#DEFINITION	Reference Metabolome for Dioscorea bulbifera
#IDENTTFIER	RefMeta-Dioscorea bulbifera.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Dioscorea bulbifera
#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 Dioscorea bulbifera was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	15.7
71.67835	3.4
73.02905	5.1
79.05477	75.5
81.03411	20.5
81.07040	76.7
83.04967	11.0
83.08591	9.2
85.02898	16.7
91.03923	2.5
91.05463	48.4
93.07027	68.6
95.04948	19.0
95.08588	53.6
97.02847	11.0
97.06514	67.5
97.10163	4.7
99.04436	6.0
99.08090	7.1
101.02333	2.3
103.05446	2.5
105.07009	36.7
107.04936	7.7
107.08580	39.7
109.02849	4.7
109.06503	17.7
109.10149	21.3
111.08065	6.0
113.05972	2.3
115.05444	3.8
115.07542	23.0
117.06991	17.4
119.08563	31.6
121.06493	6.7
121.10115	26.1
123.08065	6.3
123.11675	7.5
125.08382	2.1
127.03904	6.6
127.07530	3.6
128.06195	3.3
129.05489	3.0
129.06995	7.6
131.08528	27.3
133.06480	2.4
133.10092	22.6
135.08061	8.6
135.11688	17.4
141.06952	2.5
143.08553	10.5
145.10101	16.4
147.08002	6.8
147.11691	9.7
149.09618	8.4
149.13179	11.5
151.11183	6.5
155.08487	3.9
157.10146	10.0
159.08009	4.5
159.11685	14.9
161.09586	8.1
161.13220	6.7
163.11148	3.8
167.08620	2.2
169.10049	2.9
171.11697	5.8
173.04364	6.0
173.09631	2.1
173.11884	2.8
173.13261	6.9
175.11127	3.2
175.14828	2.7
177.12723	5.8
184.07297	3.5
185.13281	5.3
187.11191	3.3
187.14795	4.0
189.11206	2.4
195.13710	3.7
197.13303	3.7
201.07625	2.6
203.14185	2.7
217.15813	10.8
227.17900	2.8
243.21001	3.6
245.19081	4.4
253.14397	3.4
259.20505	3.6
261.22064	14.0
269.17401	15.7
273.18439	35.1
291.19614	16.5
307.18909	2.7
309.20822	2.5
311.69125	2.3
317.24716	3.0
335.25735	100.0
336.26074	3.0
347.22150	13.4
349.23856	2.1
365.23093	15.0
391.28235	2.9
435.22791	2.2
515.37140	5.6
529.38739	38.4
557.38165	3.5
567.40436	4.5
585.41125	4.1
607.43073	11.7
624.37280	2.4
625.44647	32.3
643.45538	11.1
787.50208	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	1002.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04990	7.1
71.69738	4.8
75.01656	2.7
77.03921	3.1
79.05481	83.9
81.03400	13.7
81.07045	92.6
81.39698	3.0
83.04955	9.4
83.08607	21.4
85.02897	9.0
85.06596	3.8
86.09692	5.1
87.16979	2.5
91.03947	7.4
91.05461	100.0
93.07025	91.3
93.07484	2.0
95.04964	14.3
95.08590	55.7
96.55255	2.8
97.02882	10.5
97.06499	18.8
97.10152	7.6
105.07009	79.2
107.03020	3.3
107.04949	14.0
107.08578	60.7
109.02864	5.3
109.06535	7.6
109.10133	26.5
111.08022	5.9
115.05418	4.4
117.06999	37.3
119.08567	68.8
121.06496	5.5
121.10110	29.6
123.08083	5.9
123.11709	4.7
125.00008	4.3
125.09597	8.6
127.03909	4.9
128.06177	7.7
129.06975	20.9
130.07736	5.0
131.08554	40.9
133.06494	5.5
133.10106	64.9
135.08003	4.9
135.11678	22.3
137.09608	6.1
139.03735	3.5
141.06987	10.9
142.07738	4.9
142.73051	2.8
143.08521	24.4
145.06476	3.1
145.10101	37.2
147.08052	6.1
147.11662	37.7
149.09608	10.1
149.13237	12.7
155.08539	13.5
156.09218	3.8
157.10094	20.7
159.11662	27.1
160.12224	3.1
161.13231	19.1
162.83923	3.1
163.11092	6.1
167.08528	7.0
169.10120	12.5
171.11679	19.7
173.13211	17.2
175.14798	7.3
177.12732	4.7
179.08455	3.6
179.14349	4.5
181.10088	7.3
183.11688	11.4
184.07332	10.6
185.13272	14.8
187.14859	6.7
191.08849	3.3
193.87378	3.4
195.11739	7.1
197.13242	13.3
199.14810	9.3
201.16405	3.9
207.11694	3.4
209.13211	5.2
211.14764	4.6
213.16350	7.2
221.13220	4.0
223.14775	3.9
225.16315	5.1
227.12596	4.9
229.14427	5.4
235.14806	3.2
241.19548	17.8
255.15991	6.3
257.18951	7.9
259.20514	38.1
269.17358	14.2
275.20160	15.9
315.23114	6.2
333.24210	40.4
335.25714	9.3
344.25659	4.0
349.23962	14.0
401.47662	3.5
421.30768	5.4
432.37955	4.1
435.32349	7.0
501.35416	3.6
513.35620	23.3
515.38379	4.3
527.37366	37.8
531.36536	4.5
533.39880	3.7
545.38184	5.1
546.73706	3.2
551.40326	3.4
607.43365	35.8
625.44464	39.9
671.40796	3.2
1002.62115	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	1004.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	1.1
70.42519	2.3
71.01339	2.0
71.04981	79.5
73.02906	3.6
73.68481	0.6
75.04466	3.9
75.48083	0.6
79.05486	2.0
81.03403	2.3
81.07054	3.5
83.04966	80.8
85.02891	100.0
85.06528	1.2
86.03218	0.7
87.00813	36.6
87.04451	10.3
91.05447	3.0
93.07036	3.7
95.04962	4.4
95.08581	2.7
97.02872	2.7
97.06523	1.6
98.21368	0.8
99.04441	6.2
101.06015	3.7
105.01853	15.1
105.07010	4.5
107.04949	1.3
107.08549	3.0
109.02856	2.0
109.06555	0.7
109.10143	3.5
111.00793	2.4
111.04423	82.6
112.04712	0.7
113.02351	0.7
113.05982	1.7
117.07021	1.3
117.92002	0.5
119.08557	3.7
121.06519	1.7
121.10113	4.7
123.04425	1.5
123.08103	0.7
123.98972	0.6
125.05997	0.7
127.03902	5.3
129.05458	64.6
130.05748	0.7
131.08546	3.5
133.10107	5.4
135.04416	1.0
135.11639	1.4
137.05925	1.3
137.09604	0.6
139.03929	0.8
142.07738	0.6
143.03383	1.8
143.08511	3.5
145.04901	1.6
145.10106	5.3
146.08130	1.4
147.06505	4.1
147.11659	9.6
149.13258	1.3
151.03825	1.0
151.07500	1.0
153.05428	9.6
155.03363	1.7
155.08521	1.0
157.04945	6.5
157.10091	8.1
159.11693	7.1
161.04427	0.6
161.13297	3.1
163.03845	0.7
163.05984	1.6
164.09186	1.8
165.09135	0.8
167.07086	1.1
169.10165	1.1
171.06505	2.7
171.11626	3.6
173.04454	0.8
173.13251	2.5
175.05959	0.9
175.11087	1.5
177.05513	1.2
183.11620	1.2
185.13200	1.5
193.08403	0.8
195.06517	1.6
197.04401	1.7
197.13272	3.3
199.14867	1.2
211.14771	2.3
213.07576	1.5
213.16260	1.2
215.05463	78.1
216.05820	1.2
220.15375	0.6
221.08011	1.4
225.16338	1.3
231.04944	2.8
233.06526	57.8
233.50282	0.6
234.06883	0.9
237.07582	1.2
237.16309	0.7
238.17059	0.8
239.09097	14.7
239.17784	0.8
247.95879	0.6
251.17932	1.0
253.19485	30.0
254.19931	1.3
255.08575	2.4
255.20963	3.4
257.07153	0.7
257.10168	6.3
271.20511	28.3
272.20737	1.3
273.09756	2.6
275.07507	0.5
275.11252	1.3
281.22543	2.2
283.24091	1.1
292.98038	0.6
309.11758	1.1
309.22061	1.3
317.08359	0.7
317.12109	0.6
325.09006	2.0
327.23129	10.9
343.10205	6.9
345.20203	0.9
345.24170	11.4
359.09570	1.2
359.25580	0.8
361.11313	6.1
375.26682	1.0
377.10651	2.2
379.12128	2.2
393.27682	2.5
411.28864	13.7
412.29382	1.0
429.29971	19.4
430.30475	1.0
447.30994	1.0
469.19308	0.5
505.15088	1.4
593.38428	0.7
619.40143	0.6
650.46619	0.7
899.36792	0.6
969.45532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03758	0.7
70.06580	0.9
71.01341	7.3
71.04983	42.2
71.70350	1.1
73.02927	2.9
75.04470	2.6
79.05466	3.4
81.03407	3.7
81.07047	5.3
83.04968	84.8
83.08655	0.6
84.05293	0.7
85.02892	62.2
85.06538	1.3
86.03197	0.8
87.00815	27.2
87.04442	7.9
91.05466	3.8
93.07027	4.5
95.04956	13.5
95.08596	2.7
97.02885	5.6
97.06495	3.4
99.04435	10.1
101.06003	3.8
105.01852	25.2
105.07016	6.2
107.04933	2.1
107.08585	5.0
109.02863	3.2
109.06522	2.4
109.10149	5.0
111.04426	100.0
112.04816	0.5
113.05989	6.2
117.05458	1.2
117.07014	2.1
119.08559	6.2
121.06484	2.9
121.10128	6.7
123.04441	2.2
123.08058	1.1
125.06010	2.8
127.03897	8.1
129.05458	89.9
130.05829	0.7
131.08525	4.5
133.06477	0.7
133.10115	6.8
135.04393	2.0
135.11659	2.2
137.02309	1.4
137.05971	2.4
137.09563	0.8
139.03891	2.3
139.07463	0.8
141.05452	1.8
141.07043	0.9
142.07758	0.8
143.08554	5.4
144.82159	0.6
145.04970	2.7
145.10106	8.5
146.08156	1.2
147.06511	8.3
147.07722	1.1
147.11668	14.5
149.05963	3.4
149.09631	0.6
149.13213	2.6
149.24008	0.6
151.03871	1.6
151.07487	1.8
151.11127	1.1
153.05446	27.6
155.03421	0.6
155.08562	1.4
157.04953	7.2
157.10101	12.5
159.06509	1.9
159.11674	11.6
161.05914	0.7
161.13235	4.6
163.06076	1.0
163.11180	0.7
164.09167	2.3
165.05447	1.8
165.09074	0.8
167.07086	1.7
169.04828	0.7
169.10072	1.3
171.06453	2.9
171.11687	3.7
173.04387	2.7
173.13234	4.6
175.06079	1.2
175.07515	1.4
175.11162	2.3
175.14784	1.5
177.05396	0.6
179.07008	2.1
179.10629	1.3
183.06529	1.7
183.11699	2.2
185.08035	0.8
185.13208	2.2
187.14783	1.3
193.08572	2.8
195.06477	3.6
195.11725	1.2
197.13206	3.8
199.14754	2.1
203.05447	2.1
211.14850	3.1
213.07552	8.7
213.16370	1.4
215.05458	6.0
221.08049	4.0
221.43752	0.6
223.14854	0.8
224.15508	1.0
225.16339	2.0
231.04718	0.6
231.13756	1.0
233.06525	39.8
237.07472	2.9
238.17178	0.7
239.09113	29.4
239.17911	0.6
249.06097	2.8
249.16467	0.8
251.17911	1.9
253.19487	48.9
254.19920	2.9
255.08601	4.7
255.21033	7.0
257.10172	23.6
271.20523	41.8
272.20825	1.6
273.09616	5.1
275.07675	1.4
275.11142	2.0
281.22601	2.6
281.35687	0.7
283.24109	0.7
287.07608	2.5
293.82098	0.6
309.11526	1.5
309.22055	1.3
317.08746	1.0
323.23782	1.0
325.09137	1.5
327.23126	15.1
343.10190	9.2
345.24222	16.8
345.28375	0.9
359.25723	1.5
361.11237	36.8
362.11612	0.8
365.12570	0.7
375.26776	1.2
379.12296	6.9
393.27805	3.1
401.14136	1.0
411.28882	23.8
429.29965	36.9
430.30301	1.3
433.25665	1.6
447.31189	2.8
539.33429	0.7
591.34680	1.9
636.15100	0.6
665.19702	0.6
823.40314	2.1
843.08881	0.6
853.47430	0.7
969.45941	1.2
1004.84424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	8.9
71.70496	2.1
72.51299	1.8
73.02905	3.6
79.05479	69.7
81.03403	15.9
81.07039	100.0
82.07352	2.2
83.04959	16.8
83.08607	17.5
85.02883	14.0
85.06514	4.9
86.09706	4.5
91.05459	61.5
93.07026	76.8
95.04962	18.5
95.08583	40.7
97.02876	8.4
97.06516	19.4
97.10140	14.7
99.08090	4.5
103.05452	4.4
105.07011	57.0
107.04931	14.1
107.08573	49.8
109.02855	3.6
109.06501	8.3
109.10136	19.2
111.04384	3.6
111.08064	6.4
115.05431	4.0
117.07001	23.6
119.08549	35.7
121.06490	12.5
121.10127	25.6
123.08066	5.5
123.11684	7.7
124.99976	4.0
125.09612	15.2
127.03884	6.2
127.07523	1.9
128.06218	3.6
129.06955	10.2
131.08543	31.3
133.06499	5.1
133.10100	35.4
135.08029	8.7
135.11679	21.5
137.09630	4.3
139.03885	2.1
139.07605	1.9
139.11113	2.0
141.07008	4.9
142.07692	2.2
143.08546	9.5
145.04951	3.7
145.06441	2.5
145.10089	29.3
147.08051	2.7
147.11682	17.6
149.09570	19.9
149.13228	19.9
151.11147	3.0
155.08540	6.4
157.10121	8.7
159.08044	2.4
159.11665	22.4
161.09615	2.9
161.13211	8.4
163.11148	13.3
165.12741	2.4
167.08533	2.1
169.10097	9.1
171.07938	3.0
171.11685	6.8
173.04465	2.9
173.09608	2.0
173.13214	7.9
175.11177	2.6
177.12769	6.7
179.14291	3.0
181.10117	1.8
183.11679	4.1
184.07327	12.2
184.08842	1.9
185.13293	3.3
187.11192	2.4
187.14973	2.2
189.11208	7.1
189.16377	1.9
191.14401	2.1
195.11723	2.7
195.13780	7.3
197.13216	5.3
199.14809	4.0
201.12701	2.3
213.16461	2.2
215.14336	2.1
227.12708	22.3
229.14236	3.4
229.19493	3.2
239.17886	6.1
247.20590	4.7
248.15213	1.8
255.15854	13.8
257.18979	14.1
267.15854	6.6
269.17435	58.3
273.18631	2.0
275.20013	61.5
276.20425	4.1
293.21014	5.5
312.06754	1.9
331.22565	5.8
339.23328	2.2
349.23651	63.2
353.24615	2.3
367.24686	7.9
390.36722	1.8
400.53525	2.1
413.21713	4.2
423.27402	4.3
431.27612	3.2
433.30490	5.0
435.27243	2.6
439.26682	2.6
445.29309	3.5
447.31085	2.7
449.28937	27.0
451.31998	2.3
463.30545	45.6
503.33850	3.2
511.33658	2.8
519.33075	2.0
525.35498	10.1
529.35211	15.7
543.36719	78.7
544.36682	6.6
547.36090	2.2
561.37909	13.1
607.34680	6.0
623.42792	15.8
641.44043	9.4
687.40259	4.3
705.41559	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	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	8.9
71.70496	2.1
72.51299	1.8
73.02905	3.6
79.05479	69.7
81.03403	15.9
81.07039	100.0
82.07352	2.2
83.04959	16.8
83.08607	17.5
85.02883	14.0
85.06514	4.9
86.09706	4.5
91.05459	61.5
93.07026	76.8
95.04962	18.5
95.08583	40.7
97.02876	8.4
97.06516	19.4
97.10140	14.7
99.08090	4.5
103.05452	4.4
105.07011	57.0
107.04931	14.1
107.08573	49.8
109.02855	3.6
109.06501	8.3
109.10136	19.2
111.04384	3.6
111.08064	6.4
115.05431	4.0
117.07001	23.6
119.08549	35.7
121.06490	12.5
121.10127	25.6
123.08066	5.5
123.11684	7.7
124.99976	4.0
125.09612	15.2
127.03884	6.2
127.07523	1.9
128.06218	3.6
129.06955	10.2
131.08543	31.3
133.06499	5.1
133.10100	35.4
135.08029	8.7
135.11679	21.5
137.09630	4.3
139.03885	2.1
139.07605	1.9
139.11113	2.0
141.07008	4.9
142.07692	2.2
143.08546	9.5
145.04951	3.7
145.06441	2.5
145.10089	29.3
147.08051	2.7
147.11682	17.6
149.09570	19.9
149.13228	19.9
151.11147	3.0
155.08540	6.4
157.10121	8.7
159.08044	2.4
159.11665	22.4
161.09615	2.9
161.13211	8.4
163.11148	13.3
165.12741	2.4
167.08533	2.1
169.10097	9.1
171.07938	3.0
171.11685	6.8
173.04465	2.9
173.09608	2.0
173.13214	7.9
175.11177	2.6
177.12769	6.7
179.14291	3.0
181.10117	1.8
183.11679	4.1
184.07327	12.2
184.08842	1.9
185.13293	3.3
187.11192	2.4
187.14973	2.2
189.11208	7.1
189.16377	1.9
191.14401	2.1
195.11723	2.7
195.13780	7.3
197.13216	5.3
199.14809	4.0
201.12701	2.3
213.16461	2.2
215.14336	2.1
227.12708	22.3
229.14236	3.4
229.19493	3.2
239.17886	6.1
247.20590	4.7
248.15213	1.8
255.15854	13.8
257.18979	14.1
267.15854	6.6
269.17435	58.3
273.18631	2.0
275.20013	61.5
276.20425	4.1
293.21014	5.5
312.06754	1.9
331.22565	5.8
339.23328	2.2
349.23651	63.2
353.24615	2.3
367.24686	7.9
390.36722	1.8
400.53525	2.1
413.21713	4.2
423.27402	4.3
431.27612	3.2
433.30490	5.0
435.27243	2.6
439.26682	2.6
445.29309	3.5
447.31085	2.7
449.28937	27.0
451.31998	2.3
463.30545	45.6
503.33850	3.2
511.33658	2.8
519.33075	2.0
525.35498	10.1
529.35211	15.7
543.36719	78.7
544.36682	6.6
547.36090	2.2
561.37909	13.1
607.34680	6.0
623.42792	15.8
641.44043	9.4
687.40259	4.3
705.41559	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	102.9686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37109	2.7
53.03921	5.0
55.01851	4.1
56.96555	74.4
60.95161	3.6
60.95844	100.0
61.95190	13.1
63.28134	3.4
68.31693	3.0
70.48569	14.1
75.94527	17.8
81.03415	10.1
88.51573	5.1
96.95612	3.1
97.52071	8.8
100.02467	7.9
102.96869	18.4
109.02848	15.0
110.01252	3.0
118.01012	3.4
118.03508	8.6
120.97894	31.3
121.01664	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	102.9686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37109	2.7
53.03921	5.0
55.01851	4.1
56.96555	74.4
60.95161	3.6
60.95844	100.0
61.95190	13.1
63.28134	3.4
68.31693	3.0
70.48569	14.1
75.94527	17.8
81.03415	10.1
88.51573	5.1
96.95612	3.1
97.52071	8.8
100.02467	7.9
102.96869	18.4
109.02848	15.0
110.01252	3.0
118.01012	3.4
118.03508	8.6
120.97894	31.3
121.01664	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.6
51.75636	0.8
53.03938	28.5
55.01864	1.8
56.05033	4.4
56.96562	4.0
57.03421	2.1
57.04536	1.1
57.05364	5.7
58.02940	1.1
58.06589	6.8
59.05881	0.7
59.06122	8.8
60.04504	3.7
60.08149	7.9
60.95830	2.8
62.06078	13.1
67.53903	0.7
68.05004	1.0
70.85056	0.6
71.68272	1.1
72.04494	0.9
73.07664	2.4
74.06010	0.7
75.05585	3.0
77.03914	6.2
77.97549	0.6
78.15919	0.6
81.03397	3.0
85.02892	3.3
85.07654	3.1
86.06062	9.7
86.09645	0.8
87.04463	1.8
94.46305	0.6
95.04951	49.9
102.04655	5.2
103.04009	4.7
103.05450	100.0
103.08685	22.6
103.57575	0.6
104.05795	2.2
104.10081	1.2
104.10723	15.4
105.04494	10.5
109.02889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70063	1.1
77.03916	1.6
79.05482	25.3
81.03400	2.2
81.06602	2.1
81.07047	30.8
83.04968	1.4
83.08601	3.9
85.02885	1.5
85.06526	2.3
91.05459	19.7
93.07030	24.9
93.07587	2.4
95.04961	6.3
95.08586	28.8
97.02850	1.1
97.06491	2.5
97.10145	3.4
105.07017	14.9
107.04946	2.6
107.08570	13.5
109.06514	1.5
109.10130	10.6
111.04425	1.4
111.08076	1.7
117.07027	6.5
119.04894	1.4
119.08560	12.9
121.02908	1.1
121.06506	2.1
121.09396	1.3
121.10130	8.7
123.04408	51.7
123.08071	2.5
123.11670	1.7
125.09633	1.6
127.03924	1.2
129.06996	2.5
131.04912	1.6
131.08517	7.5
133.06448	1.8
133.10120	11.7
135.04387	2.8
135.11694	5.6
137.02322	1.7
137.05962	2.2
139.03882	31.4
143.08505	2.9
145.06483	2.1
145.10089	6.2
147.04364	7.4
147.11697	6.6
148.05186	1.5
149.05920	2.4
149.13231	5.0
151.03877	5.2
151.07489	1.4
153.05452	4.1
157.10178	1.6
157.89662	1.3
159.04459	2.1
159.11720	4.7
161.05952	3.5
161.13200	3.3
163.03883	17.7
165.05428	6.4
169.10133	1.5
171.04382	2.6
171.08130	1.4
173.05991	2.5
173.13210	2.2
175.03871	22.5
175.07520	3.9
175.14771	2.4
176.04654	17.7
177.05437	26.2
179.07060	1.8
183.08081	2.3
185.06017	2.7
185.13228	1.5
187.03874	11.0
187.07573	2.0
187.14761	1.3
188.04659	1.6
189.05447	13.2
191.03421	1.4
191.07010	13.4
193.05014	2.0
197.05922	1.9
199.03909	3.4
200.04668	11.9
201.05434	18.1
203.03372	2.0
203.06996	10.0
205.04945	7.2
211.07603	1.4
213.05446	5.8
213.09082	1.3
214.06200	2.7
215.03470	1.3
215.07014	4.5
217.04948	4.4
219.06422	3.9
227.07007	5.2
228.04161	2.1
229.04935	3.3
229.08517	2.4
231.06445	1.2
235.07526	1.5
237.05470	1.2
241.08548	1.8
241.12289	1.5
241.19508	1.4
243.10188	2.1
251.07054	1.8
252.07809	2.3
253.12415	1.4
255.10272	1.9
255.13667	2.0
259.13324	1.5
259.20483	3.7
261.22174	3.9
263.06985	4.5
265.08234	1.3
269.11746	2.4
271.13248	2.4
273.14691	7.0
273.22064	2.1
277.21552	1.3
279.06497	11.0
279.09314	1.4
280.07242	3.4
283.05933	1.5
283.13266	6.9
285.14859	3.6
289.14401	1.8
291.06454	1.8
295.06094	1.3
295.12891	2.3
297.14911	1.7
299.12750	5.5
301.09146	2.5
301.14258	28.9
302.14548	1.6
303.16040	3.8
307.06000	2.5
307.09402	1.3
308.06766	31.0
309.07477	14.5
311.12619	4.0
311.16116	1.8
313.14264	16.0
315.15826	2.0
317.13785	7.8
321.14844	1.6
323.09030	4.5
323.12589	2.1
325.14380	3.0
327.08438	1.6
329.13800	15.6
331.15308	22.1
333.07510	3.6
333.24173	5.7
335.09119	1.7
335.25742	67.3
336.26074	2.7
339.15939	2.1
341.13766	23.4
341.17682	2.0
343.15594	2.0
345.09644	1.5
347.14850	4.7
347.25864	1.5
353.13913	3.3
355.15433	4.2
369.17191	1.8
383.18463	1.4
385.16479	5.9
391.17529	1.6
397.16501	2.2
403.17249	6.2
405.18829	2.1
421.16714	1.5
423.21066	2.0
433.16290	1.5
435.18094	3.6
437.16278	1.6
445.16370	5.4
461.15991	2.8
463.17462	52.0
464.18060	1.6
479.16769	2.5
479.24326	1.5
481.18784	9.8
501.18808	2.0
519.19910	5.2
535.19287	1.8
537.21228	24.6
537.28802	1.3
538.20929	1.3
553.20605	2.0
555.22028	3.7
573.23010	2.2
589.35370	6.7
607.35889	4.6
619.36047	1.5
645.37805	4.0
663.38831	94.9
664.39093	4.7
675.38275	4.7
681.39838	100.0
682.39941	5.2
687.38562	4.5
693.39209	3.1
705.39294	5.2
723.38593	2.2
747.41467	2.5
771.40283	1.8
789.41772	2.3
797.42383	58.2
798.43170	3.2
815.43451	53.5
816.43610	4.2
825.43610	2.1
833.44189	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	1031.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70355	0.1
72.05297	0.3
73.02508	0.2
73.02897	3.0
73.06537	2.9
74.09705	0.2
75.04459	3.8
77.03905	0.3
77.59983	0.1
79.05471	4.2
81.03398	5.1
81.07035	6.4
83.01310	0.4
83.04959	11.2
83.08605	0.4
85.02882	100.0
85.06458	0.4
86.03203	0.6
86.06040	0.3
87.04442	3.3
87.04979	0.2
91.03941	0.7
91.05454	5.2
93.07020	4.7
95.04942	3.2
95.08579	3.2
97.02864	8.5
97.06500	5.3
97.10154	0.2
98.01387	0.1
99.04429	3.1
99.08065	0.5
101.02349	0.3
101.05989	0.9
103.03930	0.8
103.05443	0.3
105.04491	0.2
105.07002	6.4
106.07264	0.1
107.04928	1.4
107.08563	4.4
108.08081	0.1
109.02855	3.3
109.06489	14.6
109.10126	6.4
110.06807	0.1
110.09700	0.1
111.04414	10.3
111.11684	0.1
112.04733	0.2
113.02354	0.2
113.05987	0.9
113.09661	0.1
115.03900	0.4
115.05402	0.6
115.07541	10.6
116.06187	0.1
117.05467	1.4
117.06973	2.2
119.08549	3.4
121.06480	0.7
121.10110	5.7
123.04417	0.4
123.08073	0.4
123.11678	1.2
125.05936	0.5
125.09587	0.8
127.03884	6.8
127.07508	0.2
127.11178	1.1
128.06172	1.1
129.05446	38.3
129.06830	2.6
130.05765	0.4
130.07773	0.5
131.08531	5.5
132.08917	0.1
133.06441	0.2
133.10092	7.2
134.10468	0.1
135.04382	0.3
135.08061	0.2
135.11665	1.7
136.07524	0.1
137.05923	0.6
137.09598	0.2
139.03854	0.4
139.07571	0.1
141.05446	0.4
141.06935	1.1
141.09132	0.1
142.07744	3.4
143.08531	4.4
144.09329	0.4
145.04924	4.6
145.10088	5.4
145.12006	0.7
147.06487	15.7
147.11642	9.5
148.06815	0.1
148.11984	0.2
149.05943	0.4
149.09558	0.6
149.13216	2.2
151.03842	0.4
151.07509	0.5
151.11145	0.4
153.05424	2.0
154.07712	0.1
155.08502	1.6
156.09312	0.3
157.04947	0.8
157.10089	17.1
158.10474	0.3
159.06500	0.8
159.07941	0.2
159.11656	7.4
160.12085	0.2
161.05969	0.1
161.09595	0.3
161.13210	2.2
163.03906	0.2
163.05984	3.3
163.07291	0.2
163.11134	0.5
163.14803	0.2
165.05452	0.2
165.07550	0.5
165.09117	0.3
167.07028	0.2
167.10638	10.0
168.09265	0.2
168.10857	0.1
169.04904	0.6
169.10072	1.3
169.12219	0.4
171.06503	1.8
171.11641	3.9
173.04491	0.1
173.13211	2.7
175.06006	0.5
175.07542	0.2
175.11165	0.7
175.14764	0.5
177.05534	0.2
177.09053	0.1
177.12747	0.2
179.06979	0.2
179.10628	0.2
181.04855	0.2
181.10112	0.3
181.12148	0.5
182.10852	0.3
183.06445	0.6
183.11644	1.9
184.12411	0.1
185.13208	1.8
186.13957	0.2
187.06001	0.1
187.14796	0.6
189.07524	0.7
189.16286	0.1
191.06960	0.1
191.14249	0.1
193.04866	0.1
193.08560	0.5
195.06584	0.5
195.11652	0.5
196.12450	0.3
197.11787	0.1
197.13211	2.9
198.13971	0.3
199.05945	0.3
199.14760	0.8
201.07547	1.0
201.12762	0.1
201.16405	0.4
203.17755	0.1
205.07007	0.2
207.06537	0.2
209.08101	0.2
209.11620	0.2
209.13284	0.5
210.14003	0.1
211.06023	0.2
211.09584	0.3
211.14758	2.1
212.15517	0.3
213.07492	1.3
213.16293	0.6
215.09175	0.1
215.17989	0.3
217.06958	0.2
219.06491	0.1
221.08145	0.3
223.14806	0.4
224.15509	0.8
225.07565	0.5
225.16287	1.1
227.09200	0.1
227.17897	0.3
229.07008	0.2
229.19424	0.4
231.08545	0.9
235.14929	0.2
237.07545	0.8
237.16365	0.2
238.17133	0.7
239.09077	6.1
239.17862	0.2
241.10802	0.1
241.19563	0.1
243.08600	0.2
249.16220	0.1
251.12827	0.2
251.17896	1.3
253.19452	40.5
254.19806	1.1
255.08592	2.4
255.21008	2.9
257.10144	3.7
263.17914	0.1
265.19434	0.2
269.13837	0.6
269.18842	0.5
271.20493	25.5
272.20795	0.5
273.09631	2.8
273.22098	0.3
275.11172	4.0
276.11685	0.1
277.19498	0.1
279.20856	0.1
281.22662	0.3
283.24121	3.3
287.14935	0.2
291.10696	0.9
293.12225	6.1
295.20752	0.2
297.12369	0.1
299.23602	0.1
301.25308	0.1
309.11731	3.4
313.21603	0.2
361.28848	0.2
363.23215	0.2
379.22562	0.1
379.29858	2.1
381.24228	0.2
395.29395	0.2
397.30905	5.1
398.31409	0.1
399.25208	0.6
401.14185	0.2
413.30453	0.3
415.31973	12.2
416.32419	0.4
417.26309	0.4
433.25650	0.6
439.32053	0.1
455.17642	0.1
507.34372	0.1
523.33954	0.2
525.35638	0.2
541.35052	0.4
543.36487	0.2
559.36108	0.3
561.37921	0.3
577.37244	1.0
579.31531	1.1
723.42816	1.3
725.37207	3.9
726.37628	0.1
836.41589	0.1
849.45715	0.2
851.47363	0.2
865.45770	0.1
867.47247	0.2
869.48700	13.7
870.48718	0.6
881.48877	0.1
895.87030	0.1
977.49939	0.1
995.52930	0.6
1031.53931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.473
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	1.7
75.04465	0.9
79.05479	5.2
81.03403	4.4
81.07042	6.4
83.04967	23.5
83.08594	0.8
85.02891	36.6
85.06525	7.2
86.09702	0.4
87.00813	14.3
87.04448	2.8
91.05463	7.4
93.03390	0.3
93.07028	8.4
95.04956	4.4
95.08591	4.0
97.02872	4.3
97.06529	0.9
97.10138	0.3
99.04449	4.5
99.97330	0.2
101.02394	0.3
101.06005	1.4
103.03907	1.0
103.05451	0.5
105.01848	14.3
105.07013	10.1
105.07719	0.5
107.04943	0.7
107.08572	5.2
109.02864	6.6
109.06519	1.0
109.10140	5.7
110.07145	0.4
110.24051	0.2
111.04424	35.3
111.08049	0.4
112.04788	0.5
113.02393	0.3
113.05988	1.9
115.03882	0.5
115.05450	1.1
117.05611	0.3
117.06983	3.5
119.08555	5.5
121.06470	0.8
121.10121	9.0
123.04413	0.8
123.11699	0.8
125.02333	0.4
125.05969	1.0
125.09605	1.2
127.03893	12.0
128.06210	2.7
129.01807	1.3
129.05460	43.2
129.06879	4.9
130.07788	0.7
131.08540	6.6
133.06494	0.2
133.10109	8.3
135.04350	0.8
135.07990	0.3
135.11676	1.6
137.02345	0.3
137.05930	0.4
139.03876	1.1
141.05415	0.4
141.06989	2.1
141.09074	2.7
142.07767	4.2
143.08543	9.5
143.10724	0.4
144.09315	0.7
145.04944	3.2
145.06161	0.3
145.10103	9.8
147.02829	0.8
147.06480	1.8
147.11662	17.1
148.12004	0.3
149.05991	0.8
149.09570	0.5
149.13271	1.3
151.03909	0.6
153.05446	3.6
153.06888	0.5
154.07722	0.3
155.08534	3.4
156.09239	0.6
157.04987	1.4
157.10106	19.5
158.10612	0.4
159.02884	1.2
159.06543	0.6
159.08006	0.3
159.11670	12.0
160.12085	0.3
161.13234	1.7
163.06023	0.3
163.11171	0.4
163.14900	0.3
165.05432	0.6
165.06911	0.3
165.09132	0.4
167.08568	0.6
167.10420	0.3
168.09309	0.4
169.10098	3.0
171.02844	0.3
171.06483	1.3
171.11664	8.5
173.04442	1.8
173.13226	3.6
175.14821	0.5
177.05388	0.6
179.07068	0.4
181.04880	0.3
181.10123	0.9
181.12216	0.4
182.10841	0.8
183.06441	0.4
183.11673	3.8
184.12383	0.6
185.13239	3.3
186.13983	0.4
187.14807	0.7
189.03909	2.3
193.10068	0.4
195.06516	1.2
195.11632	1.1
196.12389	0.7
197.13217	6.2
198.13986	0.6
199.14806	1.5
203.05316	0.4
209.13141	1.4
210.14005	0.5
211.14795	4.0
212.15581	0.4
213.03911	3.9
213.07527	1.1
213.16452	0.4
215.05428	2.4
215.17833	0.4
219.06438	0.5
221.08060	0.7
221.13391	0.3
223.14833	1.4
224.15585	1.5
225.16344	1.9
227.17934	0.4
229.06989	0.2
229.19200	0.5
231.04979	4.2
231.08566	0.4
233.06520	12.9
235.35419	0.3
237.07574	2.6
237.16412	0.5
238.17110	1.8
239.09114	3.8
239.17912	0.4
249.06021	2.6
249.16292	0.6
251.17903	5.5
253.19476	100.0
254.19856	2.1
255.08676	1.5
255.21036	2.2
257.10175	2.2
263.17905	0.4
265.19501	0.7
267.21185	0.3
269.18954	1.1
271.20529	5.1
273.06067	0.9
275.07565	0.8
277.05591	0.3
277.19427	0.3
279.20935	0.5
281.22522	1.4
283.20807	0.4
291.20935	0.3
295.20258	0.4
299.07687	0.3
313.21527	0.4
314.05466	0.3
315.10562	1.4
323.07593	1.1
325.08829	0.3
341.08688	2.3
343.10150	1.2
345.22021	0.3
359.09647	2.5
361.11221	3.9
363.23041	0.7
377.10559	1.3
377.28302	2.0
381.24170	0.7
395.29413	5.8
399.25314	1.8
413.30505	0.6
427.08597	0.4
445.09677	0.8
463.10654	0.7
465.22629	0.4
467.24408	0.5
483.23782	0.3
485.25183	2.6
501.24542	0.5
517.24219	0.6
519.25885	2.1
523.34119	0.3
678.85602	0.3
782.26160	0.3
798.66760	0.3
897.36414	0.6
1039.46350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
72.67703	0.2
73.02907	1.5
73.36661	0.3
75.04475	2.2
75.54655	0.2
79.05015	0.4
79.05479	7.6
81.03407	5.0
81.07043	11.0
83.04967	34.7
83.08599	0.9
84.05286	0.3
85.02891	56.4
85.06528	3.7
87.00813	20.8
87.04448	4.3
91.05463	11.3
93.07030	10.4
95.04951	12.0
95.05571	0.5
95.08588	5.5
97.02873	4.9
97.06507	0.4
99.04436	4.5
101.05991	2.4
103.03924	1.3
103.05468	0.6
105.01851	24.0
105.07011	16.5
107.04927	0.5
107.08580	8.8
109.02857	6.5
109.06487	0.9
109.10143	10.7
111.04424	48.0
111.08051	0.8
112.04757	0.5
113.02371	0.5
113.05983	10.5
115.03946	0.5
115.05427	2.0
116.06225	0.7
117.05528	0.4
117.06999	5.6
119.08564	8.7
121.06466	0.8
121.10121	12.6
123.04454	0.6
123.08045	0.3
123.11664	2.2
125.02269	0.3
125.05992	0.5
125.09613	0.3
127.03893	14.0
128.06190	3.7
129.01801	1.0
129.05457	89.4
129.06856	7.6
130.05811	0.7
130.07741	0.9
131.08546	10.5
132.06520	0.3
133.10109	13.9
135.04404	0.8
135.11668	3.2
139.03899	1.0
141.06963	2.9
141.18547	0.3
142.07758	8.8
143.08534	11.8
144.09314	0.9
145.04929	4.3
145.06169	0.3
145.06552	0.3
145.10097	12.3
147.02885	1.7
147.06503	3.4
147.11659	21.4
147.30876	0.3
148.11952	0.5
149.05911	0.4
149.09602	0.8
149.13219	3.7
151.03885	0.6
153.05449	2.4
153.06599	0.4
154.07724	0.3
155.08530	4.1
156.09267	0.4
157.04948	1.2
157.10104	33.9
158.10583	0.9
159.02869	1.2
159.06549	0.4
159.11668	16.0
161.13231	3.4
163.05975	0.5
165.05527	0.6
165.07007	0.3
167.07080	0.4
167.08554	0.8
168.09332	0.7
169.04944	0.9
169.10106	3.0
170.10764	0.4
171.02817	0.4
171.06554	1.5
171.11668	9.6
172.12083	0.3
173.04459	1.9
173.13235	4.7
175.03851	0.4
175.14780	0.6
177.05428	0.7
179.07008	0.4
179.10765	0.3
181.04951	0.4
181.10107	1.1
182.10902	0.7
183.06541	0.4
183.11671	5.6
184.12416	0.4
185.13234	3.9
186.13977	0.4
187.05954	0.5
187.14822	1.0
189.03941	3.2
189.05545	0.4
189.07474	1.7
191.06956	0.5
193.04941	0.5
195.06528	1.6
195.11710	0.8
196.12483	0.9
197.04530	0.4
197.13219	6.9
198.13908	0.7
199.14766	1.7
203.05400	0.5
205.07091	0.9
209.13257	1.3
211.14801	4.9
212.15332	0.4
213.03915	5.1
213.07358	1.4
213.16257	0.7
215.05463	5.4
215.18031	0.4
219.06671	0.4
221.08076	0.5
223.14761	1.8
224.15578	1.1
225.16339	2.3
231.04984	8.7
231.08670	0.8
233.06522	35.2
234.06819	0.5
235.14706	0.5
237.07550	3.2
237.16377	0.4
238.17130	1.6
239.09140	2.5
241.10722	0.7
249.06042	4.2
249.16365	0.3
251.17950	4.5
253.19476	100.0
254.19835	2.8
255.08565	2.5
255.20973	2.3
257.07611	0.4
257.10114	2.1
259.11761	0.7
261.05954	0.4
263.18008	0.5
265.19470	0.8
269.19034	0.8
271.20520	7.8
273.06061	1.4
275.07611	1.1
277.05542	0.5
281.22458	0.7
283.24078	1.8
291.10947	0.3
291.21063	0.3
295.20432	0.6
299.07571	0.6
315.10675	2.0
317.09067	0.3
323.07709	1.0
337.25446	0.5
341.08627	3.5
343.10315	1.2
345.11588	0.4
348.27536	0.6
359.09653	4.3
359.27469	0.5
361.11285	4.6
361.15552	0.4
363.23230	0.8
365.28366	1.1
377.10748	3.3
377.28375	1.6
379.12430	0.7
381.24179	0.5
395.11978	0.7
395.29422	4.2
397.31256	0.4
399.25183	2.1
413.30576	0.6
445.09680	0.8
463.10892	0.7
467.24149	0.7
483.24014	0.4
485.25327	2.6
485.93597	0.3
487.14291	0.5
501.24792	0.6
503.25720	0.6
519.25690	2.0
589.62170	0.3
647.30957	0.4
661.36011	0.4
733.30518	0.4
751.31616	0.5
897.37469	1.1
953.46265	0.5
972.69592	0.3
995.48169	3.9
1009.46356	0.7
1021.46075	4.8
1039.47314	61.6
1040.47742	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	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	5.9
60.08154	56.9
62.18784	1.9
69.90303	12.4
73.51558	2.1
88.62057	1.8
94.40473	1.9
98.21194	6.2
104.10729	100.0
105.06984	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82509	0.1
58.06589	5.5
59.07367	1.6
60.08154	53.0
61.08490	0.5
70.82903	0.3
70.83241	0.1
70.87497	0.1
71.99714	0.1
72.49533	0.1
86.09712	0.2
103.05477	0.2
104.10726	100.0
105.06997	0.3
105.11053	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02737	0.3
58.06592	8.7
59.07368	2.2
60.08156	72.8
61.08488	0.7
62.92991	0.4
95.04929	0.4
96.14012	0.2
104.10730	100.0
104.20923	0.3
105.07028	0.4
105.11082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27791	0.2
58.06590	7.9
59.07368	2.1
59.96695	0.2
60.00287	0.2
60.08154	64.7
61.08483	0.5
62.92971	0.3
64.01893	0.6
64.99774	0.2
70.80206	0.7
71.94950	0.2
83.01892	0.2
86.09691	0.3
95.04924	0.3
104.10725	100.0
105.04525	0.3
105.06977	0.3
105.11047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	6.1
59.07370	1.8
60.08154	58.5
61.08479	0.4
66.97964	0.1
67.03832	0.1
71.22149	0.3
86.03337	0.1
86.09700	0.3
87.04468	0.3
91.05475	0.1
104.10725	100.0
105.10474	0.2
105.11058	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	3.0
75.04464	3.9
77.03905	0.2
79.05473	3.7
81.03401	5.5
81.07037	6.5
83.04962	18.4
83.08617	0.5
85.02886	100.0
85.06502	1.0
86.03210	0.8
86.06045	0.5
87.04444	3.2
91.05457	5.1
93.06429	0.2
93.07023	5.3
95.04948	9.7
95.08580	4.5
97.02871	6.9
97.06501	1.0
99.04437	4.9
101.02347	0.4
101.05997	2.8
103.03962	1.0
103.05458	0.3
105.07005	6.9
107.04942	0.5
107.08012	0.1
107.08571	4.5
109.02847	3.4
109.06511	1.3
109.10133	7.2
111.04419	14.1
111.08080	0.7
113.02343	0.3
113.05981	1.5
115.03931	0.3
115.05421	0.5
117.05472	1.6
117.06979	2.2
119.08558	4.9
121.06480	4.3
121.10118	6.9
123.04404	0.9
123.08038	1.3
123.11697	0.9
125.02322	0.3
125.05974	0.6
125.09605	0.4
127.03890	9.3
128.06172	1.3
129.05452	38.7
129.06834	2.8
130.05785	0.6
130.07748	0.4
131.08543	5.8
133.10098	7.3
134.10509	0.2
135.04370	0.6
135.08034	0.2
135.11700	1.8
137.05971	0.7
137.09598	0.5
138.09140	0.2
139.03865	0.7
139.07535	1.1
141.05447	0.4
141.06972	1.3
141.09094	1.4
142.07747	3.3
143.08527	5.2
144.09338	0.3
145.04932	4.4
145.10094	6.9
147.06494	15.5
147.11652	11.2
148.11975	0.4
149.05908	0.5
149.09624	0.8
149.13231	2.1
151.03966	0.4
151.07533	0.4
151.11171	0.3
153.05449	3.3
155.08510	2.2
156.09358	0.3
157.04971	0.9
157.08717	0.7
157.10092	19.9
158.10533	0.6
159.06534	1.0
159.11661	9.5
160.12030	0.4
161.05948	0.3
161.09494	0.3
161.13222	2.1
163.03867	0.3
163.06017	3.5
163.07465	0.5
163.11151	0.7
165.05423	0.2
165.07590	0.5
165.09090	2.5
167.07057	0.3
167.08501	0.4
167.10733	0.3
168.09322	0.3
169.04865	0.6
169.10094	2.6
171.06509	2.0
171.10194	0.3
171.11646	5.7
173.13229	3.0
173.14586	0.3
175.05984	0.5
175.11139	1.5
175.14774	0.5
177.05414	0.4
177.12695	0.3
179.07103	0.4
179.08540	0.2
179.09282	0.2
179.10616	1.6
181.04915	0.2
181.10031	0.9
182.10976	0.5
183.06514	0.6
183.11630	2.8
185.13217	2.3
187.05998	0.2
187.14781	0.7
189.07538	0.6
193.08531	0.3
193.10106	0.3
195.06516	0.6
195.11673	1.1
196.12305	0.2
197.08131	0.4
197.13214	3.9
198.13901	0.4
199.05908	0.4
199.14818	1.1
201.07504	1.4
201.16327	0.2
202.13506	0.2
205.07014	0.2
209.13335	1.1
211.06064	0.2
211.09627	0.2
211.14769	3.1
212.15459	0.4
213.07526	1.6
213.16348	1.1
215.09108	1.2
215.17886	0.4
221.08078	0.2
221.13257	0.4
223.14813	1.0
224.15550	0.8
225.07500	0.4
225.16354	2.0
227.17960	1.0
229.07010	0.3
229.19516	0.6
231.08611	0.8
235.14922	0.4
237.07523	1.1
237.16350	0.8
238.17140	0.9
239.09087	7.5
239.17896	0.6
240.09439	0.3
245.19199	0.3
249.16313	0.5
251.17902	4.3
252.18581	0.3
253.19467	43.3
254.19910	2.3
254.54462	0.2
255.08601	2.8
255.21010	2.8
256.21259	0.3
257.10147	4.2
263.17923	0.3
265.19553	0.3
267.17291	0.2
269.18860	1.2
271.20511	31.6
272.20865	1.4
273.09644	2.8
273.22284	0.2
275.11218	5.2
277.19373	0.5
279.20975	0.9
281.22546	3.0
291.10648	0.9
293.09042	0.4
293.12234	6.5
295.20465	0.3
299.23526	0.3
309.11703	2.6
311.23672	0.3
313.21582	0.3
317.22528	0.4
335.23694	0.7
353.24561	0.4
363.23001	0.3
371.25711	0.7
375.26758	2.2
381.24118	0.3
391.25940	0.4
393.27811	7.9
394.28275	0.4
399.24976	0.6
401.14221	0.4
407.95093	0.2
409.27295	0.4
411.28864	13.7
412.29245	1.2
415.24451	0.3
417.26364	0.4
429.29935	8.8
430.30328	0.5
433.25748	0.8
515.98383	0.2
539.33411	0.5
555.32568	0.6
557.34808	1.2
573.34418	1.2
579.31207	0.5
591.34924	0.4
703.39935	0.4
719.39569	1.6
725.37366	3.1
825.42084	1.1
847.43982	0.3
865.45551	12.9
866.45996	1.5
883.46948	2.1
961.49060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02899	2.6
73.06528	0.6
75.04469	3.5
78.07056	0.2
79.05473	3.4
81.03400	3.9
81.07039	5.9
83.01315	0.4
83.04964	11.2
83.08585	0.4
85.02888	100.0
85.06467	0.4
86.03207	0.7
86.06049	0.4
87.04449	3.0
91.03932	0.4
91.05463	5.1
91.99712	0.2
93.07026	4.8
95.04947	5.5
95.08583	3.4
97.02872	7.3
97.06488	1.2
98.20657	0.2
99.04433	3.1
99.08078	0.7
101.05993	0.9
103.03330	0.2
103.03954	1.0
103.05424	0.5
105.04486	0.3
105.06325	0.4
105.07009	6.4
105.18617	0.2
107.04926	0.3
107.08573	3.7
109.02848	3.5
109.06478	0.9
109.10133	6.7
111.04420	11.6
111.08023	0.2
113.02350	0.2
113.06012	1.0
115.03865	0.4
115.05427	0.7
115.07568	1.3
117.05479	1.7
117.06989	2.1
119.04926	0.3
119.08555	4.3
121.06484	0.6
121.10119	6.4
123.04407	0.8
123.08022	0.4
123.11707	0.9
125.02300	0.2
125.05962	0.5
125.09611	1.7
127.03893	6.6
128.06200	1.2
129.05452	38.0
129.06854	3.5
130.05777	0.2
130.07777	0.4
131.08543	4.9
133.06436	0.4
133.10103	7.9
135.04340	0.4
135.08061	0.2
135.11679	1.0
137.05954	0.5
137.09593	0.8
139.03882	0.5
141.05373	0.3
141.07013	1.2
142.07750	3.6
143.08540	4.4
144.09357	0.3
145.04926	4.0
145.06618	0.2
145.10095	5.7
147.06494	16.6
147.07974	1.8
147.11656	10.9
149.05954	0.6
149.09628	0.3
149.13188	1.2
151.03877	0.5
151.07486	0.2
151.11176	0.5
153.05441	2.4
153.09070	0.4
155.07373	0.3
155.08513	1.8
157.04984	0.5
157.10097	17.0
158.10504	0.4
159.06494	1.0
159.07825	0.2
159.11662	8.3
160.12076	0.3
161.09607	0.4
161.13266	1.6
163.05988	3.5
163.07333	0.3
163.11195	0.2
165.05476	0.3
165.07555	0.6
165.09077	1.2
167.08589	0.4
167.10588	0.4
168.09358	0.4
169.04919	0.7
169.10120	1.6
171.06512	1.6
171.11665	4.5
173.13211	2.4
175.06032	0.5
175.11191	1.0
175.14812	0.2
177.05420	0.3
179.07004	0.4
179.08430	0.2
181.04959	0.4
181.10068	0.4
182.10934	0.3
183.06485	0.5
183.10141	1.2
183.11690	2.7
185.13222	2.2
187.05940	0.2
187.14780	0.6
189.07553	0.8
191.06958	0.2
193.08565	0.4
194.57164	0.2
195.06509	0.7
195.11711	0.8
196.12492	0.4
197.13258	2.9
198.13855	0.4
199.05893	0.5
199.14735	1.2
201.07555	1.2
207.11720	0.2
209.13196	1.0
211.14775	2.7
213.07471	1.1
213.16312	1.1
221.08051	0.3
223.14813	1.0
224.15445	1.0
225.07535	0.4
225.11134	0.3
225.16272	1.1
231.08652	0.8
235.14940	0.3
237.07588	1.0
237.16219	0.4
238.17075	0.9
239.09094	5.9
239.17824	0.5
249.16356	0.3
251.17896	1.7
253.19469	51.3
254.19893	1.1
255.08626	2.5
255.20995	1.8
257.10150	3.7
263.17993	0.2
265.19464	0.7
267.17572	0.2
269.18927	0.5
271.20511	33.8
272.20804	1.0
273.09668	3.3
275.11218	4.6
275.14255	0.2
277.19550	0.3
279.21027	0.6
281.22607	1.9
287.05334	0.3
291.10684	1.1
293.12238	7.1
295.20538	0.3
309.11743	3.6
365.28394	0.4
377.28345	2.5
379.22382	0.2
381.24402	0.3
383.29120	0.2
395.29410	9.2
397.31192	0.2
399.25070	0.7
401.14233	0.3
401.30386	0.8
413.30450	12.8
414.30899	0.5
415.24649	0.2
415.31952	0.3
417.26355	0.5
419.14886	0.2
419.29431	0.3
431.31509	5.5
433.25909	1.2
434.26306	0.2
521.32452	0.4
539.33289	0.3
541.35608	0.3
557.34637	0.3
559.35858	0.3
575.35779	0.8
579.31427	1.4
593.36871	0.6
721.41443	0.9
725.24213	0.2
725.37292	4.5
726.37274	0.3
739.41980	0.3
855.47412	1.1
867.47180	27.2
868.47705	1.7
885.48450	1.7
891.45911	0.2
909.47937	0.3
993.49860	0.6
1011.49652	0.2
1047.54382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5241
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01137	1.1
73.02906	1.2
74.00648	5.8
74.02425	1.4
76.02214	22.2
76.03992	6.8
79.05484	16.1
80.05012	7.6
81.03406	7.9
81.05766	2.7
81.07039	18.9
82.06554	3.5
82.07328	1.1
83.04963	2.5
83.06084	7.9
83.08595	4.7
84.04485	45.9
85.01115	46.3
85.02879	3.9
85.04012	4.4
86.00634	35.8
86.99036	50.1
87.02666	2.5
88.02185	4.9
91.05457	14.5
92.01698	2.0
93.07024	16.7
95.04945	7.3
95.08585	11.9
96.04447	5.6
97.01092	12.2
97.02863	3.5
97.06504	2.8
97.10140	3.5
98.00618	5.5
98.06023	4.4
98.98989	1.2
99.01395	2.2
99.05547	3.9
100.02173	7.5
102.00082	2.5
102.03747	38.6
102.04871	1.9
102.05517	24.7
105.06974	8.1
107.04900	2.0
107.06076	1.4
107.08579	10.2
108.04442	2.3
109.05265	1.2
109.06432	1.2
109.07607	3.9
109.10149	6.6
110.06010	1.6
111.08025	2.5
112.02174	32.0
112.03945	4.3
112.07570	1.5
113.00552	4.3
114.00072	3.4
114.03737	16.9
114.05486	2.2
115.02171	1.2
115.03178	1.4
116.01651	30.2
117.07006	4.0
119.08564	6.8
121.10104	6.6
123.11687	1.6
124.02142	5.3
124.07539	1.5
125.00559	3.2
125.07008	1.3
125.09576	1.8
126.03703	3.4
126.05477	4.2
128.06160	1.3
129.06564	9.3
129.26643	1.2
130.03233	15.2
130.04971	31.4
131.04517	4.0
131.08543	5.6
132.01091	4.1
132.04704	1.9
133.10114	5.0
134.06001	1.9
135.11674	2.9
136.03882	2.6
137.00494	1.2
137.09607	1.2
138.05431	1.2
139.02193	1.6
139.03926	2.9
140.01616	6.0
142.03203	42.9
142.04903	2.8
143.01595	2.0
143.02715	36.8
143.08472	1.5
144.01083	5.0
145.06049	7.4
145.10117	1.8
146.02640	2.2
147.02615	1.8
147.07870	1.9
147.11661	2.6
152.01624	4.9
152.34998	1.4
153.06586	7.1
155.08124	10.6
156.06546	11.4
157.10059	2.2
158.02693	8.4
159.11671	4.0
160.00661	2.2
160.04248	1.4
161.13191	1.4
162.02190	11.9
163.03911	1.6
163.11169	2.8
168.04764	7.8
168.06514	1.4
169.04230	8.5
170.02739	6.3
171.02263	8.7
172.04256	1.5
172.06020	1.3
173.09221	4.8
175.11140	1.4
177.03275	20.3
179.04816	19.2
181.04529	2.0
181.05988	8.3
184.06036	3.0
184.07474	1.5
185.03761	4.9
185.07903	1.3
187.05557	1.7
188.03748	7.8
189.03256	100.0
192.06436	1.6
193.12154	2.9
196.04262	12.6
199.05333	2.7
199.07156	4.0
205.06404	36.7
208.06024	3.3
211.07037	1.3
211.13197	1.4
215.04816	43.5
215.06905	2.2
217.06337	4.1
223.07762	2.4
224.03714	4.1
227.04892	5.9
231.04297	6.0
232.05011	3.3
233.05867	35.1
241.06374	3.4
243.04236	2.7
245.05881	18.3
259.07489	8.8
259.20526	1.8
261.22086	3.2
266.12012	7.7
267.15884	7.3
269.05862	4.3
274.09903	1.5
275.11176	2.0
284.13049	3.9
287.06924	16.3
288.06427	2.8
291.06317	1.3
291.19479	2.0
294.11600	2.0
299.07037	2.7
306.07495	5.8
307.08194	7.2
308.09067	7.6
316.09671	2.4
334.10617	26.2
335.25775	25.8
340.15933	1.6
341.15189	2.5
344.09180	1.4
345.07361	4.0
346.10535	1.5
362.10092	59.0
392.11102	1.7
461.19366	5.1
527.37244	1.4
530.92938	1.3
559.36487	2.8
654.40125	2.0
655.39417	1.5
664.95117	1.3
703.38971	2.8
705.41418	1.5
721.40497	11.4
739.41968	23.2
740.41290	1.9
757.42932	14.7
758.43091	1.4
775.41522	2.1
793.43317	5.9
811.43921	6.6
868.46423	10.0
886.47217	51.5
887.46234	4.3
964.47992	1.7
1048.50977	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	1048.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00638	4.6
76.02218	20.8
76.03988	6.7
79.05492	14.1
80.05009	9.2
81.03410	10.6
81.05767	2.3
81.07040	16.6
82.06562	4.7
83.04962	2.9
83.06104	8.5
83.08599	3.5
84.03999	2.4
84.04490	48.7
85.01115	47.8
85.02878	4.7
85.04007	4.0
86.00639	38.8
86.98502	2.4
86.99040	48.8
87.02673	3.5
88.02200	5.3
91.05467	11.0
93.07024	12.0
95.04964	3.4
95.08597	8.7
96.04462	4.3
97.01104	14.0
97.02882	1.9
97.06557	1.7
97.10139	2.7
98.00623	5.4
98.06028	4.6
98.20727	2.8
98.99039	1.8
99.01411	1.7
99.05573	3.6
100.02210	8.1
102.00117	1.7
102.03752	32.6
102.05525	23.7
105.07012	5.9
107.04931	3.1
107.08593	6.2
108.04453	1.8
109.05230	1.9
109.06519	2.0
109.07623	4.0
109.10146	6.6
110.06015	2.9
111.04417	1.6
112.02179	28.5
112.03909	4.7
113.00569	5.8
114.00070	2.8
114.03729	13.6
114.05515	4.1
116.01659	28.7
117.06985	3.0
119.08543	5.5
121.10114	4.4
123.02603	2.1
124.02145	5.5
124.07520	1.4
125.00542	2.5
125.09629	3.5
126.03716	3.9
126.05499	4.3
128.06975	1.4
129.06558	10.5
130.03218	15.9
130.04973	29.1
131.04533	2.6
131.08589	2.7
132.01117	3.7
133.10115	3.0
134.05986	2.3
135.11652	3.7
136.03893	2.5
137.07097	1.5
139.80110	1.2
140.01617	4.5
142.03207	43.1
143.01602	1.8
143.02713	33.9
144.01111	8.2
145.06058	6.3
145.10080	4.6
147.11621	3.8
152.01602	2.0
153.06558	7.5
155.08147	9.5
156.06548	7.3
158.02715	8.1
160.00574	2.3
162.02176	10.4
168.04718	7.1
169.04288	8.5
170.02689	5.0
171.02222	8.1
171.07722	1.6
173.09306	2.0
177.03275	13.2
179.04819	18.1
181.05980	8.6
185.03716	3.4
187.05357	1.8
188.03700	8.0
188.05272	1.6
189.03259	100.0
193.06082	2.2
193.12199	2.9
196.04271	11.1
199.05350	4.2
199.07089	3.4
200.07892	2.2
205.02936	1.5
205.06390	37.5
207.71474	1.4
211.13170	1.7
215.04819	43.5
217.06351	3.6
223.05290	1.3
223.07927	1.8
224.03719	6.6
227.04749	4.7
227.12721	2.8
229.14268	1.5
231.04298	5.9
231.07976	2.2
232.05101	1.5
233.05890	34.4
238.12587	2.0
241.06403	3.2
243.04388	2.2
245.05893	19.3
249.09285	1.4
257.07782	2.1
259.07431	7.1
266.12137	6.1
267.15900	4.8
269.05798	2.7
274.10004	2.0
275.11087	2.7
284.13199	2.9
287.06943	16.7
288.06537	1.7
294.11664	1.8
299.06982	4.7
306.07452	5.5
307.08173	6.4
308.09167	7.5
312.12653	2.0
317.07974	2.2
330.13708	1.4
334.06885	2.2
334.10620	25.4
334.14404	0.9
335.25763	18.6
341.15152	2.1
345.07550	3.1
362.10107	54.2
363.10489	2.3
392.11093	2.0
395.16400	1.7
443.18317	1.9
461.19370	2.8
527.38123	1.7
534.20984	2.8
608.23969	2.1
618.38104	1.8
654.40106	2.2
721.40442	8.3
739.41919	18.7
740.41394	1.5
757.42798	11.8
775.41718	1.8
793.42468	5.9
794.41962	1.6
811.43140	7.0
868.46008	9.8
886.47125	51.9
887.47070	5.9
974.70306	1.7
1030.49756	2.1
1048.51111	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.6
51.02384	1.9
53.03939	12.2
53.70429	0.5
55.01851	0.8
59.20573	0.3
60.04501	0.8
61.08487	0.7
62.08885	0.4
65.03928	3.3
69.39932	1.4
69.40361	3.0
77.03899	2.0
79.05481	51.6
80.05805	1.2
81.03402	1.4
81.33326	0.4
91.20302	0.5
95.04953	23.4
96.04463	0.9
96.05301	0.6
100.26495	0.4
103.05453	33.7
105.03365	1.2
105.04512	7.3
105.07014	100.0
105.11077	1.3
106.06545	2.0
106.07349	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	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01590	0.4
51.02366	2.9
51.82963	0.3
51.92602	0.3
53.03938	14.6
55.01853	0.8
60.04517	0.4
70.43697	1.2
70.44082	0.7
77.03912	3.7
79.05480	57.9
80.05813	1.2
81.03378	1.7
95.04951	28.3
98.21395	0.4
103.05451	44.1
104.05782	1.2
105.04523	6.4
105.07011	100.0
106.07339	3.5
121.17093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.07
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01587	0.6
51.02369	1.6
53.03939	13.2
55.01864	0.5
59.75427	0.5
65.03931	1.3
69.78081	3.1
73.83082	0.5
77.03936	3.7
78.44833	0.6
79.05481	52.1
80.05809	1.2
81.03400	1.4
86.72926	0.5
95.04955	24.0
96.05283	0.7
98.21423	0.7
103.05450	35.7
104.05741	0.8
105.03383	0.8
105.04513	4.7
105.07012	100.0
105.11051	0.8
106.07352	3.3
116.10887	0.5
124.47883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02915	1.3
75.04444	1.8
79.05475	5.8
79.64664	0.6
81.03397	4.2
81.07041	7.4
81.38300	0.5
83.04965	29.3
83.08610	0.6
85.02888	45.0
85.06510	1.0
87.00813	15.9
87.04440	2.9
88.62634	0.5
91.05460	9.1
92.05781	0.7
93.07026	7.1
95.04942	3.6
95.08582	4.9
97.02863	5.1
97.06505	0.7
99.04435	5.0
101.05987	2.7
103.03905	1.1
105.01846	20.0
105.07012	11.7
107.08572	7.0
109.02864	6.8
109.06493	1.0
109.10140	7.7
111.04424	41.7
113.05991	1.1
115.05430	1.7
117.06995	3.6
119.08549	5.4
121.06496	0.9
121.10119	8.5
123.04412	1.8
123.11658	1.9
125.02367	0.8
125.06001	0.7
127.03899	11.7
128.06189	2.5
129.05455	69.0
129.06865	6.1
130.07774	0.7
131.08536	7.9
133.10097	12.3
135.04373	0.8
135.11642	1.8
137.05981	0.5
139.03850	1.0
141.05347	0.7
141.06961	2.4
141.09053	2.0
142.07744	5.9
142.49944	0.5
143.08542	9.0
145.04942	3.9
145.10092	8.6
147.02827	1.3
147.06442	2.8
147.11653	17.7
148.33824	0.6
149.13217	1.4
151.03856	0.6
151.07521	1.0
153.05428	2.1
155.08539	2.7
157.04958	1.3
157.10097	23.9
159.02832	1.4
159.11667	12.8
161.13200	2.2
165.09056	1.6
169.04878	0.6
169.10078	2.8
171.02748	0.6
171.06487	1.3
171.11670	7.8
173.04433	1.7
173.13242	4.4
175.11206	0.7
177.05405	0.8
179.10657	0.8
181.10078	0.7
182.10921	1.1
183.11674	4.1
184.12512	0.5
185.13252	3.2
187.14714	0.5
189.03938	2.6
191.07216	0.6
191.10675	0.7
195.06447	1.0
195.11714	0.8
196.12453	0.8
197.04439	0.9
197.13228	5.3
199.14751	1.4
209.13264	1.2
211.14799	4.4
213.03893	4.5
213.07454	0.9
213.16339	1.6
215.05515	6.9
223.14812	1.7
224.15491	1.1
225.16325	1.7
231.04958	7.3
231.08426	0.6
233.06511	26.7
237.07521	2.5
238.17134	1.8
239.09123	2.4
239.17955	0.6
249.06035	4.0
251.17868	4.4
253.19475	100.0
254.19872	2.8
255.08607	3.1
255.21005	2.2
257.10104	2.3
269.18845	0.7
271.20532	9.8
273.05936	1.4
295.20279	0.6
315.10590	1.4
323.07562	0.9
327.23132	0.7
341.08765	2.6
343.10229	1.1
359.09683	3.1
361.11121	3.7
375.26755	0.8
377.10620	2.4
393.27783	3.7
395.11743	0.9
399.25244	1.4
411.28879	6.5
429.29916	2.6
445.09686	1.2
463.10782	1.2
485.25272	1.8
487.14490	0.8
517.24097	0.7
519.25305	1.0
551.94263	0.7
677.33801	0.6
781.72656	0.6
805.39172	0.9
897.36676	1.2
1055.46521	12.3
1056.45972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.468
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	1.9
75.04456	1.6
79.05479	10.4
81.03400	11.2
81.07040	31.4
83.01318	1.5
83.04964	47.4
83.08583	1.5
85.02887	63.7
85.06523	13.6
87.00810	27.7
87.04440	3.6
91.05458	12.4
93.07027	11.7
95.04947	23.8
95.08582	14.6
97.02872	9.9
97.06518	3.0
97.10120	0.7
99.04442	10.4
99.08074	1.1
101.05997	3.9
103.03924	1.6
103.05447	0.9
105.01845	28.3
105.04517	1.0
105.07007	15.7
107.04931	2.8
107.08569	8.8
109.02856	41.2
109.06481	6.7
109.10138	14.1
111.04420	64.5
111.08041	1.6
113.05986	3.9
113.09634	0.7
115.05425	1.4
115.07561	1.2
117.01778	0.6
117.05499	0.7
117.06987	5.5
119.08556	10.6
121.06483	11.0
121.10107	6.6
122.07262	0.6
123.04407	46.1
123.08041	7.4
123.11692	3.1
124.05178	2.2
125.02324	2.0
125.05933	3.5
125.09601	8.7
127.03890	23.3
128.06206	2.0
129.01797	2.4
129.05450	84.4
129.06995	5.2
130.05843	0.7
130.07739	0.6
131.08542	12.6
132.49973	0.6
133.06456	0.8
133.10100	10.6
135.04405	1.7
135.08038	4.3
135.11694	3.1
137.05959	3.8
137.09575	7.5
139.03860	3.1
139.11150	5.2
141.05458	1.3
141.06902	1.8
141.09071	12.6
142.07773	4.2
142.83540	0.6
143.08548	9.4
145.04924	6.6
145.06190	1.1
145.10097	13.2
147.02837	2.0
147.06523	2.5
147.08020	6.0
147.11665	8.1
149.05940	1.8
149.09572	3.8
149.13240	2.2
151.03864	2.1
151.07477	0.7
151.11166	6.9
153.05426	4.9
153.09084	1.2
155.08525	6.1
155.10611	0.8
156.09233	1.4
157.04974	2.8
157.10091	22.1
159.02859	2.8
159.07996	1.0
159.11655	8.7
161.09589	3.8
161.13202	3.8
163.07474	1.2
163.11137	2.4
165.09084	58.5
166.09355	0.7
167.06990	1.2
167.08508	1.1
167.10667	5.5
168.09306	0.7
169.04959	1.4
169.10115	4.3
171.06522	2.6
171.07932	1.0
171.11642	12.0
173.04440	2.6
173.09601	1.7
173.13245	2.5
175.07474	1.3
175.11136	2.5
175.14835	1.2
177.05475	1.0
177.12712	1.1
179.10637	39.9
180.09300	0.6
181.05011	0.7
181.10135	2.4
181.12201	4.7
182.10785	1.0
182.14136	0.6
183.10109	3.8
183.11690	4.7
185.09578	0.8
185.13210	4.3
187.14781	2.0
189.03879	5.3
189.12740	0.9
191.06975	1.5
191.10556	1.1
193.10051	0.9
194.10692	0.8
195.06509	2.3
195.11646	3.3
196.12387	1.7
197.13133	3.0
198.13992	0.9
199.11269	0.7
199.14748	2.3
201.12593	1.0
201.16298	0.9
203.14287	0.9
205.12170	0.6
207.11696	1.7
209.13203	3.5
211.14778	8.6
213.03903	7.8
213.07501	1.8
213.12920	1.3
213.16324	33.0
214.16641	0.7
215.05415	5.0
215.14313	1.4
219.06543	1.2
219.11597	0.8
221.08087	1.2
221.13235	1.1
223.14790	1.6
225.12691	0.9
225.16365	2.8
227.17885	4.1
229.15865	2.7
229.19417	1.2
231.04977	10.6
231.08656	1.8
231.13811	1.1
231.17409	1.9
233.06505	22.6
233.13239	0.8
235.14731	1.7
236.15601	0.8
237.07481	6.3
237.16328	3.4
239.09097	5.5
239.14182	0.7
239.18001	1.8
241.15802	0.8
249.05995	3.8
249.16354	4.8
251.17908	5.9
253.19434	4.0
255.08626	4.7
255.17397	2.0
257.10077	2.7
261.06033	0.9
265.19202	0.7
267.17447	3.8
267.20596	0.8
269.19003	1.9
271.20517	2.4
273.06006	1.8
275.07602	1.2
277.19482	1.2
279.21143	3.3
281.18756	0.7
285.18472	0.7
291.20972	0.7
295.20474	1.3
297.22083	8.9
301.19336	0.9
309.22061	0.9
313.21707	0.7
315.07269	0.7
315.10733	3.8
315.23331	2.8
317.22537	0.7
319.20593	1.1
323.07568	1.3
325.09317	0.7
325.21542	0.8
327.23431	1.2
337.25110	0.8
341.08698	4.3
343.10138	1.6
359.09689	6.4
361.11151	5.8
365.28238	2.4
375.26746	12.2
375.31161	1.1
377.10651	3.1
383.28900	0.8
393.27795	79.3
394.28040	2.9
409.27768	0.8
411.28867	100.0
412.29181	4.0
427.08493	1.0
429.29929	35.5
430.30496	0.9
445.09808	1.6
455.23297	0.6
487.14481	0.9
503.31100	0.7
539.33344	1.0
557.34784	1.1
566.74054	0.6
615.35028	0.8
625.33496	1.1
641.33307	3.4
643.34448	0.9
659.34106	21.4
660.33875	1.3
677.35229	10.9
769.37378	0.7
787.38702	0.9
805.39844	5.2
823.39984	1.2
870.56085	0.7
891.39594	1.9
993.46014	1.8
1019.43835	1.4
1037.45752	10.7
1055.50024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02877	2.5
75.04433	0.8
79.05473	6.7
81.03400	10.4
81.07039	10.4
83.04964	30.0
83.08608	1.4
85.02890	46.5
85.06522	7.7
87.00812	17.8
87.04436	3.0
91.05462	9.7
93.07026	10.7
95.04948	9.8
95.08582	8.8
97.02879	8.0
97.06509	2.3
97.10168	0.8
99.04433	5.0
101.05971	1.7
103.03900	0.8
105.01847	18.3
105.07003	12.7
107.04905	1.8
107.08569	8.9
109.02856	12.0
109.06505	3.7
109.10130	11.3
111.00732	0.8
111.04420	36.2
113.02341	1.0
113.05984	6.1
115.05411	0.9
115.07488	1.3
117.07021	4.4
119.08559	7.9
121.06474	2.6
121.10127	14.2
123.04385	1.0
123.08026	2.2
123.11693	2.7
125.05901	0.8
125.09592	1.5
127.03889	20.6
128.06168	1.8
129.01791	1.7
129.05453	39.8
129.06879	5.2
130.05717	1.0
131.08543	9.3
133.09131	1.4
133.10094	11.8
135.04350	1.3
135.08006	0.9
135.11661	3.7
137.05843	0.9
137.09544	0.9
141.06960	1.8
142.07758	4.5
143.08534	10.5
143.10629	4.2
144.99980	0.7
145.04965	4.3
145.10089	13.4
147.02831	2.6
147.04449	0.8
147.06514	1.7
147.11656	18.7
149.09576	1.1
149.13232	3.3
151.03877	1.4
151.11127	1.0
153.05428	3.3
155.08516	2.8
157.05019	1.1
157.10100	29.1
157.11398	1.6
159.02840	3.8
159.11668	17.6
161.13235	3.5
163.11212	0.8
165.05482	0.8
165.09021	1.3
167.08589	0.9
167.10677	0.8
169.10078	3.9
171.06482	1.3
171.11659	11.2
173.04436	1.7
173.13245	4.5
175.11073	1.5
175.14809	1.2
179.10533	1.3
183.11670	3.4
185.13252	4.6
187.14774	1.0
189.03966	2.3
195.06523	1.5
195.11708	1.4
197.13246	7.4
198.13933	0.9
199.14764	1.8
201.16325	1.6
209.13356	0.9
211.14757	5.6
213.03899	3.8
213.07556	0.9
213.16377	4.4
215.05504	5.6
215.17934	1.8
221.08078	1.1
223.14859	1.2
224.15529	2.0
225.16293	3.1
227.17905	1.0
229.19417	1.8
231.04916	6.3
233.06506	13.0
237.07518	3.0
238.17096	2.3
239.09064	4.3
249.06013	2.3
251.17906	2.6
253.19469	100.0
254.19861	3.5
255.08533	1.4
255.21059	2.7
257.10065	1.9
263.17651	1.0
271.20505	37.9
272.20880	1.5
283.24097	4.3
315.10651	2.0
323.07422	0.7
337.25211	2.3
341.08557	2.6
355.26279	6.1
359.09576	2.2
361.11218	3.2
377.10825	1.5
377.28146	3.5
393.27805	1.2
395.29364	21.9
397.30679	1.4
399.25186	0.9
411.28799	3.2
413.30429	45.7
414.30627	1.5
415.31918	1.3
431.31497	26.7
432.31818	1.5
445.09439	2.0
463.10544	0.8
485.24756	1.6
501.25119	1.5
519.25684	8.5
577.37012	0.9
603.31415	2.8
659.33972	1.4
661.35785	15.1
662.36121	0.9
677.35223	1.1
679.36816	14.4
680.36761	0.9
807.40973	1.5
893.40503	2.6
981.44360	0.9
1021.46436	1.0
1039.45752	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	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02363	0.5
53.03936	2.6
55.01856	0.7
64.29494	0.4
65.03928	13.5
66.03461	0.5
66.13146	0.4
67.04225	1.7
67.05491	2.7
69.88029	3.0
69.88440	1.0
79.05479	20.6
80.05006	4.3
80.05788	0.5
81.03397	0.6
81.04564	0.5
86.57314	0.5
91.05462	100.0
92.05778	1.6
92.06281	3.2
92.61613	0.4
93.05750	0.5
93.20383	0.4
95.04941	4.3
98.20693	1.0
103.05427	0.6
105.04487	0.7
105.07011	30.1
106.07324	0.8
107.04935	9.5
107.06073	1.9
107.08573	32.6
108.04472	1.6
108.05588	1.0
108.08127	0.9
108.08901	0.9
109.06498	15.4
119.06052	5.8
124.05190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04457	1.4
76.22168	0.5
79.05479	5.2
80.68388	0.5
81.03401	20.7
81.07032	7.6
82.03707	0.6
83.04963	62.6
83.08608	2.1
84.05299	0.7
84.65986	0.5
85.02888	75.5
85.06523	13.3
87.00810	31.8
87.04446	4.0
91.05471	6.4
93.07035	6.1
95.04955	10.7
95.08591	4.7
97.02872	15.4
97.06506	3.3
99.04442	11.9
101.06004	2.8
103.03924	4.9
105.01844	36.3
105.06998	9.2
107.04943	2.8
107.08572	6.8
109.02856	26.8
109.06497	1.9
109.10143	6.9
111.04419	100.0
112.04726	1.3
113.02328	1.5
113.05976	4.3
115.03922	1.2
115.05441	0.8
115.07559	1.3
117.05478	1.0
117.06986	3.0
119.04935	0.7
119.08545	7.4
121.06479	2.4
121.10130	9.2
123.04401	4.2
123.08030	1.0
123.11662	1.1
125.02322	1.7
125.05987	3.0
125.09583	3.8
127.03891	44.5
127.11100	0.6
128.04207	0.6
128.06218	1.5
129.01834	1.8
129.05452	71.3
129.07002	2.6
130.05774	0.8
131.04895	0.7
131.06995	0.8
131.08543	6.2
132.69472	0.6
133.06500	0.6
133.10094	11.4
135.04376	4.2
135.08043	0.9
135.11670	2.3
137.05946	1.3
139.03862	3.5
141.05482	1.4
141.06946	1.5
141.09050	3.0
142.07745	1.9
143.08533	9.7
144.09143	0.7
145.04938	7.8
145.06184	0.8
145.06435	0.7
145.10100	11.7
146.08138	1.1
147.02866	2.6
147.04382	0.9
147.06483	5.4
147.08006	0.7
147.11659	19.9
149.05984	2.8
149.13222	4.1
151.03865	3.7
151.07475	0.7
151.11221	0.7
153.01758	0.7
153.05429	11.1
155.03383	0.6
155.08545	2.7
156.09215	0.7
157.04955	4.7
157.10104	14.8
159.02849	4.1
159.06482	2.0
159.11662	18.0
161.13234	7.2
163.07520	1.0
163.11140	2.3
164.09167	3.1
165.05449	2.5
165.09074	0.8
169.04964	1.9
169.10078	2.8
171.02847	1.6
171.06520	3.8
171.10338	1.0
171.11664	9.4
173.04449	4.5
173.05838	0.9
173.13205	6.2
175.06006	0.9
175.07474	1.3
175.11156	1.8
175.14793	1.6
177.05466	1.6
179.03357	0.7
179.07030	1.6
181.04945	2.3
181.10127	0.6
183.06509	2.1
183.11671	3.9
185.13257	4.1
187.06009	1.3
187.14804	1.4
189.03899	9.1
191.06949	2.7
193.04912	2.0
193.08565	1.0
195.06436	4.2
195.11646	1.6
197.04388	0.9
197.13219	6.1
199.14778	4.2
201.16289	0.7
203.05530	1.4
209.08090	1.3
209.13208	1.7
211.05896	0.6
211.09715	0.6
211.14870	4.1
213.03903	16.4
213.07399	4.7
213.16351	3.3
215.05457	5.4
215.14311	0.8
215.17851	0.9
217.07193	0.7
219.06471	3.7
221.08022	2.3
221.13275	0.9
223.14763	1.4
225.16328	3.3
227.17871	1.1
229.07114	0.7
229.19476	1.0
231.04973	16.1
231.08508	1.3
233.06509	23.5
235.14763	0.7
237.07541	16.8
237.16452	0.6
238.17111	1.2
239.09097	15.4
239.17844	0.8
249.06027	7.8
249.16315	0.5
251.17906	7.2
252.18481	0.9
253.19472	90.7
254.19829	4.4
255.04671	0.8
255.06091	0.9
255.08607	9.5
255.21036	22.2
256.21378	1.4
257.10165	11.6
259.04449	0.6
261.05994	1.2
267.20883	1.0
269.19211	1.3
271.20514	22.0
272.21243	0.6
273.06018	4.5
273.09534	1.6
275.07571	2.7
275.11163	0.8
277.19495	0.6
279.21033	2.3
281.06558	0.8
281.22589	16.2
281.25531	1.2
282.23227	2.3
283.24063	1.3
285.05981	1.2
287.07434	1.2
291.07346	0.6
291.20984	1.5
293.22565	0.8
297.09589	0.7
299.07581	0.9
315.07178	1.0
315.10638	9.6
317.08713	1.1
323.07547	4.4
325.09235	1.4
341.08615	13.4
343.10226	5.5
359.09695	17.4
361.11237	18.2
362.11789	0.8
377.10757	9.8
377.28342	15.6
378.28592	1.1
379.12216	3.8
395.11780	2.4
395.29385	85.0
396.29788	5.3
399.25232	1.4
413.30447	28.7
414.30627	1.8
427.08533	1.8
429.29755	0.8
445.09726	6.3
463.10846	3.0
469.13599	1.7
481.12253	0.7
485.25223	2.2
487.14215	4.1
519.25800	10.9
541.35345	0.8
573.14270	1.1
591.15332	1.4
627.35205	1.6
643.34259	1.1
661.35638	8.1
677.35376	0.9
897.37537	1.0
1039.45581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04472	2.4
79.05467	6.2
81.03397	20.7
81.03876	1.2
81.07036	10.9
83.04961	59.0
83.08604	1.4
85.02885	81.8
85.06506	2.8
86.03225	0.6
87.00808	36.7
87.04446	4.8
89.06021	1.0
91.05462	8.4
91.45023	0.6
93.03400	0.7
93.07018	8.4
95.04946	15.2
95.08580	7.5
97.02866	15.3
97.03463	0.9
97.06509	5.1
99.04426	11.4
101.02357	0.8
101.05997	1.4
101.55109	0.6
103.03908	3.7
103.05465	0.8
105.01842	35.5
105.07005	15.4
107.04943	2.4
107.08575	9.8
109.02853	23.3
109.03616	0.8
109.06479	5.7
109.10133	8.3
111.04417	100.0
111.08057	1.2
112.04738	1.6
113.02365	1.4
113.05975	8.1
115.03954	1.4
115.05450	0.9
115.07525	0.7
117.01820	0.7
117.05508	0.8
117.07003	3.7
119.04956	0.7
119.08545	8.1
120.08859	0.6
121.02902	0.6
121.06495	3.7
121.10123	8.8
123.04396	3.9
123.08057	2.8
123.11687	2.0
125.02325	2.4
125.05970	2.3
125.09596	1.8
127.03886	40.9
128.06136	1.4
129.01788	3.2
129.05449	61.1
129.06995	3.0
131.07001	1.1
131.08539	8.0
133.10106	13.3
135.04372	2.8
135.08044	0.9
135.11653	4.9
137.05954	2.6
137.09605	2.6
139.03873	4.3
141.05453	1.4
141.06964	0.9
142.07762	2.1
143.08539	8.9
143.10614	0.8
145.04922	5.9
145.06007	0.6
145.06490	0.6
145.10095	11.3
146.08089	0.8
147.02850	2.3
147.06499	3.9
147.07965	0.8
147.11658	16.2
149.05934	2.9
149.09604	0.9
149.13232	7.1
151.03883	4.0
151.07510	0.9
151.11145	1.0
153.05434	11.9
155.03456	0.6
155.07309	0.6
155.08504	3.9
157.04945	4.7
157.10089	14.4
159.02881	3.2
159.04015	0.6
159.06485	1.6
159.10367	1.1
159.11661	14.1
161.09558	1.0
161.13217	13.5
163.03842	1.2
163.05952	0.8
163.07494	1.0
163.11136	0.7
164.09146	1.5
164.81320	0.7
165.05460	2.1
167.07034	1.0
167.10585	0.9
169.04967	1.7
169.10110	2.5
171.02835	1.5
171.06456	3.0
171.11667	8.2
173.04459	4.0
173.13243	5.3
175.03841	1.2
175.05991	0.8
175.07497	1.0
175.11194	0.9
175.14819	3.2
177.05441	1.6
177.12759	1.1
179.06995	0.8
179.10664	1.5
181.04921	1.6
183.06419	0.9
183.11642	4.0
185.13223	3.7
187.05925	1.1
187.14777	1.9
189.03894	8.3
189.12660	0.6
191.06978	1.6
193.04942	2.2
193.08580	0.9
195.06462	4.6
195.11758	1.3
197.11635	1.1
197.13187	4.7
199.14842	2.1
201.07495	0.8
201.16313	1.8
203.05377	1.1
209.08060	0.9
209.13248	1.0
211.14789	3.5
213.03893	12.0
213.07411	4.4
213.16391	3.0
215.05452	4.4
215.17941	7.0
219.06525	2.1
221.08055	1.6
223.14722	1.4
225.16325	2.3
227.17899	1.2
229.19429	1.3
231.02864	1.2
231.04961	12.2
231.08459	1.5
233.06523	18.9
235.14775	1.5
237.07521	11.9
237.16446	0.8
238.17175	1.4
239.09097	11.7
239.17854	0.7
247.16827	1.1
249.06059	5.7
249.16376	0.7
251.17928	4.8
253.19466	58.8
254.19855	2.7
255.04984	0.7
255.05984	0.7
255.08574	5.7
255.20988	1.2
257.10147	7.2
261.06003	0.9
271.20496	10.4
272.20718	0.8
273.06055	2.2
273.09448	0.8
275.07590	2.0
281.10275	0.7
281.19501	0.6
281.22665	1.8
283.24118	7.6
287.07629	1.0
291.20923	1.9
293.22598	0.7
299.07681	0.8
307.24185	2.0
311.23663	0.8
315.07141	1.1
315.10617	8.3
317.08746	0.8
323.07495	3.2
325.25204	7.6
327.23071	2.3
341.08600	9.6
343.10031	3.8
343.26263	0.9
359.09656	11.6
361.11203	14.5
365.28268	0.9
377.10620	6.8
377.28326	5.4
379.12183	2.6
395.11774	1.7
395.29388	38.0
396.29562	1.8
413.30432	51.2
414.30716	2.7
427.08542	1.7
431.31284	4.3
445.09671	5.4
463.10834	2.0
485.25403	0.8
487.14410	3.1
493.19629	0.6
519.25964	3.1
573.14368	0.7
591.15491	0.9
591.31824	1.2
659.34045	1.8
661.35651	19.8
662.35938	1.4
807.41559	0.9
875.40009	1.1
893.41132	3.7
897.35919	0.8
969.41980	0.7
1021.44360	2.2
1039.47278	27.2
1040.46326	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
74.97548	0.4
77.72635	0.2
84.65801	0.3
84.96006	3.9
98.97557	17.1
99.97842	0.3
102.97041	0.6
107.04844	0.3
110.91758	0.2
110.97538	4.4
112.99078	0.4
116.98598	12.4
117.03310	0.3
118.99039	0.3
120.98067	0.3
123.04378	0.6
124.99069	1.3
127.00602	0.6
127.03838	0.5
127.36480	0.2
127.44965	0.2
128.98582	9.8
131.00099	0.9
134.98695	0.4
134.99640	5.5
135.04375	0.7
139.03835	1.0
140.00179	0.6
140.98546	2.1
141.02142	0.4
143.00130	8.4
144.98068	0.3
145.01662	0.8
145.02727	0.3
146.99617	8.1
147.04375	0.3
149.01138	0.9
151.00650	0.2
152.00101	0.4
152.98572	1.1
153.00638	0.5
157.01675	0.4
158.01184	0.5
158.99623	8.4
159.03194	1.1
159.16399	0.3
161.01195	11.4
162.99091	0.4
163.02728	0.3
163.03876	4.7
164.04193	0.3
165.00674	1.0
166.01665	0.3
166.49292	0.2
168.98048	0.6
169.01633	1.3
170.01186	0.5
170.99620	13.1
173.01172	0.8
174.99089	0.7
175.00520	0.4
177.00682	9.1
179.02240	1.5
182.01254	0.5
182.99609	6.1
183.01137	0.5
185.01187	2.2
186.99117	1.5
187.00560	0.2
187.01222	0.3
187.02681	2.1
189.00673	19.7
191.02333	0.4
191.93951	0.2
193.00146	0.4
193.01709	0.6
194.99745	0.4
195.01743	1.1
200.02196	0.7
201.00662	27.0
202.00952	0.5
203.02248	2.3
205.00079	1.5
205.03673	0.3
207.01697	1.9
209.01147	0.6
211.02782	2.3
212.02272	0.9
213.00665	4.3
217.00085	0.4
218.99712	3.2
219.01700	25.6
220.02063	0.3
221.03210	1.0
221.05150	0.3
224.02267	1.3
225.00583	0.9
225.53403	0.2
227.02180	0.6
229.03751	0.8
231.01707	6.7
233.01161	0.9
235.02832	0.3
237.00638	21.7
237.02792	9.5
239.02159	0.2
242.03308	1.0
243.01726	11.7
249.00616	0.5
249.02788	2.3
251.02249	1.9
254.03232	0.3
255.01712	30.7
256.02063	0.8
257.04617	0.3
260.02240	1.0
260.04590	0.4
261.02777	40.6
262.03067	0.8
267.01544	0.4
267.04056	0.3
269.03244	3.5
273.02765	35.9
274.03308	0.7
275.03146	0.3
278.03329	1.6
279.03885	20.6
280.04401	0.5
281.04025	0.2
284.04416	0.9
287.01730	0.4
287.04745	1.1
291.03821	5.8
292.04294	0.4
296.04324	1.2
297.02637	2.9
302.05453	2.2
303.04242	0.4
305.03247	0.9
309.05112	0.4
311.01895	1.1
314.05463	0.3
315.01587	1.2
315.04150	0.9
321.04932	13.7
323.04349	3.1
329.03168	0.8
331.01141	0.4
331.04767	0.9
333.02673	1.3
333.05035	1.0
339.03864	0.7
341.05341	0.7
347.04294	2.5
349.02246	1.7
349.05893	1.0
351.06149	3.4
356.33569	0.3
357.03171	0.5
363.03699	1.4
365.05276	2.2
367.03308	2.0
369.04913	0.3
375.03668	3.0
381.06723	4.2
383.06332	0.5
385.04358	0.3
393.04797	13.8
399.08279	4.2
407.07111	0.3
411.05887	17.7
412.06250	0.7
416.06418	0.7
422.08917	0.3
423.05963	0.9
429.06985	44.2
430.07349	1.6
434.07321	1.6
435.05911	2.7
441.09134	2.5
447.06723	1.4
452.08511	2.7
453.06931	13.3
454.07391	0.3
465.06882	2.9
471.08041	5.0
476.08328	0.3
477.07306	0.5
483.08026	3.1
494.09692	0.7
495.08014	4.1
501.09128	0.6
507.07870	1.1
513.09180	2.3
519.08069	0.5
525.08997	3.7
531.10059	0.4
537.08966	4.7
543.10272	1.4
555.10126	11.9
556.10413	0.3
558.12115	0.4
561.11224	1.6
564.10590	0.9
573.11359	4.7
578.11511	0.5
597.02454	0.4
597.11261	5.2
609.11377	0.6
615.11926	0.8
627.12036	0.4
645.12811	0.4
717.15332	25.4
718.15216	1.4
735.16394	100.0
736.16583	5.2
811.20386	0.3
1058.40576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.7071
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05475	2.8
80.05010	0.5
81.03412	1.0
81.07040	6.8
82.06572	0.7
82.07336	0.4
83.04974	2.2
83.08602	7.4
84.04486	8.5
84.04987	0.5
85.02892	8.7
85.10162	1.5
86.06052	5.3
87.98153	0.3
88.03983	1.9
91.05486	1.5
93.07026	3.3
95.04965	0.8
95.08588	7.7
96.04488	0.7
97.06536	1.0
97.10147	6.8
98.06061	0.5
100.03957	2.0
102.05540	1.8
105.07023	1.2
107.08566	1.8
109.10143	3.3
110.06020	0.7
111.04446	1.1
111.11704	3.1
113.56727	0.3
117.07037	0.5
119.08573	0.9
121.06467	0.5
121.10117	2.5
123.11679	1.4
125.09586	0.4
125.13248	0.9
131.08577	0.7
133.10046	0.7
135.11685	1.8
137.13228	0.6
139.14845	0.4
145.10056	0.5
147.11636	0.4
149.13261	0.7
157.10144	0.4
170.19708	0.3
175.11099	0.3
193.12224	0.9
211.13298	1.0
212.23708	9.5
213.22087	3.7
213.23952	0.5
224.23540	0.4
227.12878	0.7
228.23241	0.5
237.22002	0.3
238.25331	0.7
240.26764	2.1
242.24593	0.3
250.25226	3.0
251.23656	11.6
252.23711	0.6
253.21620	0.8
254.24666	1.4
266.24725	3.4
267.15927	0.9
267.23163	1.2
268.26312	27.4
269.17349	0.6
269.26663	0.8
275.19986	0.9
278.24762	4.1
279.23154	1.3
285.16986	1.3
286.27466	2.1
296.25790	25.1
297.26102	0.8
314.26834	79.1
315.27222	3.0
316.28433	1.1
318.05524	0.3
332.27887	100.0
333.28214	3.9
349.23645	1.0
479.29837	0.8
541.35052	0.7
559.28461	0.4
559.36328	1.6
833.85699	0.3
1052.69507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02369	1.6
53.00298	0.5
53.03941	25.7
54.04288	0.7
55.01872	7.6
55.05504	9.2
56.96577	0.6
65.03931	8.7
66.04713	1.5
67.05494	83.4
68.05017	4.8
68.05824	0.9
69.03417	0.7
69.04541	3.8
69.07058	6.0
71.70067	0.7
79.05482	48.0
80.05021	0.7
80.05850	1.1
80.06267	0.9
81.03404	38.7
81.07042	60.9
82.03725	1.0
82.06565	3.7
82.07368	1.3
83.06099	1.1
86.00654	0.7
86.50597	0.7
87.00456	3.2
91.05465	14.9
92.04983	0.8
92.05820	0.8
94.04179	6.4
94.07803	1.0
95.04974	1.6
105.04483	0.5
105.07004	0.6
107.04949	2.2
107.08591	2.8
109.02866	8.6
109.06503	100.0
109.07581	8.7
109.10136	29.6
110.06022	8.5
110.07140	14.5
113.96362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02374	0.9
53.00312	1.1
53.03939	14.5
54.03480	0.5
54.04273	0.4
55.01870	0.5
55.05502	10.7
55.68235	0.4
56.05036	0.7
56.05867	0.4
57.27034	0.3
60.59856	0.4
65.03931	6.3
67.05494	100.0
68.05021	7.9
68.05808	2.3
69.03397	0.5
69.04544	2.3
69.07059	6.6
69.43877	4.1
77.44865	0.3
79.05485	13.4
80.05014	1.4
80.06264	0.9
81.03405	19.4
81.07043	35.3
82.06568	6.2
82.07361	0.7
83.06072	0.7
87.00459	1.7
89.07652	0.4
91.05457	3.3
92.04977	1.4
94.04180	3.1
94.07797	1.7
105.06998	0.8
107.04926	1.3
107.08572	3.5
109.02868	4.9
109.06493	8.7
109.07627	13.2
109.10138	37.4
110.06033	8.1
110.07153	6.5
110.07887	0.5
110.10489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02372	0.9
53.00296	0.5
53.03938	15.2
53.92973	0.4
54.04266	0.5
55.01865	1.0
55.05501	11.6
65.03932	5.3
66.29225	0.5
67.05494	100.0
68.05019	4.9
68.05818	2.3
69.04551	1.5
69.07062	5.8
72.42712	0.5
76.01884	0.5
77.41714	0.5
79.00079	0.4
79.05482	11.1
80.06271	1.5
81.03405	20.9
81.07045	35.0
82.03748	0.6
82.06585	3.1
82.07384	1.1
83.06080	0.5
87.00446	1.3
91.05448	2.4
92.04971	0.9
94.04173	1.4
94.07804	1.4
95.05010	0.7
105.07024	0.5
107.04936	0.5
107.08577	3.3
109.02872	5.5
109.06513	5.9
109.07628	9.7
109.10139	36.2
110.06026	6.7
110.07153	6.4
110.10464	1.6
110.95293	0.4
113.96407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	5.5
79.53008	0.4
81.03399	21.0
81.07036	7.7
83.01333	0.6
83.04962	67.5
83.08601	1.5
84.05296	1.0
85.02885	81.1
85.06535	2.0
86.03213	1.0
87.00809	33.6
87.04443	4.9
91.05459	7.8
93.03403	0.5
93.07027	7.9
94.07355	0.4
95.04945	11.7
95.08590	5.8
97.02874	16.5
97.06495	2.6
99.04433	12.4
101.02354	0.6
101.06003	4.3
103.03931	4.0
103.05489	0.6
105.01843	31.6
105.07004	11.7
107.04932	2.8
107.08570	5.9
109.02854	24.8
109.06497	2.4
109.10136	5.9
111.04418	100.0
112.04739	0.7
113.02349	1.5
113.05984	5.6
115.03902	1.2
115.05441	1.0
116.06236	0.4
117.01833	0.9
117.05457	0.7
117.06991	3.8
119.04922	0.7
119.08555	9.7
121.02815	0.4
121.06473	3.4
121.10123	8.3
123.02978	0.4
123.04406	3.6
123.08034	1.5
123.11675	1.4
125.02322	2.4
125.05972	2.9
125.06802	0.5
125.09579	0.6
127.03889	45.6
128.04234	0.7
128.06195	1.5
129.01822	3.1
129.05450	61.3
129.07005	2.3
130.05745	0.5
130.07713	0.4
131.07033	0.5
131.08543	5.8
133.06444	0.7
133.10098	12.3
135.04378	3.6
135.08026	0.9
135.11650	3.9
137.02327	0.7
137.05946	2.6
137.09534	0.6
139.03871	3.8
139.07434	1.7
141.05453	1.6
141.06982	1.0
141.09070	1.2
142.07729	1.4
143.06946	0.8
143.08533	10.3
144.09261	0.8
145.04930	7.8
145.06157	0.5
145.06514	0.3
145.08960	0.7
145.10095	12.1
146.08067	1.0
146.10539	0.3
147.02873	2.2
147.04384	0.5
147.06490	4.3
147.07863	0.8
147.11656	24.4
148.11978	0.7
149.02283	0.5
149.05945	2.4
149.09595	0.5
149.13231	6.1
151.03877	3.6
151.07512	1.0
151.11191	0.7
153.01820	1.0
153.05441	13.9
155.03320	0.4
155.07355	0.4
155.08495	2.0
157.04941	5.2
157.08698	0.7
157.10094	12.9
159.02869	3.2
159.06525	1.6
159.11662	19.0
160.12108	0.5
161.09612	1.0
161.13235	10.0
163.03845	0.5
163.06053	0.8
163.07516	1.3
163.11140	0.5
164.09172	1.8
164.10356	0.3
165.05478	2.0
165.09079	1.8
165.41290	0.3
167.07065	0.7
167.08427	0.5
167.10611	0.3
169.04968	1.6
169.10072	3.5
171.02852	1.4
171.06531	2.8
171.11661	8.5
173.04457	3.7
173.05873	0.6
173.09682	0.3
173.13235	7.1
175.03856	0.4
175.06079	0.7
175.07509	1.3
175.11194	1.3
175.14854	1.7
177.04085	0.4
177.05428	1.9
177.09221	0.6
179.07022	1.2
179.10667	1.1
181.04982	1.9
181.08530	0.3
181.10045	0.8
183.06560	1.8
183.10196	0.7
183.11649	2.9
184.12379	0.4
185.08047	0.5
185.13205	3.7
186.14093	0.5
187.05968	1.2
187.14780	1.4
189.03893	7.9
191.07010	2.6
193.04999	1.8
193.08546	1.0
194.51674	0.4
195.06494	4.2
195.11710	0.9
196.12373	0.7
197.04414	0.8
197.13214	6.1
199.05933	0.4
199.14796	3.8
201.03912	0.5
201.12526	0.4
203.05579	0.5
207.11734	0.6
209.08038	0.8
209.13275	1.1
211.05957	0.7
211.09674	0.4
211.14781	4.3
212.15552	0.5
213.03922	13.4
213.07411	4.1
213.12779	0.4
213.16313	2.2
213.87840	0.4
215.05455	8.4
215.17914	0.7
217.07097	0.5
219.06473	2.1
219.13853	0.4
221.08086	2.0
221.13278	0.5
223.14780	1.2
224.15582	0.6
225.16359	2.9
227.17880	0.8
229.19385	0.5
231.04958	14.4
231.08585	1.5
231.13805	1.0
233.06511	20.1
235.14740	0.9
237.07524	12.7
237.16200	0.6
238.17148	1.5
239.09096	12.0
239.17924	1.1
245.15280	1.1
249.06003	5.3
249.16405	0.8
251.17920	3.7
252.18536	0.5
253.19467	71.1
254.19925	3.9
255.05031	0.8
255.08574	7.1
255.11075	0.6
255.21024	13.3
257.10150	7.7
259.04449	0.4
261.06024	0.8
265.19357	0.6
267.21155	0.6
271.20517	16.8
272.20767	0.6
273.06039	3.0
273.09192	0.5
275.07617	1.6
275.11169	0.6
277.05423	0.4
279.21005	1.4
281.06674	0.9
281.10208	0.5
281.19485	0.6
281.22583	9.0
282.23203	0.9
283.24152	2.3
285.06088	0.7
287.07626	0.9
291.10999	0.3
291.21054	1.8
293.22549	1.1
295.08160	0.5
299.07431	0.6
305.22449	0.9
307.24167	0.5
309.22104	2.3
311.23538	0.7
315.07126	0.8
315.10620	6.8
317.08618	1.0
323.07596	3.8
323.11163	0.6
323.23526	1.6
325.09103	0.9
327.23141	28.2
328.23517	0.9
333.11743	0.7
341.04932	0.7
341.08655	9.4
341.24649	0.6
343.10214	4.4
343.22424	0.4
345.24179	5.6
359.09656	12.2
361.06689	0.8
361.11215	14.5
363.26758	0.5
375.26785	2.2
377.10718	6.8
379.12274	2.3
381.27829	0.5
393.23071	0.6
393.27850	7.3
395.12045	1.6
401.11093	0.5
411.28860	47.4
412.29272	2.5
427.08627	2.1
429.29953	20.3
430.30215	1.1
445.09665	4.7
447.31049	1.2
463.10837	2.7
469.13440	1.7
485.25055	0.5
487.14474	2.4
501.24252	0.5
519.25903	3.3
539.33710	0.5
557.34692	0.5
573.14532	0.9
591.15222	1.0
641.32727	0.5
643.34491	1.2
659.33679	0.8
661.34613	0.4
675.33173	1.5
677.35199	8.0
678.34814	0.5
787.38324	0.5
909.40118	1.2
994.74408	0.4
1055.45605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.03470	4.0
55.05241	1.0
55.05501	17.0
56.05024	7.1
56.05832	0.8
57.05805	0.8
57.07054	1.6
58.06585	5.2
67.02958	0.7
67.05487	3.9
68.05016	19.1
69.03432	0.9
69.04550	3.6
69.07055	49.9
69.37173	8.1
70.04061	1.4
70.06580	77.1
70.07383	2.3
70.21108	0.9
71.06105	10.7
71.06960	1.3
71.07355	5.3
82.05307	0.8
82.06539	1.9
83.06096	4.6
84.05595	1.5
84.08130	8.0
85.07654	9.9
87.62220	0.7
88.00462	4.9
93.04470	0.9
93.07018	0.7
94.06554	9.0
95.06077	8.9
96.05610	2.1
96.06849	6.0
97.00988	5.9
97.06373	2.0
98.00757	1.2
99.51250	3.0
108.51813	1.0
110.07150	7.2
111.02039	0.8
111.04418	1.7
111.05602	3.6
111.06676	4.6
111.07499	4.3
111.09185	100.0
112.05080	2.5
112.08714	71.9
115.96417	2.7
116.97171	1.3
117.95969	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	8.7
81.03400	9.4
81.07041	9.8
83.01312	0.7
83.04963	37.4
83.08600	0.9
85.02887	90.4
86.03221	0.6
87.00810	18.9
87.04447	5.7
89.01195	0.4
91.03931	0.7
91.05454	10.7
92.59007	0.4
93.07026	9.4
95.04958	5.9
95.08582	5.9
97.02873	13.4
97.06509	7.1
97.10196	0.4
99.04440	5.9
99.08096	0.6
101.05984	2.8
103.03913	1.0
103.05398	0.5
105.01132	0.8
105.01846	17.6
105.07013	12.5
107.04957	2.0
107.08574	7.5
109.02853	6.4
109.06496	23.8
109.10133	11.2
111.00792	0.6
111.04422	52.2
113.05984	1.7
115.05426	1.4
115.07552	16.6
117.05496	1.0
117.06986	3.3
119.08554	6.8
121.06511	0.8
121.10123	10.0
123.04404	0.6
123.08038	0.9
123.11673	2.3
125.05939	0.7
125.09620	1.0
127.03894	11.7
127.11156	2.2
128.06171	2.7
129.05453	100.0
129.07001	4.8
130.05765	0.7
130.07770	0.8
131.08539	8.8
133.09167	0.8
133.10107	11.0
135.04416	0.7
135.11650	3.7
137.05936	1.5
141.06940	2.7
142.07747	7.5
143.08543	7.3
144.09221	0.9
144.80424	0.4
145.04944	6.1
145.10097	9.1
145.12050	1.0
147.06488	10.9
147.11661	17.9
149.05969	1.0
149.09570	1.2
149.13222	3.6
151.03854	0.5
151.07558	0.8
151.11136	1.1
153.05420	3.4
155.08510	3.3
156.09296	0.6
157.04935	1.9
157.10095	30.2
158.10413	0.5
159.02875	0.8
159.06512	1.0
159.11661	14.0
161.13225	4.0
163.05969	1.9
163.11177	0.8
165.05478	0.5
165.09041	0.7
167.10648	14.5
169.10115	2.4
169.12152	0.8
171.06541	1.4
171.11652	7.8
173.04482	1.1
173.13222	4.9
175.06010	0.6
175.11151	1.2
175.14780	1.4
179.06941	0.5
179.10631	0.6
179.54420	0.4
181.12286	0.6
182.10907	0.7
183.06497	0.9
183.11673	3.5
185.13206	3.0
187.05943	0.6
187.14804	1.4
189.07552	0.6
193.08601	0.7
195.06461	1.1
195.11674	0.9
196.12376	0.8
197.13213	5.9
198.13945	0.8
199.14774	1.6
201.16434	0.8
203.05418	0.7
209.11594	0.5
209.13327	0.8
211.09576	0.6
211.14798	3.9
213.07521	1.2
213.16289	1.6
215.05472	12.6
221.08025	0.8
223.14694	0.8
224.15569	1.7
225.16379	2.2
227.17911	0.5
229.19495	1.0
231.04936	1.2
231.08597	0.6
233.06519	44.7
234.06828	0.8
237.07549	1.7
237.16426	0.5
238.17101	1.4
239.09065	8.0
249.06122	2.1
251.17899	2.1
253.19473	83.1
254.19765	2.7
255.08571	3.2
255.20996	3.9
257.10196	6.4
269.13745	1.2
269.18799	0.6
271.20517	49.5
272.20813	1.6
273.09641	3.8
275.07520	0.7
275.11090	1.2
281.22543	0.7
283.24152	6.7
291.10587	0.8
309.11725	1.8
317.57837	0.4
343.10187	2.8
359.09647	0.7
361.11179	9.5
379.12305	3.1
379.29800	4.6
397.30923	11.8
397.90448	0.5
398.31161	0.6
399.24976	1.0
401.14246	0.5
415.31992	28.9
416.32339	1.3
433.25690	1.3
485.24606	0.8
541.17401	1.1
559.18011	0.5
559.36298	0.6
577.36951	2.0
587.36047	0.5
665.31146	0.5
723.42828	0.7
725.36981	0.8
807.40985	0.8
809.42395	1.0
811.36450	1.7
869.48145	0.6
935.44373	0.7
955.48529	7.2
956.47021	0.9
972.86725	0.5
1081.50232	0.8
1117.54468	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	112.991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58388	0.3
53.00276	0.3
53.03937	0.7
54.03215	0.4
54.03463	6.0
54.93819	1.5
55.01868	3.4
55.05502	1.3
56.05028	1.6
56.96555	61.4
57.03428	7.2
58.06587	1.9
58.96159	0.3
58.99850	0.9
59.04993	0.5
60.95845	0.4
64.95547	1.9
65.03919	0.5
66.00459	0.3
67.01859	2.7
67.05493	3.0
68.00266	0.6
68.02638	0.6
68.05021	2.2
68.99786	0.6
69.01901	0.4
69.03416	5.6
69.93908	1.6
70.02945	3.0
70.03754	0.6
70.06577	4.0
70.98101	0.9
71.01333	0.7
71.04978	1.7
71.06083	0.3
71.94087	100.0
71.95233	9.5
72.04517	0.8
72.08144	0.5
72.93773	13.2
72.96038	1.9
73.02901	1.5
74.97582	1.4
75.01030	2.2
77.00863	2.6
78.52937	1.4
79.05466	0.7
80.00223	0.5
80.52678	0.4
81.00282	0.6
81.01904	0.4
81.03419	1.7
81.04527	12.9
82.01429	1.1
82.02648	0.5
83.00767	1.0
83.04932	0.8
83.06077	0.7
83.97604	0.4
84.01550	2.9
84.96022	0.7
85.02889	3.6
85.07642	0.4
86.01274	0.5
86.06044	1.7
86.51811	0.7
86.52672	0.7
86.99301	0.5
87.53476	0.4
88.02660	1.3
88.99151	0.7
89.00764	6.0
89.50960	0.4
89.95124	12.7
90.01530	1.6
90.94804	4.7
91.02333	0.8
92.52695	0.5
93.01878	0.5
95.01301	4.1
95.01907	1.3
95.02457	0.6
95.04938	0.9
95.06075	3.7
95.52344	0.4
96.00820	1.5
96.01472	0.7
96.04475	0.5
96.08104	2.8
97.02851	1.5
97.65738	0.4
97.99136	0.4
98.01270	4.6
98.97566	1.8
99.02051	1.1
99.53423	0.6
100.02464	8.3
100.51561	0.6
101.00854	1.6
101.02505	0.6
101.04340	0.3
102.02337	2.0
102.55581	0.3
103.00726	0.3
103.02433	0.5
104.01248	0.4
105.00359	0.7
107.00157	0.4
107.96150	2.9
108.95856	1.4
109.02881	0.9
109.52064	0.5
110.01273	0.5
110.52862	0.3
110.97517	0.4
111.02918	3.4
112.96693	4.4
112.99114	0.8
113.00943	0.8
113.02331	24.9
113.03461	6.3
113.06059	1.4
113.07101	5.7
113.07945	0.9
113.10738	1.3
113.96377	0.8
114.05497	0.8
114.09150	3.3
115.02402	0.9
115.97895	0.3
116.00195	0.4
116.98594	2.8
117.02189	0.4
118.01107	0.6
118.03497	9.5
119.01894	10.1
119.03630	0.6
120.01992	0.3
120.03358	2.2
121.01668	0.7
121.03458	0.6
122.53674	0.9
123.01334	0.5
123.04067	0.4
124.02448	0.4
128.98576	1.2
130.97722	3.9
131.00168	3.2
131.01875	7.4
131.03667	0.6
131.97395	1.0
132.01997	0.3
132.05054	0.5
133.03426	1.6
133.98866	0.4
134.03560	0.4
134.99640	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	1125.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
82.61530	0.2
116.83822	0.2
126.88783	0.2
133.72090	0.2
157.71298	0.2
178.52298	0.2
195.09987	0.2
217.96397	0.2
232.08429	0.2
311.25751	0.3
321.92224	0.2
384.12378	0.2
396.12387	0.3
397.12988	0.9
398.13412	0.5
409.13159	0.3
410.13580	1.0
411.14523	2.6
412.15198	2.1
413.16071	1.3
423.14877	1.0
424.10489	0.4
424.15897	1.6
425.16293	5.6
426.16885	4.7
427.17447	1.3
428.18649	1.0
438.12793	1.1
438.16983	1.1
439.13550	9.0
440.13858	1.1
440.19321	2.9
441.19205	21.7
442.19800	1.9
444.18735	0.2
451.13437	0.4
452.14224	1.8
453.15204	10.6
454.15808	3.6
455.16364	0.3
457.14746	0.5
458.16003	0.4
463.14102	0.6
464.14554	0.3
465.15372	0.4
466.11472	0.3
466.17130	0.4
467.17123	16.8
468.17819	8.5
469.18777	7.2
470.12048	0.3
470.18674	0.8
471.16443	0.6
472.17203	0.3
478.16165	0.4
480.17270	0.7
481.14697	8.4
482.15198	2.7
483.16180	0.2
485.18054	0.7
486.18988	0.3
494.17297	0.4
495.15985	3.4
496.17154	7.5
497.17868	2.3
498.18631	0.3
499.15918	0.4
499.20294	0.5
508.19379	0.7
509.18237	1.7
510.19412	0.3
512.20471	0.7
513.20801	0.3
514.22516	1.8
522.17682	0.7
523.19330	1.1
527.23309	2.4
528.23688	0.4
537.19214	0.6
540.19922	0.5
541.20770	0.2
542.21252	0.8
545.23499	0.3
555.22296	20.3
556.22601	1.9
568.19623	0.3
583.21783	65.0
584.22089	6.3
585.22241	0.5
586.20380	0.6
587.25421	1.1
611.21210	2.1
614.24030	0.7
615.24384	7.0
616.24951	0.4
642.23077	4.6
643.23828	100.0
644.24060	9.1
645.23993	0.3
1124.57104	0.2
1148.06018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	5.0
81.03400	5.6
81.07043	7.6
83.04965	46.3
83.08611	0.8
85.02890	59.6
85.06524	1.1
85.07659	0.5
85.56828	0.5
87.00815	17.6
87.04446	5.4
91.05458	8.0
93.06461	0.4
93.07021	9.5
95.04953	14.8
95.08587	5.7
97.02874	6.3
97.06480	1.3
99.04444	8.7
99.71135	0.6
101.06001	4.4
103.05477	0.6
105.01849	18.4
105.07011	10.3
107.04908	1.5
107.08575	6.5
109.02203	0.7
109.02817	3.6
109.06508	2.3
109.10133	9.3
111.04423	63.7
111.08071	2.3
112.04701	0.7
113.02406	0.6
113.05982	4.2
115.05400	1.2
117.05492	0.9
117.06956	3.8
119.04868	0.7
119.08560	7.5
121.06488	5.3
121.10121	9.0
123.04404	1.7
123.08062	1.8
123.11674	1.0
125.05962	1.5
127.03898	10.3
127.04836	0.7
128.06206	1.4
129.05453	100.0
129.07001	4.8
131.08551	8.4
133.10107	10.8
135.04424	1.3
135.11656	2.6
137.02257	0.7
137.05934	1.2
137.09610	1.1
139.03879	1.0
139.07513	2.2
141.05438	0.9
141.06927	1.8
141.09090	1.4
142.07724	3.0
143.08542	7.6
144.09346	0.9
145.04959	3.6
145.06026	0.6
145.06427	0.5
145.10088	10.8
147.06511	7.1
147.11653	14.6
149.05965	0.8
149.09569	0.9
149.13210	3.6
151.03864	0.9
151.11209	0.8
153.05437	8.4
155.08559	3.3
157.04974	3.0
157.10104	26.6
158.10495	0.6
159.06488	0.9
159.08029	0.7
159.11667	13.2
161.09514	0.8
161.13197	4.2
163.03874	0.9
163.06050	1.0
163.11165	0.7
165.05376	1.0
165.09093	4.0
167.07076	0.7
167.08499	0.9
167.10629	0.6
169.10124	2.3
171.06496	2.1
171.11682	7.8
173.04449	1.6
173.13187	4.6
175.06046	0.7
175.11171	3.3
175.14777	1.1
177.05464	1.2
177.12700	1.2
179.07034	1.2
179.10652	1.7
181.10129	0.8
183.06514	1.2
183.11652	4.1
185.13176	3.5
187.14810	1.2
193.08630	1.4
195.06561	2.2
195.11649	1.7
197.08075	1.1
197.13242	4.9
199.14830	2.0
201.16301	0.6
203.05521	1.5
207.11687	0.6
209.13220	1.5
211.14725	3.8
213.07526	3.8
213.16417	2.0
215.05489	7.5
215.09058	1.3
215.17924	0.8
221.08078	1.4
223.14856	1.2
224.15508	1.8
225.16345	2.4
227.17963	1.8
231.05038	0.8
231.17735	0.6
232.66460	0.6
233.06517	37.1
237.07536	1.2
238.17296	1.4
239.09111	13.8
239.17903	1.3
249.06067	1.5
249.16493	1.0
251.17915	5.9
253.19481	58.5
254.19936	3.0
255.08578	2.9
255.21068	3.8
255.81969	0.5
257.10193	8.4
269.18961	1.7
271.20520	56.7
272.20901	2.0
273.09656	3.2
275.07715	0.9
275.10995	0.6
277.19501	0.7
279.21072	1.5
281.22556	6.9
287.07513	1.2
309.11902	1.5
311.23282	0.9
325.09268	0.7
335.23532	0.7
343.10129	4.8
355.26071	0.7
357.25705	0.7
361.11237	16.1
361.15616	1.2
371.25690	1.6
373.94449	0.5
375.26721	2.7
377.10532	0.6
379.12430	1.6
379.33069	0.6
393.27823	13.0
394.28256	1.0
409.27225	0.8
411.28864	27.8
412.22949	0.5
412.29062	1.3
427.28397	1.1
429.29953	15.1
433.25964	1.3
539.33551	0.6
555.33551	0.6
557.34595	1.8
573.34039	1.9
625.33466	2.0
643.34692	2.8
719.39551	0.7
813.35217	0.6
827.97327	0.7
920.04956	0.7
951.45007	2.1
969.46515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	5.2
81.03400	6.5
81.07034	9.5
83.01308	0.6
83.04963	39.3
83.08601	31.5
83.09120	0.7
84.05325	0.4
85.02887	78.6
85.06519	0.7
86.03220	0.7
86.06042	0.4
87.00809	17.3
87.04450	6.1
87.08088	9.5
91.03938	0.7
91.04913	0.6
91.05459	8.6
93.07022	8.5
95.04950	5.2
95.08585	7.1
97.02869	11.3
97.06524	0.9
97.10125	0.3
99.04436	5.4
99.08046	0.6
101.02342	0.5
101.06008	2.7
103.03884	0.6
103.05459	0.6
105.01845	18.4
105.07008	11.9
107.04967	0.5
107.08569	6.7
109.02848	4.6
109.06490	0.9
109.10135	10.1
111.00826	0.6
111.04420	53.8
111.08055	14.2
112.04704	0.5
113.05984	1.7
113.09641	0.5
115.03928	0.5
115.05430	1.6
117.05470	1.2
117.06992	4.3
119.08556	5.8
121.06451	0.9
121.10119	11.7
123.04394	0.5
123.08041	11.9
123.11676	2.6
125.05938	0.8
127.03011	0.7
127.03898	9.6
128.06186	2.6
129.05452	100.0
129.07004	5.2
129.09087	27.6
130.05739	0.8
130.07800	0.8
131.08545	7.4
133.10101	10.8
134.10452	0.3
135.04430	0.5
135.11673	4.4
137.02258	0.5
137.05971	0.7
139.03911	0.7
139.11148	3.2
141.05426	0.3
141.06953	2.4
141.12720	2.5
142.07755	4.7
143.03380	0.6
143.08539	6.1
144.09363	0.7
145.04929	4.9
145.10091	11.1
147.06494	6.9
147.11653	16.4
149.05940	0.5
149.09648	0.6
149.13229	6.2
151.03874	0.8
151.07545	0.4
151.11205	0.5
153.05414	3.3
155.08502	2.0
157.04918	1.9
157.10097	25.2
158.10442	0.6
159.06487	0.6
159.10349	0.7
159.11671	14.6
159.13812	1.1
160.05170	0.3
161.04523	0.4
161.13226	4.2
163.05995	1.4
163.11171	0.9
165.05460	0.3
165.08997	0.4
165.12674	0.4
167.07063	0.4
169.04877	0.4
169.10114	2.3
171.06567	1.5
171.11656	6.9
171.13052	0.5
173.04427	1.4
173.05829	0.4
173.13220	5.1
175.05920	0.6
175.11176	1.0
175.14813	1.1
177.05453	0.4
179.06985	0.6
179.10490	0.4
181.10127	0.6
181.12183	5.4
182.10881	0.6
183.11668	3.0
183.13252	0.4
185.13217	3.4
187.06062	0.5
187.14796	1.5
189.07588	0.6
189.16400	0.4
193.08623	0.6
193.12262	0.4
195.06470	1.2
195.11711	0.6
195.13734	0.6
196.12486	0.4
197.04349	0.4
197.13217	4.8
199.14757	1.7
201.16364	1.2
203.05367	0.5
209.13235	1.0
210.14165	0.4
211.14784	3.8
212.15532	0.4
213.07535	1.7
213.16328	1.6
215.05463	22.1
215.17960	0.9
217.06975	0.7
221.07919	0.8
223.13153	0.8
223.14990	0.6
224.15564	1.3
225.16309	1.8
225.42458	0.3
227.17947	1.1
229.07057	0.4
229.19496	1.3
231.08612	0.6
233.06514	52.8
234.06892	0.9
237.07512	1.3
238.17111	1.1
239.09093	7.7
239.12744	0.6
239.17912	0.5
241.19424	0.4
243.08453	0.4
249.05998	1.4
251.17862	1.8
253.19469	72.3
254.19870	2.7
255.08572	3.9
255.21063	5.5
257.10153	7.2
265.14438	0.4
265.19470	0.5
269.18896	0.7
271.20511	43.5
272.20844	1.3
273.09662	4.0
275.07590	0.7
275.11151	0.8
281.22626	0.9
283.15369	1.2
283.24127	11.0
284.24478	0.5
291.10791	0.7
309.11716	1.5
317.08582	0.5
343.10114	3.1
361.06714	0.7
361.11209	11.8
375.30515	0.5
379.12259	3.1
393.31433	4.5
399.25143	0.5
401.14584	0.6
411.32501	14.0
412.32867	0.5
417.26376	0.4
429.33575	43.6
430.33862	1.5
433.25745	0.9
485.25113	0.9
505.15802	0.3
537.35565	0.4
555.36700	1.4
557.38086	0.3
559.18408	0.5
573.37231	0.9
579.31635	0.4
591.38727	3.4
592.38953	0.5
737.44122	1.1
811.36932	1.3
821.42987	1.5
823.44550	1.7
923.05731	0.4
949.45459	0.4
951.47809	1.0
969.32043	0.7
969.50299	11.4
970.49738	1.2
1095.51904	0.6
1131.55933	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	1133.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05470	6.3
81.03394	5.3
81.07034	8.2
83.01300	0.5
83.04958	43.6
83.08602	0.7
84.05267	0.3
85.02882	91.7
85.06514	1.0
86.03199	0.8
87.00803	20.9
87.04437	4.8
91.03919	0.5
91.05448	10.5
93.03372	0.3
93.07020	10.1
95.04945	8.8
95.08571	5.8
97.02865	9.3
97.06514	1.7
99.04429	5.3
99.08077	1.2
101.02358	0.3
101.06002	2.5
103.03928	1.1
103.05418	1.2
105.01838	17.5
105.04482	0.3
105.06997	13.6
107.04944	1.0
107.08566	7.5
108.60152	0.2
109.02851	4.0
109.06490	2.2
109.10126	11.3
111.00815	1.2
111.04411	56.3
112.04736	0.5
113.05971	1.6
115.03860	0.5
115.04684	0.3
115.05420	1.9
115.07536	2.1
116.06174	0.6
117.05462	0.9
117.06982	4.1
119.04922	0.5
119.08547	7.9
121.06467	1.0
121.10113	11.2
123.04369	1.1
123.08005	0.6
123.11675	1.4
125.02311	0.4
125.05954	0.8
125.09597	2.4
127.03879	7.8
128.06186	2.7
129.05443	94.9
129.06828	7.2
130.04929	0.2
130.05743	1.2
130.07693	0.8
131.08530	9.7
133.06493	0.4
133.10094	13.7
134.10448	0.4
135.04355	0.6
135.07986	0.3
135.11662	2.2
137.02341	0.3
137.05977	0.6
137.09578	1.0
139.03841	0.7
141.05394	0.3
141.05811	0.4
141.06935	4.1
142.07745	8.0
143.03346	0.5
143.08527	8.4
143.10609	0.6
144.09351	0.6
145.04921	4.5
145.06386	0.5
145.10091	11.4
147.02856	0.4
147.06482	8.0
147.08000	2.7
147.11646	18.7
148.11954	0.4
149.05992	0.7
149.09578	0.7
149.13174	2.1
151.03848	0.6
151.07494	0.6
151.11168	0.8
153.05424	3.5
153.06758	0.4
153.09039	0.7
154.07661	0.3
155.08499	3.6
156.09299	0.7
157.05005	1.7
157.10088	32.7
158.10565	0.5
159.06482	0.7
159.08006	0.5
159.11655	15.7
160.12030	0.2
161.05942	0.4
161.09586	0.4
161.13196	2.9
163.03864	0.4
163.05972	1.3
163.07300	0.4
163.11053	0.5
165.09070	1.8
167.07095	0.5
167.08543	0.7
167.10638	0.4
168.09254	0.5
169.04929	0.5
169.10059	3.4
171.02797	0.3
171.06549	1.1
171.11646	8.9
172.12103	0.3
173.04424	1.1
173.13226	4.2
175.05969	0.6
175.07425	0.3
175.11192	1.6
177.12654	0.5
179.06993	0.6
181.04921	0.3
181.10129	1.0
181.12175	0.5
182.10843	0.8
183.06502	0.3
183.10106	1.5
183.11661	4.5
184.12283	0.5
185.13202	4.3
186.13892	0.6
187.06026	0.4
187.14738	1.1
189.07553	0.6
193.08492	0.5
193.10092	0.4
195.06435	1.1
195.11626	1.7
196.12411	0.8
197.04391	0.6
197.11397	0.4
197.13196	6.1
198.13890	0.6
199.05919	0.4
199.14796	2.5
201.16304	0.5
203.05458	0.9
207.06563	0.3
207.09976	0.4
207.11693	0.4
209.13252	2.0
210.13857	0.3
211.14780	4.7
212.15440	0.6
213.07507	1.5
213.16319	1.5
215.05438	33.9
215.14232	0.4
215.17848	0.5
216.05756	0.4
217.07069	0.6
221.07991	0.7
221.13115	0.5
223.14778	1.2
223.16629	0.3
224.15508	1.4
225.07510	0.3
225.11122	0.4
225.16330	2.8
229.06877	0.4
229.19441	0.3
231.08470	0.5
233.06496	55.9
234.06920	0.6
235.14755	0.8
237.07433	1.2
237.16254	0.5
238.17136	2.0
239.09077	7.8
239.17831	1.1
249.05994	1.2
249.16377	0.4
251.17879	3.7
252.18599	0.4
253.19449	100.0
254.19792	3.1
255.08620	2.3
255.21017	2.1
257.10129	6.2
261.16266	0.4
263.17899	0.4
265.19437	0.8
269.18912	0.9
271.20490	56.8
272.20831	1.5
273.09644	2.8
275.07596	0.4
275.11185	0.8
275.20203	0.3
279.20834	1.2
281.22565	4.2
287.07611	0.4
289.19403	0.2
291.10690	0.8
291.20914	0.5
297.22144	0.4
307.20279	0.3
309.11707	2.0
313.21512	0.4
325.09045	0.5
343.10168	2.9
347.27252	0.3
361.11206	10.6
362.11435	0.3
365.12305	0.4
365.28342	1.0
377.10602	0.9
377.28317	4.5
378.27902	0.3
379.12268	2.3
379.29636	0.3
383.29221	1.0
395.29361	17.7
396.29681	0.8
397.31073	0.3
399.24936	0.3
401.14536	0.4
401.30478	2.6
411.28259	0.4
413.30417	26.3
414.30627	1.5
415.32001	0.4
419.29028	0.6
431.31473	10.8
432.31757	0.4
433.25821	1.5
437.30093	0.4
485.25024	0.7
503.25568	0.3
521.32349	0.9
523.33466	0.3
539.33191	0.5
541.35553	0.4
557.34442	0.7
575.35364	1.5
579.30920	0.7
593.36230	0.9
627.34857	0.5
665.31152	0.8
721.40997	0.7
773.39722	0.3
791.40967	0.4
807.40851	0.9
811.37787	1.3
849.69519	0.3
923.45343	0.3
941.46014	0.5
951.44208	0.4
953.47131	27.7
954.47424	2.2
1004.71161	0.3
1079.48840	0.9
1097.50366	0.4
1133.52478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48150	1.9
56.96558	81.3
58.95412	29.9
59.06109	3.7
62.56106	1.9
70.29663	8.7
71.95254	11.7
72.87834	2.4
74.93150	3.3
76.92856	18.4
95.01240	1.8
98.97564	100.0
99.50854	1.8
99.97995	2.2
100.02460	3.8
116.98602	98.3
117.99041	10.1
118.03481	4.1
134.99631	71.6
136.00081	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	116.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48150	1.9
56.96558	81.3
58.95412	29.9
59.06109	3.7
62.56106	1.9
70.29663	8.7
71.95254	11.7
72.87834	2.4
74.93150	3.3
76.92856	18.4
95.01240	1.8
98.97564	100.0
99.50854	1.8
99.97995	2.2
100.02460	3.8
116.98602	98.3
117.99041	10.1
118.03481	4.1
134.99631	71.6
136.00081	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	118.0651
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
51.28026	0.8
51.83457	0.7
53.03924	3.4
53.06386	0.8
56.05015	3.7
58.02942	3.2
58.06587	2.9
59.06112	12.2
60.04519	5.3
65.03916	2.8
65.10937	1.0
71.67747	1.3
72.04500	5.7
72.08153	4.1
74.06057	1.8
75.05590	1.2
76.93344	6.8
87.05573	1.6
90.04249	0.8
91.05464	68.2
94.94389	1.5
95.04951	8.1
100.03944	1.2
103.05443	1.4
105.04522	1.7
117.05740	4.9
117.06985	1.1
118.06523	100.0
119.04963	1.8
119.06042	2.6
119.06871	2.7
119.08542	3.6
132.64865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03920	0.7
59.06113	9.4
60.04523	1.5
61.02911	0.7
65.03932	17.9
66.04256	0.3
71.67808	0.3
74.06046	0.9
78.93104	0.4
79.02967	0.3
79.05465	1.7
87.05573	2.1
91.05465	100.0
92.04990	2.3
92.05792	3.3
93.04533	0.4
93.07036	1.4
95.04935	1.0
96.04391	0.3
96.05318	0.4
102.05543	0.3
103.05450	3.3
104.06264	1.9
107.77139	0.3
109.06493	0.7
111.04392	0.3
115.05426	0.7
117.06998	4.9
119.04926	23.9
119.06009	1.7
119.06813	0.8
119.08562	14.0
120.04436	1.7
120.05513	3.2
120.08079	1.9
120.08855	0.7
127.78993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03933	1.6
54.04271	0.4
57.04123	0.3
59.06116	7.6
60.04523	0.8
63.02375	0.5
65.03930	15.7
67.05471	0.4
69.97551	2.2
74.06066	0.5
77.03526	0.7
78.04700	0.5
79.05486	3.3
87.05573	2.1
91.05466	100.0
92.04979	2.1
92.05793	2.9
93.04514	0.4
93.07030	1.7
95.04962	2.2
96.05283	0.6
103.05450	5.3
104.06242	3.9
105.04489	0.8
109.06488	1.0
115.05442	2.3
117.06997	7.7
119.04932	20.0
119.06014	2.1
119.06807	1.0
119.08559	26.2
120.04440	1.2
120.05515	2.7
120.08088	2.8
120.08888	0.8
125.86559	0.4
129.04485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02371	0.6
53.03944	2.8
54.96561	0.4
56.05033	0.4
59.06115	6.4
60.04517	0.7
65.03931	7.7
66.40235	0.5
67.05508	0.8
68.64748	0.4
71.45396	0.5
71.45735	0.7
72.91582	0.4
74.06066	0.5
77.03911	1.0
78.04707	1.6
79.05029	0.5
79.05484	7.5
87.05576	1.4
91.05463	100.0
92.04987	1.8
92.05800	3.9
93.07028	4.5
95.04956	5.0
96.05289	0.5
101.03947	0.4
102.04691	0.5
103.05453	10.6
104.06237	11.5
105.04498	1.2
105.06499	0.4
109.06506	1.0
110.32091	0.4
115.05439	5.3
117.06998	16.5
118.07347	0.5
119.04933	5.1
119.06051	1.3
119.08559	73.1
120.04460	0.7
120.05584	1.8
120.08066	2.1
120.08913	3.2
121.06496	0.6
129.56523	0.4
131.06044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02366	0.7
52.64717	0.5
53.03931	2.7
54.04268	0.5
59.06116	0.9
65.03934	4.7
69.72015	2.2
69.72448	1.2
77.03923	0.6
78.03440	0.5
78.04688	1.1
79.05477	6.2
91.05463	100.0
92.04996	1.3
92.05800	3.1
93.07027	6.0
95.04953	4.5
96.05299	1.3
102.04643	0.6
103.05451	14.3
104.06239	11.7
105.04490	0.6
109.06505	1.4
115.05436	6.2
117.06999	33.1
118.07344	1.5
119.04912	2.1
119.06055	2.4
119.08557	68.0
120.04435	1.3
120.05571	1.9
120.08083	1.2
120.08891	2.6
121.06481	0.9
131.06030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.58538	0.3
53.03941	1.7
54.04271	0.3
58.32296	0.4
63.44547	0.3
65.03933	3.7
67.05486	0.5
69.40089	2.7
69.40497	0.7
77.03506	0.4
78.04688	0.8
78.93082	0.3
79.05475	4.0
86.17052	0.3
91.05466	100.0
92.05000	1.0
92.05791	2.9
93.07030	2.7
95.04954	2.1
96.05269	0.9
103.05457	5.6
104.06240	7.3
105.04502	0.5
109.06514	0.8
115.05447	3.2
117.07001	10.9
118.07351	0.5
119.04912	1.1
119.06044	1.9
119.06854	1.5
119.08560	34.7
120.04447	0.8
120.05562	1.1
120.08064	0.9
120.08913	1.2
138.81380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03937	2.5
53.31908	0.6
54.04276	1.5
60.93836	0.5
62.99273	0.6
63.85839	0.6
65.03941	5.1
70.60556	2.5
78.04697	1.0
79.05477	7.9
91.05465	100.0
91.28789	0.6
92.05810	2.5
93.07040	3.9
95.04932	3.8
96.05280	2.5
103.05454	7.5
104.05569	0.7
104.06236	10.3
105.04499	1.2
109.06512	1.6
111.24816	0.6
115.05460	4.7
117.07001	24.7
118.07404	0.7
119.04966	2.9
119.06076	1.2
119.06818	3.2
119.08559	45.7
120.08898	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01867	5.5
55.05494	3.9
56.96556	95.0
57.03425	2.9
58.99854	2.5
60.04529	2.9
60.95847	9.8
60.99607	1.3
65.03925	10.6
67.05486	5.1
69.03421	28.6
69.52633	1.0
70.03739	4.1
70.06799	6.5
71.04986	2.0
71.95263	8.9
72.02841	1.8
72.04510	1.1
74.06063	2.0
74.97586	1.4
77.00868	3.4
78.00913	1.2
78.04676	1.4
79.02991	2.1
79.05498	2.8
79.52823	1.9
80.06279	1.1
80.52698	1.3
80.79315	1.0
81.03393	4.3
81.04504	1.3
82.01418	2.4
83.00777	1.8
83.04967	2.6
84.01192	3.0
84.96018	1.8
86.52702	1.5
86.67579	1.2
87.02762	1.3
88.03542	1.6
88.53336	1.8
91.05464	7.3
92.04984	3.5
92.05786	4.3
93.01881	1.3
93.04520	2.3
93.07030	4.1
94.03539	2.2
94.53295	1.4
95.01323	1.1
95.04950	4.9
95.08620	1.3
96.50559	6.6
97.00500	3.5
97.01691	1.7
97.02835	1.2
97.99144	1.3
98.97570	29.1
100.02455	21.1
101.00860	3.3
101.02542	14.8
102.02227	20.1
102.96854	6.0
103.00546	1.3
103.02411	6.7
103.05441	3.0
103.29667	1.2
103.53778	2.5
104.01319	1.4
105.02110	3.5
105.03393	1.7
105.53434	1.6
106.00999	4.2
106.02647	5.7
106.04173	1.6
106.52748	1.5
106.54224	1.2
107.02523	1.6
108.03289	1.4
108.05106	1.6
111.04421	13.8
115.97024	4.8
116.03102	2.6
116.98601	35.6
117.05640	2.0
117.53518	2.8
117.98923	1.3
118.01005	3.4
118.03500	17.1
119.01903	29.8
119.03586	12.7
120.01981	15.9
120.03245	18.5
120.04472	4.1
120.05563	12.8
120.08056	3.4
120.08862	1.6
120.97897	8.7
121.01644	10.6
121.02774	2.5
121.03481	5.4
121.06460	3.8
122.03610	1.3
123.03213	4.4
124.97558	22.6
127.01515	5.1
127.04137	1.5
131.01888	2.3
133.03508	2.7
133.06395	1.2
133.98071	100.0
134.03523	2.6
134.99635	45.6
135.03159	1.4
136.04477	1.1
136.48332	5.7
137.02942	18.8
138.03030	10.8
138.98900	12.0
139.02673	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01589	0.5
51.02359	2.0
52.63582	0.3
53.03938	21.2
54.04276	0.5
55.01870	2.7
56.96550	3.7
57.03423	0.4
64.40759	0.3
65.03920	1.7
68.99797	0.4
69.03423	0.5
70.98117	0.4
71.42014	0.9
71.42355	0.4
72.94289	0.3
77.03909	4.9
78.04678	0.6
79.05493	0.7
81.03410	2.5
83.00766	0.6
84.96031	0.4
91.05462	73.6
92.01276	0.6
92.05785	1.6
93.07024	65.2
94.04146	0.7
94.07358	1.0
95.04948	46.7
96.05280	0.8
97.00530	0.6
98.97571	2.2
102.04688	2.0
102.05261	0.3
103.05447	100.0
104.05781	2.9
105.04491	10.2
116.98600	1.0
119.01828	0.4
119.04913	0.5
121.06482	98.2
122.06824	2.6
134.99591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02363	4.5
52.64444	1.1
53.03936	37.6
54.03459	11.2
55.01850	4.0
55.05502	1.9
56.96554	2.3
58.02957	1.2
65.03931	16.9
67.05486	5.3
70.06597	2.1
70.40133	4.7
72.77016	1.3
77.03917	3.3
79.05482	21.9
80.05000	2.9
81.03404	3.0
81.04525	22.1
82.05309	15.0
85.14886	1.2
91.05467	94.6
92.05785	3.4
93.03401	2.7
93.07028	80.7
94.06558	6.0
94.07377	1.8
95.04954	63.8
95.06064	5.9
102.04655	1.9
102.12862	1.4
103.05453	100.0
104.05025	2.0
104.05785	4.5
105.03384	2.3
105.04498	17.0
105.07012	33.3
106.07827	2.5
107.04881	1.5
107.07322	5.3
111.04419	4.0
112.03943	2.9
119.08582	4.0
120.05576	2.1
121.02882	14.4
121.03990	10.9
121.06493	93.1
121.10098	18.0
122.06045	9.2
122.07135	79.9
122.09627	8.6
123.08075	3.5
133.07576	1.5
135.72621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02362	3.1
53.03941	27.7
55.01855	3.4
56.05088	1.2
65.03933	10.9
66.04706	4.2
67.05482	2.4
71.40359	2.0
72.73981	1.4
77.03905	4.5
78.04705	11.7
79.05077	1.4
79.05484	8.0
81.03416	2.9
81.04535	2.9
89.06140	1.0
91.05466	96.0
91.61330	1.3
92.05800	2.6
93.07033	57.1
94.03644	1.1
94.04160	6.9
94.07378	1.8
95.04954	53.1
96.05252	1.4
102.04694	2.3
103.05453	92.1
104.05797	3.5
105.04507	12.8
105.07008	9.3
106.04156	2.7
106.19737	1.1
107.07339	1.2
111.04441	2.2
112.03958	1.2
117.61349	1.1
121.02878	5.5
121.03983	4.3
121.06490	100.0
121.10126	4.3
122.05996	2.8
122.07096	14.1
122.09658	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	0.9
53.03938	8.4
54.03462	1.9
55.01857	1.3
55.05491	1.3
56.96554	1.0
58.02936	0.7
65.03928	4.6
66.04273	0.6
67.02955	0.6
67.05485	2.1
71.70213	0.7
77.03905	1.3
79.05481	41.2
80.05005	0.7
80.05811	1.3
81.03403	1.6
81.04526	4.0
81.07059	0.7
82.05304	2.2
83.89543	0.5
91.05468	21.9
91.06045	1.1
92.05776	0.9
93.07030	21.6
94.06548	2.1
94.07355	0.9
95.04951	20.3
102.98127	0.6
103.05453	23.4
104.04967	0.6
104.05789	1.1
105.04529	3.9
105.07013	100.0
106.07216	1.4
106.07890	7.0
107.07300	2.0
111.04435	1.3
112.03975	1.5
116.54215	0.7
118.06474	0.5
119.08561	13.2
121.02857	5.3
121.04016	3.1
121.05096	0.8
121.06494	20.7
121.10126	46.6
122.06032	5.0
122.07130	14.7
122.09648	5.2
122.10490	2.5
123.08056	11.6
133.07608	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	121.1011
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02352	3.0
51.60641	0.7
53.03938	21.5
54.03461	8.9
55.01841	2.6
55.05485	3.0
65.03682	0.6
65.03931	7.4
67.02973	0.9
67.05491	5.6
68.04987	1.6
70.06563	2.1
71.03939	1.1
77.03897	4.9
79.05478	50.0
80.04999	0.8
80.05804	2.5
81.03398	2.3
81.04524	17.2
81.05808	0.8
81.07033	2.0
81.15941	0.7
82.04869	1.4
82.05311	14.5
91.05462	63.8
92.05787	3.4
93.04531	0.8
93.07026	64.7
94.06532	5.6
94.07357	3.2
95.04948	46.6
95.06027	7.5
102.04665	1.0
103.05447	61.5
104.05042	0.7
104.05768	3.7
105.04501	11.9
105.07010	100.0
106.07269	3.1
106.07921	7.2
107.04833	1.4
107.07317	3.9
111.04433	2.1
112.03996	0.8
119.08559	15.7
120.05657	1.4
121.02876	5.2
121.03990	2.1
121.06488	69.7
121.09370	1.0
121.10118	43.7
122.06053	5.1
122.07133	70.6
122.09640	5.1
122.10481	2.8
123.08052	13.1
124.49971	0.7
133.07593	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	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49860	0.5
58.99850	1.0
59.36032	0.5
70.91268	1.0
82.01427	10.9
82.99796	1.4
94.88066	0.4
100.02467	50.8
101.00859	20.6
101.01530	1.0
101.02522	2.7
112.45316	0.4
118.03500	31.5
118.35928	0.5
119.01899	100.0
123.04034	1.5
123.05515	0.7
133.45276	0.5
137.02936	33.0
141.05035	0.8
142.03474	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	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.7
55.29435	0.5
55.70498	0.4
57.03409	1.3
58.99845	1.1
60.94116	0.4
61.22094	0.4
68.02653	0.5
69.03405	1.0
71.49750	0.5
73.02901	0.8
77.00880	1.1
81.03382	1.7
82.01425	6.5
82.99814	1.2
84.53017	0.5
99.53428	0.7
100.02464	32.7
101.00858	14.3
101.02576	1.5
109.02862	0.6
111.51997	0.5
113.22045	0.5
117.23455	0.4
118.01128	1.4
118.03501	18.9
119.01895	100.0
121.01593	0.7
121.02374	0.6
123.04051	0.6
124.02407	0.9
131.01881	2.3
131.27345	0.5
137.02928	47.2
141.02682	0.8
141.47769	0.5
142.03467	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	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01585	0.9
51.02369	5.2
53.03939	7.9
54.03460	0.9
55.01854	1.9
56.05019	0.6
65.03929	1.7
67.05496	10.3
68.05018	1.0
71.07990	1.2
72.32020	0.4
77.03917	12.8
78.04258	0.5
78.04693	1.4
79.05477	1.1
80.05001	5.6
81.03426	0.8
81.04534	1.0
81.07052	3.2
83.06085	1.9
93.07008	0.6
95.04955	27.7
95.08571	0.8
96.04475	3.4
96.05272	1.2
97.07650	1.1
99.95444	0.5
100.02467	1.5
105.03384	16.0
105.04443	2.8
106.03753	0.6
107.06067	0.9
108.05721	0.6
112.03956	1.3
118.03516	1.1
119.01904	1.9
123.04416	100.0
123.05479	8.1
123.60886	0.4
124.03925	7.7
124.04775	3.1
124.07584	0.5
124.08690	2.7
137.02908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01590	0.8
50.27271	0.5
51.02370	5.4
52.93916	0.5
53.03939	8.2
54.03444	0.6
55.01863	1.3
57.71062	0.5
65.03929	0.8
67.05495	9.0
69.61278	0.6
69.75667	4.2
75.16393	0.5
77.03915	11.9
78.04692	1.3
79.05474	0.9
80.05000	4.1
81.03397	0.8
81.04514	0.7
81.07047	3.6
83.06092	0.9
95.04956	28.1
96.04478	2.6
96.05274	1.1
100.02469	1.0
105.03377	13.1
105.04465	3.2
107.55872	0.6
108.05701	0.8
112.03951	1.1
118.03446	1.0
119.01922	1.4
120.58307	0.6
121.55838	0.6
123.04414	100.0
123.05467	6.2
123.08057	1.4
123.11691	0.7
124.03928	6.1
124.04772	3.9
124.08736	1.4
126.11259	0.6
138.15309	0.6
142.59169	0.5
142.76375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02379	2.3
53.03944	15.1
54.03467	4.0
55.01864	2.8
55.05506	16.7
56.05022	9.1
58.06597	1.6
65.03927	3.9
66.03453	2.0
67.05498	70.7
68.05019	5.7
68.05825	2.2
69.03419	1.5
69.04556	1.5
69.07063	0.9
70.06591	3.0
71.38382	0.9
71.38723	1.7
73.87165	0.8
77.03931	3.2
78.03459	2.1
79.05482	13.7
80.05007	45.3
80.06281	2.1
81.03415	2.9
81.04530	9.7
81.05325	1.1
81.07048	33.3
82.04855	1.5
82.05326	1.7
82.06564	1.3
82.07378	1.2
83.05654	0.9
83.06095	14.8
83.06564	1.1
84.06882	1.1
91.05467	2.1
93.06487	1.7
93.07036	13.0
95.04958	100.0
95.08595	66.3
96.04493	25.1
96.05297	3.9
96.08125	1.8
96.08939	2.5
97.07643	9.5
100.02483	9.1
101.00887	1.3
103.05510	0.8
105.03403	2.4
105.04496	6.0
105.07024	8.2
106.02882	1.1
106.06571	0.9
107.04959	2.6
107.06075	11.2
108.05727	21.7
110.94318	0.7
112.03966	11.3
118.03493	8.7
119.01912	5.9
121.06520	2.7
121.10161	0.9
123.04451	29.1
123.05563	54.9
123.08083	41.4
123.09037	1.9
123.11675	6.1
124.03942	74.7
124.05869	1.5
124.07616	3.1
124.08704	22.3
137.02979	2.9
140.03378	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	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.4
58.99866	0.4
60.00650	0.2
70.87193	0.5
77.00885	0.2
82.01417	0.2
82.99803	0.7
83.01498	0.3
84.01177	0.3
100.02477	1.3
101.00864	14.1
101.02535	3.2
101.77129	0.1
102.00948	0.9
102.02213	1.8
111.95177	0.1
113.82977	0.2
118.03511	0.8
119.01901	100.0
120.01984	6.6
120.03127	1.0
121.02325	0.4
124.02449	0.5
124.04008	0.3
133.03500	0.2
137.02936	43.8
138.03009	2.8
139.03360	0.4
142.02367	0.3
142.03482	6.7
143.03691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03928	1.2
64.92530	0.2
68.05009	0.8
70.22599	1.0
78.03442	2.5
79.04182	0.3
79.48537	0.2
79.90054	0.2
80.05000	22.4
81.05335	0.4
82.30551	0.2
82.96468	0.2
83.06071	0.5
96.04472	18.3
97.04808	0.4
97.07615	0.3
101.00838	0.3
112.03992	0.3
119.01900	1.9
120.02021	0.2
122.02386	0.2
124.03928	100.0
125.04281	3.3
137.02931	0.7
140.03409	0.9
142.03491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.065
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03926	1.5
55.02961	0.9
55.05491	1.6
56.04790	0.4
56.05024	4.4
56.96549	2.5
57.03418	0.7
57.04548	0.4
57.07051	0.7
58.06573	0.5
59.06104	1.4
60.04528	0.4
66.47868	0.3
67.05474	1.3
68.05017	0.7
69.03418	40.7
69.07055	4.6
70.03739	1.1
70.05025	2.1
70.06583	2.9
71.04960	1.0
72.04499	1.2
72.07762	0.5
72.08140	5.9
72.93777	0.4
73.04015	0.5
74.09703	0.4
82.06570	3.0
83.02426	0.5
84.04489	22.2
84.08128	27.0
85.02878	0.8
85.03986	0.7
85.07649	1.1
85.08455	0.5
86.06047	0.8
88.07629	0.6
90.01537	0.4
90.04273	0.6
91.05457	1.2
94.06548	0.7
95.04942	3.2
98.97583	0.8
103.05452	15.1
104.05750	0.5
105.04491	0.7
112.07584	87.0
113.07169	0.6
113.07922	2.5
116.06274	0.4
116.98547	0.6
118.09966	0.4
119.01798	0.5
128.04944	2.2
130.02167	0.9
130.06508	100.0
130.08588	16.2
130.13383	0.3
130.15851	0.4
131.03358	0.4
131.04892	1.3
131.06015	0.4
131.06851	4.4
131.08463	0.6
134.42538	0.4
141.45975	0.4
146.05978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01841	0.6
55.02996	0.7
55.05496	1.6
56.05022	3.8
56.96554	1.3
57.03430	1.1
57.07067	31.1
58.07403	1.1
59.06122	2.9
60.04517	0.7
67.05476	1.6
68.05000	0.7
69.03423	46.5
69.07059	5.6
69.07821	0.7
70.03754	1.7
70.06577	3.9
71.04992	1.0
71.68395	0.9
72.04498	2.3
72.08144	9.7
74.09706	19.1
82.06562	2.9
83.02410	0.9
84.04494	27.0
84.08130	31.3
85.02906	0.8
85.04841	1.6
85.07655	4.2
85.08456	1.2
86.06074	0.9
87.09215	1.4
88.07597	0.6
88.93149	0.5
89.90665	0.5
91.05464	5.9
94.06532	1.6
95.04949	1.6
98.04806	0.8
103.05460	14.5
112.05075	1.5
112.07591	100.0
113.05910	0.7
113.07123	2.7
113.07920	5.5
116.06215	2.2
128.04919	0.6
129.07013	0.9
130.02156	1.9
130.05000	1.3
130.06523	17.0
130.08627	18.9
130.09671	1.8
130.15901	38.0
131.04897	1.8
131.06877	1.0
131.08511	4.7
131.16243	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	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
54.79372	1.4
56.05037	2.0
57.03418	5.4
69.03428	2.0
70.03742	2.4
71.69445	1.8
84.04505	3.2
85.04826	9.4
85.08469	3.3
86.09682	3.1
91.05464	100.0
92.05794	3.6
103.05444	15.0
111.40340	1.5
113.07923	9.8
113.66411	1.4
115.05424	6.5
116.06229	22.9
117.05738	2.6
117.16144	1.4
128.06244	1.4
129.07001	13.6
131.04904	3.5
131.06897	3.5
131.08543	63.8
132.04439	2.3
132.06552	2.7
132.08035	5.7
132.08931	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0806
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02367	1.2
53.03943	5.1
55.01856	0.7
56.05032	1.0
57.03407	1.8
57.04545	1.3
58.00647	0.5
58.02938	2.2
58.05339	2.9
58.06579	2.0
58.26458	0.6
59.06107	1.0
65.08971	0.6
68.05010	0.7
69.03400	1.3
69.04558	0.7
69.07034	0.8
70.06599	0.8
70.32697	0.5
71.04971	2.2
71.06109	0.7
72.04505	1.7
72.08136	1.7
72.93774	2.1
73.04019	1.2
74.06055	1.1
75.05596	6.1
76.03998	0.7
77.03902	1.4
79.05479	4.5
84.05630	0.8
85.04015	1.3
86.06057	1.3
86.09701	3.9
87.05568	2.1
90.90372	1.8
91.05019	0.7
91.05474	5.6
92.05730	0.8
93.05777	1.8
95.04951	2.7
98.21489	1.1
103.05457	3.5
104.04986	7.3
105.03394	1.8
105.04457	0.8
105.07019	25.3
106.06531	1.4
106.07250	0.7
110.51343	0.6
112.75736	0.7
114.08194	0.6
115.05451	21.8
117.05743	62.3
118.06089	2.4
118.07787	0.6
118.67283	0.6
130.06520	8.3
131.07323	7.1
132.04449	9.2
132.08069	100.0
133.02827	2.2
133.05035	0.9
133.06439	6.1
133.07576	2.3
133.08485	4.3
133.10109	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	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03923	0.4
55.01861	0.4
56.96553	5.9
57.03417	0.8
57.05796	0.2
57.52902	0.2
58.06580	0.3
60.95838	0.7
61.02921	0.3
69.03410	0.3
69.07053	6.6
70.00668	1.3
70.98103	0.3
71.04993	0.3
71.95251	0.3
72.04514	0.2
73.02901	0.3
84.00622	0.2
84.25053	0.2
85.02901	0.2
86.09688	100.0
87.10010	3.6
91.02310	0.3
92.01143	0.3
93.02048	0.3
98.97559	1.6
99.04396	0.4
104.01231	0.3
105.02019	0.3
105.07014	0.7
110.01257	0.2
116.98626	0.8
117.05754	0.5
118.01025	0.4
119.01859	0.5
127.01486	0.2
127.03893	0.2
132.08070	0.8
132.10167	1.0
133.06432	0.4
134.99608	0.4
149.01295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.67727	0.5
53.03930	2.2
54.07700	0.4
55.05496	2.1
65.03947	0.7
67.05495	1.3
71.28549	1.1
79.05487	5.3
91.05470	16.8
92.05815	0.7
93.07032	1.5
95.04967	1.2
103.05457	2.7
105.07016	100.0
106.06548	1.4
106.07354	4.5
115.05458	1.6
117.06992	1.0
118.07832	1.0
123.07895	0.6
131.08543	4.1
133.02812	0.7
133.06467	4.4
133.07507	1.2
133.10112	20.1
134.06021	4.5
134.09563	0.7
134.10454	1.5
146.85533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1008
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03942	0.5
55.05506	0.8
65.03931	2.0
70.00885	1.1
70.01301	1.2
71.20811	0.3
77.88148	0.4
78.04699	0.9
79.05478	3.7
91.05463	100.0
92.05791	4.5
95.04941	0.5
103.05441	3.1
104.06234	15.4
105.07020	21.9
106.06540	0.7
106.07360	1.1
115.05398	0.5
117.07001	0.9
118.07783	0.5
131.08548	1.3
133.02716	0.4
133.06459	1.1
133.07532	0.8
133.10106	11.8
134.06001	1.1
134.10495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	2.5
55.01880	0.6
55.05507	2.3
57.67366	0.4
65.03930	1.1
67.05490	1.0
68.02924	0.4
69.66184	2.5
77.03922	0.6
79.05485	10.1
91.05466	27.4
92.05785	1.6
92.94917	0.4
93.07032	7.2
95.04974	2.3
103.05453	5.2
105.03421	0.7
105.07015	72.3
106.06612	0.7
106.07329	3.9
107.08578	1.5
115.05442	8.4
116.06291	2.1
117.06277	0.7
117.07014	10.2
118.07789	10.0
118.08617	0.6
119.08127	0.6
123.07982	0.5
129.07007	0.6
131.08543	9.6
133.02847	0.6
133.06465	3.4
133.10109	100.0
134.06007	1.5
134.06950	0.9
134.09555	0.6
134.10442	5.5
140.83203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05494	2.4
65.03929	1.3
67.05488	1.1
71.68086	0.8
78.06445	0.6
79.05477	9.7
80.05795	0.5
88.02232	0.7
91.05464	27.8
92.05798	0.9
92.47102	0.5
93.07033	7.1
95.04971	3.0
102.04675	0.5
103.05460	5.9
105.03398	0.8
105.07013	80.6
106.06611	0.6
106.07338	2.9
107.08569	2.1
112.02158	0.6
115.05429	8.9
116.06268	1.2
117.07006	9.7
118.07126	0.7
118.07816	10.2
119.83844	0.5
131.08556	9.4
133.02795	0.7
133.06522	5.4
133.10109	100.0
134.05991	2.0
134.06985	1.1
134.09595	0.7
134.10457	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.26283	0.5
52.57635	0.5
53.03938	1.7
55.05506	6.4
58.91409	0.5
65.03925	0.8
67.05498	1.1
68.59994	0.5
71.57002	0.7
71.57354	1.1
72.94463	0.5
74.07481	0.4
79.05484	8.8
91.05470	40.5
92.05804	2.6
92.06317	0.6
93.07047	3.4
94.42228	0.5
95.04968	2.4
103.05456	5.1
105.07016	100.0
106.07343	4.5
107.08601	0.5
115.05461	3.6
117.06998	3.7
118.07782	3.5
123.08066	1.0
129.06863	0.5
131.08540	9.2
132.08974	0.7
133.06485	4.3
133.10112	46.2
134.10469	2.3
144.93756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
55.01859	4.5
56.00483	3.1
56.96557	100.0
57.03424	14.2
60.04533	4.1
60.95844	5.6
67.05502	4.1
69.03401	8.6
71.63875	6.1
73.02915	4.1
74.97615	3.2
75.05591	3.8
76.65980	2.7
77.00885	3.4
78.52944	2.4
79.05474	12.3
81.03396	5.7
81.07052	4.3
82.01385	3.3
83.04911	3.6
85.02864	4.2
86.52667	9.5
87.05559	7.8
91.05460	10.4
93.06979	3.9
93.53474	3.6
95.04961	4.3
95.53206	7.6
98.97567	17.9
99.53471	3.1
100.02438	16.9
101.00855	8.9
101.02507	2.9
102.02290	5.6
105.07037	3.7
106.06580	4.6
106.07280	3.1
107.04935	7.6
107.06054	3.4
107.08613	5.2
111.02904	7.6
111.52951	2.8
115.01176	2.8
115.02447	3.3
116.98596	25.6
117.06956	3.3
118.03497	13.6
119.01900	30.9
119.97317	7.2
120.02038	3.9
120.04139	3.0
121.01559	7.4
128.97795	15.5
129.02017	6.4
131.01898	8.8
133.03412	3.3
134.03651	3.7
134.05969	10.4
134.07101	7.6
134.99644	20.2
135.04396	9.7
137.02925	11.1
137.50008	4.9
137.98332	29.4
138.00017	5.4
139.02690	4.2
142.03459	18.5
143.03691	2.7
147.04979	4.5
149.49165	3.6
153.00653	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	135.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
52.37270	0.8
53.03942	6.4
55.01859	1.2
60.04500	1.1
63.02368	6.4
65.03912	1.3
66.85227	0.8
67.05483	1.2
69.83941	1.5
69.84356	3.2
70.13271	0.8
79.05484	21.9
80.05786	0.9
87.05576	2.5
89.03907	100.0
90.04231	3.0
91.05470	7.3
93.07025	2.8
94.06538	0.9
95.04945	7.9
95.06040	1.3
96.06828	1.1
101.33778	0.8
105.04503	2.5
105.07028	1.5
107.04938	21.4
107.08562	2.4
108.08112	0.9
109.07608	1.5
115.05433	1.0
117.03362	34.4
117.63770	0.8
118.03702	1.8
119.06046	1.2
126.83500	0.8
135.04401	60.2
135.08032	8.5
135.11653	0.9
136.02144	14.8
136.04778	1.6
136.06160	7.1
136.07542	2.1
136.08665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0439
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02377	0.8
53.03938	4.4
60.54153	0.8
63.02366	4.3
68.05035	0.9
69.77132	4.0
69.77540	1.6
79.05473	16.3
89.03902	100.0
90.04227	2.5
91.05452	2.2
93.06990	0.9
95.04948	6.9
105.04501	1.4
107.04940	18.2
107.08567	1.5
117.03359	31.7
118.03722	0.9
121.26553	0.7
135.04398	58.3
135.08020	2.7
136.02164	4.4
136.04778	2.3
136.08653	1.0
145.03946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0802
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	6.0
55.01867	14.3
55.05500	2.5
56.95924	1.1
56.96561	1.4
65.03928	9.3
67.05501	7.1
69.03423	13.2
70.39664	2.2
70.40034	3.9
79.05476	51.9
80.05007	3.4
80.05808	2.2
81.07042	1.9
89.03912	2.2
91.05463	100.0
92.05785	3.4
92.06281	2.5
93.05775	1.7
93.07037	15.9
94.04025	2.0
95.04952	13.3
98.20763	1.4
98.21327	1.4
105.04505	1.4
105.07018	32.1
106.04117	1.3
107.04948	10.7
107.08573	52.7
108.04494	1.6
108.08929	3.1
109.01086	7.7
109.06501	18.5
115.04647	1.6
115.05441	29.9
115.06223	2.3
117.07005	22.5
118.07337	2.0
119.03543	2.5
119.06053	7.4
119.08565	4.5
120.05702	1.8
121.42126	1.1
125.48552	1.1
135.04431	8.8
135.05432	2.3
135.06520	2.2
135.08026	35.5
135.09076	2.3
135.11668	4.3
136.02138	84.5
136.03857	2.7
136.05116	2.7
136.06169	29.4
136.07420	7.8
136.08440	2.4
136.82573	1.1
137.04582	1.5
141.93074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0802
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02373	0.7
53.03945	5.4
53.93910	0.5
54.04240	0.5
55.01850	2.0
55.05503	6.1
63.02359	2.2
65.03928	4.5
67.05499	3.6
68.05016	3.4
69.03416	0.6
69.07049	1.7
70.29518	1.7
75.05611	0.6
77.03907	0.6
79.05479	33.4
80.04999	1.4
80.05807	1.2
81.03421	0.8
81.04526	0.8
81.07026	2.1
82.06572	0.6
87.05560	2.9
89.03902	35.0
90.04227	0.8
91.05463	58.8
92.05790	2.1
92.06261	1.7
93.05773	1.0
93.07026	23.0
94.04042	1.1
94.06544	0.7
94.07354	1.0
95.04955	10.1
95.06071	2.2
96.06866	3.8
103.05479	1.0
104.06189	0.6
105.04496	2.1
105.07009	18.1
107.04935	14.4
107.06080	0.9
107.08572	35.0
108.04470	0.9
108.05472	0.5
108.08098	0.9
108.08929	1.4
109.01096	2.7
109.05825	0.9
109.06500	7.1
109.07609	3.9
115.05441	11.7
116.06263	0.6
117.03368	10.6
117.07030	4.3
118.06529	1.0
119.03529	1.4
119.04897	0.8
119.06052	3.5
119.08546	4.5
120.05705	1.8
120.09362	1.5
123.52417	0.5
133.10112	0.7
134.07184	0.5
135.04407	24.9
135.08029	100.0
135.11636	6.3
136.02136	32.9
136.03888	1.5
136.05087	1.1
136.06163	14.9
136.07515	4.5
136.08528	7.2
137.04546	1.3
148.29515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.99195	0.8
51.02356	0.7
53.03936	7.7
55.01865	2.0
55.05498	9.0
55.50309	0.8
56.96548	2.2
57.07065	0.7
65.03932	5.5
66.98882	0.6
67.05490	4.5
68.05019	4.6
69.03394	1.6
69.07044	2.5
70.85468	2.4
75.05560	0.8
77.03918	1.3
79.05478	35.7
80.04996	1.6
80.05804	1.3
81.03402	1.0
81.04525	1.2
81.07037	3.4
82.06556	1.4
86.02863	0.7
87.05574	1.8
89.03902	8.4
91.05463	83.3
91.20659	0.7
92.05773	3.6
92.06281	1.2
93.07025	50.0
93.79784	0.7
94.07331	1.3
95.04951	14.1
95.06056	3.7
95.08604	1.5
96.06874	5.1
103.05437	2.8
104.06267	1.6
105.04496	2.0
105.07011	36.9
106.04123	0.8
106.07268	1.2
107.04940	9.5
107.08574	100.0
108.04442	1.3
108.08122	2.2
108.08913	5.6
109.01085	3.3
109.06500	13.2
109.07622	5.3
115.05435	5.8
117.03355	3.0
117.07007	7.3
118.06550	0.9
119.03583	1.6
119.06083	6.3
119.08565	22.1
120.09389	8.9
121.08877	0.8
124.05260	1.2
125.88268	0.8
133.10097	2.2
135.04416	9.6
135.05428	1.2
135.08037	28.1
135.09048	1.4
135.10623	1.1
135.11664	25.2
136.02144	38.0
136.03894	2.6
136.05098	1.9
136.06161	18.8
136.07521	4.8
136.08501	6.8
136.11108	1.0
136.12015	2.2
137.04559	1.6
137.09572	1.6
147.09160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
56.96552	0.9
61.81145	0.2
61.84235	0.2
65.03911	0.5
67.02969	0.6
69.99751	0.8
73.66055	0.2
77.21339	0.2
82.04053	0.2
91.05470	7.5
91.06046	0.4
92.02471	0.6
94.04039	4.2
94.08975	0.2
98.21349	0.2
100.02430	0.2
109.05112	0.9
109.06481	0.3
112.05072	0.5
118.03413	0.2
119.03537	12.6
119.04842	2.5
120.03883	0.3
131.01886	0.4
136.06163	100.0
137.04561	8.2
137.05853	2.0
137.06572	1.6
138.04926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.2
62.66034	0.2
65.03910	0.4
67.02962	0.5
67.05473	0.2
70.29140	0.9
74.97598	0.2
79.05511	0.2
80.67220	0.2
81.07038	0.3
91.05472	6.4
92.02482	0.4
94.04041	3.4
95.05010	0.3
98.21375	0.3
109.05089	0.5
109.06480	0.6
109.26316	0.2
112.05074	0.4
119.03540	8.9
119.04860	2.7
131.01874	0.6
136.02168	1.0
136.06165	100.0
137.04564	7.8
137.05861	2.2
137.06593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.6
53.03940	1.6
55.01867	0.7
65.03925	1.9
66.04710	9.0
69.03411	0.3
69.36406	3.9
77.03922	0.9
77.60268	0.3
79.05477	4.7
81.07044	1.7
91.05476	4.1
94.04169	56.6
95.04488	1.6
95.04975	1.5
98.20731	0.7
105.03377	0.6
107.04967	1.7
109.06493	0.7
110.79816	0.3
116.70302	0.4
122.03625	71.4
123.03951	2.6
135.04387	0.8
137.05949	100.0
138.06311	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	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.6
53.03936	1.9
55.01870	0.7
55.05500	0.9
60.32817	0.5
65.03929	1.8
66.04705	7.6
67.05482	4.0
68.56769	0.6
69.03403	0.5
71.69880	0.9
71.70302	0.5
77.03908	1.2
79.05479	5.1
81.07047	5.6
91.05468	5.9
93.07035	1.7
94.04172	51.7
95.04483	1.4
95.04999	3.2
95.08582	4.7
96.04528	0.7
105.03396	1.3
107.04919	3.0
109.06515	2.7
109.10115	0.9
110.06035	1.0
119.04890	0.9
120.04457	1.3
121.02819	0.5
122.03626	74.5
123.03974	2.3
131.06175	0.6
135.04420	0.9
137.02507	2.9
137.05951	100.0
138.01747	1.4
138.05453	2.1
138.06361	3.5
138.09096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03969	0.3
55.01879	0.4
56.96554	6.1
57.03205	0.3
57.03462	1.3
61.02955	0.4
64.76192	0.3
65.03931	7.0
69.03432	0.7
69.83244	1.8
70.98158	0.4
71.05015	0.3
73.02907	0.8
79.05489	1.5
81.03407	0.4
81.07046	2.7
83.00789	0.4
85.02901	0.6
87.04469	0.3
90.01539	0.6
91.05466	100.0
92.05795	4.1
93.07012	0.6
94.04108	0.6
94.06536	0.6
95.04925	0.4
96.01536	0.4
97.02892	0.7
97.96777	0.4
98.01298	0.3
98.97581	2.6
103.02401	0.5
105.02067	0.4
109.06501	3.1
110.01294	0.4
110.97552	0.5
111.02032	0.5
112.99078	1.1
115.02390	0.4
116.98631	1.7
117.01934	0.3
119.01746	1.1
119.04925	28.9
120.03820	0.9
120.05228	1.1
121.05059	0.5
121.06492	2.6
126.00333	0.3
128.02260	0.6
128.98561	0.4
130.52284	0.3
131.00142	1.4
132.01944	0.4
133.03387	1.0
134.99536	0.7
137.05875	25.4
138.05470	1.9
138.06271	0.7
146.99582	0.5
149.01151	0.9
151.04413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03930	3.8
54.03456	1.1
55.01856	2.0
55.05506	17.0
56.05030	0.9
57.03423	1.4
57.07063	1.4
63.94690	0.8
65.03928	6.0
65.05685	0.8
66.04712	3.2
67.05495	100.0
68.05011	1.8
68.05814	3.4
69.03416	4.4
69.04546	1.9
69.07058	8.7
71.49688	1.0
71.50002	0.9
72.04498	0.9
78.03423	0.9
79.05481	15.6
79.06415	0.8
80.04975	1.0
81.03410	1.8
81.04533	4.1
81.07043	47.8
82.06573	1.7
82.07381	1.2
83.04959	2.6
83.06068	1.1
83.11235	0.8
90.52998	0.8
91.05468	20.9
92.05811	1.4
93.07024	12.0
94.04170	16.7
94.06549	5.4
94.07799	1.5
95.04955	18.8
95.06026	1.5
95.08593	28.1
95.09205	1.7
96.04482	3.0
96.05668	1.8
96.08885	1.0
97.06383	8.7
97.07674	1.4
103.05449	0.9
105.04491	0.9
107.01270	0.9
107.04930	2.6
107.08582	7.1
109.06510	14.0
109.10143	48.1
110.06049	5.4
110.07173	5.5
110.07800	0.9
110.10480	2.0
110.89872	0.8
111.05559	1.9
117.07017	3.2
119.04917	2.2
119.08553	7.7
120.04477	1.8
120.05599	1.1
121.06448	0.9
122.03635	21.1
122.07267	7.1
123.06739	1.0
137.02412	5.5
137.03395	1.1
137.05954	34.1
137.08208	2.5
137.09604	34.1
137.13190	1.2
138.01726	1.7
138.05484	27.5
138.06494	3.5
138.09093	1.9
138.10121	3.5
153.49379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.36235	1.6
53.03933	5.3
53.48462	1.4
54.03447	2.9
55.01854	5.9
55.05506	13.0
55.47732	1.2
57.03413	2.8
65.03922	6.6
66.04681	2.4
67.05495	92.8
68.05003	2.5
68.05818	2.1
69.03421	5.1
69.04533	3.1
69.07049	5.2
70.02914	1.5
71.04009	4.0
73.55512	1.3
74.92654	1.7
76.01756	1.6
79.05477	19.5
80.04983	1.7
81.03398	5.6
81.04530	7.0
81.07042	47.3
82.06553	2.0
82.95456	1.4
83.04961	2.7
90.93148	1.3
91.05466	43.4
92.05785	2.2
93.04478	1.7
93.07030	14.3
94.04184	20.9
94.06541	8.2
94.07821	2.1
95.04966	22.9
95.06078	3.3
95.08586	26.8
96.04491	6.6
96.05669	3.6
97.06387	11.0
98.04814	2.3
103.05400	2.0
105.04490	1.7
107.04933	23.4
107.08594	7.1
107.74401	1.3
108.05669	1.8
108.30733	1.4
109.06504	45.8
109.10132	59.6
110.06023	8.9
110.07186	7.7
110.10476	2.8
111.05578	3.2
112.03764	1.5
113.51810	1.4
117.07001	4.9
119.04929	2.0
119.06048	3.6
119.08560	16.8
120.04485	2.5
120.05538	2.0
121.06482	7.8
122.03643	22.4
122.07269	85.3
123.06792	1.8
123.07586	2.0
135.08034	2.3
137.02470	7.5
137.05946	38.9
137.08267	3.9
137.09598	100.0
138.05486	47.8
138.06520	5.8
138.09097	1.6
138.10075	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	138.0547
Annotation	Trigonelline
Peak:m/z	Relative Intensity
52.35274	0.2
53.03928	0.6
57.63356	0.2
65.03924	1.3
67.05483	1.1
69.99153	0.5
69.99570	0.6
73.87198	0.2
74.02029	0.2
78.03429	0.8
79.04187	0.3
79.70721	0.2
79.86730	0.2
80.05003	0.2
92.04990	4.9
93.05767	1.1
94.06551	22.1
95.06885	0.5
96.03893	0.1
96.04476	3.3
110.06024	17.8
111.06350	0.5
114.11447	0.2
117.77937	0.2
120.15770	0.2
138.05478	100.0
139.05829	3.5
154.05002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35274	0.2
53.03928	0.6
57.63356	0.2
65.03924	1.3
67.05483	1.1
69.99153	0.5
69.99570	0.6
73.87198	0.2
74.02029	0.2
78.03429	0.8
79.04187	0.3
79.70721	0.2
79.86730	0.2
80.05003	0.2
92.04990	4.9
93.05767	1.1
94.06551	22.1
95.06885	0.5
96.03893	0.1
96.04476	3.3
110.06024	17.8
111.06350	0.5
114.11447	0.2
117.77937	0.2
120.15770	0.2
138.05478	100.0
139.05829	3.5
154.05002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03941	2.6
55.01634	0.7
55.01865	8.5
55.05499	2.8
59.04991	0.9
65.03928	19.5
66.04265	0.7
67.01852	5.2
67.05490	9.1
68.05801	0.5
68.99777	14.7
69.03417	2.8
69.71648	3.1
69.72053	1.0
71.01330	2.2
75.21632	0.5
81.38517	0.5
83.04967	6.9
93.03386	11.9
95.04974	2.5
97.02876	2.5
98.07136	0.7
99.00788	1.0
110.98098	0.5
111.04426	28.8
112.04754	0.8
121.02849	1.3
139.03876	100.0
140.04234	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	139.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03714	0.4
53.03937	3.3
55.01604	0.4
55.01864	7.7
55.05505	3.3
56.05003	0.6
56.96535	0.5
59.04968	0.4
59.36540	0.4
65.03931	15.6
67.01855	4.0
67.05191	0.6
67.05499	7.1
67.06586	0.4
68.99779	13.5
69.03418	2.5
69.46103	0.4
69.67174	3.7
71.01349	2.2
78.94153	0.4
83.04516	0.6
83.04969	7.6
85.85428	0.4
93.03388	11.1
94.03693	0.5
95.04973	2.1
97.02879	2.8
98.07166	0.7
98.97564	1.2
98.98434	0.7
99.00775	0.7
111.04424	32.4
112.04753	1.1
112.08783	0.5
113.56295	0.5
116.98602	1.6
121.02805	1.1
121.04002	0.7
124.50507	0.5
134.99644	0.8
135.27916	0.4
139.03876	100.0
139.05742	3.2
140.04205	4.0
140.08191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.72070	0.7
53.03945	3.0
55.01862	8.6
55.05493	4.1
59.04969	0.7
61.81529	0.5
65.03931	18.9
67.01855	6.5
67.05487	6.2
68.99779	14.8
69.03413	3.1
70.73581	1.2
70.73976	1.2
71.01338	3.2
71.01687	0.5
81.52907	0.5
83.04961	8.3
84.93779	0.5
93.03387	12.2
95.04942	1.9
96.04519	0.5
97.02877	2.9
99.00793	0.8
105.82308	0.5
108.59408	0.5
111.04420	32.4
112.04762	0.6
121.02858	1.2
121.03986	0.6
139.03871	100.0
139.05759	4.4
140.04225	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	139.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.03461	0.5
55.01860	5.9
55.05499	4.4
56.05012	0.7
56.78109	0.3
56.96557	4.4
57.04534	0.5
57.93534	0.3
61.50171	0.4
65.03928	12.5
66.04255	0.5
67.01862	2.6
67.02154	0.5
67.05483	2.8
68.05006	0.6
68.99776	9.8
69.03413	4.3
69.07059	0.6
70.06565	0.7
70.25497	1.8
71.01339	1.5
71.95298	0.4
77.42840	0.4
79.05494	0.4
79.75970	0.4
80.44675	0.4
81.07018	0.5
83.04967	8.8
83.06115	0.6
84.04509	0.4
84.05291	0.4
91.05471	0.6
93.03381	5.9
93.07000	0.6
94.06564	1.4
95.04938	1.5
95.06058	0.8
96.04482	1.0
96.05576	0.4
97.02884	3.5
97.06518	0.9
98.07158	2.7
98.97559	6.0
98.98456	3.1
99.00818	0.5
99.01853	0.5
99.05565	1.3
110.06016	0.7
111.04423	36.0
112.04041	0.5
112.04760	1.7
113.87604	0.5
115.03923	0.6
116.97248	0.9
116.98598	6.5
121.02853	1.0
121.03954	0.4
121.10068	0.5
122.06017	1.1
122.07126	1.8
123.05513	2.1
134.99634	5.7
139.03874	100.0
139.09694	0.8
139.11163	0.8
140.03339	0.7
140.04236	5.0
140.07132	0.6
140.08168	2.2
153.00681	0.9
158.01189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.54024	0.3
53.03923	1.2
54.03455	0.8
54.38179	0.2
55.01864	6.6
55.05500	4.7
56.05015	1.0
56.96295	0.4
56.96555	5.5
57.03430	0.3
57.04546	0.4
57.93539	0.6
59.04974	0.5
59.06116	0.6
65.03931	13.1
66.04240	0.3
67.01855	2.3
67.05493	3.3
68.05025	0.5
68.99781	8.4
69.03416	4.5
69.07054	2.2
69.71272	1.1
69.71703	1.3
70.06577	0.8
71.01348	1.4
71.04948	0.4
71.06075	0.4
71.95244	0.8
79.01824	0.3
79.05471	1.1
81.04518	0.7
81.07064	0.7
82.05269	0.3
82.06564	0.3
83.04970	9.2
83.06079	1.0
91.05463	0.7
93.03391	6.7
93.04527	0.4
93.07021	2.2
94.06541	1.2
95.04967	2.6
95.06065	0.9
95.08587	0.9
96.04470	0.7
96.05586	1.1
97.02882	2.9
97.06487	1.6
97.07621	0.4
98.07166	4.0
98.97569	6.1
98.98445	4.1
99.05561	1.4
99.48584	0.3
105.07007	0.4
110.03645	0.3
111.04426	35.2
111.08014	0.4
112.03955	0.7
112.04752	1.7
112.07596	0.4
112.08714	0.6
115.03918	0.4
116.97200	1.3
116.98598	7.1
121.02888	1.4
121.03985	0.9
121.10143	0.7
122.06006	1.0
122.07125	2.2
123.05542	3.1
132.57629	0.3
134.99634	7.6
138.52612	0.3
139.03880	100.0
139.07411	1.4
139.09763	1.1
139.11143	1.0
140.03340	0.5
140.04245	4.6
140.07106	0.6
140.08151	2.6
141.06516	0.5
153.00677	1.8
158.01215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05913	0.4
53.00291	0.7
53.03921	1.0
54.03457	0.6
55.01866	6.3
55.05501	3.8
55.31350	0.4
56.05021	1.1
56.96555	5.6
59.06106	0.8
63.87124	0.4
64.76141	0.4
65.03929	12.5
67.01839	2.1
67.05496	2.9
68.04996	1.0
68.99773	8.8
69.03416	4.6
69.07052	1.0
70.06564	0.9
70.26943	2.2
71.01331	1.9
71.06089	0.9
71.95264	0.7
79.05469	1.3
81.03329	0.5
81.04515	1.0
81.07017	0.7
82.06552	0.6
83.04964	8.5
83.06078	1.0
91.05465	1.0
93.03391	7.0
93.04465	0.4
93.07020	2.5
94.06583	2.4
95.04942	2.0
95.06092	0.8
95.08581	1.0
96.04437	0.6
96.05580	0.7
97.01936	0.4
97.02881	3.2
97.06482	1.7
98.07159	4.5
98.97573	7.4
98.98444	4.3
99.05550	1.5
110.06019	0.5
110.65479	0.4
111.04422	36.8
111.08017	0.6
112.03983	0.5
112.04731	1.2
112.07584	1.1
112.08757	0.5
116.97190	1.4
116.98604	8.3
121.02844	1.7
121.03959	0.7
121.10107	0.9
122.06039	1.1
122.07121	2.3
123.05562	2.9
127.94493	0.5
134.99634	7.8
139.03874	100.0
139.07486	1.2
139.09776	1.6
139.11154	1.4
140.03387	0.5
140.04250	4.2
140.07048	0.9
140.08156	2.5
141.06499	0.6
146.90195	0.5
153.00719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	27.8
60.63728	0.8
71.24040	2.0
71.95255	4.3
79.57939	0.7
88.67995	0.9
90.01527	0.9
98.97567	100.0
99.97893	1.0
116.98602	90.5
117.98907	1.4
134.99634	54.5
140.00186	2.5
153.00691	7.4
158.01216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24095	0.6
51.25553	0.6
53.75555	0.6
56.96554	33.6
63.77643	0.6
70.12940	4.0
70.16602	0.7
71.95253	4.9
98.20654	0.9
98.97563	100.0
116.98599	83.0
117.99007	1.0
124.65655	0.6
131.93962	0.9
134.99629	44.3
140.00140	1.9
153.00676	5.7
158.01218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90779	0.9
56.96558	33.1
66.92073	0.9
71.95248	5.1
81.04520	0.8
85.00835	0.9
98.97568	100.0
109.05630	1.0
116.98603	84.0
122.05995	3.1
134.99634	42.0
140.00143	2.9
140.07077	0.9
153.00673	4.9
158.01242	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17472	0.7
56.96557	33.4
61.13548	0.8
70.92641	2.2
71.95255	5.8
82.02165	0.8
98.76266	0.7
98.97569	100.0
116.98605	80.4
127.69817	0.8
134.99638	42.9
140.00160	2.7
153.00685	3.9
156.74384	0.9
158.01245	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41987	1.5
55.01850	6.1
55.05493	4.9
56.05013	1.7
56.96557	26.7
57.03409	4.9
58.99854	2.7
59.04969	2.1
60.95838	3.0
61.02908	1.7
62.40689	1.2
68.04996	1.9
69.03408	9.3
70.06573	1.9
71.04975	3.5
71.69406	2.4
72.08132	2.2
73.02885	3.4
77.00851	3.1
81.03407	2.0
81.04531	8.1
81.11033	1.3
82.99816	1.6
83.00761	3.2
83.01287	2.4
83.04951	1.5
84.08123	2.8
84.95996	1.7
85.02879	2.5
85.46478	1.2
86.06062	1.9
87.04455	3.1
89.00822	3.0
91.02341	1.4
95.01923	2.2
95.06052	3.5
96.01514	1.4
96.08092	4.3
97.02866	9.3
98.97560	12.6
100.02461	2.6
101.00861	19.6
102.02229	1.5
105.02067	3.4
110.01266	2.6
110.97507	1.6
111.00757	1.5
116.98600	9.4
118.03481	5.0
118.98284	2.0
119.01895	100.0
120.02010	4.2
125.02350	10.2
125.07081	3.7
128.02310	2.2
128.06111	1.4
130.52618	1.5
133.03455	3.3
134.99608	5.4
136.04530	3.5
137.02930	34.6
140.00145	1.9
142.03487	14.8
142.04645	1.6
142.05022	1.7
142.08647	5.2
143.03369	83.7
143.08904	5.0
146.99602	2.3
159.57709	1.6
160.04521	4.4
161.02953	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06123	1.7
60.04510	1.6
71.18442	2.3
82.99863	1.8
83.06072	2.3
97.02898	1.6
97.07597	1.7
98.97597	1.3
100.02473	1.8
100.97191	2.1
100.97956	1.2
101.00859	15.4
101.95001	6.2
118.03493	10.0
119.01898	100.0
119.96030	2.9
120.02029	3.0
124.02471	2.1
125.07005	1.2
136.04530	11.3
137.02939	38.3
138.05847	1.2
142.03470	21.2
142.09785	2.4
143.03377	16.2
156.37970	1.2
160.04498	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	142.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01865	2.8
55.05491	1.2
56.05026	6.3
56.09536	0.5
57.03426	9.4
57.04530	0.6
58.02937	1.4
58.06576	2.2
58.96153	0.5
59.04988	1.2
59.06106	8.1
60.04511	8.3
67.02969	1.0
67.05482	1.3
67.55489	0.5
68.05009	3.4
68.99780	0.8
69.03413	12.8
69.04550	0.7
69.07043	3.5
70.06566	2.5
71.01322	0.7
71.04965	2.0
71.06074	0.6
72.04492	1.2
72.06870	0.9
74.06050	2.2
75.05583	2.2
75.18054	0.5
77.80093	0.5
79.05478	24.0
80.05000	1.2
80.05823	0.9
81.04503	0.8
81.05783	1.0
81.07036	14.2
82.06544	1.0
83.01316	1.3
83.02413	0.5
83.04954	0.9
83.06081	7.3
84.04482	6.0
84.08109	0.9
85.07662	3.0
86.06042	2.4
86.08434	3.8
95.04929	0.7
95.06062	0.9
96.04500	0.8
96.08100	2.3
97.02871	10.6
97.06513	38.6
97.07507	4.2
98.06025	1.3
98.06808	0.8
98.21495	1.0
99.05556	3.4
100.08759	1.0
101.07121	4.9
102.05523	0.8
106.06544	1.9
112.03948	0.5
112.08699	1.1
118.96731	0.9
119.01883	3.9
124.07567	7.0
124.08492	1.0
125.02341	10.9
125.05968	35.4
125.07034	2.7
126.06318	2.0
128.06195	2.2
128.43321	0.6
137.02908	0.9
141.06944	0.9
142.04924	1.1
142.08607	8.3
142.09731	10.8
143.03365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65860	0.8
54.90862	0.8
56.96554	3.8
57.03423	1.7
57.57188	0.8
58.26326	0.7
58.99847	5.4
60.95124	1.1
69.03410	1.8
70.99840	3.5
71.09641	1.7
77.00889	5.3
81.04530	8.2
85.02883	3.6
88.19650	0.7
89.00867	2.5
93.19260	0.8
93.55739	0.6
94.06532	1.4
95.01914	1.6
95.06055	4.4
96.21722	0.7
97.02863	0.8
97.92861	0.7
98.97556	3.3
100.02465	0.8
101.00219	1.4
101.00865	22.9
102.00980	1.2
102.96898	0.9
103.02464	0.9
107.01943	0.9
111.38885	0.9
116.98599	2.1
118.67050	0.8
119.01894	100.0
120.01986	8.4
120.97881	0.8
125.07106	2.8
131.01886	1.1
133.03418	0.9
137.02927	25.6
138.03030	1.3
138.98950	1.1
142.03506	5.0
143.01892	1.5
143.03383	10.4
143.08160	1.9
144.06514	1.3
146.76932	0.7
161.02924	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	144.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	8.3
60.95846	33.5
71.04987	5.7
71.12493	2.4
71.12873	7.3
75.94541	6.6
85.02920	3.2
98.06040	3.3
99.04433	11.1
102.00948	7.7
102.02239	4.7
102.96853	87.6
103.00603	18.7
119.01905	25.1
120.01987	71.5
120.03300	6.6
120.97895	72.7
121.01647	100.0
121.02492	5.5
126.02174	2.5
127.97353	2.4
137.02922	3.8
137.68552	2.4
138.03053	30.6
138.04283	7.8
138.49872	7.7
138.98918	34.7
139.02661	32.5
142.03474	3.7
143.99554	2.8
144.03156	15.0
153.05312	2.4
157.00000	5.3
162.04300	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	144.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	9.9
60.95847	33.0
70.97506	6.0
71.04965	3.3
75.94540	5.8
79.28918	1.9
85.02890	5.2
98.97566	2.5
99.04440	8.8
100.02493	2.4
101.00887	2.5
101.64583	2.1
102.00954	5.6
102.96852	98.3
103.00614	9.2
116.98573	2.0
119.01901	19.1
120.02017	72.8
120.03240	8.2
120.97889	100.0
121.01652	97.4
126.87218	2.1
135.97723	4.5
137.02942	11.9
138.03062	31.5
138.04286	9.6
138.47923	3.7
138.49915	14.2
138.98915	62.7
138.99960	4.3
139.02669	39.1
139.49841	2.1
141.00211	3.1
142.03485	2.8
143.03647	3.1
143.99507	2.0
144.03171	18.3
147.48509	5.7
150.00676	4.5
150.50690	2.1
155.98116	1.9
156.99979	9.8
162.00516	3.9
162.04283	10.0
164.95613	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03920	0.5
57.51768	0.5
59.63393	0.5
65.03928	1.4
69.40000	6.1
72.08148	2.3
74.76765	0.5
77.03930	0.7
82.25076	0.6
91.05462	41.1
92.05791	0.7
98.21411	1.0
99.04453	0.6
100.04774	1.6
100.07564	0.7
105.07033	0.6
117.05742	6.8
118.06520	100.0
119.04921	10.3
119.06830	4.8
119.07635	0.8
119.08583	1.2
128.04947	12.9
146.05981	42.0
147.04408	6.9
147.06300	1.9
147.07964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23845	0.3
53.03904	0.3
55.05500	0.3
61.34650	0.3
65.03925	10.7
69.07053	0.3
71.12790	0.8
84.04489	0.7
91.05459	100.0
92.05791	4.2
95.04967	0.4
103.05440	0.6
105.07005	3.4
117.07028	0.9
119.04915	83.6
119.08548	6.4
120.05241	4.2
132.09338	0.6
147.04376	32.1
147.11658	2.1
148.04787	1.9
148.07541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31469	0.4
56.94293	0.4
65.03928	10.3
70.15434	2.4
84.04506	0.6
91.05463	100.0
92.05807	4.3
96.58210	0.5
105.07037	1.5
111.04401	0.5
119.04921	85.2
119.08538	2.5
120.05267	4.7
128.07721	0.5
135.66466	0.4
135.95239	0.5
147.04385	33.9
147.11694	0.8
148.04727	1.6
157.56387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02350	0.5
52.62880	0.4
64.20668	0.5
65.03927	11.4
69.38400	2.4
69.38827	2.5
85.04449	0.5
91.05464	100.0
92.05798	3.5
95.04948	0.7
95.10924	0.5
98.21497	0.8
105.07044	0.6
108.45913	0.5
119.04921	94.2
119.08563	1.5
120.05254	5.0
147.04385	33.0
148.04698	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.41969	0.5
65.03930	12.2
71.16006	1.4
91.05464	100.0
92.05812	3.1
105.07022	2.2
109.39087	0.5
111.14828	0.4
117.07001	0.7
119.04924	82.6
119.08556	3.6
120.05262	4.2
147.04385	32.5
147.07977	1.1
147.11646	1.2
148.04744	2.0
165.48395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02365	1.4
53.03943	6.2
54.12375	0.9
55.01854	2.2
55.05481	2.8
65.03932	39.4
66.04244	1.6
67.05499	1.5
69.03398	3.8
69.06394	1.3
69.07059	1.1
69.98119	6.5
78.04697	1.3
79.05483	28.2
80.05807	1.1
81.07032	3.4
82.67930	1.1
89.03893	5.8
91.05470	50.9
92.05814	3.1
93.03397	9.8
93.07029	44.8
94.07365	2.0
95.04956	10.0
98.03638	2.6
103.05449	10.5
105.04491	1.9
105.07016	44.9
106.07265	1.8
106.07814	3.8
107.04927	1.8
107.08593	4.9
109.06477	3.2
110.08413	2.3
111.04421	5.1
115.05437	6.2
116.05420	1.7
116.06213	16.2
117.03355	2.2
119.04903	1.2
119.08567	6.4
121.02843	44.6
121.03957	10.9
121.06478	17.0
121.10130	32.4
122.03207	2.0
122.07081	1.6
122.10501	2.5
123.08009	5.1
129.06995	4.2
131.04941	1.2
131.08556	13.2
133.06560	1.5
133.07622	3.2
134.03574	1.4
134.07259	3.7
147.08051	2.0
149.01111	2.0
149.02322	77.8
149.05962	6.5
149.09596	100.0
150.02661	6.2
150.03671	1.1
150.10022	6.8
166.35329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.78407	0.9
53.03943	5.8
55.01860	1.9
55.05492	3.4
65.03931	44.4
66.04243	1.3
67.05486	3.1
69.03427	1.2
69.07043	2.8
70.09955	4.8
77.03915	1.7
79.05480	26.2
81.03377	1.1
81.07048	4.6
91.05467	33.5
92.05809	1.8
93.03384	10.1
93.07030	51.3
94.06528	2.0
94.07370	2.1
95.04951	8.8
98.03650	2.4
103.05457	8.9
105.04492	3.1
105.07010	36.3
106.07780	4.1
107.04939	22.3
107.08572	12.7
108.04494	1.2
108.05242	1.3
109.06497	1.3
109.07623	1.1
110.08406	1.4
111.04433	9.5
115.05511	1.2
116.06215	4.8
119.08542	6.8
121.02845	49.1
121.03954	12.3
121.06498	11.4
121.07376	1.5
121.10131	31.9
122.03204	3.3
122.06025	1.9
122.07005	1.2
122.10464	1.3
123.08041	4.1
128.84299	0.9
129.06999	1.9
131.04930	1.2
131.08551	5.3
133.07573	2.4
134.07278	1.2
149.02321	81.2
149.05972	5.7
149.09595	100.0
149.13231	3.5
150.02635	5.1
150.05460	2.1
150.09999	5.7
167.03464	1.3
169.03403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0749
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02368	1.0
53.03937	5.2
55.01862	1.6
55.11073	0.3
56.96548	0.9
65.03930	6.0
67.05492	2.9
68.18047	0.3
71.38788	0.6
71.39133	0.4
72.58510	0.3
77.03901	1.7
78.04699	5.6
79.05066	0.4
79.05462	1.9
81.03400	1.3
81.07049	2.7
91.05463	56.2
92.05770	1.9
93.07030	2.8
95.01324	0.4
95.04951	12.7
95.08588	2.6
98.97545	0.6
103.05443	1.1
105.03384	0.7
105.04488	2.7
105.07008	2.1
106.04151	5.9
106.04829	0.6
107.04953	0.9
107.08567	0.9
108.05704	1.8
109.06506	2.8
109.10131	1.4
110.06094	0.3
111.04425	0.5
119.01730	0.7
119.04921	0.9
121.06480	100.0
121.79045	0.3
122.06789	3.4
123.03517	0.6
123.04403	3.9
123.08044	3.6
123.11671	0.5
124.07609	0.4
125.05988	0.7
133.06381	0.6
133.10118	0.8
136.05177	1.3
137.04704	0.3
137.05963	0.8
139.07515	20.1
140.07831	0.9
147.18286	0.4
149.07103	1.9
151.02850	0.8
151.03899	2.3
151.07512	53.9
151.11052	2.0
152.06821	1.7
152.08083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1068
Annotation	Mearsine
Peak:m/z	Relative Intensity
53.03927	0.7
53.46966	0.2
54.03450	0.3
55.01863	0.7
55.05489	1.5
56.05021	0.8
56.96553	6.7
57.03423	0.5
58.02946	0.7
58.06592	0.6
60.66418	0.3
65.03923	3.2
67.02984	0.4
67.05492	2.7
68.05022	1.7
68.99778	0.3
69.03412	1.0
69.04518	0.3
69.07054	2.2
70.06582	2.2
70.93554	0.3
70.93915	0.8
70.94254	0.6
71.95259	0.4
73.02904	0.5
74.97603	0.4
79.05481	3.7
80.05002	1.3
81.03392	0.7
81.04510	0.7
81.05769	1.2
81.07030	1.2
82.06572	1.6
83.04984	1.5
83.06080	0.9
83.08614	0.7
84.04484	0.6
84.08115	0.5
85.02871	0.6
88.12193	0.2
91.05447	1.1
92.05000	0.4
93.03406	0.8
93.05749	0.4
93.07027	1.7
94.06557	2.6
95.04951	1.6
95.06081	0.6
95.07339	1.1
95.08580	3.6
96.04466	2.1
96.05554	0.3
96.08115	4.8
96.08768	0.5
96.08898	0.4
97.02866	0.5
97.05262	0.4
97.06516	1.1
97.07637	1.7
98.96962	0.4
98.97562	3.8
104.01307	0.4
105.06994	0.4
106.06528	2.4
106.07242	0.4
107.04939	5.3
107.06068	0.8
107.08584	1.2
108.04393	0.6
108.05615	0.3
108.08087	2.9
109.02896	0.5
109.06490	0.8
109.07671	1.8
109.08888	2.7
109.10127	0.3
110.03565	1.2
110.06030	3.1
110.06767	0.3
110.07130	0.3
110.97533	0.9
111.04422	5.5
111.05215	0.4
111.05558	0.6
111.06793	0.3
111.08031	0.9
111.09196	1.3
111.96856	0.3
112.09953	0.6
113.05877	1.3
116.98594	2.8
119.01836	0.3
122.06010	0.5
122.09645	0.4
123.04404	1.4
123.06788	0.6
123.08017	0.3
124.03906	1.4
124.07566	98.5
124.11148	2.5
125.05981	2.4
125.07070	0.5
125.07877	2.6
128.02312	0.3
128.98582	1.7
129.03909	0.5
129.97903	0.3
131.00119	0.4
134.05977	2.4
134.06976	0.4
134.09622	0.6
134.99632	1.2
135.02974	0.7
135.04419	3.0
135.05392	0.5
135.08104	0.5
135.09158	1.0
136.01425	0.4
136.07550	10.5
137.08336	11.6
138.08647	0.6
143.01866	0.3
146.99600	2.4
147.04971	0.5
150.09096	3.2
152.01633	1.2
152.04414	0.7
152.05649	5.8
152.07025	10.4
152.10670	100.0
153.01907	0.7
153.04034	2.8
153.05423	2.1
153.07622	0.6
153.09071	0.6
153.11060	3.9
153.12355	0.4
158.99600	0.8
165.00650	0.6
170.01303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
51.07461	0.7
53.03922	2.5
55.01849	1.9
55.05498	12.6
57.03431	4.7
57.07052	2.5
59.04986	1.2
62.33096	0.7
65.03925	7.2
67.05490	38.1
68.05807	1.1
69.03430	3.8
69.07053	56.7
70.07354	1.1
70.94245	2.5
71.04967	2.9
71.69159	1.1
71.69533	0.9
71.94089	4.9
71.95236	3.5
79.05477	32.5
81.07041	41.9
81.42570	0.7
82.07365	1.2
83.04967	8.7
83.08594	7.5
85.02857	0.8
85.06529	2.7
91.05468	6.7
93.03377	2.5
93.07025	49.4
94.07365	1.6
95.04951	4.0
95.08585	22.1
97.06509	25.3
105.07005	1.9
107.04936	3.7
107.08572	54.6
108.08920	1.8
109.06480	1.8
109.10134	37.5
110.03622	3.7
110.10483	1.4
111.04472	12.8
111.08060	7.2
111.11719	1.5
111.96843	1.4
111.98521	0.7
112.04768	2.3
112.96691	2.7
125.05962	6.9
126.06290	3.4
129.97905	0.7
130.97775	1.3
135.04361	1.5
135.11667	100.0
136.03944	1.1
136.12010	4.2
138.03072	2.1
138.05006	1.9
152.99483	0.9
153.05490	7.1
153.07454	7.0
153.09180	3.8
153.12715	79.7
154.04892	3.7
154.08592	1.2
154.13017	3.5
154.15874	1.7
156.70068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	1.2
53.03936	5.8
54.03447	1.3
54.43095	1.0
55.01855	3.0
55.05276	1.1
55.05505	15.6
56.05012	1.6
57.03419	2.3
57.07056	2.7
59.04997	9.8
65.03934	16.7
67.02971	1.9
67.05186	1.3
67.05499	13.7
68.05000	3.3
68.96305	3.2
68.99780	2.9
69.03428	8.6
69.04531	1.9
69.07054	13.2
70.06570	4.3
70.94249	8.1
70.95844	1.5
71.01302	0.9
71.04983	34.5
71.21347	2.6
71.94090	31.2
72.08133	2.3
73.06543	20.5
74.14742	0.8
77.47775	1.0
79.05025	2.0
79.05484	36.6
80.05015	1.6
80.05801	1.1
81.03389	1.4
81.04506	3.6
81.07045	100.0
82.06551	2.5
82.07360	2.3
83.04572	1.1
83.04972	11.5
83.06078	3.7
83.08598	3.0
84.08123	4.2
85.06506	1.3
85.07651	0.9
88.95279	2.7
89.12145	1.1
89.95110	3.1
91.05462	14.7
92.05011	1.0
92.47934	0.9
93.03398	7.4
93.07032	50.3
94.06551	2.3
94.07360	1.6
95.04966	11.7
95.06081	5.9
95.08578	9.7
96.04484	1.6
96.05579	2.3
96.08121	1.1
97.02924	2.2
97.06509	13.6
97.07619	1.5
98.09602	1.0
105.04472	1.6
105.07018	4.6
107.04937	10.9
107.06042	1.2
107.08577	42.9
108.04451	1.6
108.05625	2.1
108.08105	1.5
108.08881	1.4
109.06490	6.0
109.07626	3.9
109.10147	9.8
109.98907	2.0
110.03628	3.4
110.06032	1.3
110.07127	2.2
111.04428	33.0
111.08075	11.4
111.09184	4.2
111.96844	2.6
112.07565	1.1
112.08743	5.1
112.96698	11.0
113.05878	4.8
113.07119	1.2
115.05395	1.0
119.08569	1.7
123.04404	2.3
124.08716	1.3
125.05074	1.7
125.05981	14.4
125.09599	4.2
126.05499	2.2
126.06464	1.1
126.09122	1.1
129.97871	3.1
130.96297	2.3
130.97729	7.7
135.04372	3.7
135.08038	9.6
135.11668	23.5
136.05019	1.5
136.07544	6.1
136.08646	4.0
136.11986	1.0
137.07077	2.0
137.10686	1.3
138.03072	1.5
138.06723	2.1
148.97356	7.5
153.01822	13.5
153.05470	19.1
153.07521	3.0
153.09074	10.7
153.10150	2.1
153.11316	12.5
153.12703	12.8
154.02081	1.5
154.04933	5.0
154.08568	3.9
154.09732	4.6
161.04370	1.1
171.98885	1.2
173.56795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.95575	1.2
53.00296	1.6
53.03931	4.7
55.01855	4.7
55.05502	26.7
56.05016	1.7
56.96555	2.5
57.03413	1.8
57.07060	2.7
59.04986	9.3
65.03931	25.2
67.05492	18.2
68.05006	2.9
68.99779	4.7
69.03408	8.9
69.07057	18.0
70.06576	5.9
70.47339	4.9
70.94254	10.4
71.04980	31.5
71.06122	1.2
71.94095	5.4
72.08134	3.1
73.06545	19.0
79.05479	36.5
80.04999	1.9
81.03436	2.2
81.07045	100.0
82.06539	1.3
82.07336	2.2
83.04971	16.2
83.08607	3.6
85.06504	2.5
88.95265	1.7
91.05471	15.2
93.03397	7.5
93.07030	52.8
93.17982	1.3
94.07352	2.5
95.04959	14.8
95.06075	2.7
95.08579	13.8
95.75952	1.2
97.02876	1.5
97.06514	19.6
98.05988	1.5
105.07016	6.3
107.04938	8.9
107.08578	52.7
108.04504	1.8
108.08159	1.5
108.08915	2.4
109.06504	8.9
109.07606	2.3
109.10136	16.0
110.03615	5.3
110.06033	1.5
110.07207	2.8
110.10474	1.3
111.04427	43.4
111.08058	11.8
111.09151	2.1
111.96898	2.0
112.04743	1.4
112.07613	2.2
112.08707	6.3
112.96712	3.1
113.05849	1.6
117.07033	1.8
119.06075	1.5
123.04465	2.1
125.05981	19.2
125.06883	1.6
125.09618	3.7
126.05521	3.1
126.10264	1.3
129.97891	4.7
130.96300	1.7
130.97749	2.0
135.04396	3.4
135.08041	7.8
135.11674	29.6
136.03958	1.4
136.07584	4.9
136.08569	2.2
138.03154	2.6
141.05409	2.5
148.97351	1.4
149.81911	1.6
153.01811	9.8
153.05464	27.2
153.06712	1.8
153.09093	10.8
153.10229	2.2
153.11330	9.4
153.12730	20.9
153.13878	1.9
154.04962	5.4
154.08582	4.2
154.12234	3.7
157.23009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	1.2
53.03924	3.8
55.01854	1.8
55.05502	17.8
56.05022	1.7
57.03405	1.2
57.07055	2.3
59.04985	7.3
65.03930	11.6
67.01852	5.5
67.05491	11.3
67.84272	1.0
68.05002	1.3
68.99764	3.2
69.03420	5.3
69.07050	13.7
69.65525	3.7
69.65952	3.6
70.06557	1.8
70.94228	6.4
71.04974	31.7
71.94088	5.6
71.95232	1.1
72.04498	1.1
72.08147	1.3
73.06540	19.0
79.05478	31.4
81.07041	100.0
82.07381	1.5
83.01333	0.9
83.04961	9.4
83.06062	1.3
83.08594	2.8
84.08113	1.6
86.07693	1.1
88.95287	1.7
91.05467	14.2
93.03401	5.4
93.07024	44.8
94.07351	1.7
95.04935	7.4
95.06061	1.7
95.08581	13.2
97.02856	2.4
97.06499	12.9
98.20787	2.0
105.06998	4.2
107.04919	4.7
107.08572	40.9
108.08865	1.5
109.02886	1.1
109.06485	2.1
109.10118	11.0
110.03624	3.8
110.07134	1.2
111.04428	25.1
111.05581	1.3
111.08054	9.7
111.96836	1.9
112.08685	3.5
112.96693	2.0
119.08556	1.8
119.64227	1.1
125.02332	1.7
125.05965	8.1
125.09632	1.6
125.62753	1.0
126.05534	1.0
129.97881	2.1
130.97781	1.1
135.04399	1.6
135.08003	4.3
135.11655	23.6
136.07523	2.3
136.08566	1.2
137.05832	0.9
138.06810	1.1
149.20178	0.9
153.01810	12.9
153.05441	9.8
153.09074	5.9
153.10217	1.3
153.11357	4.3
153.12708	16.6
154.04909	1.7
154.08553	2.2
171.02901	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	154.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52372	0.2
53.03913	0.8
54.03428	0.3
54.55826	0.2
54.93824	1.2
55.01846	0.4
55.05236	0.3
55.05492	5.1
56.05024	1.3
56.96534	0.3
57.03413	0.3
57.04538	0.2
58.06571	0.6
59.06099	0.4
65.03903	0.8
67.01835	0.9
67.05494	1.5
68.05013	1.2
68.96318	1.0
68.99751	0.9
69.03419	1.3
69.04524	0.6
69.07037	0.5
69.63169	0.4
69.63575	1.5
69.95774	0.5
69.96162	9.4
70.06570	2.0
70.94229	0.8
71.04965	0.3
71.06076	0.3
71.94086	25.3
72.04469	0.4
72.08129	0.4
72.93775	15.0
79.05097	0.2
79.05481	2.6
80.04978	0.7
80.05776	0.4
81.03387	1.2
81.04488	0.5
81.07043	7.6
82.06573	1.8
82.07345	0.4
83.04972	1.3
83.06062	0.8
83.07320	0.4
83.08619	1.2
84.04465	0.8
84.08121	1.2
85.02862	0.3
85.06508	0.2
86.05979	0.3
86.97314	0.4
87.04443	0.6
87.97181	0.7
88.95288	0.3
89.95119	2.6
90.94808	4.9
91.05453	1.3
93.05750	0.9
93.06972	0.2
94.06535	1.0
94.07345	0.3
95.04975	1.3
95.06063	1.3
95.08578	0.6
96.04479	1.0
96.08087	1.0
97.03954	0.3
97.05259	3.4
97.06429	0.3
97.07608	0.7
98.02445	0.3
98.05460	0.3
98.06038	4.0
98.07093	0.3
98.09669	2.1
98.21357	0.4
98.98443	0.3
99.04422	0.4
99.05524	0.3
102.74131	0.3
106.06687	0.2
107.96075	0.3
108.04514	0.3
108.05279	0.3
108.08112	3.5
108.08829	0.5
108.10032	0.2
108.95818	0.9
109.02880	1.2
109.06495	6.6
109.07615	2.1
109.10111	1.2
109.98912	0.5
110.05338	0.3
110.06031	4.8
110.06747	0.2
110.98760	0.5
111.04440	1.9
111.05569	0.4
111.06810	4.5
111.08012	0.3
111.09164	1.0
112.04779	0.6
112.08707	0.8
112.96691	7.4
112.97486	0.4
113.05974	1.1
113.07088	0.5
113.08246	0.3
113.95071	0.6
113.96375	8.0
117.11316	0.2
118.06558	0.2
119.41650	0.2
120.50882	0.2
123.04420	0.3
124.07578	0.8
125.08317	1.0
126.05471	0.7
126.06359	0.4
126.09126	4.3
127.03886	1.6
127.04884	0.4
127.07545	0.5
127.09486	0.3
130.96281	1.0
130.97720	4.9
131.96118	15.1
131.97392	7.7
136.03914	0.4
136.04877	0.3
136.07547	2.3
136.08585	0.6
137.02306	0.8
137.05933	1.1
137.06949	0.4
137.09615	0.3
137.10695	0.6
138.05476	0.7
138.06558	0.2
139.06264	5.1
139.07379	0.3
148.97331	2.0
148.98706	0.4
149.97169	38.3
152.07008	0.4
153.99284	0.4
154.05142	1.9
154.08595	100.0
154.97705	1.7
154.98961	0.5
155.03371	3.4
155.07034	2.1
155.08966	3.6
155.12898	0.5
167.98235	4.6
172.98785	2.9
173.62999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01860	0.5
55.05506	5.4
55.93493	0.2
56.05015	0.9
56.05806	0.3
56.96569	0.2
57.03414	0.3
57.07048	0.3
58.06583	0.3
65.03924	0.8
67.01849	0.2
67.05495	1.4
68.05038	1.2
68.96323	0.5
68.99776	0.6
69.03414	1.2
69.04553	0.4
69.07031	0.3
69.96159	0.9
70.06580	1.3
70.94224	0.2
71.01845	0.3
71.02184	0.4
71.04984	0.2
71.06112	0.2
71.93731	0.3
71.94093	3.5
72.04494	0.3
72.08131	0.5
72.93781	12.8
76.04753	0.2
79.05483	2.1
80.05000	0.6
80.05805	0.5
81.03406	0.6
81.04531	0.3
81.07048	7.8
82.06564	1.5
82.07357	0.4
83.04530	0.3
83.04966	1.3
83.06100	0.5
83.07355	0.4
83.08616	1.7
84.04472	0.3
84.08115	0.8
85.02875	0.2
85.06474	0.2
88.95287	0.2
89.95118	0.4
90.19350	0.2
90.94819	3.5
91.05456	1.2
93.05770	0.6
93.07037	0.3
94.06526	0.4
94.07394	0.4
95.04969	1.1
95.06100	1.0
95.08586	0.6
96.04467	0.7
96.05228	0.3
96.06890	0.3
96.08112	0.5
97.05266	2.7
97.06507	0.3
98.06049	3.0
98.09682	1.8
98.98434	0.3
99.04421	0.6
108.04473	0.2
108.08121	3.3
108.08884	0.6
108.95856	0.4
109.02857	0.7
109.06503	5.5
109.07608	1.2
109.10162	1.5
110.06042	4.2
110.06850	0.4
110.74454	0.2
111.04442	1.0
111.05599	0.2
111.06816	4.1
111.07996	0.3
111.09176	0.7
112.08648	0.5
112.96687	1.0
113.05980	0.7
113.07117	0.4
113.96389	6.8
114.06720	0.2
123.04417	0.2
124.07543	0.3
125.08358	0.9
126.05510	0.5
126.09135	3.6
127.03896	0.9
127.07587	0.4
127.09510	0.3
130.96263	0.5
130.97748	0.9
131.96162	1.6
131.97421	6.6
134.45850	0.2
136.03925	0.3
136.07558	1.3
136.08563	0.3
137.02281	0.3
137.05952	0.5
137.07045	0.3
137.08073	0.2
137.10693	0.3
138.05455	0.6
139.06268	4.6
139.07524	0.8
140.06601	0.3
144.20650	0.2
148.97356	1.2
149.97176	3.3
152.07013	0.4
154.05006	1.4
154.08611	100.0
154.98956	0.5
155.03387	1.5
155.07059	1.8
155.08989	4.0
155.10262	0.3
155.12929	0.4
167.98268	0.3
172.98679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
54.93826	3.2
55.01866	0.5
55.05500	1.2
55.93517	0.4
56.05022	1.0
56.96555	53.0
57.03424	0.8
58.08282	0.3
58.99858	0.4
59.06111	0.4
67.05499	1.8
69.03417	1.0
69.04544	0.5
69.07048	0.4
69.96164	28.2
70.03893	1.2
70.04302	0.6
70.06584	0.3
70.95852	5.7
71.04990	0.4
71.94088	11.0
71.95255	1.2
72.04500	1.3
72.93775	11.4
72.96035	0.6
74.04795	0.5
74.97601	1.2
77.00904	0.8
79.05495	0.4
81.03405	0.7
81.04543	0.5
81.07030	1.5
82.06590	0.3
83.04982	2.2
83.06081	0.5
83.97625	1.0
84.04507	0.3
85.02900	0.5
85.06548	0.3
87.97198	1.7
88.96875	2.0
89.95106	0.7
90.94814	3.5
91.05478	0.5
93.07052	0.6
95.01970	0.3
95.04973	0.8
95.06060	0.5
95.08585	0.4
96.05602	0.6
97.02896	0.4
97.04037	0.3
97.07648	0.3
97.99176	1.0
98.07155	0.5
98.21458	0.3
98.97577	1.2
98.98444	0.4
99.04447	0.9
100.02462	1.3
101.00860	0.8
103.02409	0.7
106.97876	0.4
107.02509	0.4
108.95844	0.5
109.02877	1.0
109.06493	1.1
109.07680	0.3
109.10135	1.0
110.06023	0.6
110.07185	0.5
110.98779	1.3
111.04436	1.7
111.05531	0.4
111.98466	1.7
112.96685	0.5
113.00865	1.2
113.06005	1.3
113.08211	0.3
113.95086	1.5
113.96387	3.8
113.98640	9.2
114.03980	1.4
114.06629	0.7
115.17104	0.3
116.00208	1.2
116.98594	1.0
117.06944	0.7
118.02755	0.4
118.03513	1.1
119.01097	0.4
119.01903	5.5
119.97298	1.3
127.03925	1.5
127.07542	0.8
128.97807	3.3
129.99493	1.8
130.00940	0.5
130.01773	0.6
130.06239	0.9
131.00323	0.4
131.01889	8.6
131.96127	39.7
131.97371	2.4
131.99667	27.6
132.02184	1.5
132.05043	19.5
132.95792	5.4
133.01640	0.7
133.03450	3.3
133.04449	0.5
134.01234	1.6
134.99619	1.1
137.02995	1.8
137.05963	0.7
137.06984	0.4
137.98355	3.1
138.00005	0.3
138.06606	0.4
138.49855	0.4
139.06740	0.6
140.48576	0.8
141.57089	0.3
143.02962	0.5
143.08536	0.5
143.53200	0.6
144.06017	0.6
145.03430	0.4
147.03711	0.6
147.04929	0.4
148.02774	0.8
149.02908	2.2
149.97176	100.0
150.00702	30.3
150.02364	2.5
150.06085	16.0
150.96832	13.6
150.98999	0.5
151.04483	1.2
151.06110	0.4
151.97601	0.4
152.02182	0.4
153.06604	0.4
154.56642	0.3
154.97726	3.5
154.98863	0.6
155.00099	0.6
155.01421	1.2
155.03398	1.2
155.07001	4.4
155.08205	0.4
155.09262	0.7
155.97375	0.8
155.99669	1.5
156.05064	0.7
161.06557	0.4
165.04726	0.8
167.98242	12.2
168.01776	4.5
168.03497	0.8
168.97914	0.5
172.98781	5.8
173.01137	0.6
173.02591	1.9
173.04149	0.5
173.07771	0.7
173.98480	1.1
174.00703	2.1
174.06071	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	154.977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.3
53.03938	1.3
54.93821	2.5
55.01868	0.9
55.05494	1.5
55.93521	0.9
56.05025	0.5
56.96562	0.6
57.03426	0.6
57.04553	0.4
57.07045	0.4
59.04987	0.3
59.06110	0.5
63.02370	0.5
65.03933	1.0
67.01856	10.1
67.05500	2.3
68.02168	0.3
68.05044	0.4
68.99779	14.6
69.03416	1.3
69.04547	0.5
69.07072	0.6
69.96165	24.8
70.06573	0.6
70.95853	9.1
71.04980	0.8
71.69564	0.5
71.94086	10.8
72.04496	0.5
72.93775	41.5
73.93840	0.3
75.96740	0.3
79.05479	0.6
79.42840	0.3
81.03403	3.9
81.04542	0.6
81.07046	1.8
82.06580	0.4
83.01324	1.0
83.04962	2.8
83.06106	0.4
85.02903	1.1
85.06535	0.5
87.04447	0.5
87.97211	1.5
88.96893	3.2
89.95145	1.3
90.94807	10.7
91.05486	0.7
93.03374	0.4
93.07005	0.4
95.01312	0.9
95.04950	2.2
95.08586	1.0
95.33184	0.3
96.05647	0.5
97.02831	0.3
97.04034	0.5
97.06471	0.6
97.07690	0.5
98.07169	0.7
98.35309	0.3
98.98469	0.9
99.04452	1.2
108.95832	1.6
109.02859	6.2
109.06515	1.6
109.07610	0.5
109.10136	1.6
110.06017	0.8
110.07136	1.0
110.98781	1.0
111.04428	2.9
111.08057	1.6
111.09156	0.4
111.98460	3.2
112.01519	0.5
112.08733	0.5
112.96721	0.5
113.02340	1.0
113.06011	1.9
113.08221	0.6
113.95095	1.3
113.96378	17.7
114.06637	0.9
114.10278	0.4
114.96463	0.4
123.04404	0.6
127.03884	5.8
127.07527	1.1
129.99464	1.8
130.97766	0.4
131.96135	41.2
131.97406	15.8
132.95793	9.0
132.97356	0.4
137.02313	19.1
137.05952	1.1
137.07982	0.5
137.09607	0.6
138.02617	0.4
138.05528	0.4
138.06583	0.8
148.98868	0.4
149.97174	100.0
150.96851	23.9
154.97713	3.8
154.99030	1.6
155.03365	50.1
155.06996	4.6
155.09152	2.0
155.10349	0.3
155.12848	0.6
155.97382	0.9
156.03725	1.0
156.10165	0.5
167.98241	10.8
168.97929	0.5
172.98775	6.6
173.98459	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	155.0336
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.00294	0.6
53.03938	2.3
54.93825	0.4
55.01864	0.9
55.05506	1.9
55.93515	1.0
56.05018	0.6
57.03430	0.6
57.07057	1.3
57.14973	0.3
58.06594	0.3
59.04971	0.3
59.06113	0.7
63.02370	1.3
65.03928	1.1
67.01855	20.5
67.05498	3.9
67.21382	0.3
68.02203	0.4
68.05012	0.7
68.99778	30.9
69.03412	1.7
69.07053	1.1
69.96173	3.0
70.06562	0.6
70.08648	1.7
70.95853	12.6
71.04973	1.9
71.06100	0.4
71.94085	1.3
72.04489	0.4
72.08131	0.6
72.57397	0.3
72.93777	43.8
73.02935	0.4
73.93842	0.3
79.05476	0.6
80.04982	0.4
81.03401	6.0
81.04502	0.4
81.07049	3.5
83.01334	2.3
83.04967	2.8
85.02885	1.2
85.06520	0.9
85.07648	0.5
87.00809	0.8
87.04441	0.7
88.96893	4.2
89.02367	0.4
90.94810	11.1
91.05474	0.4
93.06998	0.3
95.01314	0.7
95.04946	2.5
95.06053	0.6
95.08582	1.9
96.05585	0.9
97.03986	0.5
97.06483	0.6
97.07597	0.5
98.07143	1.2
98.09649	0.3
98.20670	0.4
98.98451	0.9
99.04453	2.4
99.05519	0.4
99.08091	0.4
106.97935	0.8
108.95850	2.3
109.02858	10.4
109.06493	1.8
109.07624	0.6
109.10128	4.0
110.06014	0.9
110.07124	0.9
111.04453	2.8
111.08071	0.6
111.98463	4.5
112.01553	0.4
112.08697	0.9
113.02331	1.6
113.05990	2.0
113.07152	0.4
113.08218	0.3
113.96381	17.8
114.06646	0.6
114.10305	0.4
123.04381	0.8
126.98410	0.3
127.03896	9.8
127.04852	0.6
127.07543	1.2
128.07103	0.4
128.08194	0.3
129.05492	0.5
129.99487	2.6
131.96138	4.1
131.97409	17.5
132.95816	11.2
132.96609	0.2
137.02313	12.9
137.05975	1.0
137.09592	0.9
137.13232	0.4
138.05084	0.3
138.06627	0.7
140.04657	0.8
141.06975	0.3
149.97180	11.5
149.98376	0.7
150.96866	30.8
154.99129	1.8
155.03365	100.0
155.06927	5.2
155.09053	1.2
155.12860	1.1
155.14090	0.5
155.97374	2.0
156.03740	2.6
156.10170	0.5
167.98257	1.6
168.97940	1.4
172.98782	0.7
173.98479	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	155.0335
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.00309	0.4
53.03937	1.5
54.93826	1.6
55.01859	0.7
55.05494	1.3
55.93518	1.3
55.94594	0.3
57.03419	0.5
57.04523	0.4
58.06577	0.3
59.04986	0.5
59.06121	0.4
61.37687	0.2
63.02364	1.3
64.80399	0.2
65.03919	1.3
67.01854	20.6
67.05496	1.4
68.02178	0.3
68.05007	0.2
68.99778	29.4
69.03404	0.9
69.04516	0.4
69.96163	15.7
70.00106	0.4
70.06569	0.3
70.95849	12.3
71.01351	0.3
71.04988	0.5
71.06104	0.3
71.69138	0.4
71.94090	6.3
72.08152	0.2
72.93775	37.5
73.20580	0.2
73.93824	0.5
74.04788	0.3
79.01832	0.4
79.05482	0.4
81.03403	6.4
81.04559	0.3
81.07032	1.1
83.01323	2.2
83.04974	1.7
83.08568	0.2
85.02885	0.9
85.06522	0.3
87.00808	0.9
87.04472	0.5
87.97205	1.0
88.96890	3.7
89.95126	0.4
90.94807	10.0
91.01823	0.6
91.05445	0.3
93.07027	0.4
94.96674	0.2
95.01303	1.1
95.04985	1.3
95.06081	0.3
95.08584	0.7
96.05556	0.5
97.02914	0.2
97.03983	0.3
97.06501	0.6
98.07162	0.5
98.98459	0.8
99.04424	1.4
99.05525	0.3
106.97906	0.6
108.95844	1.4
109.02859	9.9
109.06490	0.9
109.07621	0.4
109.10128	1.4
110.03201	0.4
110.05986	0.7
110.07148	0.9
110.98759	0.9
111.04426	1.8
111.08071	0.4
111.98460	5.8
112.08686	0.4
112.96692	0.3
113.02319	1.5
113.05990	1.2
113.08223	0.4
113.95222	1.0
113.96376	14.7
114.06647	0.4
114.94788	0.6
123.04433	0.3
127.03892	10.0
127.05823	0.6
127.07517	0.9
128.04219	0.3
129.05531	0.2
129.99484	3.3
130.97743	0.2
131.96120	24.5
131.97395	14.2
132.94778	0.6
132.95799	12.4
137.02315	24.5
137.05902	0.6
137.09590	0.2
138.02658	0.4
138.05418	0.2
138.06583	0.7
138.09023	0.3
140.04671	0.4
149.97174	63.2
150.96852	33.8
151.97635	0.3
153.01065	0.4
154.97705	2.1
154.99001	1.2
155.03360	100.0
155.06816	2.8
155.09079	1.0
155.12860	0.5
155.97386	2.1
156.03705	3.1
156.07655	0.2
156.10115	0.4
167.23497	0.3
167.98238	7.1
168.97890	1.5
169.68217	0.2
172.98764	4.6
173.98459	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	155.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30435	0.5
53.03940	1.8
54.93826	2.2
55.01866	1.1
55.05504	13.7
55.93515	2.5
56.05017	1.1
56.96556	100.0
57.03437	3.3
58.06592	0.7
60.04498	1.0
60.95843	1.1
61.02911	1.8
65.03931	1.5
67.02970	0.6
67.05491	3.4
68.05027	1.4
68.99780	1.4
69.03430	4.8
69.04524	0.7
69.07040	0.6
69.96165	24.0
70.06590	1.2
70.95853	29.0
70.98110	3.9
71.01318	1.0
71.04987	4.1
71.63024	1.0
71.94090	9.3
71.95247	1.8
72.08155	1.0
72.93777	44.5
72.96040	2.3
73.02901	2.3
73.06538	10.4
74.97591	2.8
77.00793	1.2
79.05494	1.0
81.03416	2.8
81.04504	1.2
81.07039	2.9
82.05346	0.6
83.04958	5.0
83.06080	1.7
83.97623	1.4
84.01559	0.9
84.04479	0.6
84.08125	1.6
84.96021	0.9
85.02888	5.2
85.06519	0.5
85.07654	1.2
87.04458	1.1
87.97198	1.4
88.96888	8.4
88.99146	1.5
89.00794	1.0
89.95095	0.9
90.94811	9.6
91.05467	2.1
92.03091	0.7
92.05797	1.4
92.98634	0.8
95.01339	0.9
95.04961	3.0
95.06063	1.6
95.08582	0.9
96.05573	0.9
96.08109	0.6
97.02308	5.7
97.02882	3.7
97.04033	1.0
97.06490	0.6
97.99167	2.1
98.01285	1.8
98.06071	0.8
98.09659	1.2
98.97566	21.0
98.98442	1.7
99.04455	1.7
100.02466	0.9
101.00796	1.1
102.03349	0.7
103.02328	0.6
104.01308	0.7
104.03082	0.7
105.02048	0.6
106.02837	7.3
106.97906	0.9
108.95844	2.0
109.02237	0.6
109.02877	3.3
109.06480	1.9
109.07622	0.9
109.10133	1.5
110.01264	1.1
110.03078	1.1
110.06031	2.6
110.07162	4.3
110.97546	1.6
110.98754	0.7
111.03767	0.9
111.04464	4.3
111.05570	0.7
111.09231	0.8
111.98461	10.8
112.01591	0.8
112.02789	0.7
112.03957	0.7
112.07554	1.3
112.11219	1.7
112.96733	0.6
112.99104	1.6
113.02367	0.8
113.03538	0.7
113.05991	2.4
113.95091	1.4
113.96378	11.0
113.98651	10.7
114.06619	2.2
115.02653	0.6
115.03331	3.2
116.00175	2.4
116.98595	12.2
117.03902	0.7
117.53565	0.6
118.02818	1.6
119.01827	3.9
119.03589	1.2
119.97292	1.8
120.05257	0.7
121.07746	0.6
125.03587	1.0
127.00642	0.9
127.04002	4.5
127.07556	1.0
127.09495	0.6
128.02281	1.3
128.97765	3.7
128.98586	2.3
129.02209	1.4
129.99496	7.6
130.01736	1.6
130.52571	0.7
131.00162	2.9
131.01895	4.5
131.96124	40.5
131.97397	9.0
131.99661	29.3
132.04236	0.9
132.05104	1.6
132.95808	31.7
133.03424	1.1
134.01248	1.5
134.99641	5.0
137.05954	1.8
137.98375	5.2
138.05449	1.1
138.06335	4.8
138.09062	0.8
139.01477	0.8
140.48544	0.6
143.00078	0.7
145.01698	1.8
145.04988	0.7
146.03993	1.1
146.99603	1.9
147.03284	4.7
148.02782	1.7
149.01172	1.9
149.02936	0.9
149.49208	1.0
149.97177	90.3
150.00708	26.2
150.06081	0.7
150.96860	72.7
152.02184	0.6
153.00868	0.6
154.90717	4.2
154.97696	3.3
155.00131	0.7
155.01286	1.6
155.03369	4.4
155.04610	11.6
155.07005	6.3
155.08162	1.1
155.09331	0.7
155.11754	1.6
155.54819	1.1
155.97386	3.7
155.99667	1.9
156.05023	0.8
156.07671	0.9
156.10181	0.6
156.11322	0.8
158.01295	0.6
158.99638	9.2
161.01170	1.1
163.02679	1.0
164.05183	3.9
165.04350	5.2
165.86343	0.6
166.55452	1.5
167.98245	8.6
168.01753	4.0
168.97903	3.0
169.00140	1.2
172.95195	1.5
172.98788	5.1
173.01178	1.7
173.02473	1.3
173.98468	5.3
174.00687	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	155.1063
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
52.46912	0.7
52.66974	0.6
53.03929	2.0
55.01864	1.8
55.05503	13.9
57.03431	5.2
57.07060	4.0
59.04990	1.0
65.03925	5.0
67.05494	84.9
68.05028	1.4
68.05823	1.3
68.99780	0.8
69.03418	17.5
69.04510	0.7
69.07053	9.5
69.09837	0.6
69.87247	1.9
69.87679	2.3
69.96162	1.4
70.06564	1.1
70.95844	8.0
71.04609	1.1
71.04984	16.8
71.05370	1.1
71.94090	0.9
72.93777	59.1
76.30530	0.7
79.05478	8.5
81.03403	1.8
81.07044	60.1
82.07378	2.1
83.04968	9.4
83.08587	1.2
85.02885	1.1
85.06527	7.9
86.06036	0.9
86.15536	0.6
87.80581	0.8
88.96882	1.8
90.94815	16.7
91.05455	1.9
93.03405	1.3
93.07026	5.4
95.04958	8.1
95.07996	1.4
95.08586	18.2
96.05621	1.3
97.04044	0.9
97.06508	12.0
97.07603	1.1
98.07163	0.7
98.98448	2.2
99.04441	14.1
99.08077	9.5
107.08567	3.1
108.95863	3.9
109.02850	3.5
109.06535	3.9
109.10139	100.0
110.06022	1.4
110.07178	2.1
110.10456	4.4
111.04438	8.2
111.08051	2.6
111.98465	3.4
112.08718	2.4
113.05984	5.5
113.96383	26.0
114.06660	1.4
114.96497	0.7
119.08558	2.3
123.04411	0.7
127.03902	2.7
127.07535	3.1
129.05435	1.3
129.99495	2.1
131.96217	2.0
131.97412	27.9
132.95818	6.9
132.97563	0.8
137.02368	1.1
137.05965	2.3
137.08029	1.0
137.09584	7.6
138.05521	1.5
138.06622	2.7
149.97198	5.0
150.96867	17.7
154.99008	2.6
155.03394	4.3
155.07021	12.0
155.08408	2.8
155.10657	2.6
155.12885	2.8
155.14085	0.8
155.97429	0.9
156.07893	0.9
167.98250	0.8
173.98517	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	155.1063
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03936	1.9
54.03359	0.6
54.12673	0.7
55.01862	2.1
55.05495	16.9
55.93503	1.3
56.05038	0.9
56.96555	1.2
57.03426	4.9
57.04533	1.0
57.06800	1.2
57.07065	23.5
59.04985	1.0
59.06099	1.2
65.03934	4.0
67.05489	81.9
68.05813	1.5
69.03414	21.6
69.07048	8.6
69.96161	1.0
70.06577	1.3
70.12675	4.2
70.95850	14.5
71.01337	1.4
71.04981	21.3
71.94069	1.2
72.93774	75.7
73.93797	0.8
79.05474	10.2
81.03395	3.4
81.07039	56.1
82.06570	2.0
82.07379	1.3
83.04967	8.1
83.08613	1.5
85.02860	1.4
85.06522	11.5
88.96879	5.2
90.94807	19.4
91.05460	2.4
93.07017	4.6
95.04952	9.1
95.08587	22.8
96.04448	1.2
96.05621	0.9
96.08899	1.0
97.06507	13.2
97.07587	1.3
98.07165	0.8
98.98461	1.9
99.04435	17.2
99.08080	11.6
107.08571	3.0
108.95829	3.4
109.02874	4.2
109.06497	4.8
109.10130	100.0
110.06005	2.3
110.07158	2.0
110.10445	3.9
111.04423	8.5
111.08052	2.0
111.09178	0.8
111.98463	5.5
112.08705	2.0
113.05975	6.9
113.96377	29.9
114.06598	2.0
114.10316	0.8
119.08548	2.2
122.07233	1.5
123.04403	1.3
127.03864	4.1
127.07487	2.3
129.05342	0.7
129.99516	3.7
131.96159	3.3
131.97406	26.3
132.95801	16.0
136.38356	0.7
137.02310	1.2
137.05980	2.6
137.09589	12.0
138.06589	1.4
149.97194	8.0
149.98325	1.4
150.96854	36.8
154.99028	1.8
155.03381	4.0
155.07014	11.1
155.08214	1.5
155.10585	3.8
155.11748	1.0
155.12904	1.9
155.14207	0.8
155.97414	1.7
156.07590	1.7
156.31816	0.9
168.97955	1.0
172.98808	1.0
173.98492	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	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96967	0.1
54.98640	0.4
55.05536	0.1
56.96553	20.9
57.03435	0.3
57.97322	0.2
58.06585	0.5
58.73184	0.1
60.04512	0.1
60.95837	0.2
61.02911	0.3
64.63056	0.1
67.05477	0.2
68.99778	0.3
69.03417	0.4
70.06572	0.2
70.98116	0.6
71.01360	0.1
71.04205	0.2
71.04528	0.2
71.04977	0.2
71.95248	3.4
73.02888	0.2
74.06062	0.2
74.97584	0.3
77.00768	0.2
81.03411	0.2
81.07079	0.1
83.00753	0.1
84.01542	0.3
84.96024	0.4
85.02895	0.4
88.99132	0.3
91.00548	0.1
93.02101	0.1
96.01535	0.2
97.02903	0.3
97.99163	0.3
98.01294	0.3
98.06028	0.3
98.97562	100.0
99.04408	0.2
99.97899	0.6
106.01048	0.2
107.01833	0.1
110.97547	0.2
111.00237	0.2
112.99118	0.5
116.00191	0.3
116.98597	88.4
117.98975	0.6
118.00993	0.4
118.03506	0.2
119.01849	0.7
121.01672	0.3
126.00732	0.6
127.01495	1.0
128.98586	0.3
129.01851	0.3
131.00128	1.2
134.01266	0.3
134.02884	0.1
134.99628	49.6
136.00000	0.2
136.01994	0.2
137.00035	0.2
140.00162	2.8
140.06995	0.2
140.98578	0.1
141.00502	0.1
144.03271	0.2
146.99608	0.2
147.03023	0.2
149.01169	0.8
153.00670	6.6
157.62469	0.1
158.01221	3.4
158.09453	0.2
158.11723	0.2
158.15358	0.6
158.99605	0.2
167.02243	0.1
176.02296	0.5
177.00696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51363	0.4
54.98620	0.5
56.96557	14.5
68.92052	0.4
70.24995	1.4
70.25397	0.8
71.95251	2.8
92.97498	0.4
98.97567	100.0
99.97871	0.5
116.98603	87.7
132.96442	1.7
134.02971	1.0
134.99637	47.2
138.33450	0.4
140.00194	3.4
141.96957	2.2
150.97449	0.8
153.00677	6.0
153.47694	0.9
158.01230	3.3
176.02113	0.4
178.90820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98626	1.0
56.96554	24.9
70.46540	1.4
70.46928	1.1
71.35891	0.5
71.95247	4.5
72.29399	0.5
98.97562	100.0
99.97945	0.8
100.92287	0.6
112.99226	0.7
116.98598	92.7
117.99039	1.9
119.01898	2.6
119.51971	0.5
121.01639	1.4
123.63801	0.6
133.99721	0.7
134.99629	52.7
136.00061	2.4
140.00169	2.4
143.00221	1.0
147.03192	0.8
150.97568	0.8
153.00677	8.7
154.01062	0.9
158.01157	3.3
176.02338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.081
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
51.23561	0.4
55.01867	6.1
56.05000	0.8
56.96557	7.9
57.03388	1.7
57.93525	0.7
58.06542	0.5
58.10878	0.4
59.06076	1.4
60.04486	1.1
63.90425	0.5
64.03564	0.5
68.04979	2.0
69.03400	0.5
70.06583	11.9
70.25079	2.2
71.16457	0.5
71.95216	1.9
72.08123	0.6
79.05479	0.6
80.04974	0.7
81.03387	0.8
81.05760	1.3
83.06055	0.8
84.04491	8.5
86.06071	0.5
87.05557	1.1
89.03903	0.4
94.06553	27.1
95.06016	0.7
95.07344	6.9
96.04477	32.3
96.08120	9.0
97.04810	0.5
98.06042	20.3
98.47731	0.4
98.97569	37.7
99.04442	0.5
99.05566	1.2
102.05511	1.5
110.05981	0.7
112.07602	4.1
113.07106	0.7
114.05514	27.3
115.05743	0.4
116.07058	1.2
116.97195	2.3
116.98605	30.3
117.98917	0.6
118.03576	0.5
119.01912	0.5
119.07284	0.6
122.06016	8.0
130.06479	0.8
132.08063	0.6
134.03004	0.9
134.99648	16.9
138.05470	2.7
140.00191	0.8
140.07045	100.0
141.01888	0.5
141.07440	2.9
152.96919	1.0
153.00711	2.5
158.01231	0.9
158.08119	24.3
158.09515	3.4
158.15355	0.9
178.22452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25080	0.2
55.01853	0.2
55.05494	0.3
56.05021	0.9
56.96553	3.9
58.06575	0.5
58.99845	0.4
59.06117	3.9
59.93100	1.6
60.00631	0.3
60.04511	1.6
68.05014	0.4
69.03409	0.6
69.04523	0.3
70.06583	0.5
71.68549	0.2
71.95246	0.8
72.04495	0.4
72.07767	0.3
72.08146	5.5
74.06061	0.6
75.05584	0.7
77.00902	0.3
77.13651	0.2
77.94120	0.5
79.05495	0.4
81.04510	0.3
82.01420	0.4
82.80640	0.2
82.99839	0.9
83.06075	0.5
84.04485	1.1
85.02911	0.4
85.04025	0.2
85.07637	0.8
86.06053	0.9
87.09228	0.2
91.05453	0.6
93.91969	0.2
95.04951	0.4
95.06046	0.4
95.95210	0.4
96.04462	0.4
97.02868	0.4
97.07624	0.6
97.51181	0.2
98.97568	1.7
99.05573	0.7
99.97926	0.7
100.02458	1.5
100.03953	0.4
100.07611	0.4
100.95709	0.3
100.97139	0.7
100.97966	0.4
101.00858	10.0
101.07130	1.3
101.95020	4.4
102.02252	0.3
102.05530	0.9
103.00579	0.3
103.05451	1.1
105.07011	1.4
105.51907	0.2
107.06040	0.3
107.70901	0.2
112.05056	0.4
112.08694	0.3
113.02332	0.8
113.07108	0.5
114.05502	0.6
115.03925	0.3
115.08675	0.3
116.00213	0.4
116.98617	2.4
117.51971	0.2
117.98211	0.3
117.98959	1.3
118.01678	0.4
118.03501	9.0
118.06545	2.5
118.96761	4.6
118.98236	1.0
119.01901	100.0
119.08566	0.7
119.96053	2.8
120.02007	2.3
120.03217	1.4
121.01630	2.6
121.02362	0.4
121.06393	0.4
124.02434	1.8
125.07101	1.0
126.12740	0.6
129.02000	0.2
130.06544	0.4
131.04909	1.0
132.04312	0.4
132.08064	0.8
132.96643	0.2
133.03441	0.5
133.06459	0.6
133.10110	0.8
133.99086	0.3
134.01224	0.5
134.02985	0.3
134.07082	0.3
134.99643	3.4
135.99997	1.9
136.02747	3.9
136.04529	9.3
136.99278	1.4
137.00114	0.9
137.02942	55.0
137.97072	4.5
138.03038	1.5
138.04250	0.6
139.02679	1.2
139.03653	0.4
141.05115	0.5
142.03477	41.7
143.02058	0.3
143.03777	1.8
143.08147	0.9
145.58524	0.3
150.95694	0.5
152.02298	0.3
153.00700	0.5
154.01080	0.3
154.03809	0.7
154.59064	0.8
154.96422	1.8
155.98131	2.2
159.06139	0.4
160.04541	46.5
160.07248	1.2
160.10828	0.5
160.12057	0.5
160.98637	0.3
161.02899	1.8
161.04349	2.3
161.05997	0.8
161.08188	0.5
161.09492	1.1
161.13387	0.3
165.05074	2.3
166.09798	0.3
172.97485	0.5
177.98047	0.4
178.05588	17.8
179.03970	2.7
179.05469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	5.1
60.95144	1.4
64.26761	0.5
68.99884	0.5
71.19128	0.8
71.19444	0.8
74.93142	0.7
78.45167	0.6
82.99798	1.1
98.97569	5.7
101.00861	11.1
101.97743	0.7
102.00952	1.1
102.96857	1.7
106.03839	0.7
116.98607	5.1
117.31758	0.6
118.03452	0.8
119.01900	100.0
119.98809	4.7
120.01985	6.9
120.97878	2.2
121.01646	0.8
126.75610	0.6
134.99622	2.3
137.02936	46.0
137.99802	8.6
138.03047	2.6
138.44627	0.6
138.98894	1.7
138.99910	0.9
140.99690	0.6
142.03499	3.6
143.03656	2.0
144.03265	0.9
145.48856	1.6
153.00673	0.9
156.00870	2.2
157.03412	0.8
158.01222	0.6
159.00708	0.7
160.04453	1.1
161.01424	1.3
161.02951	5.7
161.04626	2.1
165.00642	0.9
179.03972	7.2
179.05531	0.8
184.04677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01858	1.2
55.05507	4.0
58.99081	0.6
65.03932	1.4
67.05520	0.9
77.03919	0.8
78.09434	0.6
79.05485	12.8
91.05466	35.0
92.05803	1.2
93.07038	3.2
95.04967	2.4
103.05448	7.5
105.07015	84.8
106.07359	3.7
115.05410	4.0
117.06995	6.4
118.07824	1.4
119.04927	1.7
119.08566	41.9
120.08897	1.4
121.06443	0.7
125.47388	1.0
128.06230	5.8
131.04895	1.1
131.08548	5.3
133.05539	0.9
133.06480	12.4
133.10112	67.6
134.10414	3.8
141.00439	0.6
143.08539	5.3
145.06534	1.1
146.07249	2.6
161.05959	100.0
161.09587	36.4
162.06294	5.6
162.09961	1.6
166.80722	0.6
174.99768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.59148	0.4
55.01855	1.1
55.05486	1.4
61.10441	0.4
66.78957	0.4
67.05493	2.8
69.03420	4.8
69.07047	1.0
69.50304	3.7
74.06062	0.6
79.05473	3.9
81.07040	2.6
87.04501	0.4
91.05460	13.8
92.05740	0.4
93.07022	4.4
94.67995	0.4
95.04935	0.8
95.08598	0.9
98.50515	0.4
103.05437	2.0
105.07009	48.9
106.06619	0.6
106.07334	1.7
107.04922	2.0
115.05439	2.3
116.06258	0.5
117.07000	2.9
118.04132	0.4
119.04881	0.5
119.08559	14.8
121.06483	15.3
122.06729	0.4
128.06180	6.0
131.04918	4.9
131.08530	2.4
132.05701	0.9
133.06496	5.0
133.10103	30.1
134.10449	1.2
143.08527	6.6
144.09180	0.4
145.06445	3.9
146.07240	27.2
147.07545	1.2
159.08041	0.9
159.11702	0.8
161.05968	7.1
161.09589	100.0
161.13205	12.6
162.05475	1.6
162.10020	4.0
162.13686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03937	0.5
55.01865	0.4
55.05500	6.7
67.05497	0.5
69.03397	0.3
69.07051	2.8
70.97704	0.6
75.60017	0.2
79.05474	2.5
81.07055	1.4
91.05463	8.7
92.05788	0.3
93.07030	1.6
95.04935	0.5
103.05453	1.8
104.06229	0.7
105.03381	0.4
105.07013	18.3
106.07310	0.4
107.08572	1.7
113.02364	0.3
115.05389	1.2
117.07012	3.2
118.04169	0.4
119.08559	100.0
120.05604	0.3
120.08871	3.1
121.06403	0.8
121.10117	3.5
121.29993	0.2
128.06238	0.4
130.07779	0.2
131.04938	0.3
131.08540	2.8
133.06502	1.9
133.10106	18.9
134.03595	0.4
134.10432	0.6
143.08508	0.4
145.10098	0.3
146.07240	0.6
146.10870	1.2
159.11705	1.0
161.05965	2.3
161.07021	0.3
161.08203	0.4
161.09570	3.3
161.13228	23.1
162.05385	0.5
162.09023	0.2
162.13531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
53.03937	1.7
63.02366	1.6
64.42242	0.5
65.03888	0.5
70.32835	1.6
70.33261	0.9
77.03898	0.7
79.05476	11.1
79.71858	0.4
89.03901	69.7
89.46204	0.4
90.04225	1.9
91.05455	1.8
91.70345	0.4
95.04938	3.7
98.20828	0.6
103.05458	1.2
105.04504	0.6
105.07013	0.7
107.04939	13.6
107.05658	0.8
107.08585	1.8
117.03356	54.4
117.06994	0.6
118.03676	1.9
119.04938	0.8
121.06432	0.5
121.10120	0.5
129.50052	0.4
130.06511	0.5
131.04897	1.0
132.02039	1.8
133.02812	1.0
135.04388	100.0
136.04761	2.4
144.24754	0.4
145.02824	43.4
146.03130	1.6
150.03076	0.7
158.05922	0.5
163.03873	98.3
163.11102	0.9
163.14793	0.6
164.04210	3.4
179.93988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03937	3.2
55.01854	0.8
56.96299	1.0
56.96554	9.3
57.03422	1.8
61.02914	1.4
63.02377	2.0
64.44885	0.6
69.03416	1.7
70.98109	0.9
71.04980	5.4
71.19323	0.6
71.19641	1.3
72.24386	0.7
72.69843	0.6
73.02896	0.9
77.00758	1.0
79.05479	11.2
81.29053	0.6
84.01519	0.7
84.07358	0.9
85.02885	4.9
89.00764	1.1
89.03900	82.6
90.01556	0.8
90.04239	2.3
91.05450	0.8
95.04951	4.6
96.01518	0.6
97.02308	4.4
97.02865	1.4
98.01244	0.9
98.97558	3.7
99.02058	0.7
103.19434	0.6
105.04510	1.1
106.02841	6.1
107.04929	16.4
112.99135	5.2
113.01781	0.8
115.03342	3.5
116.98577	2.7
117.03358	64.6
118.03680	2.5
121.01603	0.8
131.00150	6.4
133.02737	0.8
134.99681	1.0
135.04390	100.0
136.04776	3.4
141.01308	0.6
145.01837	1.3
145.02821	37.3
146.03165	1.2
149.01175	3.3
150.01833	0.8
159.04991	0.6
163.03874	70.5
163.08586	1.3
164.04182	1.8
167.02188	0.9
175.02730	1.4
180.00905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03931	1.1
57.62202	0.4
63.02362	1.6
69.37978	4.2
77.03912	0.4
79.05479	9.2
89.03900	65.3
90.04234	1.6
91.05485	0.6
95.04960	2.9
105.04510	0.7
107.04940	13.5
107.05661	0.7
107.13784	0.4
108.05289	0.7
117.03357	54.5
118.03691	1.7
118.04510	0.4
135.04390	100.0
136.04733	3.2
145.02824	43.1
146.03156	1.2
163.03874	80.4
164.04272	2.2
178.07764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00314	0.5
53.03932	2.1
63.02365	2.1
70.20836	2.5
70.21164	0.5
77.03916	0.6
79.05481	10.2
89.03899	74.9
90.04213	1.5
91.05441	0.7
95.04949	3.7
105.04479	0.6
105.79991	0.5
106.53998	0.4
107.04932	15.4
117.03355	58.0
118.03719	1.2
125.65919	0.5
135.04390	100.0
136.04707	2.4
145.02818	37.5
146.03105	0.9
148.13286	0.6
163.03874	70.6
164.04189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0386
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03931	2.3
54.44241	0.6
60.75400	0.6
63.02369	2.4
70.13590	2.9
79.05482	11.0
86.15373	0.6
89.03902	91.4
90.04227	1.4
91.05464	0.7
95.04954	4.5
98.20724	0.7
107.04941	15.4
117.03361	64.0
118.03670	1.3
125.31079	0.6
135.04395	100.0
136.04733	1.9
145.02826	43.7
146.03209	1.2
163.03883	74.8
164.04166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03934	3.1
53.34154	0.5
57.92245	0.5
58.05670	0.5
59.78097	0.4
63.02373	1.6
65.03928	0.5
67.05481	0.6
69.07062	1.1
70.16747	1.3
70.17165	1.0
77.03921	0.5
79.05478	12.7
79.54874	0.4
81.07043	1.2
89.03902	65.2
90.04246	1.2
91.05470	2.8
93.07011	2.7
95.04944	4.6
103.05451	2.0
105.04506	1.1
105.07011	1.6
107.04932	14.1
107.08559	3.5
108.71105	0.4
117.03353	53.6
117.07011	1.3
118.03677	1.6
119.04944	0.8
119.08592	1.1
121.06502	1.0
121.10133	1.4
123.65079	0.5
131.04884	2.5
132.08057	0.5
133.02811	2.2
135.04388	100.0
135.07999	1.2
135.11687	1.2
136.04739	3.1
136.07552	1.3
136.08609	0.5
145.02821	40.2
145.10088	1.4
146.03180	1.3
158.06050	0.6
163.03874	88.4
163.07520	1.7
163.09792	1.1
163.11160	3.7
163.14767	2.0
164.04234	3.1
164.07018	0.6
175.41492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03924	2.4
62.01572	0.5
62.47212	0.4
63.02363	2.2
70.32907	1.9
76.98020	0.4
77.03905	0.4
79.05485	10.8
89.03904	70.4
90.04245	1.7
91.05479	0.9
95.04948	4.5
103.05445	1.9
105.04506	0.7
107.04942	14.8
107.08566	1.0
117.03362	56.8
118.03718	1.3
121.10154	0.5
131.04916	2.8
133.02837	0.6
135.04395	100.0
136.04732	3.0
145.02827	46.2
146.03157	1.5
158.06036	0.6
163.03879	87.7
163.07558	1.3
163.11064	0.8
164.04259	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	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.35120	0.5
53.03930	3.1
55.01863	0.9
55.05505	5.7
57.07068	0.8
63.77408	0.4
65.03923	1.6
66.03468	0.5
67.05495	3.6
69.03417	1.0
69.07056	20.2
69.34038	4.5
77.03889	0.8
79.01796	0.5
79.05484	20.1
81.04522	0.6
81.07043	21.7
83.08607	5.7
89.03903	6.6
91.05465	14.6
92.02626	0.9
92.05799	0.6
93.07030	35.1
94.07385	0.8
95.04951	5.1
95.06065	0.9
95.08589	18.3
103.05450	9.0
105.03381	1.1
105.04507	1.5
105.07013	9.8
107.04946	5.3
107.08575	100.0
108.05555	0.7
108.08170	0.9
108.08909	3.3
109.06498	2.5
109.10138	1.5
115.05441	0.9
116.05029	0.5
117.03370	5.1
117.06989	2.9
118.03539	0.6
119.04939	1.1
119.06039	0.9
119.08578	3.4
121.06496	4.2
121.10125	31.2
122.07137	1.4
122.10480	1.4
123.07985	0.9
130.06516	0.8
130.07764	0.8
131.04906	8.8
132.07985	0.7
133.02849	4.1
135.04391	14.6
135.08026	3.3
135.11673	13.4
135.12556	0.3
136.04741	0.9
136.07564	2.0
136.08688	1.4
136.12001	0.8
143.72517	0.5
145.02831	3.9
145.06468	1.4
145.10135	3.1
146.07101	0.9
147.04312	0.6
147.07959	0.7
161.13252	0.6
163.03876	30.4
163.07504	5.3
163.08553	0.6
163.09775	2.7
163.11163	10.1
163.14793	37.4
164.04221	2.0
164.07022	3.1
164.15164	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	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
56.96558	11.2
57.03419	0.5
60.00620	0.4
65.01174	0.3
65.92625	1.8
67.05497	0.2
68.23095	0.3
68.99770	0.4
69.03413	0.6
69.63103	2.3
70.98117	0.3
71.95241	0.9
73.02906	0.4
78.95266	0.4
79.53830	0.2
80.94942	2.9
81.07044	0.6
81.58874	0.3
82.01438	0.5
82.99808	1.4
83.93639	0.3
84.01586	0.3
84.96024	1.2
85.02887	0.7
89.00793	0.3
91.05456	1.5
95.04955	3.2
97.02850	0.6
98.01273	0.4
98.97561	2.2
99.04452	0.3
100.02457	1.3
101.00863	18.5
102.00965	0.6
109.06515	0.5
115.00656	0.5
115.02416	0.3
116.98604	1.6
118.03516	0.8
119.01901	100.0
119.04889	3.6
120.01980	4.2
120.08101	0.3
121.97523	1.3
123.04414	5.1
124.02427	3.3
124.93899	1.3
127.00713	0.4
128.98619	0.3
131.00166	0.3
133.01694	0.6
133.03444	0.3
134.99606	0.5
136.07556	0.3
137.02940	31.3
137.05940	0.9
138.03067	1.2
142.03482	59.2
142.94913	0.9
142.96526	0.9
143.00099	0.6
143.01888	0.3
143.03622	2.6
145.01685	0.7
146.91827	0.5
146.99602	0.5
147.03279	0.6
147.04349	2.4
148.07584	0.4
153.67456	0.3
160.04538	19.3
160.95998	1.6
160.97580	0.7
161.01207	1.5
161.02939	0.4
161.04724	1.1
163.04373	0.4
165.05191	2.3
165.10225	0.4
165.96536	0.3
166.05038	0.5
166.07246	0.5
166.08574	0.8
173.01247	0.5
182.99644	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15802	0.6
60.40749	0.6
70.50524	2.6
82.99818	1.7
100.02470	0.8
101.00857	14.3
103.79245	0.7
114.06216	0.6
119.01898	100.0
120.01991	3.8
124.02414	5.2
128.69176	0.6
137.02936	40.2
138.03009	0.6
142.03473	97.7
143.03598	5.0
160.04529	30.4
160.05862	1.6
161.04716	1.5
165.05101	2.9
183.06151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00399	0.2
56.96270	0.2
56.96553	4.7
57.03441	0.2
58.99839	0.5
61.02894	0.3
64.19799	0.3
69.03429	0.4
70.48206	0.8
70.99847	0.5
73.02911	0.3
74.85894	0.2
76.43850	0.2
77.00880	0.5
82.99809	1.6
84.96004	0.3
85.02884	0.3
89.00891	0.3
95.04945	0.6
97.02861	0.4
98.97578	1.4
99.01969	0.3
100.02446	1.2
101.00860	21.2
102.00965	1.1
110.97527	0.3
112.51497	0.2
115.02414	0.4
116.98602	1.0
118.03494	0.7
119.01899	100.0
120.01981	4.5
122.05986	0.5
123.04397	0.5
124.02421	4.8
129.21614	0.3
131.00160	0.3
131.01881	0.3
133.03490	0.4
134.99614	0.5
137.02934	29.8
138.03029	1.6
141.05113	0.3
142.03474	60.9
143.00139	0.9
143.01862	0.3
143.03624	3.1
147.04391	0.4
160.04527	18.0
161.01222	1.1
161.02919	0.7
161.04668	0.9
165.05092	2.3
166.08594	0.3
173.02960	0.2
183.06163	0.5
183.34407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02398	0.2
53.03932	0.3
55.01862	0.6
55.05499	0.4
56.05024	0.2
57.01513	0.2
65.03933	1.7
67.05495	1.1
68.05026	0.2
68.99795	0.3
69.03410	1.9
69.79942	0.2
69.80275	1.5
70.06553	0.2
71.31830	0.2
79.01871	0.2
79.05477	0.6
81.03397	0.4
81.07053	0.9
83.06101	0.3
91.05467	23.5
92.05790	0.5
93.07054	0.3
95.04968	1.0
95.08587	0.6
101.00867	0.6
105.07005	0.4
109.06507	0.9
109.10130	0.4
117.06944	0.2
119.01952	2.5
119.04925	56.1
119.08520	1.2
120.02008	0.3
120.05233	1.4
120.08076	0.3
122.07197	0.4
123.04405	2.0
123.08039	0.9
124.08653	0.4
137.02931	0.8
137.05959	6.2
137.09595	0.7
138.06332	0.2
141.05363	0.2
142.03477	1.6
147.04387	100.0
148.04715	2.6
148.08647	0.3
160.04514	0.5
165.01816	1.1
165.05457	18.6
165.09064	0.9
165.11304	0.4
166.08607	0.2
183.02849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50453	0.2
53.03929	0.2
55.01853	0.7
55.05506	0.4
56.05023	0.2
56.72435	0.1
60.77231	0.2
60.87855	0.2
63.02337	0.2
65.03919	1.9
67.05494	1.2
68.05019	0.3
68.99772	0.2
69.03415	2.4
70.06588	0.4
71.43246	0.4
79.05463	1.0
80.05020	0.2
81.03391	0.5
81.04519	0.2
81.07048	1.1
82.06577	0.3
83.06078	0.6
85.07646	0.2
86.95293	0.2
89.03898	0.2
91.05460	25.5
92.05788	0.6
93.07027	0.8
94.06605	0.3
94.57469	0.2
95.04948	1.5
95.06076	0.2
95.08578	0.7
97.07620	0.2
98.07138	0.2
101.00850	0.7
105.07020	0.8
107.04921	0.5
107.06048	0.4
107.08564	0.4
109.02841	0.2
109.06540	0.9
109.07621	0.3
109.10117	1.2
117.07000	0.3
119.01924	4.5
119.04918	56.1
119.08535	2.1
120.02003	0.3
120.05215	1.3
120.08071	0.3
121.10104	0.2
122.06202	0.2
122.07171	0.5
123.04415	2.0
123.08059	1.0
124.08684	0.6
133.02837	0.3
137.03029	1.3
137.05948	7.2
137.09555	1.2
138.10168	0.2
141.05402	0.4
142.03476	2.8
142.96782	0.2
147.04378	100.0
147.11600	0.4
148.04752	3.0
148.08633	0.4
160.04514	1.1
165.01839	1.3
165.05446	18.4
165.09045	1.6
165.11333	0.6
165.12666	0.3
166.05859	0.6
166.08615	0.6
183.02818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.72256	0.2
51.02358	0.2
53.03940	0.5
55.01867	0.4
55.05496	1.3
56.05029	0.3
56.61688	0.2
57.03426	0.4
57.14115	0.1
58.06595	0.3
59.06121	0.1
64.73038	0.2
65.03928	1.8
67.01831	0.2
67.05492	7.3
68.04998	0.4
68.99792	0.2
69.03425	1.5
69.07056	0.6
70.06577	0.6
70.33458	0.5
72.22047	0.1
79.05477	2.4
80.04995	0.5
80.71676	0.2
81.03409	0.9
81.04538	0.3
81.07043	3.3
81.07529	0.2
82.06557	0.5
83.04977	0.5
83.06087	0.9
85.07673	0.2
91.05464	29.6
92.05804	0.7
93.07028	2.2
95.04952	5.2
95.06105	0.5
95.08597	3.4
97.02853	0.3
97.06509	0.3
97.07629	0.3
101.00859	0.4
103.05439	0.5
105.03368	0.2
105.04523	0.2
105.07013	1.8
107.04945	1.1
107.06076	0.5
107.08574	2.0
108.05651	0.3
109.02837	0.5
109.06502	2.2
109.07661	0.4
109.10136	6.2
110.07200	0.2
111.04433	1.3
111.09180	0.3
117.07003	1.0
117.14977	0.2
119.01923	4.0
119.04922	55.8
119.08553	5.6
120.02001	0.2
120.05222	1.7
120.08087	0.8
120.08901	0.3
121.06489	0.5
121.07621	0.2
121.10109	0.8
122.07156	0.7
123.04420	2.9
123.08047	3.2
123.11682	0.8
124.05150	0.3
124.08701	0.7
125.05909	0.2
125.09494	0.4
129.06973	0.4
132.05623	0.2
133.02826	0.4
136.07573	0.3
136.08585	0.2
137.02989	1.3
137.05948	1.9
137.07980	0.3
137.09581	6.3
137.13216	0.2
138.06587	0.2
138.10168	0.3
142.03482	2.6
142.96701	0.4
147.04384	100.0
147.07994	3.3
147.11671	0.7
148.04749	3.0
148.07608	0.2
148.08618	0.8
150.06831	0.2
160.04514	1.0
165.01823	0.6
165.05481	4.8
165.07581	0.6
165.09084	4.7
165.11349	1.0
165.12729	2.4
166.04897	0.3
166.08531	0.9
168.62395	0.2
175.92020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	hinokitiol
Peak:m/z	Relative Intensity
50.03382	0.4
53.03933	1.2
54.54110	0.4
55.01851	0.8
55.05503	3.0
57.03431	0.4
65.03924	0.8
67.05494	20.4
69.03409	1.4
69.07055	1.1
69.92879	2.4
79.05475	3.4
80.05000	0.6
81.03398	1.0
81.06608	0.7
81.07044	9.2
83.04961	5.1
83.93008	0.5
90.31867	0.4
91.05466	10.6
93.07027	2.2
95.04958	6.9
95.08593	3.6
101.00845	1.1
103.05433	0.5
104.06234	0.4
104.81638	0.4
105.07037	2.2
107.04942	3.1
107.08574	2.0
109.02834	0.7
109.06485	3.5
109.10136	21.4
110.10422	0.8
117.07016	0.7
119.01907	8.8
119.04929	6.3
119.08559	16.5
120.01941	0.6
120.08115	0.8
120.08940	0.5
121.06491	1.7
121.10130	0.5
122.07267	12.2
123.04428	1.2
123.08035	1.4
124.08598	0.4
133.02821	0.7
136.07527	0.8
137.02966	3.6
137.05989	2.2
137.09590	46.5
138.05536	0.6
138.09961	1.5
142.03465	5.4
142.96657	1.4
143.03607	0.5
147.04387	12.4
147.08037	1.4
147.11644	1.0
148.04826	0.7
160.04562	2.2
165.01779	0.8
165.04391	1.4
165.05617	3.3
165.09085	100.0
165.12662	3.6
166.08514	1.9
166.09492	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	165.0907
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02367	0.5
53.03936	2.4
55.01871	0.7
55.05505	0.4
57.03404	0.6
58.07788	0.3
65.03923	0.4
66.04708	0.3
67.05495	1.5
69.03424	0.7
70.86573	0.6
70.86903	0.3
77.03926	0.7
78.04698	0.4
79.05478	28.2
80.05817	0.5
81.03387	0.6
81.07033	1.2
83.93060	0.3
90.04697	0.7
91.04918	0.5
91.05463	7.5
91.33563	0.2
92.06245	1.0
93.07034	0.5
94.04134	0.4
95.04949	7.9
95.08577	0.7
101.00854	1.4
101.02566	0.3
103.05447	30.4
104.05782	0.8
105.04498	1.2
105.07008	71.8
106.07349	2.1
107.04942	2.2
107.08567	0.8
109.06530	2.4
109.10146	0.9
115.05404	0.7
117.06963	0.8
118.04147	2.3
119.01077	0.6
119.01899	9.1
119.04919	5.4
119.08537	1.0
120.02013	0.5
120.05704	12.7
120.08085	0.6
121.06568	1.3
121.10143	0.5
122.07259	1.0
123.04395	0.7
123.08038	0.7
133.06477	3.4
134.07214	0.9
135.04431	1.9
135.08025	23.8
136.07498	0.4
136.08395	0.5
137.02940	4.1
137.05910	1.3
137.09593	1.5
142.03471	5.8
142.96667	1.0
143.03641	0.5
147.04381	6.2
147.07986	0.4
147.11681	0.8
149.05940	1.5
150.06729	17.6
151.07076	0.8
160.04535	1.9
165.05579	1.8
165.09081	100.0
165.12721	1.8
166.04997	0.9
166.09421	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03926	2.7
55.01856	2.6
55.05497	8.5
56.05014	2.3
56.85957	1.0
56.96535	1.4
57.03426	6.1
57.07058	5.8
59.04977	4.8
65.03936	6.6
67.05496	47.8
68.05006	3.9
69.03419	13.5
69.07052	11.0
70.06569	3.8
71.04992	2.0
71.06065	1.1
71.68601	1.4
79.05482	22.9
80.04977	3.0
81.03400	4.0
81.04523	2.8
81.04940	1.1
81.07041	43.6
82.06564	1.9
82.07377	1.5
83.04973	5.1
83.06075	5.4
83.08594	2.5
85.07629	2.0
91.05466	46.4
92.05782	3.1
93.07036	13.5
95.04956	65.5
95.05980	2.4
95.08591	41.1
96.05229	1.6
97.02885	1.3
97.07610	2.6
101.00854	3.1
103.05444	3.1
104.06251	1.2
105.07013	23.8
107.04958	6.7
107.06065	3.1
107.08576	52.8
108.05676	2.1
108.08882	2.0
109.02854	2.8
109.06501	33.0
109.07626	3.0
109.10136	23.3
110.07280	2.8
110.10444	1.5
110.56195	1.3
111.04391	1.4
111.08037	1.3
111.09207	1.4
111.70322	1.3
117.06989	6.5
119.01903	21.2
119.04060	1.5
119.04925	35.3
119.08566	50.0
119.09418	2.4
120.05283	2.7
120.08070	9.4
120.08864	2.2
121.06476	2.9
121.07577	3.5
121.10117	10.6
122.03631	1.2
122.07151	6.1
123.04427	5.8
123.08050	44.7
123.11689	32.7
124.08678	5.2
125.09473	2.3
129.06982	2.6
132.05705	5.1
133.02826	3.0
135.08000	1.8
135.11601	1.1
136.07555	3.6
136.08728	2.3
137.02983	8.3
137.05933	9.2
137.07961	1.5
137.09595	34.3
137.13213	7.5
138.05444	3.5
138.06453	1.5
138.10117	2.0
142.03488	14.4
142.96646	2.6
143.03705	1.4
145.10039	1.3
147.04391	61.4
147.08017	22.9
147.11661	11.9
148.04755	3.5
148.07544	1.7
148.08614	4.4
160.04526	5.4
165.01846	3.5
165.04266	1.3
165.05479	10.8
165.07651	2.4
165.09085	16.5
165.11417	6.5
165.12724	100.0
166.04962	4.0
166.08569	10.3
166.09785	1.8
166.13106	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	166.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05513	1.3
56.05030	1.0
56.96556	100.0
57.03423	4.4
58.03765	0.7
58.99862	1.5
59.04989	0.8
59.99925	0.6
60.04518	0.9
60.95845	3.9
61.02913	2.8
61.68455	0.7
65.03930	1.9
65.92622	4.4
67.05494	1.9
68.98296	0.5
69.03417	5.4
70.06577	1.7
71.01366	0.7
71.04985	2.3
71.67229	0.6
71.67648	1.0
71.95252	13.6
72.96037	4.0
73.02924	3.6
73.06577	0.6
74.02429	2.3
74.06079	1.0
74.52670	0.6
74.97604	2.1
75.01028	0.5
77.00882	1.8
78.00967	0.9
79.05490	1.2
80.05014	1.6
80.94954	7.2
81.03403	1.5
81.07050	0.6
82.06579	0.6
83.00765	1.2
83.04973	1.9
83.93671	0.7
84.08124	1.2
84.96015	5.1
85.02896	4.6
86.51756	0.7
86.99312	0.5
87.02657	0.7
87.04456	0.9
88.01778	1.0
89.00769	1.0
90.01516	1.0
90.04251	0.5
90.97050	0.9
91.00555	0.6
91.02357	0.8
91.05466	1.8
92.01289	1.5
92.04974	1.4
92.05801	1.3
93.07027	1.9
94.06525	0.9
94.51529	0.8
95.01325	0.9
95.04948	1.9
96.01489	0.6
96.04480	0.8
96.05278	1.7
96.08147	0.6
97.02307	2.0
97.02894	2.6
97.99147	0.9
98.01268	0.8
98.03934	0.6
98.95980	1.8
98.97559	5.7
99.02039	1.0
99.04406	0.9
100.00922	0.5
100.02469	2.3
101.00842	4.5
101.02479	0.7
102.00916	8.2
102.02197	4.2
102.96952	1.6
103.00585	3.2
103.02395	2.3
103.05450	3.3
104.01263	0.7
105.00341	1.3
105.03699	0.7
106.01009	0.6
106.02827	3.6
106.06567	0.6
107.05008	0.8
107.07319	1.3
107.08552	0.9
107.96032	0.8
108.04449	0.8
110.01278	1.3
110.02148	0.6
110.05997	1.1
110.97549	0.7
111.02872	0.6
111.04442	0.8
112.01015	1.1
112.99092	1.0
113.00899	0.6
113.02373	1.3
115.02407	6.9
115.03221	1.2
115.51964	0.7
116.00215	1.4
116.01228	1.9
116.07095	0.9
116.98612	4.7
117.02045	0.7
117.03955	2.0
118.03506	2.0
119.01896	37.2
119.03596	1.3
120.01986	71.9
120.05269	1.8
120.08080	20.1
120.97944	1.0
121.01649	23.6
121.06491	3.8
121.97546	5.2
122.05985	0.7
123.04436	1.5
123.06761	0.8
124.02389	0.8
124.04759	2.2
124.93879	3.3
124.95464	0.8
124.99098	1.9
124.99948	0.9
125.00867	0.6
125.01727	0.7
125.02576	2.1
127.01489	0.7
127.03846	0.8
128.97771	1.3
128.98602	1.9
131.00203	3.3
131.01889	8.1
131.03627	0.7
131.04854	0.7
132.01883	0.8
133.01636	1.7
133.03421	9.8
133.05055	0.6
133.11476	0.5
134.00439	0.9
134.02258	1.9
134.03473	0.6
134.99651	4.0
135.03082	0.7
135.05011	1.1
136.07558	2.4
137.02937	15.1
137.05920	1.7
137.98335	2.1
138.03032	33.8
138.05305	3.3
138.99011	1.1
139.02660	10.1
142.03471	9.1
142.94911	1.9
142.96526	5.6
142.98524	0.6
142.98924	0.8
143.00130	12.5
143.01974	3.9
143.03596	47.4
143.53088	0.7
144.03209	15.1
144.04228	1.1
145.01624	1.0
145.03419	1.5
145.54961	0.6
146.99593	1.9
147.03206	0.7
147.04974	2.4
148.03723	0.9
148.04736	2.2
148.07539	1.9
149.01208	3.2
149.02959	1.5
149.05936	1.8
149.49120	0.8
151.04382	0.6
154.03648	0.9
156.05031	0.8
157.03427	1.0
158.99675	0.8
159.04985	1.4
160.04543	3.0
160.95981	6.3
160.97546	14.4
161.01189	29.1
161.02913	15.4
161.04680	22.7
161.06558	1.3
161.97156	1.0
162.03036	1.2
162.04230	5.0
163.02782	0.6
164.96770	0.6
165.96481	0.8
166.01732	1.0
166.04990	11.2
166.07385	0.9
166.08595	17.8
167.02057	0.7
167.03418	0.7
167.04689	0.6
167.06931	1.1
173.02873	0.6
175.02855	0.8
175.04445	0.7
177.00710	1.1
177.06088	0.8
178.98639	4.0
179.02229	5.5
179.03961	2.6
183.97575	1.0
183.99100	1.1
184.02795	1.7
184.04514	2.0
184.06128	0.9
185.02924	1.5
189.00673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.62402	0.1
64.15736	0.1
71.42614	0.1
71.42947	0.3
75.85361	0.1
76.94559	0.1
77.03907	0.3
79.05024	0.2
79.05472	1.9
91.05449	1.2
93.07026	3.4
93.07581	0.2
94.06528	0.2
95.04961	0.4
103.05449	15.1
104.05768	0.4
105.07010	0.2
105.19698	0.1
107.04942	2.1
108.99194	0.1
115.57780	0.1
118.06480	0.2
119.01937	0.1
119.07265	0.2
120.08082	100.0
121.07616	0.3
121.08425	3.5
124.07681	0.1
131.04904	1.9
148.07584	0.2
149.05969	0.5
165.48782	0.1
166.04987	0.1
166.08598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13206	0.4
50.76295	0.5
53.03942	1.2
55.01871	0.6
55.05502	6.8
56.05032	2.2
56.96551	1.4
57.03448	0.4
65.03931	1.7
67.05491	4.2
68.05009	3.4
68.05832	0.6
68.21168	0.4
69.03413	38.5
69.07063	2.6
70.03761	1.0
70.06575	21.7
70.19621	1.9
71.04993	0.9
79.05473	15.0
80.05009	4.0
81.03368	0.6
81.07037	47.3
82.06559	1.7
82.07385	1.8
83.04959	1.0
83.08598	1.0
83.93044	1.3
84.04484	2.9
84.08118	2.6
84.96006	1.2
86.06046	37.9
87.04449	1.0
87.06400	0.6
91.05468	2.5
92.05803	0.8
93.07024	3.3
94.06555	2.7
95.04958	2.4
95.08580	1.2
96.04492	0.6
96.05289	1.1
96.08108	25.0
97.06516	1.4
97.08452	0.7
98.06031	100.0
98.09653	2.2
99.06358	2.3
101.72963	0.5
101.94033	0.4
102.00948	0.4
102.02216	0.5
103.05453	0.9
105.06995	0.9
106.06528	0.6
107.04906	1.0
107.08578	1.9
108.04459	0.7
109.06500	0.8
110.04076	0.4
110.06026	0.7
110.09688	0.6
110.10406	0.5
111.04446	0.9
111.08048	0.5
112.07581	21.5
119.01884	1.0
119.95087	1.2
120.01992	2.8
120.03239	0.6
120.04397	0.4
120.05247	1.2
120.08086	6.2
120.08878	0.6
121.01644	1.6
121.02840	1.0
121.06480	2.9
121.10097	1.5
123.04380	2.3
124.07562	77.2
125.02396	0.6
125.05968	0.5
125.07933	2.0
127.88310	0.4
133.97411	0.5
136.07533	5.3
137.05939	0.5
138.03018	1.5
138.05479	2.6
138.09050	1.6
138.09987	1.0
138.12733	1.0
139.02673	0.7
139.03862	0.6
139.07487	0.9
142.03476	0.6
142.96658	6.6
143.03624	2.2
143.96648	0.6
144.03194	1.0
148.04733	1.9
148.07544	2.1
148.11154	1.9
149.02287	1.8
149.05939	0.9
149.09572	1.4
155.12393	0.4
160.96022	0.6
161.04694	0.6
165.98204	1.2
166.04877	3.5
166.08536	17.6
166.12213	19.5
167.03358	2.4
167.06973	5.8
167.08650	1.6
167.10651	1.4
167.12631	0.7
171.01881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	3-Ethoxy-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02390	0.6
52.03149	0.6
53.03939	2.2
54.03487	0.4
55.01849	1.9
55.05506	3.8
56.05011	1.3
57.03417	0.8
59.04979	0.7
59.06098	1.2
65.03668	0.4
65.03928	4.3
66.04694	0.9
67.05492	4.9
68.05005	1.3
68.99771	1.1
69.03432	2.1
69.07050	3.1
69.68425	1.9
69.68851	1.2
70.06579	18.2
71.04981	0.5
72.08141	1.2
77.03913	0.7
78.04696	18.3
79.05034	0.5
79.05474	11.3
80.05014	0.8
81.03397	1.7
81.04517	1.4
81.07041	5.8
82.06573	2.1
82.07362	0.5
83.04970	3.2
83.06090	2.1
83.08599	1.2
84.04464	0.5
84.08109	1.0
85.02881	0.7
85.06510	0.5
85.07633	1.1
91.05463	6.1
93.03386	2.1
93.07028	9.4
94.04148	0.5
94.06549	1.3
95.04950	9.1
95.06036	0.6
95.08591	3.5
96.05693	1.4
97.02874	0.8
97.06508	2.8
97.07593	1.0
103.05446	0.9
105.03349	1.4
105.04482	0.7
105.07002	3.9
106.04151	6.3
107.04939	5.1
107.06075	0.5
107.08573	11.1
108.04457	1.2
108.05660	0.4
109.02848	3.1
109.06503	9.3
109.07617	7.3
109.10125	1.5
110.03638	0.9
110.05975	0.6
110.07159	0.8
110.08429	2.6
111.04427	5.5
111.08041	1.8
111.09184	3.1
112.07540	0.5
119.04913	0.6
119.08562	0.6
120.02057	0.5
121.01643	2.1
121.02844	5.4
121.06493	5.4
121.07385	0.7
121.08365	0.5
121.10123	9.6
122.01405	0.4
122.03623	1.4
122.05998	1.3
122.07132	2.3
123.04410	30.7
123.08040	2.9
123.09178	1.0
123.11674	1.6
124.05192	9.9
124.08681	1.8
125.06041	2.1
125.07220	0.4
125.08221	0.8
125.09604	2.6
125.10396	0.4
126.05539	0.8
126.06546	0.5
126.10277	0.5
127.07433	0.5
127.11058	0.5
131.08545	1.6
132.09407	0.5
133.07571	0.5
134.03618	1.8
135.04402	1.6
137.05939	1.0
137.09579	1.7
137.10519	0.5
138.03061	0.5
139.02742	1.5
139.03868	22.8
139.07492	1.7
139.11154	2.1
140.04193	0.8
140.07043	0.6
140.08147	0.5
144.03220	1.1
147.04291	0.5
149.02318	9.1
149.04866	1.3
149.05965	2.9
149.09599	3.3
149.13257	0.7
150.05431	0.6
150.06549	0.6
150.10245	4.8
151.03879	4.8
152.04636	6.3
162.04289	0.6
164.92805	0.4
167.03374	11.3
167.07007	100.0
167.10597	5.3
167.12901	2.0
167.14275	1.3
168.03981	0.9
168.07503	3.5
168.11299	0.5
169.02260	0.5
179.25536	0.4
186.74225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0852
Annotation	Phenalene
Peak:m/z	Relative Intensity
52.49190	0.1
53.03936	0.5
55.01861	0.4
55.05505	0.6
59.05008	0.1
65.03944	0.4
67.05486	1.2
68.05001	0.1
68.99775	0.1
69.03426	0.4
69.07054	0.8
70.06590	0.1
71.04976	0.3
71.69936	0.1
71.70319	0.2
77.03901	0.2
78.04703	0.5
79.05475	1.7
81.03419	0.4
81.05306	0.1
81.07038	1.2
82.06570	0.1
83.04968	0.8
83.08612	0.3
85.02872	0.2
85.06502	0.2
90.32278	0.1
91.05463	2.8
93.03401	0.1
93.07027	7.1
94.06538	0.2
94.07364	0.2
95.04951	5.1
95.08595	1.3
96.33147	0.1
97.02889	0.2
97.06506	1.3
103.05459	1.2
105.04510	0.3
105.06996	0.8
106.04135	0.1
107.04942	0.4
107.08572	1.5
108.05720	0.1
109.02884	0.3
109.06529	0.5
109.07623	0.1
109.10117	0.1
111.04420	0.4
111.08064	1.0
119.08635	0.1
121.01653	0.1
121.02856	0.3
121.06482	7.9
121.10102	1.5
122.06033	0.1
122.06963	0.2
123.04406	1.4
123.08046	0.9
123.11691	0.3
123.50983	0.1
124.05170	0.3
125.05971	0.6
125.09625	0.3
127.05412	0.2
128.06213	0.5
131.08533	0.2
137.05917	0.1
139.03825	0.3
139.05405	0.2
139.07507	0.6
139.11163	0.2
141.06992	0.7
145.06480	0.6
147.71236	0.1
149.02293	0.5
149.05928	1.2
149.09587	0.5
149.13232	0.4
150.05518	0.2
151.03862	0.1
151.05406	0.2
152.06180	29.1
153.06792	1.6
155.05975	0.4
165.06976	16.4
166.07750	6.9
167.07072	7.7
167.08517	100.0
168.05582	0.2
168.09015	4.1
169.06462	2.6
169.07889	0.2
170.06740	0.2
179.05977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01855	0.4
55.05507	2.9
56.05026	0.6
57.03424	2.1
57.07069	0.4
59.04979	0.2
59.06102	0.4
62.04482	0.2
65.03930	0.9
67.05495	4.6
68.05007	0.7
68.99780	2.8
69.03422	0.7
69.07064	0.8
69.55637	0.2
69.91125	1.0
69.91549	0.4
70.06580	100.0
71.04984	0.5
71.06910	1.2
79.05482	2.8
80.05024	0.6
81.03407	3.1
81.04521	0.2
81.07043	13.5
82.06568	0.3
82.89303	0.2
83.04967	11.0
84.08156	0.4
84.21655	0.2
85.02895	10.8
91.05469	11.2
92.05827	0.3
93.07040	1.3
94.06563	0.4
95.04947	2.2
95.08582	1.2
97.06512	0.5
97.07639	0.5
98.06023	0.3
99.04441	0.4
105.07033	2.3
107.08582	1.3
108.04438	0.4
108.08138	0.3
109.02856	2.7
109.06524	2.6
109.07626	0.7
109.10145	0.6
110.06081	0.2
111.00802	0.7
111.04444	0.7
111.09194	0.8
118.14969	0.2
121.06475	0.3
121.10104	0.3
122.06010	0.6
122.09631	1.1
123.00778	0.3
123.04420	3.2
123.08089	0.5
123.09129	0.3
123.11683	1.9
126.03159	0.6
126.05530	0.9
127.03899	1.8
133.02838	0.7
133.10120	1.2
139.03874	0.9
139.11168	0.3
140.07043	0.3
141.05447	2.3
150.02724	0.5
150.05453	0.6
150.09120	0.4
150.12720	1.2
151.03885	6.4
151.11183	3.8
161.04443	0.2
168.06534	2.5
168.11430	0.5
168.13815	15.2
169.04941	4.6
169.14247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	1.7
55.04261	0.5
55.05499	3.5
56.05017	1.5
56.96555	10.0
57.03421	1.5
57.07069	0.7
58.02954	0.5
58.06585	2.1
59.06121	2.4
65.03578	0.8
65.03928	13.3
66.04249	0.6
67.05489	6.8
68.05010	2.2
68.99776	1.6
69.03414	2.3
69.04526	0.7
69.07072	2.5
70.03137	2.7
70.06568	3.4
70.50945	0.6
71.04977	1.8
72.04524	0.7
72.08131	2.2
73.02912	0.5
79.05080	0.5
79.05473	3.3
80.04984	1.5
81.03397	4.3
81.04533	1.2
81.05769	1.2
81.07049	4.3
81.69245	0.5
82.02934	0.5
82.03678	0.8
82.06563	3.2
82.20155	0.5
83.04974	4.9
83.06081	1.9
83.08610	0.8
84.04484	1.6
84.08146	3.6
84.96000	0.8
85.02905	5.1
85.04008	0.5
85.06542	0.5
85.07658	1.1
86.06042	0.7
88.09312	0.5
91.05474	1.4
92.05016	0.7
93.03398	2.2
93.05764	1.3
93.07025	2.3
94.06559	2.5
95.04962	6.6
95.06062	1.6
95.08584	7.4
95.75340	0.5
96.04484	3.0
96.06828	0.6
96.08115	4.8
97.02331	0.8
97.02876	2.1
97.06509	1.4
97.07627	1.1
98.06069	1.0
98.07165	1.2
98.09666	0.8
98.21463	0.6
98.97564	1.7
99.04456	1.5
99.05539	0.8
100.04005	0.7
100.07645	0.8
105.03384	1.6
105.06996	1.2
106.06510	1.2
107.04932	1.3
107.08572	0.9
108.08087	1.1
109.02852	9.0
109.06489	3.0
109.07630	3.1
109.10143	1.7
110.03622	1.4
110.06029	21.5
110.07159	2.3
110.08421	0.7
110.09647	0.7
110.97556	0.7
111.00795	3.2
111.04433	19.1
111.05575	0.9
111.08067	0.9
111.09180	6.1
112.05033	0.5
112.99146	0.7
113.05946	0.7
116.98616	1.5
119.01857	1.2
120.08118	1.0
121.06506	0.9
121.08412	2.2
122.06017	0.8
123.00777	0.9
123.04414	13.0
123.08072	1.7
123.09151	1.8
123.11696	1.1
124.07573	100.0
124.11157	3.5
125.05989	4.8
125.06894	0.8
125.07893	1.6
126.03117	6.9
126.09138	9.2
127.03904	2.3
127.07597	0.7
127.08677	0.6
128.02277	0.9
128.07074	0.5
128.98590	0.8
131.00136	1.7
133.02835	11.9
134.03159	1.0
134.06018	4.2
134.99608	0.8
136.07571	1.5
137.08363	2.8
138.09077	3.6
141.05443	18.0
142.08611	2.4
142.12270	1.2
145.03433	1.8
146.96097	0.6
146.97314	0.7
149.01218	1.5
151.03900	7.7
151.07439	1.0
151.08592	1.3
152.04468	0.8
152.07077	9.9
152.08124	1.3
152.10680	50.4
153.05406	0.6
153.10997	1.6
154.02568	0.8
154.07722	0.8
155.03368	1.0
163.97647	0.9
164.02303	0.6
164.98268	0.7
165.00645	0.5
169.03619	0.4
169.04955	11.5
169.07364	0.6
169.08568	1.2
169.09808	2.2
169.13318	2.1
169.14511	0.9
170.05873	0.9
170.08089	3.6
170.09581	2.8
170.12907	0.6
178.04924	0.7
186.99153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0802
Annotation	2-Hyroxybiphenyl
Peak:m/z	Relative Intensity
51.02385	0.3
52.67988	0.2
55.01865	1.7
55.05509	1.9
57.03421	0.3
65.03931	0.6
67.76025	0.2
68.99812	0.3
69.07056	0.6
71.04959	0.3
71.37081	0.6
72.04503	5.3
77.78845	0.2
79.05479	0.9
81.03376	0.3
81.07034	0.4
83.04991	0.5
83.08611	1.7
84.08136	0.3
85.02919	0.3
89.07143	4.0
91.05450	2.1
93.07030	0.4
95.04985	0.5
97.06532	0.6
103.05460	2.5
105.06999	0.7
107.08583	0.4
109.10110	0.3
111.04430	0.8
111.08035	0.3
115.05441	9.2
117.07013	0.8
125.05965	0.5
125.09612	0.3
127.05399	0.8
128.06201	76.6
129.07053	8.1
130.07794	0.6
131.04901	0.9
139.03922	0.3
141.06964	6.9
142.07806	3.4
143.04868	0.8
143.08539	73.2
144.08911	2.1
145.06450	5.2
152.06194	3.3
153.05614	0.4
153.06960	7.1
154.07523	0.3
155.05997	3.9
155.08525	1.2
156.05669	2.8
156.09335	8.4
157.01300	0.5
157.06450	0.7
161.09608	0.4
169.06441	0.6
170.06955	0.5
171.04419	5.7
171.08022	100.0
171.11652	14.2
171.14813	2.4
172.08447	3.2
172.12109	0.4
181.07553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19763	0.3
54.93827	0.3
54.98618	0.5
55.01847	0.3
55.05500	3.4
55.10382	0.3
55.82806	0.3
55.93517	0.4
56.05030	0.6
56.96555	34.7
57.03431	0.5
57.07046	1.4
57.16805	0.3
57.97335	0.3
58.99841	0.3
59.04979	0.8
59.06102	0.5
60.04505	0.5
62.48192	0.3
62.87435	0.3
67.05501	0.9
68.05034	0.5
69.03431	0.6
69.07044	0.4
69.96176	2.8
70.06569	0.4
71.04961	0.5
71.94095	1.6
71.95252	4.9
72.04516	1.2
72.08142	0.6
72.93777	3.4
72.96032	0.5
73.02890	0.4
73.06532	1.4
74.97588	0.8
77.00895	0.6
79.05487	0.5
81.03412	0.7
81.04497	0.4
81.07022	0.5
83.04971	3.3
83.06081	0.7
84.04480	0.6
84.08125	0.4
84.96045	0.6
85.02886	0.5
85.06515	0.4
85.53745	0.5
87.79997	0.4
89.02400	0.3
89.95072	0.4
90.94818	2.3
91.05454	0.5
93.07036	0.4
95.04939	0.5
97.99160	0.6
98.97565	52.6
100.02471	2.3
100.03922	0.4
101.00870	1.3
101.02549	0.7
101.06010	2.4
101.07088	0.4
102.02251	1.1
104.01962	0.7
105.02150	0.7
105.06997	0.4
106.01704	0.3
108.95865	1.4
110.01229	0.4
111.04425	2.9
112.05032	0.8
112.99123	1.2
113.05954	0.6
113.98624	0.5
114.06635	0.4
116.00204	1.0
116.98598	73.6
117.03963	0.6
117.98946	0.4
118.03489	2.5
119.01895	11.8
119.06099	0.3
119.08603	0.3
120.02017	0.9
120.03239	0.9
121.01633	1.0
122.02972	0.6
123.03198	0.7
126.09154	0.4
128.02277	0.5
129.05478	1.8
130.00961	0.9
130.03497	0.5
130.93283	1.4
130.97653	0.3
131.00157	3.8
131.01968	2.0
131.96132	5.9
131.97214	0.6
131.99640	1.6
132.05063	0.6
133.03395	0.9
133.10121	0.7
134.01308	0.6
134.02940	0.7
134.99632	100.0
135.99983	1.0
136.04564	1.1
137.02911	5.3
137.59668	0.9
140.00150	2.7
142.03496	1.9
144.16064	0.4
145.03445	1.3
145.10135	0.5
146.60214	0.9
146.99628	0.9
147.04977	0.4
148.02739	0.4
148.04533	0.5
148.53685	0.5
148.94325	0.8
148.97368	0.8
149.01190	9.5
149.02417	0.5
149.02840	1.1
149.04738	0.5
149.10458	4.7
149.60558	1.1
149.96121	0.9
149.97173	17.1
150.00690	2.6
150.02466	0.9
150.06139	0.6
153.00679	21.8
154.03462	0.7
154.97740	1.1
155.06989	2.4
158.01224	8.3
158.11038	1.6
158.12175	0.4
158.61041	0.4
159.05011	0.7
160.04509	1.1
160.61217	0.6
161.01178	0.5
161.02873	0.7
163.02562	0.4
163.04507	0.6
167.02179	2.3
167.05722	0.3
167.97087	1.0
167.98317	1.7
168.01689	0.5
168.03484	0.5
172.02774	1.3
172.04520	1.9
172.07509	0.6
172.09676	0.6
172.10983	0.6
172.98840	3.3
173.01114	0.6
173.02850	0.7
173.06612	0.8
173.08128	2.8
176.02254	1.6
177.00862	0.7
178.05698	0.5
190.03824	2.8
190.05470	0.7
190.95374	1.3
191.02171	0.6
191.07623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03939	0.8
55.01883	1.0
55.05504	16.1
56.96554	2.2
57.03424	1.3
57.07074	1.7
57.35189	0.7
59.04995	3.3
60.04531	0.6
62.36786	0.8
67.05489	3.8
68.61182	0.6
69.03429	1.5
69.07072	0.8
69.57599	4.3
69.58011	1.5
70.50855	0.6
71.06102	0.8
72.93768	3.5
73.02917	0.8
76.02234	1.0
79.05501	3.1
81.03427	0.8
81.07050	4.6
83.04971	17.2
87.04462	1.8
87.05613	0.8
89.02360	1.7
90.94810	2.5
91.05470	15.8
93.07030	2.2
95.08604	0.7
96.04509	0.9
97.02879	1.4
98.21475	1.1
99.04450	1.1
101.06002	12.9
103.05460	1.2
105.07018	13.3
111.04431	16.5
112.99114	2.1
113.06012	1.9
115.05427	3.9
116.06231	3.4
117.07005	17.2
118.06512	0.9
119.08560	14.4
127.07524	2.5
128.05238	0.6
128.06230	2.1
128.07092	0.6
129.05478	8.2
129.06985	12.4
130.07808	4.0
131.00174	3.8
131.08549	97.6
132.08893	2.6
133.10095	1.7
141.07024	0.9
142.07813	1.2
143.08540	21.9
144.09343	10.1
145.06477	3.3
145.10109	38.1
146.05925	0.8
149.01218	3.4
149.96123	1.2
150.96849	1.6
155.05861	0.9
155.07013	12.2
155.08299	0.7
156.09306	2.1
157.10060	1.9
158.07289	1.5
158.10896	29.9
159.11263	1.0
167.97115	1.6
171.11707	2.5
173.05923	2.3
173.08124	17.3
173.09650	3.3
173.13237	100.0
174.07614	1.2
174.13710	4.2
181.46327	0.6
190.20572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0865
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.56216	0.5
53.03927	1.1
55.01850	2.1
55.05488	1.4
56.96556	34.2
57.03416	2.6
59.06104	0.7
60.04506	1.2
60.05635	6.3
60.95828	0.7
61.02905	2.0
63.02401	0.7
63.78007	0.6
65.03902	0.7
67.05474	1.6
69.03423	6.4
69.07050	2.6
70.06213	1.0
70.06580	17.8
70.48010	1.9
70.48400	1.1
70.98093	1.4
71.01321	0.7
71.04964	1.5
71.95231	0.7
72.08127	1.7
72.93786	0.8
73.02909	3.7
73.06532	0.9
74.97591	2.6
79.05473	1.3
81.03407	1.4
81.07016	0.6
82.02927	4.1
83.01326	0.8
83.04952	1.9
83.06169	0.7
84.08108	2.0
84.96022	0.9
85.02899	5.8
86.06055	0.6
86.09695	8.5
87.04440	0.9
88.24646	0.6
88.99140	1.4
89.02297	0.6
90.01539	0.7
91.05453	4.3
94.06554	6.1
95.04951	1.3
95.08571	0.8
97.02381	0.6
97.02886	5.4
98.01247	0.9
98.03696	1.2
98.97567	18.3
98.98446	32.0
99.04431	1.2
100.04008	0.7
101.00751	0.7
101.02374	0.6
102.53104	2.4
102.96871	0.7
103.02406	0.6
103.05440	2.5
104.04975	3.8
105.07032	4.4
106.02822	1.2
107.00161	0.7
107.04919	0.7
109.02849	1.6
110.01263	0.6
110.03090	0.7
110.97570	1.5
111.04405	1.6
111.53623	8.4
112.03867	0.8
112.07594	9.2
112.08739	0.6
112.99088	2.2
113.03573	1.0
114.03799	0.7
115.03269	0.8
115.03973	0.7
115.05438	2.1
116.07070	4.4
116.97250	1.3
116.98605	19.3
116.99424	1.1
118.03548	0.6
119.01829	2.4
119.04927	1.4
119.08562	4.1
120.54131	0.9
120.97909	0.7
121.06501	0.8
123.04387	1.4
123.53587	0.9
127.03896	1.6
128.02316	1.4
128.98590	3.2
129.05458	0.8
129.06996	1.4
129.53615	1.5
130.06508	94.7
130.08592	9.5
130.09714	1.8
130.54379	0.7
131.00157	6.5
131.04921	1.4
131.06873	2.9
131.08443	0.5
131.99643	1.3
132.04428	88.2
132.54137	1.3
132.95816	1.9
132.97964	0.6
132.99132	0.8
133.03505	1.3
133.04770	2.3
133.06364	0.9
133.10094	3.8
134.99632	18.3
135.53592	1.5
137.02911	0.7
138.54179	1.9
140.00145	0.7
140.04979	0.8
141.04431	0.6
143.00139	0.7
144.54129	1.0
145.01683	0.6
145.03394	0.9
146.07156	0.7
146.99635	4.7
147.03328	0.8
147.04375	3.6
147.08066	1.1
147.09137	1.1
147.11684	0.8
148.07567	0.7
149.01216	5.7
150.96851	1.7
150.99117	1.9
151.00148	0.8
151.93747	0.8
151.97096	0.8
153.00673	3.5
154.03824	0.7
156.03381	3.2
156.06801	1.4
157.07588	35.6
158.05986	100.0
158.99635	1.3
159.06375	2.9
160.97569	0.9
161.01198	1.2
161.04648	0.9
162.99120	0.9
165.00664	0.9
167.02263	0.6
169.00192	1.3
174.04372	6.7
174.55318	0.7
174.99060	1.4
175.02510	1.3
175.04333	2.1
175.07414	1.8
175.08670	18.6
175.11195	2.2
175.11902	2.2
175.14737	2.7
176.02231	1.0
176.07091	1.8
176.09109	1.2
177.00706	1.9
186.04379	7.4
187.04568	0.8
192.05495	1.1
193.00182	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03936	1.1
55.01868	1.2
55.05512	4.6
57.03159	1.2
57.03428	19.0
59.04996	0.9
60.05619	2.3
65.03912	1.4
67.05495	13.2
68.59783	0.7
69.03416	2.9
69.07065	4.6
69.66608	0.7
70.06581	2.3
71.70286	1.4
79.05486	6.9
80.04946	1.0
81.03404	0.9
81.07047	5.6
83.22186	1.0
91.05466	26.8
92.90062	2.4
93.07022	3.7
95.04959	12.6
95.08587	2.8
97.02856	3.0
98.03656	1.4
98.98456	100.0
103.05437	2.9
105.07014	32.2
107.04928	8.8
107.08580	4.0
111.04417	2.0
111.30626	0.9
115.03910	1.5
115.05440	3.7
116.06232	1.2
116.29291	0.9
116.97243	1.5
116.99469	3.6
117.07001	9.9
119.04932	2.2
119.08566	67.3
120.08910	1.4
121.06495	4.3
127.03885	2.0
128.06242	4.2
129.05473	0.9
129.06969	9.6
130.06480	1.3
130.67719	0.8
131.04939	6.2
131.08527	7.7
132.05667	3.8
133.06483	23.6
133.09175	1.8
133.10112	24.7
134.06833	1.2
135.07986	3.2
140.01097	1.1
142.07759	10.2
145.06477	9.6
145.10085	2.5
146.07254	28.8
147.04393	2.0
147.08034	68.5
147.11670	16.8
148.08440	1.8
151.93819	2.2
157.04184	1.2
157.07594	1.7
157.10110	11.1
159.07954	1.3
160.05258	1.2
160.08830	9.1
175.03885	4.0
175.07524	18.1
175.11160	90.7
175.14761	22.8
176.07065	3.8
176.11449	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03926	0.9
55.05502	8.7
57.07054	1.3
58.73641	0.4
63.41822	0.5
65.03932	0.9
67.05504	2.7
69.03425	1.0
69.07053	22.1
70.06566	0.9
70.09747	0.5
74.26983	0.5
79.05479	3.5
81.07034	7.9
83.04991	0.5
83.08618	5.6
91.04922	1.0
91.05460	13.0
92.05837	0.4
93.07028	4.4
95.04933	1.0
95.08588	7.3
97.02869	0.9
98.20727	1.1
98.98447	24.0
100.92764	0.5
103.05421	1.1
104.06203	0.7
105.07009	30.4
106.07298	0.8
107.08572	7.1
111.04428	0.7
115.05412	1.6
116.99495	0.5
117.06999	5.6
118.07821	0.6
119.08556	97.0
120.08794	2.8
121.10114	2.7
125.86485	0.4
129.06969	1.4
130.06519	0.8
131.08533	5.3
132.05687	0.8
132.09282	1.0
133.10101	76.8
134.10368	2.2
135.11655	1.1
142.07738	1.3
143.92496	0.5
145.06441	0.6
145.10078	8.3
146.10902	1.2
147.04370	1.5
147.08017	1.4
147.11661	15.9
148.11998	0.8
157.06451	0.6
157.10089	1.8
158.10840	0.6
159.11693	0.6
160.05177	1.6
160.08855	0.8
160.12437	4.7
161.04753	0.5
173.13187	2.7
175.03856	1.2
175.07492	4.9
175.11369	5.1
175.14789	100.0
176.06985	1.1
176.15225	4.3
177.71616	0.5
180.17534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05508	7.7
56.40483	0.7
65.03956	0.7
67.05485	1.6
68.02551	0.6
69.06685	1.4
69.07056	22.1
71.14641	1.4
79.05478	2.3
81.07044	5.7
83.08608	5.0
91.05460	9.0
93.07018	3.5
94.85719	0.7
95.08587	5.2
98.98438	2.8
99.04910	0.7
103.05474	1.0
105.07018	23.6
106.07342	0.9
107.08569	5.0
115.05367	0.8
117.07034	3.4
118.07753	1.0
119.08561	92.2
120.08868	2.2
121.10142	2.1
127.15546	0.6
129.06876	0.8
131.08521	4.8
132.09337	0.7
133.10107	75.8
134.10513	2.5
145.10088	6.3
146.10815	0.9
147.11662	12.7
159.11601	1.2
160.12439	4.9
173.13216	2.6
175.14798	100.0
176.15073	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	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67241	1.0
68.57343	1.1
69.69814	5.6
69.70230	3.0
74.95305	1.1
85.05843	1.2
102.79169	1.1
110.34180	1.3
132.02092	100.0
133.02501	1.4
153.21971	1.1
176.01077	16.4
177.01500	1.0
177.72710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35596	1.0
56.96556	34.7
57.03414	2.5
61.02912	1.1
69.03399	1.3
70.53828	4.3
71.95245	2.2
73.02911	2.0
74.97600	2.3
84.08121	2.7
85.02879	3.0
89.00729	0.9
96.99753	1.4
97.02876	1.6
97.16706	1.0
98.27917	1.0
98.97566	56.5
100.17183	1.0
100.99110	2.2
101.00861	4.4
103.02404	1.6
106.00272	2.6
107.58688	1.0
108.99683	1.4
113.00839	3.5
115.00726	1.6
116.98603	81.7
117.03956	1.2
118.00248	2.9
118.50293	1.7
119.00172	2.3
119.01063	2.0
119.01886	18.4
120.98064	3.4
121.01658	1.0
123.00285	1.0
125.01002	2.9
127.00763	12.0
127.02363	1.8
127.50811	1.9
128.98570	1.7
129.03944	1.8
129.51106	0.9
129.98555	1.2
131.00235	1.4
131.00978	2.2
131.01889	30.3
132.01927	1.5
133.00768	3.9
133.02411	2.7
133.03362	1.4
133.72005	1.0
134.01520	5.3
134.51610	1.4
134.99637	100.0
135.03107	1.9
136.00055	2.5
137.02885	4.1
138.51477	1.4
139.00734	1.5
140.00146	2.7
140.01514	3.7
141.00456	1.7
141.98599	4.1
142.01349	2.0
143.01990	1.3
144.51538	2.4
145.00755	1.7
145.03441	26.7
146.03571	2.9
146.99603	2.9
148.01328	1.7
149.01175	2.4
149.02968	7.5
150.99078	2.6
151.52390	1.1
153.00685	23.0
154.01292	6.5
154.03464	12.3
155.01837	3.6
158.01262	9.1
158.99597	1.5
161.02937	2.4
162.99112	2.2
163.01807	4.4
163.04486	6.7
164.04597	1.8
165.00656	1.8
172.02351	1.1
172.04514	2.1
173.01299	2.3
173.02922	8.1
174.52568	1.3
174.97739	1.4
176.02277	1.5
177.00713	3.1
177.04134	1.5
191.03978	3.4
192.98694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	16.2
71.32442	1.4
71.95242	2.6
88.74986	0.7
93.07065	0.7
98.97564	100.0
99.97873	0.9
109.59158	0.7
113.00860	0.9
116.98599	82.4
117.98991	1.0
119.01884	1.7
131.01880	12.1
132.83542	0.7
134.02936	0.8
134.99631	50.1
135.03120	2.3
135.99976	1.2
140.00169	3.0
140.28705	0.8
149.02945	1.7
153.00676	7.2
154.03455	3.5
156.97641	0.7
158.01225	3.1
173.02898	1.1
177.00754	1.3
177.05418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73616	0.5
55.01851	0.8
55.05497	0.8
56.96555	26.6
57.03420	1.6
60.05008	0.5
60.95834	1.6
61.02912	0.8
67.05489	0.5
68.99754	0.5
69.03415	2.4
69.07059	0.8
70.06595	0.6
70.48067	0.8
70.48417	2.0
71.01340	0.5
71.04977	1.3
71.95238	2.7
73.02910	2.9
78.04671	0.7
79.05469	1.7
81.03412	1.2
84.08102	0.6
84.96021	0.7
85.02885	1.5
89.03900	3.7
91.05477	2.6
93.07035	0.8
94.06538	0.6
95.04971	0.8
95.08600	0.8
97.02318	0.7
97.02878	1.2
98.97567	93.9
99.04353	0.5
99.97910	1.2
101.00790	0.8
103.02354	0.7
103.05450	0.9
105.07011	12.1
106.02836	2.1
107.04926	2.4
107.08656	0.8
109.02870	2.1
110.03664	1.2
110.07069	0.4
110.97579	0.7
112.99116	2.1
113.00878	0.8
115.03336	1.0
115.05423	4.1
116.10686	1.0
116.98602	100.0
117.01955	1.2
117.03349	6.1
117.05721	0.6
117.06979	2.6
117.98901	1.4
118.02776	0.6
118.06520	0.7
119.01826	2.5
120.05717	3.2
121.01644	0.8
121.06471	0.7
121.10136	1.0
127.03310	1.3
128.02255	0.6
128.98613	2.7
131.00208	2.7
131.01877	5.8
131.04961	0.8
131.06000	0.8
132.08066	13.0
133.03433	2.7
133.06471	24.9
133.07504	1.2
134.03586	0.6
134.99634	66.0
135.04390	1.5
135.99957	0.7
136.07545	0.9
140.00163	3.6
143.04863	0.7
145.01677	1.0
145.02783	8.2
146.99641	1.6
149.01282	2.4
149.02283	0.5
149.02902	1.7
149.05928	2.0
149.07018	0.7
151.04485	0.6
153.00677	8.8
154.03497	2.8
155.00125	0.6
158.01256	3.5
158.99680	0.8
160.06352	1.4
160.07550	33.6
161.01228	1.3
167.02339	0.6
172.04431	1.0
172.95193	1.5
173.01169	1.1
173.02890	0.7
176.02264	0.9
177.00658	3.1
177.02203	1.1
177.05199	3.1
177.06715	3.9
177.08862	0.6
177.10179	2.3
177.16470	0.7
178.04921	0.7
178.08653	0.7
185.02792	0.6
193.03767	0.9
195.01735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.01855	0.6
56.44583	0.3
57.39828	0.4
62.01569	0.4
63.02368	1.4
65.03910	0.5
65.49297	0.3
67.85189	0.4
71.68533	0.8
78.04700	3.3
79.05464	0.7
81.07054	0.5
82.02865	0.4
85.41519	0.4
89.03902	50.4
90.04235	1.3
91.05461	4.0
93.07000	0.8
95.04946	1.2
98.98461	1.6
103.05433	2.1
105.07000	0.8
106.04163	4.0
107.04927	0.7
107.08566	1.2
117.03359	81.2
118.03642	2.0
119.04938	0.6
121.06467	2.0
121.10122	0.6
124.05213	0.9
129.04384	0.4
131.04904	1.3
131.08545	0.8
133.10072	0.5
133.91492	0.4
134.03609	9.7
135.04404	6.3
135.08023	1.3
145.02821	100.0
146.03165	3.7
146.22438	0.4
149.02356	0.6
149.05956	26.0
150.06291	0.7
151.03802	0.6
158.05991	0.8
159.11566	0.5
162.03102	1.5
163.03856	2.3
177.05437	25.4
177.12714	0.6
177.16376	0.3
178.04932	0.5
178.05717	0.4
186.05421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.22141	1.1
53.03933	5.6
55.01852	4.5
55.05505	28.2
57.03428	9.1
57.07063	2.4
65.03919	3.2
67.05494	21.7
69.03410	7.6
69.07060	27.6
69.76597	8.9
71.04969	5.9
71.38227	1.2
79.05483	58.0
80.23891	1.2
81.07046	40.7
83.04951	5.2
83.08261	1.1
83.08619	11.1
89.03911	2.9
91.05469	55.2
92.05785	1.7
93.07030	100.0
94.07375	1.7
95.04947	16.2
95.08007	1.8
95.08586	18.9
97.06522	4.0
98.20704	1.3
98.98450	15.1
102.30903	1.3
103.05437	4.0
104.30782	1.3
105.04517	1.6
105.07014	34.2
106.04117	1.5
107.04933	12.0
107.08579	62.2
108.08904	1.6
109.02857	1.2
109.06512	13.7
109.10161	2.5
115.05422	5.2
116.06219	1.3
117.03365	4.2
117.07003	31.2
119.08566	17.4
121.06490	27.7
121.10136	23.2
122.07245	2.0
123.08070	1.7
129.06975	10.4
130.07756	5.4
131.08556	38.7
133.06458	3.2
133.10115	12.2
135.04375	1.3
135.08035	18.8
135.11668	11.1
144.09323	13.5
145.02798	4.6
148.08818	3.3
149.02330	3.8
149.05966	3.2
149.09608	7.4
149.13248	14.8
157.10194	1.5
159.07993	1.8
159.11671	32.2
177.05469	7.3
177.09171	5.9
177.12726	53.9
177.16333	3.8
178.08539	1.8
178.13161	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	178.1224
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03931	0.4
55.01870	0.3
56.05029	0.3
60.26437	0.3
62.94397	0.2
64.96751	0.3
65.03923	0.3
67.05485	0.8
68.05023	0.5
70.12841	1.5
79.05485	1.0
80.05003	0.6
81.03396	0.4
81.04514	0.3
81.07039	0.5
90.04260	0.7
91.05474	1.6
92.04984	0.5
93.05769	0.4
93.07048	0.6
95.04961	1.1
95.06072	0.5
95.08620	0.4
105.03378	0.9
105.07008	1.6
107.04960	0.3
107.08582	1.0
108.08879	0.3
109.06489	0.3
110.07149	0.6
115.05438	0.5
117.03355	0.5
117.06988	1.3
118.03722	0.9
118.06519	10.1
118.96751	0.5
119.04941	0.7
119.07311	9.3
119.08562	0.5
120.88770	0.3
122.06008	0.4
123.04411	3.5
132.04491	0.4
132.08063	1.5
133.02831	3.7
133.06432	0.8
133.10132	0.5
134.09631	63.6
135.08047	0.3
135.09969	2.3
136.07503	0.8
137.08165	1.5
144.08055	0.3
146.03171	1.2
147.04347	0.7
150.03088	0.9
150.06406	0.5
151.03931	1.5
160.11166	1.0
161.02269	0.7
161.05965	0.6
161.09586	0.4
162.09085	1.9
163.09875	1.1
174.00757	0.3
178.04898	2.3
178.12238	100.0
179.03380	7.1
179.06750	0.5
179.09288	0.5
179.10696	0.7
179.12569	3.5
179.14162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02365	0.4
51.73072	0.2
53.03934	0.6
55.01855	0.4
55.05502	0.3
59.73666	0.2
66.25559	0.2
67.05487	1.8
68.99764	0.6
69.07046	0.4
70.95750	0.6
77.03899	1.7
78.67620	0.2
79.05470	1.0
81.03411	0.6
81.07044	0.6
83.04967	0.4
89.03902	2.6
91.05463	0.9
91.17692	0.2
93.07022	0.5
95.04953	2.2
95.06059	0.4
95.08586	0.5
105.03372	4.9
105.06999	1.5
106.03743	0.3
107.04932	0.8
107.08526	0.4
109.02829	0.6
109.10084	0.4
117.03341	1.2
119.04932	0.6
119.08590	0.6
121.10112	0.3
123.04405	49.9
124.04737	0.9
133.02826	34.9
133.06407	0.6
133.10098	1.3
134.03183	1.1
135.04390	5.0
137.08163	0.9
147.04405	0.5
151.03876	10.3
151.11171	0.5
161.02304	0.5
161.09552	0.4
179.03358	100.0
179.14285	0.4
180.03696	3.5
197.66245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03917	4.1
55.01853	6.9
55.05503	20.1
56.96532	2.9
57.03410	5.5
57.07051	6.1
65.03916	5.1
67.05494	92.6
68.05824	1.9
69.03410	8.9
69.07060	16.2
69.59052	1.4
71.04971	9.6
71.69644	2.6
79.05482	25.7
81.03393	4.9
81.07040	72.4
83.04968	4.7
83.08580	2.5
85.06521	2.4
85.10134	1.9
91.05457	25.4
93.07027	31.8
95.04399	2.5
95.04950	23.6
95.08588	100.0
96.66145	1.5
97.02206	1.4
97.06528	3.1
98.98442	3.0
103.05475	1.8
105.03358	2.4
105.07008	26.9
107.04913	4.4
107.08569	14.5
108.04470	1.8
109.06495	16.1
109.10133	52.4
110.10431	2.7
117.06957	3.2
119.04890	6.5
119.08549	26.3
121.06461	2.5
121.10122	7.5
123.04402	14.4
123.08044	21.2
123.11676	1.8
133.02831	10.8
133.06438	7.4
133.10120	16.7
135.04384	3.1
135.11633	8.0
137.05963	3.6
137.09592	21.4
137.13210	2.9
147.04379	13.4
151.03880	6.7
151.07541	2.8
151.11150	3.5
151.14786	12.3
152.07057	2.6
161.05872	8.0
161.09579	3.0
161.13254	13.3
162.09067	2.9
163.07516	1.7
179.03371	50.1
179.06677	12.4
179.08368	3.0
179.10606	10.2
179.14276	54.5
180.06538	4.0
180.08051	2.0
180.10158	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.72678	0.6
53.03932	1.6
54.22943	0.7
55.01871	2.9
55.05499	6.6
57.03425	7.0
57.07081	2.0
61.72532	0.6
65.03928	1.3
66.08303	0.8
67.05495	40.6
69.03414	4.0
69.07059	9.9
71.04977	3.8
71.47034	1.5
79.05481	32.2
79.46848	0.8
81.07045	100.0
82.07402	2.0
83.04967	6.7
83.08624	3.6
83.09016	0.6
83.63432	0.7
84.18713	0.7
85.06517	9.1
91.05470	32.3
91.06046	1.6
92.05807	0.9
93.06422	1.4
93.07031	42.4
95.04958	5.1
95.08592	77.1
96.08970	1.2
97.05882	0.9
97.06516	18.0
97.07091	1.2
97.07485	0.7
99.08081	10.1
105.07015	35.5
107.08579	20.9
109.06516	6.2
109.10123	6.3
111.08073	6.4
117.07001	2.3
119.04951	1.0
119.08566	58.1
120.08922	1.2
121.10123	17.0
123.04451	1.4
123.08030	10.4
123.11713	1.6
131.08510	0.8
133.02827	1.0
133.06458	1.3
133.10107	34.1
134.10501	1.3
135.11678	31.1
136.11989	1.0
137.09578	3.3
137.13223	2.6
139.01607	0.7
147.04414	1.4
151.11168	1.0
159.11664	0.9
161.05960	1.0
161.13237	93.8
162.13562	2.6
179.03342	4.3
179.06937	1.4
179.14287	91.0
180.03763	0.8
180.14642	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	1.7
55.01865	3.8
55.05498	9.2
57.03430	5.2
57.07057	1.7
60.96880	0.6
65.03933	1.5
65.74664	0.5
67.05492	35.0
68.05833	0.6
69.03423	1.9
69.07054	10.0
71.04974	6.2
71.47085	1.4
72.13725	0.6
76.02218	1.5
79.05479	26.7
79.87235	0.6
81.03413	0.8
81.07040	100.0
82.07369	1.7
83.04964	5.5
83.08591	4.4
85.06527	5.0
86.61146	0.6
91.05463	25.6
93.07024	28.4
94.07364	0.9
95.04949	7.1
95.06081	0.9
95.08588	68.0
96.08952	0.9
97.06511	16.1
99.08076	7.3
103.05434	1.6
105.03383	1.7
105.07013	28.2
107.04917	1.1
107.08572	11.7
108.04461	1.5
109.06505	5.3
109.10131	5.9
111.08057	5.3
113.09651	0.9
117.07000	2.6
119.04919	3.6
119.08555	33.5
120.08864	0.8
121.06484	1.4
121.10116	8.9
123.04428	3.8
123.08041	8.8
123.11689	1.5
130.57549	0.5
131.08554	1.2
133.02814	2.2
133.06480	3.5
133.10101	25.0
134.10489	0.7
135.04414	0.7
135.10643	0.8
135.11670	15.7
137.05981	1.5
137.08218	1.3
137.09578	4.3
137.13223	1.7
140.25409	0.6
147.03259	0.8
147.04395	6.0
151.03885	1.9
151.11168	1.4
151.14731	0.9
155.53152	0.6
161.05975	4.4
161.08229	0.7
161.09560	1.7
161.13231	45.7
162.09070	1.0
162.13550	1.3
179.03362	10.4
179.07079	4.2
179.08359	0.9
179.09125	0.7
179.10672	5.2
179.14278	59.5
180.03719	0.7
180.06480	1.0
180.14627	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	2.4
55.01862	4.2
55.05501	9.9
57.03425	4.1
57.07063	2.8
58.21991	0.6
60.49688	0.7
65.03925	2.1
67.05492	36.9
68.49649	0.7
69.03419	3.3
69.07057	10.7
71.04980	7.9
71.69365	0.7
71.69737	0.7
77.03857	0.8
79.05482	27.1
79.45290	0.6
80.05006	1.3
80.05807	0.8
81.03391	1.4
81.07042	100.0
82.07380	1.7
83.04974	6.5
83.08598	3.8
85.02888	0.7
85.06528	6.5
88.69439	0.7
91.05462	28.2
93.07028	29.3
94.07356	1.0
94.44062	0.7
95.04952	10.0
95.08588	73.5
96.08929	1.5
97.06509	14.5
98.98426	0.9
99.08071	6.8
103.05450	1.4
105.03374	3.1
105.07014	32.7
105.07726	1.6
107.04937	1.8
107.08575	14.3
108.04467	1.7
109.06503	7.2
109.10155	7.5
111.08052	4.7
115.05451	0.9
117.07003	2.3
117.56157	0.7
119.04931	5.8
119.08562	35.1
121.06468	2.0
121.10120	9.7
123.04411	8.3
123.08064	9.4
123.11710	2.5
131.08549	1.3
133.02806	5.6
133.06468	6.4
133.10107	30.5
134.05974	1.5
134.10460	0.8
135.04375	2.4
135.08012	0.7
135.11665	14.5
136.05161	1.2
137.05945	2.8
137.08209	2.3
137.09598	4.7
137.13220	0.9
138.06595	1.1
138.09064	0.8
146.03612	1.1
147.03477	0.8
147.04414	9.6
151.03882	3.6
151.07545	3.6
151.11130	3.0
152.07024	1.5
159.11652	1.2
161.05939	5.9
161.09607	5.6
161.13232	51.0
162.05367	1.0
162.09032	1.1
162.13550	2.0
164.03992	1.0
179.03349	22.7
179.06863	8.5
179.08556	1.2
179.09209	1.1
179.10632	11.0
179.14281	55.9
180.06531	1.7
180.07944	1.0
180.10039	1.1
180.14665	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.10028	0.9
53.03932	7.0
55.01863	9.9
55.05503	28.1
57.03419	4.1
57.07056	2.2
59.04981	1.8
59.25464	0.9
61.70253	1.1
65.03920	3.5
67.05492	100.0
68.05833	1.3
69.03394	3.6
69.07053	16.4
69.52238	8.7
71.04977	2.8
73.06535	0.9
77.03869	1.3
79.05479	65.0
80.05811	1.3
81.03404	19.1
81.07043	88.3
83.04967	33.8
83.08606	14.0
84.15230	1.0
85.06505	2.4
91.05463	56.5
92.05785	1.8
93.07030	40.7
95.04957	16.5
95.08590	75.7
97.06516	30.0
97.10156	3.8
98.70035	0.9
98.98406	1.7
99.08072	2.8
103.05394	1.4
105.04541	1.1
105.07009	30.3
107.08573	14.7
108.04436	1.9
109.06505	7.6
109.10140	11.5
111.08046	8.6
113.09628	8.3
117.07030	2.9
119.04917	5.3
119.08559	31.7
121.10105	5.8
123.04420	7.0
123.08022	6.0
123.11704	1.7
131.08516	1.2
133.02843	6.0
133.06438	5.4
133.10106	21.6
135.04295	2.0
135.11676	8.1
137.05920	1.5
137.09558	3.4
147.04373	4.5
151.03868	3.0
151.07539	1.1
151.11142	1.4
152.07059	1.3
159.11748	1.4
161.05956	4.0
161.09599	1.4
161.13232	14.6
162.09161	1.4
164.03993	1.7
179.03363	22.8
179.06815	6.0
179.08371	1.7
179.10614	5.6
179.14285	46.9
180.03716	1.4
180.06563	2.2
180.14630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03945	0.6
55.01857	0.6
55.05486	0.4
56.05017	0.3
63.02360	0.7
65.03938	0.6
66.04015	0.3
67.05479	0.4
68.99773	0.4
69.03416	0.6
71.44492	0.6
71.44835	0.5
79.05475	4.5
81.03417	0.4
81.07027	0.3
83.04968	0.5
84.29828	0.3
86.94231	0.3
89.03903	19.7
90.04232	0.5
90.19575	0.3
91.05482	2.0
93.03358	0.3
93.07022	1.1
95.04953	3.0
95.05994	0.3
95.08614	0.3
97.06487	0.3
98.97565	1.9
105.04473	0.3
105.06969	0.4
107.04936	8.0
107.08581	1.2
109.07621	0.3
111.04418	1.5
116.98629	1.5
117.03360	21.1
118.03699	0.6
119.04909	0.7
121.10123	0.6
122.07131	0.6
123.04422	0.5
123.08047	0.3
125.05947	0.7
128.67348	0.3
134.99631	1.1
135.04391	44.5
135.11674	0.5
136.04771	1.0
136.07570	0.3
136.08664	0.3
139.03877	1.1
145.02824	25.2
146.03157	0.6
151.03862	0.4
153.05450	1.1
163.03874	100.0
164.04221	3.3
181.04955	2.0
181.06332	0.4
181.08507	0.6
181.10811	0.4
181.12236	0.7
186.05423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.39928	0.3
53.03939	0.8
63.02378	0.4
65.03938	0.8
70.21337	1.3
74.20611	0.3
79.05480	4.3
83.06087	0.4
89.03899	22.1
90.04241	0.3
91.05447	2.0
93.03395	0.7
93.07047	0.5
94.58527	0.3
95.04951	1.4
98.97564	1.2
107.04938	7.4
107.08572	0.4
109.07629	0.3
111.04430	1.5
116.98608	0.8
117.03358	23.9
118.03765	0.5
119.04948	0.9
119.21470	0.3
122.07122	0.4
124.08688	0.4
125.05988	0.4
134.99661	0.7
135.04390	44.5
135.11676	0.3
136.04736	0.5
136.07547	1.4
136.08562	0.6
139.03902	1.1
141.30225	0.3
145.02824	23.9
146.03185	0.7
163.03873	100.0
164.04181	2.4
164.07057	0.4
181.04958	1.3
181.10741	0.9
181.12163	0.5
189.51988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.21869	0.3
53.03934	0.5
63.02363	0.5
70.94292	0.4
70.94628	0.5
79.05479	3.1
80.96642	0.2
83.25916	0.2
85.69144	0.2
89.03899	19.6
91.05476	1.1
93.03389	0.3
94.89314	0.2
95.04959	1.0
105.04448	0.3
107.04937	6.3
111.04435	1.3
117.03358	20.3
118.03712	0.6
119.04929	0.3
119.50073	0.3
135.04388	38.4
136.04718	0.9
139.03871	0.9
145.02821	21.8
146.03134	0.5
163.03873	100.0
164.04192	2.9
176.44885	0.3
181.04932	0.9
186.05458	0.4
186.84631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.70424	0.8
53.03924	1.7
55.01846	2.2
55.05500	15.3
56.96542	2.6
57.03417	1.5
57.07058	6.1
59.04987	1.7
65.03915	0.9
67.05489	12.2
69.03400	2.2
69.07050	3.2
70.32866	0.9
70.39256	4.2
71.01324	1.0
71.04961	2.0
79.05481	9.2
81.07037	8.3
83.04967	7.6
85.06527	1.9
91.05466	10.9
93.07024	30.2
95.04941	7.7
95.08586	18.7
97.06520	17.9
98.97565	17.3
105.04501	1.3
105.07002	7.8
107.04937	2.5
107.08569	26.6
109.06516	5.2
109.10119	2.8
111.04421	28.2
111.08050	10.5
113.06002	1.6
116.98600	18.8
117.06999	3.0
119.08552	5.3
121.06487	5.1
121.08380	1.0
121.10118	4.1
122.07204	1.3
123.04408	1.8
123.08047	1.8
125.05965	71.6
125.09579	1.2
126.06297	1.0
127.07560	1.5
130.07768	1.9
134.99620	13.2
135.04320	1.2
135.08035	12.9
135.11668	27.0
138.06743	9.1
139.07513	3.7
140.00211	1.6
143.08534	0.9
145.10095	12.1
153.00710	2.0
153.09120	1.2
153.12708	5.1
158.01271	2.9
163.03845	1.6
163.11162	16.4
164.11517	1.0
165.06793	1.0
181.04906	1.9
181.12193	100.0
182.12581	3.0
190.22878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03924	2.4
53.27328	1.0
55.05505	36.2
56.96559	5.4
57.07069	12.7
67.05495	11.6
69.03414	3.1
69.07043	5.3
70.88526	3.1
71.63615	1.1
73.19219	0.9
77.03901	1.1
79.05487	11.2
81.07043	13.0
83.04967	17.6
83.08616	1.2
85.06522	5.2
91.05470	12.1
93.07028	25.5
93.82249	1.2
95.04939	7.1
95.08589	17.5
97.06526	12.9
98.96967	2.0
98.97567	30.8
102.90943	1.0
105.07020	9.8
107.04955	2.2
107.08578	34.3
109.06516	8.7
109.10117	2.9
111.04427	100.0
111.08041	6.3
113.06008	5.6
113.06657	1.1
116.98613	31.9
117.06995	3.2
119.08551	4.0
121.06471	6.3
121.10133	4.5
122.07256	2.5
123.08060	3.1
125.05972	48.2
126.06308	2.0
127.07529	3.6
130.07761	4.6
131.31458	1.1
134.98593	1.3
134.99637	24.0
135.08028	24.8
135.11664	24.2
138.06688	1.2
139.07561	2.5
140.00189	2.2
145.10109	19.1
152.56729	1.1
153.00652	2.3
153.12703	4.6
158.01234	4.1
163.03891	2.0
163.11148	17.2
164.07083	1.7
181.04936	2.6
181.06494	1.3
181.12207	35.7
182.12474	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.75153	0.6
53.03958	1.1
55.01869	0.7
55.05522	2.1
56.96579	1.2
57.03463	0.7
57.07068	24.5
57.07347	1.2
59.05017	2.2
59.34762	0.6
64.61929	0.6
65.03964	0.7
67.05531	1.1
69.03429	1.9
69.07052	3.6
79.05479	8.8
79.05849	0.8
81.03403	5.7
81.07036	5.3
83.04968	50.8
84.05317	0.8
85.06557	1.4
91.05461	3.9
93.07030	8.4
93.07569	0.7
93.93386	0.7
95.04955	17.8
95.08574	0.9
97.06516	26.6
98.97560	5.5
105.07003	4.6
107.04946	3.6
107.08573	11.8
111.04424	0.8
116.98619	7.6
117.07011	2.6
119.08561	5.0
121.06505	3.2
121.10128	14.1
123.08086	1.0
125.05973	63.2
126.06316	1.3
127.70625	0.7
129.07031	0.7
130.07767	2.7
134.99646	8.1
135.04401	1.0
135.08022	1.6
135.11652	5.8
145.10091	12.8
153.00630	1.2
153.05479	0.7
158.01219	1.6
163.03877	2.1
163.11160	100.0
164.11519	2.4
166.07751	2.0
181.04930	2.9
181.06404	0.9
181.10248	2.3
181.12199	29.7
182.12569	0.7
187.42868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.46991	0.8
53.03929	1.4
55.01858	1.2
55.05279	1.1
55.05501	11.1
56.96536	1.4
57.03434	1.2
57.07061	3.9
58.16596	0.7
59.04964	1.1
65.03945	1.1
67.05498	10.7
69.03414	2.4
69.07064	5.3
70.76643	0.7
71.04971	3.0
71.69344	1.4
79.05481	8.1
81.07045	8.8
83.04957	6.3
83.08608	1.8
85.06521	2.1
91.05471	11.1
93.07033	32.9
95.04967	6.9
95.08591	16.8
97.06520	18.6
98.97562	7.8
105.07019	5.9
107.04940	1.7
107.08576	24.0
107.09319	1.2
109.06487	4.8
109.10144	2.9
111.04430	22.4
111.08051	10.3
116.98615	5.7
117.06989	2.9
119.08536	3.4
120.09327	1.0
121.06473	3.7
121.10111	3.3
122.07204	1.6
123.08078	2.0
125.05972	75.1
125.09624	1.2
126.06290	1.1
127.07526	1.1
130.07758	1.7
134.86215	0.8
134.99641	2.8
135.08025	10.2
135.11668	25.6
137.05931	0.9
138.06738	10.7
139.07529	2.5
141.07007	1.2
145.10080	13.1
153.07010	2.0
153.12735	7.4
163.11156	20.1
165.07011	4.6
166.07751	8.2
167.08563	1.1
181.04965	1.8
181.06448	5.4
181.10133	10.3
181.12204	100.0
182.10777	1.1
182.12489	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	181.122
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03928	3.1
55.01842	2.7
55.05505	14.2
56.96545	4.6
57.03421	1.1
57.06847	0.8
57.07071	8.1
59.04980	2.4
65.03918	1.1
67.05186	0.9
67.05499	9.9
69.03401	3.8
69.07052	6.0
69.58961	0.9
70.07620	1.2
70.07904	5.0
71.04955	2.6
79.05476	12.6
81.07047	10.6
83.04507	1.6
83.04966	15.6
83.08591	1.2
85.02907	1.4
85.06513	1.8
89.06712	0.9
91.05465	11.7
93.07029	34.6
95.04387	1.3
95.04948	12.3
95.08588	17.6
95.62634	0.9
97.02836	1.1
97.06508	20.0
98.97572	24.1
103.05440	1.3
105.07017	7.5
107.04919	2.8
107.08575	29.8
109.06497	5.6
109.10119	2.9
110.10508	1.0
111.04424	22.4
111.08050	9.9
113.05984	1.5
116.98596	23.3
117.06998	3.2
119.08556	6.3
121.06475	7.2
121.10131	9.1
122.07236	2.0
123.04404	1.3
123.08054	2.6
125.05972	76.5
125.09583	1.9
126.06281	1.4
130.07782	2.1
134.99635	17.3
135.04375	3.5
135.08038	11.7
135.11668	26.6
136.07584	0.9
136.11990	0.9
138.06749	9.5
139.07516	3.0
140.00157	1.8
142.02516	0.9
145.10095	15.5
153.00652	2.4
153.05460	1.8
153.12727	5.4
158.01205	1.6
162.31671	1.0
163.03821	2.7
163.07431	1.2
163.11151	33.5
166.07686	1.2
181.04918	4.7
181.06377	2.1
181.08618	3.0
181.12201	100.0
182.12553	3.3
201.73790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.02307	1.1
53.03933	2.5
54.58680	1.1
55.01849	2.5
55.05503	37.3
56.96565	8.2
57.03421	1.2
57.06837	1.1
57.07069	12.4
65.03902	1.6
67.05499	14.6
69.03410	3.6
69.07040	5.2
69.95847	5.9
71.04942	2.1
71.95222	1.3
75.07373	1.0
79.05475	11.3
80.88615	1.1
81.06657	1.3
81.07050	12.4
83.04971	18.6
85.06532	6.2
91.05469	13.6
93.07034	34.2
95.04939	7.0
95.08006	1.6
95.08590	21.6
95.09186	1.4
97.06519	14.8
98.97568	34.6
105.06997	8.9
107.04914	2.4
107.08579	42.7
108.08904	1.3
109.06512	8.0
109.10159	2.5
109.48230	1.1
111.04427	100.0
111.08068	10.8
112.04738	2.4
113.06008	5.7
116.98598	32.1
117.06989	4.2
119.08540	4.5
120.09361	1.2
121.06475	5.8
121.10122	5.6
122.07253	1.5
123.08030	4.8
125.05972	63.1
126.06388	1.4
127.07529	4.8
130.07753	4.1
134.99634	18.7
135.00615	2.2
135.08029	24.8
135.11668	29.8
137.09612	1.8
138.06717	5.1
139.07538	3.9
140.00142	2.4
145.10100	23.8
153.00761	2.5
153.12741	5.7
158.01283	2.7
161.22952	1.1
163.11147	22.8
171.18021	1.1
181.04895	2.3
181.12202	59.0
182.12595	2.0
187.09348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.01856	4.1
55.05500	9.2
55.25233	0.8
56.05011	1.1
56.96548	2.4
57.03422	1.3
57.07042	2.4
59.06110	1.1
65.03911	2.8
67.05493	8.6
68.04987	1.0
68.99779	1.9
69.03418	13.8
69.07050	6.9
71.04960	2.9
71.69410	1.1
76.39682	0.7
77.03899	1.3
79.05482	29.4
81.03407	2.0
81.07047	22.6
83.04971	3.8
83.06067	1.1
84.05493	0.9
85.02898	1.6
85.06521	1.0
86.02026	0.7
89.03896	2.0
91.05468	27.0
93.03447	0.9
93.07030	100.0
94.06671	0.9
94.07354	2.3
95.04946	11.5
95.06071	0.9
95.08598	7.8
96.05582	0.9
97.02835	1.3
97.06511	9.3
97.07632	1.9
98.33212	0.8
98.97563	12.1
99.04435	2.5
101.27470	0.8
103.05421	2.0
105.04465	1.2
105.06332	1.4
105.07014	24.2
107.04958	5.7
107.08581	75.2
108.08881	1.0
109.06522	6.9
109.07661	1.3
109.10107	2.2
111.04408	3.3
111.08029	1.9
115.05427	2.4
116.98619	16.2
117.03379	2.3
117.07009	5.5
119.06046	1.0
119.08566	10.5
121.06498	11.4
121.10126	67.9
122.07185	2.2
122.10455	1.4
123.04366	2.4
123.08053	17.8
123.11674	2.8
125.05967	3.1
130.07799	4.2
133.07568	1.1
133.10088	3.7
134.99637	11.1
135.04398	10.1
135.08043	14.3
135.11678	36.1
136.07518	1.1
137.09586	3.3
138.06555	1.2
139.03859	2.1
139.11163	1.7
140.00192	0.9
140.08124	2.8
143.08531	1.2
145.02818	3.5
145.10097	14.2
151.03886	1.6
151.11179	5.8
152.06094	0.9
153.00673	2.4
153.05434	3.6
153.09106	1.0
154.09676	1.0
158.01303	1.9
159.96358	0.8
163.03876	15.8
163.07512	1.8
163.11156	16.1
164.07062	1.5
164.08304	2.3
165.01776	0.9
181.03735	1.0
181.05006	10.1
181.06450	1.7
181.08524	3.4
181.10838	1.4
181.12173	10.5
181.15813	1.1
182.08084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03931	5.0
55.01853	2.9
55.05499	9.1
56.05022	0.7
56.96541	2.3
57.07056	1.4
59.04966	0.6
65.03908	2.3
67.05490	6.6
69.03418	10.8
69.07061	4.8
70.66488	1.8
71.04974	3.2
77.03907	1.4
79.05475	26.9
80.05788	0.7
81.03394	2.0
81.07041	19.4
82.07391	0.7
83.04965	3.0
83.06098	1.0
83.08620	1.0
85.06512	1.1
87.52168	0.6
91.05461	27.1
91.06036	1.3
92.05823	0.8
93.07024	100.0
94.07355	2.0
95.04940	8.5
95.06050	0.7
95.08581	8.0
97.06494	3.8
98.97561	8.2
99.04440	1.6
103.05455	1.8
105.04492	1.4
105.07008	23.6
106.07851	0.8
107.04939	3.4
107.08571	78.0
108.05668	0.9
108.08905	1.8
109.06492	8.7
109.10165	2.0
111.04422	1.5
111.08031	1.8
112.08768	0.6
115.05450	2.2
116.98596	7.5
117.03387	0.7
117.06979	4.6
118.21935	0.7
119.06087	1.1
119.08551	11.3
121.06502	9.5
121.10118	65.0
122.07193	2.0
122.10477	1.8
123.05540	0.7
123.08043	14.9
123.11665	1.8
125.05965	2.1
128.06175	0.9
130.07802	3.0
131.08516	0.9
133.06363	0.7
133.07547	1.1
133.10091	3.2
134.99632	6.9
135.04425	3.1
135.08029	11.8
135.11665	36.5
136.07515	1.4
136.08484	0.7
136.12064	1.0
137.06047	1.1
137.09593	1.9
139.07625	0.7
139.11157	0.9
140.08209	0.7
143.08533	0.7
145.02863	1.1
145.10094	11.0
147.09067	0.7
148.08812	0.9
151.11148	5.9
153.00735	1.1
153.05460	0.7
157.03577	0.6
163.03867	5.0
163.07552	0.8
163.11148	11.9
163.14818	1.3
164.07011	0.8
173.26695	0.7
181.04939	2.6
181.06444	1.0
181.08557	1.5
181.10747	1.2
181.12184	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03924	0.9
55.01859	0.9
55.05497	4.5
56.96535	2.3
57.03418	1.0
57.05354	0.6
57.07056	3.0
59.04992	3.6
62.00418	0.5
65.03967	0.6
67.05494	3.6
69.03412	1.8
69.07056	3.8
69.33302	0.5
69.75592	4.0
70.38565	0.5
71.04969	0.8
71.95252	0.6
79.05478	7.8
81.07036	7.7
83.04948	1.9
83.08601	1.3
91.05454	4.4
93.07036	18.1
95.04935	1.7
95.08588	18.2
97.06524	4.2
98.21091	2.1
98.97567	13.2
103.46627	0.5
105.07015	3.7
107.04939	1.2
107.08578	32.2
108.08920	0.8
109.06487	1.3
109.10135	2.4
109.18797	0.5
110.05002	0.5
111.04434	5.9
111.08055	2.0
112.42140	0.5
113.05984	0.6
116.98611	11.5
117.06996	1.8
119.08568	5.0
121.06483	6.2
121.10128	17.1
123.08049	3.2
125.05972	13.1
130.07741	1.6
134.99637	7.7
135.08031	1.9
135.11670	44.4
136.12009	0.9
137.13228	1.3
138.06721	1.1
139.07518	7.4
140.00140	0.9
141.56668	0.5
145.10104	13.3
153.00790	0.6
153.12660	3.2
158.01219	1.2
163.11157	29.3
164.11490	0.7
181.12202	100.0
182.12553	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01881	1.5
55.05516	2.8
56.96575	0.9
57.03450	1.2
57.07069	23.1
57.07344	1.1
59.05002	2.9
59.15809	0.6
63.83263	0.6
67.05507	2.4
69.03429	1.6
69.07070	5.3
71.04978	0.9
71.43610	0.8
71.43966	1.4
75.98388	0.6
79.05482	9.0
79.05869	0.9
81.03403	5.7
81.07051	5.0
83.04967	53.6
91.05457	5.2
93.07026	8.9
95.04958	18.2
95.08620	1.1
97.06514	29.0
98.97543	3.2
103.73927	0.6
105.07018	5.7
107.04951	2.3
107.08580	11.7
109.06524	1.3
109.10152	0.7
111.04441	0.8
116.98621	4.8
117.07018	2.7
119.08571	3.3
121.06509	3.7
121.10123	15.8
125.05972	63.9
126.06336	1.6
126.42688	0.7
130.07776	2.9
133.10153	0.6
134.99620	6.2
135.04405	1.8
135.08070	1.2
135.11667	6.7
143.08543	0.7
145.10094	12.3
148.08885	0.9
153.00728	1.4
153.05470	1.0
158.01157	1.1
163.03922	2.0
163.11160	100.0
164.11443	3.0
165.06929	1.2
166.07745	1.5
174.45284	0.7
176.98306	0.7
181.04938	1.6
181.06427	1.0
181.10164	1.3
181.12204	27.9
182.05763	4.5
182.12717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03934	3.6
55.01855	3.3
55.05502	34.5
55.49760	1.5
56.96550	7.5
57.03412	2.7
57.07069	11.5
57.50282	1.3
65.03922	2.9
67.05493	17.7
69.03406	6.2
69.07066	10.2
70.21195	1.3
71.04966	3.0
71.70170	1.7
79.05491	19.8
81.03401	2.1
81.07043	19.7
82.56675	1.3
83.04964	21.7
83.08580	2.0
85.02904	2.8
85.06521	5.1
91.05466	19.1
93.03376	1.8
93.07033	47.7
95.04955	18.6
95.08590	30.3
97.06512	21.1
98.97565	34.5
101.02966	1.4
103.05452	1.6
105.07007	15.9
107.04933	4.3
107.08578	54.8
108.08920	2.4
109.06493	7.7
109.10130	5.7
111.04424	73.7
111.08041	13.2
113.05964	3.8
116.98600	42.5
117.06983	5.9
119.08544	5.2
121.05856	1.2
121.06506	13.6
121.10111	18.0
122.07214	2.4
123.04386	2.7
123.08021	4.3
125.02312	1.3
125.05972	81.4
125.09586	1.7
127.07500	3.2
130.07738	4.1
134.99638	36.1
135.04376	5.2
135.08029	24.5
135.11670	39.4
136.07492	1.7
136.08414	1.8
137.05949	1.4
137.09644	2.4
137.13277	2.1
138.06757	8.2
139.03874	1.8
139.07550	6.7
140.00189	2.6
140.08177	1.8
145.10107	25.9
149.05905	3.2
153.00667	6.1
153.05415	2.1
153.06952	1.4
153.12749	8.3
158.01244	4.7
163.03865	7.7
163.11150	34.0
166.07768	2.0
181.04915	8.1
181.06355	2.2
181.08582	4.4
181.12209	100.0
182.04379	1.9
182.08044	2.9
182.12642	2.6
201.30553	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
52.33727	1.8
53.03919	5.6
55.01835	5.5
55.05498	30.8
56.96559	11.8
57.03209	1.5
57.03424	16.1
57.07066	23.7
59.04977	2.9
65.03931	2.9
65.55676	1.7
66.65917	1.7
67.05487	22.7
69.03400	6.4
69.07056	12.2
70.76047	4.6
71.01340	2.1
71.04964	3.8
79.05025	1.8
79.05477	30.9
81.03387	6.9
81.07040	24.7
82.07360	1.8
83.04512	2.9
83.04964	43.5
83.08592	3.4
85.02892	3.2
85.06514	5.7
89.03896	2.1
91.05464	23.3
93.07027	54.4
95.04951	28.7
95.08588	29.4
97.02860	1.5
97.06519	32.1
98.97567	50.7
101.80371	1.4
105.07008	15.8
106.07835	2.0
107.04945	7.9
107.08574	52.1
108.08923	2.2
109.06483	10.5
109.10137	5.4
111.04423	67.7
111.08060	14.5
112.04720	1.9
113.05972	3.8
115.05460	2.3
116.98601	65.9
117.06992	6.3
119.08567	11.3
121.06477	13.3
121.09270	3.5
121.10123	44.2
122.07206	3.8
123.04354	1.9
123.08038	5.8
125.05967	100.0
125.09597	2.8
130.07755	6.5
134.99629	52.1
135.04375	7.4
135.08051	24.8
135.11662	37.2
136.07524	2.3
138.06706	7.2
139.03842	2.2
139.07509	4.6
140.00139	3.5
140.08134	3.0
145.02823	2.9
145.10077	29.2
149.05957	3.9
153.00679	11.5
153.05408	3.8
153.09007	2.5
153.12732	8.0
158.01210	8.3
163.03908	12.4
163.07504	2.6
163.11154	84.2
164.06995	2.9
164.11560	2.1
166.07645	1.6
166.98468	1.7
178.64290	1.6
181.04904	13.9
181.06348	2.8
181.08545	7.3
181.10417	4.0
181.12189	92.6
182.08057	1.7
187.07979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03922	0.6
55.01870	1.9
55.05504	1.5
56.96555	28.0
57.03428	4.9
58.99862	0.6
59.04978	0.5
61.02917	3.2
63.74177	0.3
65.03939	0.6
67.05485	0.6
67.24780	0.4
69.03410	3.7
70.14262	1.7
70.14667	0.7
70.98115	2.5
70.99835	0.7
71.01348	0.8
71.04977	2.3
71.95246	1.1
73.02898	4.4
74.97604	0.5
77.00893	1.1
78.95290	0.5
79.05507	0.5
81.03410	1.9
81.07035	0.4
82.01447	0.7
83.00782	0.5
83.04967	1.1
83.36422	0.3
84.04498	0.5
84.96019	3.7
85.02889	6.0
86.99307	0.3
87.04465	0.6
88.02695	0.4
88.99138	1.1
89.00786	0.9
89.03497	0.3
91.02429	0.5
91.05462	22.2
92.05781	0.6
93.07027	0.5
94.02635	0.4
94.06552	0.5
95.01933	0.4
95.04950	8.7
96.01498	0.6
97.02306	0.9
97.02866	6.9
97.96786	0.7
98.01276	1.4
98.03162	0.8
98.03979	0.7
98.20798	0.5
98.97564	15.0
99.04434	1.4
99.97920	1.3
100.02441	2.5
100.99113	0.4
101.00820	2.2
101.06029	0.4
102.97054	0.5
103.02362	0.5
103.05439	1.0
106.02838	2.1
107.00211	0.6
107.01810	1.3
107.04935	0.9
108.04214	0.6
108.08093	3.7
109.02859	0.8
109.06472	0.6
109.48927	0.3
110.01279	1.2
110.03103	0.4
110.03940	0.5
110.97512	2.1
111.02836	0.4
112.99123	2.3
113.00800	0.5
114.04153	0.3
115.00661	0.5
115.02396	1.1
115.03284	0.9
115.03981	0.5
116.00182	0.5
116.03030	0.3
116.03880	0.6
116.97763	0.5
116.98600	10.7
117.01951	0.6
117.04739	0.5
117.98942	1.5
118.00995	0.8
118.03547	1.9
118.06522	1.1
119.01859	5.7
119.03571	0.9
119.04925	24.2
119.97858	0.8
120.05238	0.6
121.06482	1.1
122.06007	1.0
123.04408	30.7
124.02461	0.4
124.03856	0.3
124.04696	0.7
124.99065	0.8
125.01781	0.4
125.03621	0.5
125.53767	0.3
126.02586	0.3
126.54117	0.4
127.03899	1.0
128.02301	1.4
128.98578	3.1
129.02211	0.9
129.03949	1.1
131.00157	4.5
131.01823	2.8
131.03593	0.6
132.03444	1.0
133.01662	1.0
133.03452	5.1
134.99626	5.6
135.03154	0.9
135.99969	0.8
136.07550	100.0
137.02837	1.0
137.04480	0.5
137.05974	0.7
137.07886	3.2
138.05443	0.7
140.00189	0.7
140.98570	1.4
141.03984	0.5
142.02008	0.4
142.03482	1.1
143.00160	2.2
143.01909	1.0
144.99834	3.1
145.01636	0.8
145.03467	0.9
145.04872	0.5
146.01218	0.4
146.02269	0.6
146.99641	2.5
147.01321	0.5
147.03192	2.1
147.04295	10.6
148.04842	0.6
149.01184	2.4
149.02899	0.7
149.75465	0.3
150.01770	0.6
150.05542	0.7
151.04468	0.7
153.00720	0.5
154.03458	0.8
154.08574	0.6
155.00070	0.8
157.03409	0.6
158.01271	0.4
158.99619	6.4
159.01413	0.5
159.03267	1.5
159.04994	3.3
160.04568	1.5
161.01219	2.8
161.02875	1.3
161.04430	0.8
161.05676	3.1
161.55647	0.6
163.00929	0.6
163.02762	0.5
163.96793	0.4
164.05637	3.9
164.07060	3.7
165.00735	0.9
165.05449	17.9
168.01395	1.4
170.05132	2.8
170.06210	1.5
170.56279	0.7
170.99655	0.9
171.04974	0.4
173.01204	1.5
173.02823	0.7
175.02789	0.5
176.97197	0.4
177.00679	10.5
177.02412	4.1
177.04312	1.9
177.06032	2.2
179.02315	0.5
181.97852	0.7
182.01115	0.5
182.06671	3.0
182.08096	21.3
182.99641	1.2
183.06415	0.4
183.08472	0.7
185.03029	0.9
187.00243	1.1
189.00630	1.2
191.02193	0.5
193.00171	0.6
195.01709	1.5
195.03453	0.8
195.05344	0.9
195.07121	1.7
200.02271	0.6
201.00658	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	182.0809
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
53.03932	1.8
53.80120	0.4
55.01866	0.8
55.05493	1.3
56.05016	0.8
56.96558	5.7
57.03415	1.1
57.37103	0.4
59.06107	0.5
60.10346	0.4
61.02914	0.5
61.64175	0.4
65.03927	1.1
67.05473	1.6
68.05003	1.6
68.99772	0.4
69.03410	1.2
69.07047	0.9
69.99117	2.4
70.06575	1.2
71.04980	0.7
72.04491	0.5
72.08111	0.5
73.02898	0.7
74.02401	0.8
78.95291	1.0
79.05466	1.2
80.04994	1.5
80.05786	0.9
81.03393	1.4
81.07040	2.1
82.06534	0.5
83.04971	0.7
83.06085	2.0
84.04501	0.4
84.96021	0.9
85.02893	1.1
85.07635	0.8
86.06022	0.7
89.03893	0.7
90.04247	2.1
91.05464	36.0
92.05750	0.6
93.05762	0.7
93.07027	1.0
94.06535	2.0
95.04955	8.2
95.06071	1.5
96.04466	1.5
96.08118	0.8
97.02866	1.4
97.06474	0.5
97.07629	0.7
98.06014	0.7
98.97571	3.3
98.98457	1.9
99.97908	0.8
103.05426	1.1
105.03386	4.3
107.04918	1.2
108.04462	0.7
108.05276	1.2
108.08134	2.6
108.08785	0.8
109.02878	0.7
109.06532	3.2
109.07621	1.0
109.10113	0.5
110.06033	0.9
111.04426	0.9
111.05529	0.5
112.07579	0.6
113.05917	0.8
116.98596	2.9
117.98930	0.7
118.03667	2.6
118.06503	3.5
119.01873	2.2
119.04922	33.6
119.08548	0.4
119.97877	0.7
120.05251	1.1
121.06503	0.9
122.06007	3.7
122.06916	0.6
123.04411	16.6
123.05376	0.8
123.06805	1.1
123.08020	0.7
123.09163	0.5
124.03896	0.7
124.07584	1.2
124.08685	0.6
125.07062	0.7
125.48657	0.4
126.05487	0.8
127.03918	0.5
128.02292	0.4
131.01904	0.8
134.99657	2.7
135.04399	0.9
136.00017	1.2
136.04759	6.0
136.07553	100.0
137.03040	0.8
137.05936	1.7
137.06931	0.6
137.07912	3.2
138.05452	0.9
138.09065	0.6
139.03906	0.5
139.07480	0.5
140.04416	0.5
140.07036	1.2
140.08133	0.9
141.01842	0.7
142.03493	0.9
143.00188	0.5
146.03154	3.9
146.05969	0.8
147.04382	5.7
150.05478	1.8
152.07051	0.9
153.00647	0.5
154.05006	0.6
154.07510	0.5
154.08615	2.1
154.09727	0.6
155.07016	0.5
155.08415	0.5
158.96275	0.7
158.99640	1.2
160.04572	1.2
161.01225	0.5
164.04231	13.9
164.07010	5.8
164.08136	0.5
165.01811	0.8
165.05482	5.8
166.98579	0.5
168.09335	0.5
177.00705	2.7
178.05569	1.0
179.00276	0.5
181.97878	0.9
182.00937	1.9
182.02931	0.4
182.04491	1.6
182.08054	11.6
182.11563	0.8
183.02867	1.3
183.06468	0.9
183.08144	0.6
183.11543	0.5
196.87672	0.5
197.01173	1.4
201.00645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.57038	0.5
55.01849	1.2
55.05266	0.8
55.05500	8.6
55.26791	0.6
56.33335	0.6
56.96527	0.6
57.03419	2.0
57.07057	3.8
58.02953	35.1
59.04973	0.6
65.03913	0.8
67.05139	1.2
67.05495	22.8
69.07058	69.2
69.77752	0.5
70.06571	2.5
70.07358	1.0
70.46851	1.6
71.04967	0.7
71.08591	1.1
72.08140	1.0
74.06075	1.1
79.05484	5.8
81.07047	22.8
82.06590	0.7
82.07340	0.6
83.04962	1.9
83.08605	7.7
84.04480	0.9
84.07669	0.5
84.08139	10.3
86.06061	1.5
91.05470	6.2
93.07030	12.1
95.04924	2.7
95.08604	7.4
97.06538	4.3
98.06048	2.8
98.09698	3.7
98.20787	0.7
98.97541	1.8
98.98441	0.9
100.07609	6.6
105.03368	1.6
105.07016	15.3
105.07719	1.0
107.08578	18.1
108.08038	0.7
109.06480	3.1
109.10140	53.5
110.10486	1.2
112.07597	2.6
114.03701	0.5
114.09151	14.9
116.98656	1.2
117.98910	0.9
119.08557	2.3
121.10098	1.4
122.09646	0.6
123.11671	7.4
124.07541	0.6
126.09129	15.5
126.12777	1.3
130.64146	0.6
133.10112	28.0
134.99658	0.8
135.11678	20.2
135.99948	0.6
136.12047	1.0
137.13219	0.9
138.12755	22.5
140.10684	0.8
140.14317	1.0
147.11699	4.3
151.11153	10.6
153.12715	14.4
154.15872	1.9
164.06993	0.7
164.14340	3.3
165.12749	3.6
182.15384	100.0
183.15732	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	183.1012
Annotation	[(1R)-2,2,3-Trimethyl-5-oxocyclopent-3-enyl]acetate
Peak:m/z	Relative Intensity
51.14948	1.0
53.03925	2.5
55.01863	19.5
55.05505	6.4
55.23874	0.9
57.03420	2.8
57.07046	1.8
59.06134	1.0
59.90645	0.9
64.53615	0.8
65.03920	2.2
67.05494	54.8
69.03417	6.0
69.07060	5.1
71.04978	8.6
71.70155	1.2
79.05479	16.1
81.03394	1.1
81.07046	48.0
83.04957	1.4
85.06538	5.3
91.05457	3.4
93.07023	5.8
95.04952	11.6
95.08597	18.8
97.06516	9.6
98.98424	4.2
99.04435	6.6
99.08071	3.7
105.03376	6.4
105.06994	2.7
107.08580	3.6
109.06507	6.9
109.10139	100.0
110.10444	2.6
113.06013	6.9
119.08548	3.9
121.10135	4.6
123.04435	4.5
123.08031	5.2
123.11646	1.3
125.05973	44.2
137.05939	2.4
137.09598	29.3
140.04738	0.9
143.07019	6.0
147.08000	1.1
153.07111	1.3
153.09096	2.5
155.08484	1.1
155.10628	5.2
165.09100	19.3
165.12773	1.2
168.09315	1.8
183.06595	2.0
183.08406	1.3
183.10178	16.5
183.11684	2.1
183.13774	1.5
184.10486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04994	0.3
56.96571	0.3
65.57318	0.3
69.43530	2.2
69.43943	0.5
82.99831	1.2
98.18977	0.3
98.20755	0.6
98.97567	0.5
100.02484	0.3
101.00861	19.5
101.94996	0.6
102.00954	0.9
102.96879	0.6
116.98594	0.3
119.01900	100.0
119.96027	0.3
120.01986	4.4
120.97863	0.5
124.02450	1.2
133.03458	0.4
134.99690	0.4
137.02934	31.9
138.03050	1.6
142.03476	18.9
143.01929	0.3
143.03613	1.8
149.95686	0.2
158.06523	0.3
160.04529	5.8
161.02943	6.6
161.04585	1.3
162.03012	0.3
162.04330	0.3
165.05106	0.7
178.05519	0.2
179.03984	8.1
179.05452	0.5
184.04573	0.7
202.05449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0603
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
51.06153	0.3
53.03954	0.7
55.01854	0.9
55.05509	0.8
56.05040	1.0
56.96556	28.0
57.03427	1.5
58.06575	0.6
59.06133	0.5
60.04525	0.7
60.95853	0.9
61.02925	0.9
65.03918	2.4
65.92646	0.6
67.05492	2.0
68.05030	1.1
69.03414	2.1
69.07050	0.5
70.06577	2.7
70.98103	0.6
71.01376	0.4
71.04993	1.0
71.67719	0.6
71.95261	1.7
72.08158	1.0
72.93789	0.4
73.02911	2.4
74.97601	1.8
79.05494	1.0
80.04995	0.6
80.94950	1.3
81.03414	1.1
81.07049	0.7
82.06580	1.4
83.00800	0.7
83.04977	1.3
83.06091	1.1
84.01579	0.4
84.04511	0.9
84.08134	1.3
84.96032	1.2
85.02889	2.8
85.06557	0.5
86.06039	0.8
86.09697	2.4
88.41271	0.3
88.99155	0.7
89.00785	0.5
90.01566	1.0
90.21861	0.3
90.94802	0.3
91.00523	0.5
91.05434	0.5
92.01290	0.9
92.04986	2.3
92.98624	0.4
94.06566	0.9
95.04960	1.8
95.06077	0.7
96.04473	0.6
96.05310	0.6
97.02317	1.3
97.02888	2.4
97.07661	0.9
97.99165	0.8
98.01317	0.6
98.06037	0.7
98.97570	6.6
98.98486	0.6
99.04436	0.5
99.05552	0.5
100.02478	0.4
100.07581	0.3
101.00861	4.7
101.95016	7.8
102.96880	1.3
103.00524	0.5
104.01296	0.4
104.05006	0.6
105.03398	0.8
106.02840	3.1
106.03677	0.9
107.01852	0.4
107.04956	1.2
109.00504	0.6
109.02883	0.7
109.07613	0.8
110.01287	1.0
110.06035	2.3
110.07179	0.4
110.11344	0.3
110.97552	0.9
111.04423	0.6
111.09191	0.4
112.01026	1.0
112.07598	0.5
112.99141	0.6
113.05994	0.5
113.07087	0.4
114.05551	0.5
115.02393	0.4
115.03363	1.0
116.00203	1.1
116.01241	0.5
116.98606	8.1
117.53731	0.4
118.00995	0.8
119.01897	50.8
119.51987	0.5
119.96068	4.9
120.02003	2.5
120.04446	2.1
120.08156	0.3
120.97896	1.6
121.01574	0.7
121.06471	0.4
121.97554	1.3
122.02357	0.5
122.06000	0.4
123.04424	2.2
123.05405	0.4
123.09079	0.4
124.00901	0.4
124.03938	0.8
124.04759	0.5
124.07599	0.4
124.08690	0.5
124.93892	0.6
124.99137	0.7
124.99992	1.7
125.07108	0.9
127.03895	0.8
128.02301	2.5
128.52440	0.3
128.98605	1.8
129.04121	0.3
130.52594	0.8
131.00163	1.9
131.01843	0.6
133.01552	0.9
133.99036	0.3
134.01257	0.6
134.99637	8.3
135.00589	0.6
135.04430	0.4
136.07561	0.7
137.02934	26.1
137.08331	0.6
137.97089	6.6
137.99283	0.7
138.03107	1.0
138.05475	7.1
138.06427	0.4
138.09090	0.7
138.12785	0.4
138.98924	2.6
139.01540	0.8
139.03880	1.0
139.08630	0.4
139.53110	0.4
140.00229	0.5
142.01799	0.8
142.03485	11.3
142.94872	0.6
142.96495	1.4
142.97548	0.6
143.00160	2.4
143.01915	0.5
143.03671	0.5
144.97978	0.5
145.01535	0.6
146.99632	2.7
148.03909	74.2
149.01161	2.6
149.04266	1.2
149.07187	0.5
150.99036	0.3
153.00706	1.5
154.02017	0.5
155.04634	0.4
155.98132	3.8
157.00006	0.6
158.01190	0.6
158.99615	0.8
160.02802	1.6
160.04527	5.1
160.96010	1.0
160.97554	2.9
160.98743	1.4
161.01202	6.2
161.02914	4.0
161.04422	1.1
162.02945	0.6
162.04250	0.5
162.99147	1.0
163.02701	0.5
163.03934	0.7
165.00719	0.8
165.05113	0.6
165.96535	0.6
166.04973	100.0
166.08589	2.1
167.02226	0.4
167.05376	2.1
170.99556	0.5
173.01163	0.4
173.03065	0.4
174.99097	0.5
175.02785	0.8
177.00711	1.5
178.03825	0.4
178.98517	1.8
178.99960	0.5
179.02237	2.0
179.03979	5.5
179.05492	0.7
181.00105	0.6
183.97565	1.0
184.02641	1.1
184.04497	1.1
184.05994	11.7
184.07401	1.6
184.09526	4.3
184.10992	0.5
184.13280	0.5
185.01224	0.7
185.06993	0.4
189.00639	0.7
193.03728	0.5
196.99509	0.5
197.01212	0.8
197.02971	0.4
201.00648	0.7
202.03838	1.3
202.05540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05029	1.3
58.06603	0.9
59.07383	0.4
60.08155	19.0
60.51293	0.3
71.07360	11.2
73.72009	0.3
80.72530	0.3
86.09692	100.0
87.10009	1.5
98.21483	1.1
98.98452	17.9
101.95016	1.4
104.10735	4.8
109.44068	0.3
119.96040	0.8
124.99982	82.3
126.00401	0.4
137.97046	0.5
143.01031	1.3
163.09128	0.2
165.34312	0.3
166.02663	0.6
184.07314	90.9
185.07631	1.1
198.86797	0.3
201.26053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.45739	0.4
56.05023	1.4
58.06607	1.0
60.08154	18.2
70.22143	1.0
70.22538	0.8
71.07365	10.9
86.09692	100.0
87.10028	1.9
98.20865	0.9
98.98452	19.5
101.95016	2.3
104.10722	4.1
119.96073	0.7
124.99985	81.1
137.97038	0.7
143.01031	1.2
145.75824	0.5
157.43079	0.4
184.07318	84.3
185.07684	1.0
200.08784	0.4
201.85814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.04830	0.3
56.05014	1.8
58.06588	0.6
60.08152	18.4
61.38977	0.3
70.06573	0.5
71.07359	12.3
86.09689	100.0
86.57013	0.4
87.10033	1.5
98.20935	3.1
98.98449	19.8
101.95014	0.7
103.11759	0.3
104.10727	4.9
105.91183	0.3
116.99467	0.6
119.96090	0.5
124.99979	79.2
129.10611	0.3
137.97093	0.5
143.01010	1.1
147.35068	0.4
148.77777	0.4
164.15691	0.3
184.07307	90.8
185.07655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
55.02029	1.0
61.37971	0.4
65.03830	0.5
67.43457	0.4
69.03304	1.7
79.05423	0.9
81.06967	0.6
91.05459	3.4
91.46336	0.5
93.06943	0.6
103.05392	0.5
105.06998	1.0
115.05439	4.3
115.87463	0.6
117.06949	1.0
127.05315	0.6
128.06210	16.2
129.06990	24.2
130.07292	0.9
130.45477	0.5
139.05396	0.9
141.05911	0.7
141.06969	13.3
142.07761	56.5
142.25269	0.5
143.08545	18.6
144.05643	1.4
144.08788	0.6
145.06474	2.9
152.06198	14.2
152.07423	0.4
153.06801	0.7
155.04846	0.7
155.05962	1.1
155.08498	2.6
156.09277	1.8
157.06483	10.3
157.10109	39.2
158.10414	1.0
159.08067	0.6
165.06976	7.6
166.07748	3.4
167.08543	76.5
168.08913	2.2
169.06421	5.1
169.07484	0.6
170.07245	24.7
170.10901	1.1
171.07726	1.3
183.08081	0.6
185.05998	25.0
185.09592	100.0
186.06339	1.1
186.09969	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	186.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
56.05008	1.8
56.96558	1.2
58.49589	0.9
60.04509	1.1
62.25316	1.0
63.02354	3.2
67.05477	1.8
68.05008	1.1
69.03392	1.9
69.07039	1.2
69.63896	8.9
70.06581	59.3
71.01371	1.2
71.08596	1.1
72.08155	2.6
72.90743	0.9
76.92908	1.0
79.05446	1.1
80.04965	1.5
81.03393	2.7
81.07071	2.5
84.04487	3.8
84.08119	2.2
85.02898	9.5
86.06036	1.1
86.09690	1.1
89.03904	86.1
90.04214	1.8
90.83429	1.1
91.05457	1.1
95.04932	1.3
96.08168	1.1
98.06046	2.8
98.21426	2.3
103.05439	10.5
109.02829	2.0
110.06863	1.0
112.07550	1.2
114.05506	16.0
115.05425	4.4
117.03359	99.4
118.03670	2.1
123.04361	1.6
123.11690	2.1
126.05487	9.2
127.03907	1.2
130.06512	11.7
131.04906	11.8
135.04402	24.7
138.05414	1.6
139.01836	1.6
140.05023	1.1
140.07031	1.6
140.14346	1.5
141.06955	1.4
143.04881	3.0
144.05562	1.0
144.06589	1.8
145.02823	100.0
145.10030	1.2
146.03204	3.1
151.03891	1.5
158.05988	50.3
159.04396	4.2
159.06360	1.7
159.08067	1.8
159.11655	2.7
163.01804	1.7
163.03883	23.4
163.05168	2.1
163.62843	1.0
164.04257	1.4
168.06563	1.5
168.13844	1.4
181.02837	2.1
186.05486	57.5
186.07507	6.3
186.09033	2.1
186.14909	1.7
186.18542	2.1
187.03880	17.6
187.05679	2.6
187.07469	2.1
187.11145	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
68.05022	0.3
70.06577	100.0
71.01347	0.2
71.06905	1.2
71.19854	0.3
71.20161	0.2
73.63668	0.1
79.05493	0.2
81.03392	0.3
81.07049	0.6
84.04501	0.4
85.02893	1.1
88.02190	0.2
89.03899	0.5
91.05470	0.2
97.02835	0.2
98.06030	0.3
103.05445	0.2
114.05508	1.6
115.05453	0.7
117.03357	0.9
121.00752	0.3
123.11674	0.4
126.05508	0.8
131.04903	0.9
131.08556	0.4
139.01813	0.4
140.07027	0.3
141.06981	0.2
143.04871	0.3
145.02791	0.9
146.43909	0.2
158.05956	0.3
159.08044	0.2
163.01802	0.5
168.13817	2.7
173.00809	0.2
181.02899	0.7
186.05542	0.4
186.07637	0.8
186.14857	1.2
187.03841	2.2
187.11156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.8
55.01857	5.8
55.05491	10.7
56.05016	2.8
56.96557	100.0
57.03416	9.8
58.06584	5.6
60.95825	7.0
61.02911	6.5
67.05488	4.6
69.03415	16.7
70.06570	11.2
70.98091	3.7
71.01331	5.1
71.04961	8.9
71.46706	2.4
71.69159	4.2
72.93779	5.1
73.02898	7.8
74.02389	2.7
74.97579	4.5
81.03414	15.8
82.06573	22.8
83.04953	9.3
83.08569	3.0
84.04501	18.1
84.08141	20.9
84.96011	7.0
85.02899	19.2
86.03238	2.9
87.04454	3.2
88.02184	9.5
88.99118	6.8
89.94047	4.3
90.94801	6.7
91.05467	2.6
97.02861	9.4
98.97566	34.6
99.04425	8.0
99.09180	2.5
99.20883	2.3
100.07605	5.0
101.00853	9.4
105.06979	3.7
106.02836	3.0
107.04441	2.6
108.02518	3.4
109.02860	5.0
111.53609	5.7
112.99081	5.3
113.02358	4.0
113.96442	2.8
114.02554	2.6
115.00566	3.1
115.02416	4.8
115.03271	2.9
115.05426	23.5
116.07066	11.7
116.98600	32.8
117.02028	3.0
119.01893	38.4
121.01605	7.2
123.09156	3.5
124.07529	4.1
125.96123	4.1
127.03883	5.3
127.12302	6.2
127.24864	2.3
128.07082	14.0
128.12735	2.3
128.98605	4.8
129.03908	3.2
129.07001	3.1
130.07729	2.4
130.08604	2.8
131.00195	14.4
131.01852	6.7
131.04918	40.6
131.08534	5.9
131.97473	2.9
132.95782	4.4
133.01645	5.9
133.03452	7.9
134.99611	20.9
137.02916	11.2
138.98962	2.5
140.00075	2.8
141.06950	2.7
141.10190	19.3
142.08644	12.3
142.12282	4.9
143.00121	3.1
143.04893	18.4
144.95825	4.4
144.99771	2.9
145.01656	4.4
145.03465	3.5
145.10085	4.6
146.99600	9.4
147.03090	3.3
149.01186	10.9
149.02791	2.9
149.97192	2.7
150.96875	5.0
153.00667	3.4
154.07764	2.9
159.03197	3.1
159.08020	6.6
161.01192	6.5
162.96902	4.3
162.99126	8.9
163.02730	9.4
165.00638	7.0
169.00056	3.4
169.06718	4.1
169.09894	3.7
170.08069	6.3
170.11763	12.3
170.87456	2.6
172.99387	2.8
173.00740	12.7
173.02921	2.6
175.02751	5.5
175.04503	2.9
176.04335	3.5
177.00685	4.9
184.59155	3.3
185.02901	3.3
186.04413	3.4
186.99190	4.3
187.03886	85.3
187.05737	5.1
187.07707	12.1
187.10970	19.8
187.14429	11.6
188.04193	5.4
188.09174	3.7
198.18491	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	187.1326
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.47475	1.0
53.03923	2.1
53.23021	0.9
55.05503	7.1
56.96542	1.2
57.03446	1.1
57.07060	1.9
58.06590	1.0
59.04981	1.9
59.06095	1.3
61.02918	1.2
65.03915	1.2
67.05487	7.5
69.03403	4.9
69.07060	19.9
70.06582	11.2
70.66531	4.0
71.01334	2.3
71.04607	1.8
71.04980	24.2
71.06922	6.0
72.04508	1.5
72.08124	3.0
73.06532	1.6
74.19083	1.0
79.05482	18.7
80.55560	1.1
81.03402	5.5
81.07043	100.0
82.07346	2.4
83.04977	5.5
83.08590	2.6
84.04490	7.3
84.08121	4.6
85.02872	4.1
85.06522	3.4
86.09668	2.4
87.04471	1.2
87.08131	1.5
88.02190	3.5
88.02708	1.1
91.05460	4.1
91.98621	1.0
93.07030	5.6
95.04948	4.3
95.08619	5.0
97.02840	1.1
97.06506	7.0
97.10180	1.1
99.04447	1.5
99.08071	4.8
101.06032	1.4
102.36131	1.0
103.05439	1.1
105.07003	4.4
107.08581	12.8
109.02859	1.2
109.06487	2.7
109.10146	17.6
110.80820	1.0
111.08051	4.6
111.11701	7.5
115.05431	13.7
117.06958	1.9
118.06543	1.3
121.10110	3.8
121.99422	1.1
123.11688	17.7
127.03870	1.6
127.07570	1.2
129.07018	2.1
130.05089	1.1
131.03949	1.7
131.04906	19.8
131.08557	5.2
132.05269	1.2
133.10101	3.8
139.11151	8.1
141.06955	3.1
143.04901	8.2
144.05666	2.0
144.09322	1.6
145.06429	2.4
145.10066	3.1
146.05957	2.5
151.11142	9.6
152.11496	1.1
155.03305	1.4
157.12193	2.7
159.04375	3.0
159.08020	4.5
159.11632	4.8
169.06293	1.1
169.10101	1.1
169.12222	4.2
172.08807	2.1
173.00768	1.4
187.03870	48.9
187.07420	8.4
187.11133	10.7
187.12660	1.7
187.14766	2.2
188.04242	2.2
188.06955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
53.68980	1.2
55.01848	2.2
55.05508	8.4
56.96542	2.7
57.03423	3.1
57.07054	4.0
59.04982	2.8
59.06097	2.0
60.04498	1.7
61.02930	1.4
65.03934	1.8
67.05192	1.7
67.05501	22.6
68.05031	1.4
69.03418	14.8
69.07059	11.3
70.06585	14.8
71.01328	2.9
71.04986	27.2
71.06908	6.3
71.68588	2.6
72.08137	3.0
79.05490	16.0
81.03408	18.0
81.07044	57.2
81.15714	1.4
82.06578	3.0
82.07384	1.4
83.04950	5.5
83.08591	5.7
84.04507	16.3
84.08127	2.4
85.02892	10.6
85.06538	28.9
88.02209	9.5
89.03897	3.3
90.04220	2.5
91.05460	18.3
93.07024	9.2
95.04950	5.2
95.08584	4.6
97.02885	2.7
97.06516	3.0
99.04436	3.8
99.08071	2.8
103.05450	5.1
105.07015	21.8
107.08574	16.7
109.02847	4.2
109.06494	4.5
109.10135	22.4
111.04469	1.6
111.11699	3.7
115.05414	29.2
116.98612	1.8
117.03381	1.3
117.06991	3.6
118.03671	4.1
118.06536	3.1
119.04940	2.4
119.08552	3.5
123.11690	9.5
124.07547	2.0
125.09602	2.1
126.05447	2.5
127.03877	3.4
127.07517	2.1
127.08667	1.9
128.06236	2.8
128.07066	2.1
129.06958	6.0
129.10159	1.8
131.04909	48.4
131.08527	13.5
132.05260	1.8
133.09164	2.0
133.10115	23.2
139.11165	4.1
141.06963	6.4
143.04907	18.3
143.08517	4.1
144.05681	8.0
144.09317	3.1
145.06439	4.4
145.10117	12.9
146.03130	5.6
146.05980	5.9
147.04355	1.9
151.11185	13.3
154.07661	1.9
157.06494	1.9
157.10020	1.7
158.07256	2.9
159.04379	5.7
159.06918	2.0
159.08072	15.1
159.11662	12.1
160.07561	2.0
169.04953	1.6
169.10016	3.0
169.12230	5.1
170.05960	1.7
172.05168	3.4
172.08788	5.9
173.00751	3.0
187.03876	100.0
187.05630	3.4
187.07407	18.4
187.11139	23.1
187.12700	2.6
187.14659	8.7
188.04216	4.6
188.06992	2.4
188.09178	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	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74561	0.5
71.14398	1.2
84.04483	0.5
91.05465	5.7
115.05430	6.9
117.05714	1.5
117.06998	4.1
118.06525	77.3
119.06881	1.4
132.08099	1.1
142.06508	7.0
143.07281	12.4
144.04474	0.6
144.08072	23.6
145.06422	0.9
146.05988	100.0
147.06342	3.3
155.06032	0.6
160.07579	1.5
170.05986	8.8
188.07048	20.4
189.07381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
65.94020	0.3
69.91102	0.3
71.41434	0.7
77.67715	0.3
81.53111	0.3
85.84715	0.3
87.61053	0.3
90.03133	0.3
91.05473	3.0
110.60244	0.3
115.05439	4.5
117.05746	0.7
117.07004	3.3
118.06522	46.3
119.06863	1.1
132.08090	0.7
142.06491	4.4
143.07294	6.4
144.04425	1.0
144.08066	21.2
145.06454	0.8
145.08360	0.6
146.05983	100.0
147.06331	2.5
155.05940	0.4
160.07549	1.4
170.05994	7.5
188.07040	22.4
189.07277	0.9
208.24435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0914
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.65537	0.4
55.05487	1.4
56.05023	3.0
57.03416	1.2
59.04984	1.8
60.04512	2.1
61.02917	8.2
67.05499	0.6
68.05014	1.1
69.03414	1.7
70.02946	3.1
70.06587	0.8
70.34578	2.4
71.04986	1.5
74.06039	0.5
81.03387	1.0
82.06569	4.3
82.71204	0.5
83.04965	5.8
84.04488	100.0
85.02887	20.6
85.04829	0.8
86.06054	0.9
87.04450	5.5
91.05493	1.2
96.04487	0.7
98.06033	1.1
100.07604	2.4
105.07013	2.0
110.06027	3.5
111.04424	2.1
115.05473	0.9
116.05814	0.7
118.06543	0.7
119.08554	1.0
121.06453	0.5
124.07570	0.5
126.05499	4.8
128.06177	1.2
128.07037	6.6
129.05487	2.0
130.00557	0.6
131.04904	0.7
131.08531	0.7
132.05273	1.2
132.08897	1.2
133.10094	0.9
142.08641	0.9
143.08563	0.6
144.05219	0.7
145.06390	0.7
145.10049	0.9
146.05988	1.2
146.08073	0.8
146.10483	2.0
147.08012	1.2
147.11646	0.7
158.00040	1.0
159.07976	0.7
160.08511	0.7
160.09724	1.4
160.12044	1.0
161.06003	0.6
161.13400	0.5
164.98492	0.8
170.08090	1.3
170.10535	0.6
171.06541	0.7
171.11629	0.5
173.02356	5.0
174.07912	0.5
188.04399	3.2
188.07072	2.2
188.09183	9.7
188.10674	1.1
188.11679	0.8
188.15123	1.8
189.09286	0.9
189.12738	2.3
189.16328	1.0
191.76283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1118
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
55.05505	30.2
57.03430	46.6
57.07064	71.7
59.99709	4.7
61.02906	15.0
63.41014	4.4
67.05476	14.8
67.10241	4.7
68.38380	4.9
69.03424	13.7
69.07045	23.5
69.42306	55.2
73.02898	13.5
79.05480	27.4
81.03423	5.3
81.07040	51.2
83.04955	12.9
83.08572	13.2
85.02887	21.3
85.06511	32.0
88.24997	4.3
91.05451	13.3
93.07027	12.4
95.04904	5.6
95.08576	13.8
105.07039	9.9
107.08584	10.5
109.06477	7.0
111.04420	10.1
111.08078	10.7
117.06983	8.6
119.08552	15.4
121.02762	6.1
125.09637	6.9
127.07534	100.0
131.08502	6.1
133.10100	15.4
147.11639	6.8
149.02361	12.3
153.09071	19.4
161.05936	6.6
161.09549	6.0
161.13287	6.0
168.12531	5.4
171.10077	6.7
171.11574	5.6
175.36102	5.8
189.05431	6.2
189.08998	6.7
189.12715	18.5
189.16295	9.1
209.58090	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	190.0495
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
65.86719	0.1
70.75325	0.5
81.80184	0.1
89.03905	1.5
97.77464	0.2
116.04961	3.8
120.04493	0.2
124.62242	0.1
134.05920	0.3
144.04422	0.6
146.39865	0.2
149.93730	0.1
162.05475	100.0
163.05838	2.3
164.05978	0.2
173.50156	0.1
185.07098	0.2
190.04964	29.4
191.05293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24311	0.2
64.95588	0.2
66.89901	0.2
70.75508	0.5
87.13733	0.2
89.03906	1.4
89.46103	0.2
99.60732	0.2
102.40851	0.2
116.04963	3.7
119.80620	0.2
130.04938	0.2
144.04393	0.6
162.05473	100.0
163.05836	2.5
182.62952	0.2
187.71960	0.2
190.04961	28.5
191.03714	0.2
191.05325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03922	0.3
55.01863	0.5
55.05487	1.4
67.05478	1.6
69.03400	1.2
69.07041	1.1
70.05365	0.7
70.05772	1.3
71.04967	0.8
79.05479	2.9
81.07049	2.0
83.01334	3.2
83.04948	1.2
83.08619	0.4
91.05446	3.4
93.07017	3.9
95.04938	1.1
95.08591	1.8
103.05439	1.0
105.03372	0.4
105.06333	0.6
105.07007	8.2
107.04932	1.3
107.08572	4.7
109.06498	0.9
109.10115	1.6
111.04425	7.9
115.05413	0.7
116.06193	0.5
117.06991	3.5
119.04861	0.4
119.08560	2.7
121.06477	4.8
121.10123	2.4
122.07244	0.8
123.08064	3.6
123.11667	0.4
128.06172	0.6
129.06970	1.0
130.07788	2.9
131.04881	0.8
131.08568	3.3
133.06464	1.0
133.10091	1.5
135.04393	0.4
135.08026	19.3
135.11653	3.1
136.08397	0.3
137.05942	0.4
143.08554	1.0
145.06421	1.0
145.10104	13.2
147.08054	0.5
147.11665	1.4
148.08720	0.6
149.05960	0.8
149.09627	2.0
149.13226	0.8
151.07498	1.1
155.08521	1.3
158.07249	3.6
158.10829	0.5
159.07956	0.4
161.05949	5.5
161.09584	0.4
162.06689	0.6
163.07487	1.3
163.11154	17.5
173.09592	14.9
173.13159	1.7
174.10025	0.5
175.07520	1.1
176.08302	20.3
177.08687	0.6
191.10634	100.0
191.17915	1.1
192.11024	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	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	3.2
55.01842	3.1
55.05487	6.5
57.07045	5.1
59.25829	2.3
65.03909	2.2
67.05500	21.8
69.03396	6.7
69.07050	9.8
71.04984	9.9
71.68560	2.3
71.68968	2.2
79.05476	19.0
81.07041	16.2
83.04972	6.5
83.08566	4.6
85.06507	2.9
89.95568	2.1
91.05465	36.6
93.07024	34.2
94.06574	1.9
95.04932	12.0
95.08598	17.7
97.06483	5.9
103.05426	6.1
105.07025	39.0
107.04898	2.6
107.08573	45.9
109.06500	22.7
109.10139	43.3
111.08047	2.8
111.78332	2.0
115.05422	4.6
116.06191	3.6
117.07000	16.9
119.08560	24.2
121.06467	9.1
121.10123	26.0
123.08073	12.6
129.06955	8.2
130.07767	3.6
130.25894	2.1
131.08549	73.9
133.06480	2.2
133.10095	21.7
135.07056	3.2
135.08032	50.3
135.11607	5.6
143.08537	14.7
144.09320	8.7
145.06404	2.3
145.10085	44.1
147.08037	3.5
147.11658	22.7
149.09589	10.0
149.13210	14.6
158.10884	16.6
161.09589	4.2
163.07481	3.3
163.11131	5.6
163.14774	3.8
173.09645	4.8
173.13231	93.6
173.95694	2.0
174.13527	3.2
176.11847	2.8
191.03368	4.8
191.06917	14.3
191.08612	2.5
191.10587	12.2
191.14268	100.0
191.96738	2.0
192.06500	3.5
192.10260	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84559	1.4
53.03930	3.5
55.01852	2.3
55.05497	11.1
57.03426	1.7
57.07057	2.8
67.05495	9.3
69.03419	18.6
69.07059	14.9
69.79039	10.5
71.04974	3.2
72.04490	6.7
72.04887	1.8
78.03774	3.5
79.05481	16.8
81.07043	30.0
83.04967	6.9
83.08591	4.0
85.06525	3.9
91.05456	26.5
93.07031	38.5
95.04958	7.3
95.08591	20.4
97.06518	8.7
98.21486	1.7
102.03740	3.3
103.02148	11.3
103.05416	3.7
105.07016	44.0
107.04939	4.6
107.08577	63.2
109.06532	12.2
109.10145	8.1
109.86095	1.7
111.08053	3.7
114.03768	2.0
114.05498	14.2
115.05427	6.0
117.07007	23.7
119.08564	25.6
120.04780	9.3
121.06478	16.4
121.10123	46.7
123.08046	10.7
129.06995	5.7
130.07742	3.5
131.04890	2.4
131.06377	1.8
131.08549	42.0
132.04747	1.9
133.06511	2.0
133.10101	51.6
134.10522	1.5
135.04362	1.9
135.08018	25.2
135.11652	14.2
137.09581	2.7
143.08540	11.7
144.09328	2.8
145.06467	2.3
145.10095	33.7
146.05968	5.0
147.08044	2.0
147.11673	21.3
148.05185	1.6
149.07402	6.3
149.09593	100.0
149.13237	22.2
150.09970	1.7
158.10910	15.3
160.05028	4.8
161.09512	2.2
163.07491	4.2
163.11148	7.2
163.14793	12.6
171.11748	1.5
173.09532	2.4
173.13232	51.8
174.05685	2.8
191.03368	5.0
191.06969	13.5
191.08482	3.2
191.10631	7.3
191.14276	93.5
192.14641	1.5
192.88608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03925	4.0
55.01847	2.6
55.05496	8.6
57.03417	3.7
57.07052	2.5
63.17852	1.8
67.05483	11.4
69.03418	14.5
69.07056	17.2
71.04966	3.6
71.09226	1.7
71.42352	4.7
79.05473	21.0
81.07040	32.1
83.04960	14.5
83.08592	4.9
85.06511	4.8
91.05450	23.9
93.07025	40.3
95.04946	8.4
95.08590	35.0
97.06519	12.9
99.28952	1.5
99.81697	1.8
103.05422	5.8
105.07007	42.2
107.04922	23.7
107.08572	85.4
109.06499	24.8
109.10095	12.2
111.08077	8.6
115.05451	3.1
116.06254	1.8
117.06986	8.0
119.08558	24.8
121.06484	53.0
121.10122	58.6
122.10421	2.2
123.08049	21.8
129.06987	3.3
131.04935	1.9
131.08546	45.4
133.06372	1.6
133.10106	33.0
135.08025	32.1
135.11676	9.7
143.08495	6.4
144.09323	5.3
145.10091	20.5
147.11670	24.9
148.05164	2.2
148.08771	1.9
149.09601	52.4
149.13196	18.6
158.10861	11.0
161.09546	1.7
163.07483	2.5
163.11179	7.9
163.14780	18.5
171.11641	2.4
173.13231	52.6
191.07013	4.0
191.14270	100.0
192.14680	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	6.5
55.01855	4.8
55.05508	10.0
57.03418	1.7
57.07058	3.3
59.04982	1.9
65.03923	2.8
67.05490	13.6
69.03416	39.9
69.07056	18.8
71.04339	3.5
71.05001	2.3
77.03870	1.2
79.05482	62.0
81.03403	1.4
81.07046	51.4
83.04976	15.2
83.08604	4.2
85.06522	3.1
91.05467	29.9
93.07037	34.1
95.04960	9.6
95.08590	16.6
97.06495	4.6
97.10133	1.5
103.05482	7.3
105.04485	1.2
105.07021	34.4
107.04937	31.8
107.08578	80.5
109.06522	7.3
109.10133	16.6
110.07287	1.4
111.08086	2.6
115.05430	3.4
116.06241	1.4
117.06994	8.0
119.06056	2.4
119.08548	15.0
121.06492	20.3
121.10128	33.7
122.07233	3.7
123.08053	5.6
129.06972	4.9
130.07803	1.5
131.04910	4.5
131.08546	24.6
133.06451	2.5
133.10112	94.3
134.10440	1.9
135.04378	1.4
135.08023	20.7
135.11678	12.2
136.08769	2.2
137.09592	20.3
143.08537	6.1
144.09340	1.7
145.06506	1.6
145.10104	14.7
147.11667	20.2
148.05197	1.6
148.08815	1.4
149.05980	3.8
149.09634	10.2
149.13214	17.8
158.07095	1.3
158.10905	9.1
161.09605	5.3
163.03899	1.9
163.07520	3.8
163.11145	4.2
163.14761	6.0
173.09644	3.2
173.13239	27.0
176.04532	1.2
190.13986	1.2
191.03349	3.5
191.06952	7.3
191.10686	8.8
191.14291	100.0
191.17960	4.5
192.14600	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02751	0.3
53.03930	1.0
55.01863	4.4
55.02386	0.4
55.05500	2.6
55.74986	0.3
57.07065	0.9
57.60829	0.4
62.37706	0.3
67.05484	3.0
69.03418	2.0
69.06693	0.8
69.07057	16.5
69.38290	4.1
71.04964	0.8
79.05484	5.2
81.03393	0.6
81.07040	4.8
83.04962	2.2
83.08598	1.4
91.04928	0.5
91.05463	7.4
93.07030	19.8
95.04940	1.7
95.08589	7.4
97.06521	2.7
97.10132	0.7
103.05465	2.4
105.07011	8.2
107.04940	1.3
107.08572	15.1
109.06503	2.2
109.10133	4.6
111.08067	0.5
115.05408	1.1
116.06165	0.4
117.07026	2.8
118.04154	0.7
119.08549	4.6
121.06486	18.4
121.10124	11.6
123.08047	3.3
123.11657	0.9
129.06941	1.1
130.07724	0.6
131.04880	1.2
131.08542	7.0
133.06458	0.8
133.10104	8.0
133.11032	0.7
135.08034	12.0
135.11670	7.5
137.09592	1.5
143.08513	1.3
144.09273	0.8
145.06406	0.6
145.10092	6.2
147.07974	0.8
147.11659	25.9
148.05196	1.0
148.08691	0.4
148.12035	1.0
149.05989	0.7
149.09598	4.8
149.12105	0.7
149.13231	9.3
150.05463	1.0
152.81068	0.4
158.10928	2.3
160.05014	0.6
161.09584	6.8
163.03911	0.5
163.07516	1.6
163.11139	2.5
163.14812	1.7
173.09590	1.1
173.13239	12.8
176.04741	0.6
176.08350	0.6
176.11960	2.4
176.19525	0.3
189.65666	0.4
191.03401	2.5
191.07065	3.0
191.10684	4.6
191.14279	100.0
192.10257	0.7
192.14590	2.7
210.90773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0764
Annotation	Carbendazim
Peak:m/z	Relative Intensity
52.22538	0.2
58.02143	0.2
69.90308	1.2
70.29620	0.2
79.05465	0.3
91.05441	0.6
92.04986	0.4
93.07011	0.2
95.36808	0.2
99.47773	0.2
103.05396	0.2
105.04467	0.4
105.07022	0.5
107.04913	0.2
107.08582	0.3
108.08899	0.3
109.06497	0.3
109.07576	0.2
110.07117	0.3
119.04956	0.4
121.06493	1.1
131.08632	0.2
132.05540	2.7
132.95810	0.2
133.06372	0.9
133.10107	0.8
134.10454	0.2
135.05504	0.4
146.05992	2.5
147.08098	0.3
147.11632	0.3
150.96878	0.5
160.05040	100.0
161.05406	1.5
174.05496	0.2
174.13545	0.3
190.70532	0.2
192.07672	18.5
192.14590	0.6
192.17467	0.7
193.04951	0.7
193.08047	0.4
193.12466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.05502	0.4
55.80985	0.1
59.88670	0.2
63.34827	0.1
65.03923	0.2
67.01855	3.4
67.05485	0.8
68.99773	1.8
69.03418	0.2
69.07048	0.2
70.87560	0.5
79.05468	0.5
81.03383	0.4
81.07034	0.6
83.04932	0.4
85.02894	2.1
85.06500	0.2
91.01820	0.4
91.05466	1.0
93.07011	0.5
95.04955	0.4
95.08580	0.6
99.08060	0.5
103.05437	0.2
105.03350	0.2
105.07026	1.3
107.04925	0.3
107.08560	0.6
109.02866	0.5
109.06499	0.4
109.10149	1.0
111.08060	0.1
119.04903	0.5
119.08578	0.9
121.10056	0.2
123.04388	0.2
123.07996	0.2
124.05222	0.4
125.02348	0.2
125.05968	1.5
127.03880	1.0
133.02821	0.8
133.06441	0.5
133.10126	1.2
135.11688	0.2
137.05963	0.5
137.09586	0.8
147.04402	2.1
147.08009	0.3
147.11667	0.4
151.03897	1.3
153.01808	2.8
161.05936	0.5
165.05461	0.3
169.04948	1.4
171.02940	0.2
175.03871	0.4
175.11034	0.2
175.14861	0.3
178.02519	0.4
187.45586	0.2
192.04178	0.2
193.04938	100.0
193.15826	0.6
194.05328	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	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03917	4.7
55.01853	2.3
55.05509	13.4
57.03419	3.9
57.07057	4.5
65.03921	4.0
66.04040	1.4
66.95087	1.3
67.05494	15.4
69.03416	19.7
69.07043	6.4
70.43076	6.4
71.04973	14.5
72.78603	1.6
79.05475	18.8
81.03396	3.0
81.06603	2.6
81.07045	32.6
83.04953	4.9
83.08595	1.7
85.02855	2.6
85.06512	5.2
91.04919	2.4
91.05466	36.1
93.07037	38.7
94.04151	1.8
95.04945	12.8
95.08593	25.8
103.05444	4.2
105.03387	2.1
105.07014	100.0
106.07352	2.0
107.04943	7.6
107.08580	51.1
109.06503	42.3
109.07629	2.3
109.10139	8.6
111.04377	2.2
115.05426	3.6
117.06976	7.7
119.04922	4.0
119.08567	52.6
121.06489	33.5
121.10121	5.2
122.07029	2.1
123.04400	5.2
123.08038	30.4
123.11674	5.2
129.06998	3.2
131.08543	10.6
133.02823	5.1
133.06493	10.3
133.10114	73.1
134.07050	1.7
134.10381	1.6
135.08035	45.0
135.11658	4.1
137.02341	1.6
137.05946	8.9
137.09639	3.7
142.07738	9.6
145.06476	3.5
145.10104	4.9
146.07263	2.8
146.97412	2.8
147.04373	6.1
147.08034	9.0
147.11662	61.0
149.05858	2.1
149.09613	7.9
151.03874	2.6
151.07509	9.5
151.11169	13.1
157.10089	16.4
160.08757	5.5
161.06004	3.4
163.03951	1.8
163.11137	2.0
165.05470	4.0
165.12732	18.1
169.31575	1.4
175.03870	2.3
175.11162	47.7
175.14784	1.7
178.02629	3.7
193.04953	27.7
193.06731	3.1
193.08534	4.6
193.10802	2.3
193.12216	52.3
193.15860	5.3
193.17554	1.6
194.08066	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03928	3.2
55.01855	4.7
55.05502	27.7
57.03419	3.5
57.07056	8.5
59.04978	3.2
65.03927	4.1
67.05493	53.2
69.03404	8.6
69.07058	18.0
71.04968	5.8
71.13133	6.4
78.99871	1.7
79.05479	21.3
81.03401	4.7
81.06603	3.5
81.07044	37.7
83.04953	8.9
83.08603	7.4
85.06522	16.3
91.05461	34.6
93.07029	40.6
95.04962	9.9
95.07997	3.8
95.08591	53.5
97.06495	5.6
99.08067	23.7
103.05433	5.7
105.07014	65.1
107.04974	2.7
107.08569	31.0
109.06514	13.5
109.10131	73.9
111.07989	4.1
115.05420	5.8
117.06980	5.1
118.04114	2.4
119.08558	100.0
121.06511	2.2
121.10123	17.6
123.04473	2.6
123.08035	11.3
123.11659	9.8
125.09605	3.0
129.06992	3.0
131.08517	6.4
133.02815	3.2
133.06471	28.3
133.10109	97.2
134.10445	2.4
135.08020	2.4
135.11665	48.3
137.05907	4.6
137.09589	51.4
145.10121	5.5
147.08043	5.4
147.11653	31.1
149.02350	3.6
149.13278	11.1
150.03079	5.7
151.03802	2.0
151.07510	2.4
151.11148	7.1
151.14835	4.9
157.09988	2.6
159.11702	3.3
160.12399	2.8
161.05936	21.4
165.05435	11.6
175.03844	3.7
175.11206	5.8
175.14792	98.5
176.15173	2.2
178.02618	5.4
193.04916	24.3
193.06511	2.7
193.07072	2.2
193.08556	15.3
193.10112	2.9
193.12209	5.5
193.14091	4.4
193.15857	75.1
194.15305	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05272	2.0
55.05504	20.8
57.03398	1.8
57.07057	6.7
59.04966	1.9
60.20434	1.4
67.05491	24.7
69.03419	10.1
69.07054	24.6
69.71999	12.3
71.04954	6.3
79.05479	12.5
79.18887	1.3
79.31937	1.4
81.03390	2.8
81.07036	27.3
83.04957	17.9
83.08596	11.3
85.06509	4.1
88.86953	1.5
91.05457	17.2
92.25443	1.6
93.07025	21.4
95.04935	4.3
95.08010	3.4
95.08589	55.8
96.44196	1.4
97.06487	2.1
97.10117	2.1
98.21436	2.0
98.74095	1.5
99.08085	2.8
101.30179	1.6
103.05457	3.3
104.39368	1.5
105.06336	2.3
105.07011	37.5
107.07840	1.7
107.08572	47.6
109.06494	18.1
109.10133	66.3
110.10435	1.9
111.08067	10.5
115.01671	1.5
115.05421	3.8
117.07014	3.6
118.04084	1.8
119.08556	76.6
121.10124	22.4
123.08036	28.6
123.11693	8.7
124.73563	1.6
125.09566	2.6
129.06949	2.1
131.08540	4.5
133.02786	2.1
133.06464	10.9
133.10107	70.6
135.11670	60.2
136.11948	1.6
137.05946	2.3
137.09570	24.4
138.10376	3.9
145.10011	2.8
147.11674	17.9
149.13232	17.0
151.11124	10.8
151.14761	12.8
160.12437	3.3
161.05963	10.3
161.36314	1.5
165.12726	2.5
165.16310	2.7
175.03722	1.5
175.07544	2.2
175.14790	100.0
176.15132	2.3
186.94014	1.6
193.04903	9.1
193.08510	8.1
193.10139	1.7
193.12195	4.3
193.15849	66.6
196.11971	1.8
197.23680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03925	3.7
54.49496	1.2
55.01850	1.9
55.05502	19.6
55.39441	1.3
56.96547	2.3
57.03414	1.5
57.07051	6.1
59.04978	1.9
65.03922	2.3
67.05495	30.6
69.03407	6.2
69.07056	14.1
69.66405	4.4
69.66827	6.8
71.04977	5.3
77.03923	1.8
79.05474	18.3
81.03391	8.8
81.07040	31.3
83.04983	9.4
83.08603	5.3
85.06528	14.1
91.05462	31.3
92.04973	2.2
93.07027	36.6
95.04958	12.2
95.07999	2.5
95.08589	36.6
97.06511	3.1
97.10168	2.1
99.08078	38.5
103.05468	3.9
105.06328	2.7
105.07013	48.8
107.04976	2.2
107.06075	1.5
107.08580	34.7
109.06487	9.0
109.09398	2.9
109.10134	46.9
110.10460	1.2
111.08057	4.1
115.05433	3.2
117.06994	6.6
119.08561	100.0
121.06461	4.5
121.10120	14.2
123.04384	2.1
123.08047	10.8
123.11710	7.0
129.06955	3.5
131.08548	6.1
133.02835	3.3
133.06467	13.7
133.10106	63.1
134.07065	2.3
134.10394	1.6
135.08034	2.7
135.11668	43.1
137.05948	4.4
137.08577	3.0
137.09595	26.8
140.97462	1.4
145.10149	2.0
147.04411	2.4
147.06284	2.6
147.08038	3.2
147.11661	35.2
149.05916	3.0
149.09546	3.0
149.13208	6.8
150.03175	2.4
150.10242	1.8
151.07523	2.3
151.11177	8.3
151.14822	5.0
157.10141	2.6
160.12366	1.7
161.06000	7.5
161.92294	1.4
163.03856	2.1
165.05478	4.4
165.09061	2.1
165.12712	2.6
165.16431	2.6
175.03824	1.8
175.07571	3.1
175.11182	11.4
175.14799	57.7
178.02577	4.3
178.07716	2.1
181.28471	1.2
193.04924	27.5
193.06708	2.2
193.08533	11.5
193.10071	2.6
193.10402	2.5
193.12158	11.7
193.15865	50.2
193.39819	1.2
194.02779	1.6
194.04446	4.8
194.08070	3.3
194.15414	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03931	3.9
55.01855	2.3
55.05502	28.8
56.93209	1.2
56.96540	1.4
57.03412	3.2
57.07051	6.6
59.04976	3.5
63.56541	1.2
65.03913	3.8
67.05491	48.0
69.03399	3.7
69.07059	15.9
71.04978	2.7
77.03891	1.5
79.05479	19.9
79.64642	1.3
81.03412	8.2
81.06609	2.0
81.07043	28.4
82.12770	1.3
83.04958	9.7
83.08591	6.1
85.06519	26.3
91.05460	27.5
93.07027	33.4
95.04955	9.1
95.08588	38.8
97.06490	2.1
97.10149	1.8
98.20654	2.3
99.08076	100.0
100.08399	2.0
103.05426	4.4
105.03369	2.1
105.06336	2.8
105.07014	45.3
107.04897	1.7
107.08572	33.8
107.67912	1.3
109.06490	11.8
109.10133	83.2
110.10427	1.5
111.08040	5.9
115.05425	3.6
117.06989	2.5
119.08556	67.2
121.10129	15.3
122.07276	1.6
123.04384	2.0
123.08048	17.6
123.11685	9.1
131.08542	3.3
133.02831	4.9
133.06476	14.3
133.07426	2.4
133.10106	44.7
135.08023	3.1
135.11670	33.5
137.05907	4.0
137.06938	1.4
137.09592	44.6
138.10371	2.5
147.04388	2.6
147.08015	4.1
147.10597	1.8
147.11671	23.8
148.08699	1.6
149.05925	1.6
149.09583	1.8
149.13225	6.1
151.03851	4.1
151.07492	3.1
151.11166	10.8
151.14767	3.9
157.10182	1.5
161.05946	11.3
165.05423	2.8
165.07803	1.4
165.09090	2.2
165.12720	1.4
165.16312	3.5
169.41515	1.6
175.03879	2.5
175.11217	8.2
175.14784	35.7
178.02599	6.9
180.02679	1.3
193.03212	1.8
193.04958	32.9
193.06718	2.8
193.08588	11.4
193.10098	2.1
193.12219	8.6
193.15849	77.6
194.15285	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	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	1.2
55.01851	1.3
55.05503	9.9
57.07058	2.0
59.04966	1.9
67.05489	11.2
69.03398	3.0
69.07056	25.2
71.04976	14.7
79.05477	8.4
81.03403	1.8
81.07043	21.4
83.04951	2.7
83.08601	2.7
85.06519	11.3
85.34729	0.9
85.58870	1.0
87.05725	1.1
91.05455	9.2
93.07020	27.0
95.04950	38.9
95.08586	20.1
97.06501	3.3
97.10143	9.3
99.08070	3.9
103.05455	2.0
105.07018	13.3
107.08572	33.2
109.06497	100.0
109.10144	15.6
110.06815	1.8
111.08042	5.3
111.11707	2.1
119.07729	2.2
119.08549	27.6
119.41046	1.1
121.02764	1.1
121.10126	8.9
123.04432	1.2
123.08032	8.5
123.11682	21.0
125.09584	1.1
131.08482	1.8
133.02766	1.3
133.06519	2.6
133.10097	24.3
135.08076	1.1
135.11661	31.6
137.05925	2.6
137.09592	14.0
145.10085	1.0
146.97372	1.4
147.04430	1.9
147.08047	1.2
147.11652	5.4
149.02315	1.5
149.13239	9.7
151.07545	1.5
151.11139	6.3
161.05927	3.5
165.05437	4.9
165.09035	1.3
175.03806	2.2
175.14790	36.1
178.02562	1.8
193.04909	19.5
193.08450	1.9
193.10036	2.9
193.12149	3.0
193.15842	55.8
194.08133	2.9
194.15416	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	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.41558	0.3
53.03937	0.8
55.01853	0.7
55.05501	0.7
57.03424	0.5
63.02378	0.9
65.03914	0.9
67.05489	1.4
68.99768	0.6
69.03431	0.9
69.07059	1.2
71.04966	0.7
71.05508	1.0
78.04706	1.1
79.05460	1.9
81.03388	0.4
81.07046	1.8
83.04945	0.6
83.08584	0.5
84.08128	0.4
85.02893	0.4
89.03902	30.2
89.05996	0.4
91.05471	3.9
93.03419	0.6
93.07016	3.2
95.04955	2.2
95.08604	1.4
97.06526	0.7
99.04430	0.4
103.05460	1.7
104.07470	0.4
105.07018	1.1
106.04170	2.1
106.50953	0.4
107.04921	1.9
107.08582	3.4
107.52931	0.4
109.06493	1.2
109.10120	0.6
111.04413	1.1
111.08123	0.6
117.03360	51.3
118.03693	0.9
119.08570	0.5
121.02882	0.4
121.06493	2.1
121.10120	1.7
124.05190	0.6
125.05997	1.1
131.04973	0.5
131.08502	0.6
131.96118	0.9
133.10179	0.5
134.03603	8.4
135.04387	9.1
135.08011	3.1
135.11656	2.0
136.74144	0.5
137.05966	0.4
137.09592	4.6
139.07524	0.7
144.69624	0.5
145.02821	90.4
146.03146	1.8
147.04515	0.6
148.97287	0.6
149.05952	24.2
149.09604	1.6
149.13235	0.6
149.97165	2.3
150.06392	0.5
151.11006	0.4
153.05431	1.1
158.06024	0.4
159.11610	0.6
162.03081	2.0
163.03877	11.8
167.03386	0.6
171.98895	0.8
172.98750	0.8
177.05438	100.0
177.12723	1.5
178.05901	2.0
178.12199	1.3
186.05455	2.3
188.84021	0.4
195.02881	2.6
195.05142	0.5
195.06624	1.1
195.08260	0.4
195.10165	1.7
195.11890	0.6
195.13814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03933	0.7
55.01862	0.7
55.05500	0.7
63.02368	0.8
66.41073	0.5
67.05490	1.0
69.03403	0.7
69.07064	0.5
69.53752	1.2
69.54175	2.9
74.15032	0.4
78.04696	1.5
79.05482	2.4
81.07037	1.4
83.04973	1.1
89.03899	28.0
91.05466	3.2
93.06499	0.5
93.07001	2.7
95.04949	1.8
95.08620	0.8
95.80482	0.4
98.20710	0.6
103.05451	1.0
104.22698	0.4
105.07041	1.3
106.04136	1.4
107.04934	1.2
107.08578	2.5
109.06510	0.5
109.10110	0.7
111.04408	1.2
111.08021	0.7
117.03357	51.1
118.03687	0.8
119.04896	0.7
119.08557	1.2
121.06473	2.0
121.10117	1.0
124.05204	0.8
125.05949	0.8
131.96161	0.4
133.10085	0.5
134.03615	7.9
135.04391	8.8
135.08029	2.1
135.11647	1.7
137.09589	3.8
139.07530	0.6
145.02817	88.3
146.03148	2.3
149.05945	20.6
149.09566	1.0
149.13249	0.8
149.97165	1.4
150.06308	0.4
151.03821	0.5
153.05479	1.0
158.06087	0.6
159.11638	1.0
162.03125	2.3
163.03871	9.8
176.02328	0.4
177.05432	100.0
177.12724	1.4
178.05870	3.1
178.12239	2.3
186.05460	2.6
191.67975	0.5
195.02840	1.6
195.05373	1.7
195.08041	0.8
195.10083	1.1
195.11757	0.5
195.13823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.40916	0.5
53.03945	1.5
54.93832	0.6
55.01863	1.4
55.05502	1.7
56.05033	0.5
57.03423	0.9
57.07064	1.0
62.89405	0.5
63.02376	1.3
63.63027	0.5
64.98448	0.5
65.03932	0.7
67.05485	2.5
68.05034	0.6
68.96324	1.5
68.99775	0.9
69.03413	2.1
69.07060	1.5
69.88277	3.7
69.96160	6.5
70.06586	1.2
71.04975	1.0
71.94093	2.5
77.03930	0.7
78.04700	2.1
79.05481	5.7
80.04996	0.6
81.03397	1.3
81.07034	2.1
82.06536	0.5
83.04971	1.5
83.06096	0.6
84.08139	1.2
85.02901	1.2
89.03897	28.0
89.06032	1.0
90.04231	0.8
91.05463	6.8
93.03399	1.2
93.07026	6.9
95.04955	2.8
95.06133	0.6
95.08598	2.1
97.02859	0.7
97.06527	1.6
97.07642	0.8
99.04443	0.8
103.05448	2.4
105.03373	0.8
105.07008	4.6
106.04145	2.4
107.04931	4.2
107.08575	6.4
107.26414	0.5
108.05596	0.6
109.02874	1.1
109.06484	1.8
109.07607	1.0
109.10120	1.4
109.98915	1.1
111.04425	2.4
111.05531	0.6
111.08078	0.9
113.95052	1.0
117.03355	53.2
117.06963	0.9
118.03716	1.6
119.08551	4.0
121.02845	1.6
121.06487	4.2
121.10121	3.9
122.06054	0.6
123.04377	1.5
123.08015	1.0
124.05164	1.1
125.05972	1.8
126.05492	1.7
127.99951	1.0
130.96310	1.1
131.08528	2.2
131.96114	15.8
133.02844	1.5
133.06485	2.2
133.10101	0.8
134.03600	8.9
135.04395	12.4
135.08015	3.3
135.11679	2.8
136.05011	0.8
137.02344	1.2
137.05998	1.1
137.09576	2.8
137.10533	0.5
138.03096	1.3
139.03864	1.9
139.04987	0.5
139.07462	1.1
145.02815	100.0
146.03185	2.7
147.04396	0.5
147.08034	0.9
148.97360	2.6
149.02325	2.7
149.05952	25.3
149.09572	4.2
149.11375	0.5
149.13213	1.4
149.97169	40.6
150.05357	0.8
150.06418	0.8
151.03854	2.6
151.07559	1.2
151.11110	0.5
153.05435	17.4
153.09102	0.8
153.10251	1.0
153.97931	0.8
154.04930	9.2
154.97713	7.2
158.05893	0.6
159.07936	0.7
159.11697	0.7
160.04042	0.6
162.03101	2.4
163.03871	16.1
165.06924	0.9
167.03380	2.0
167.07028	0.9
167.08585	0.7
167.98224	6.6
171.98933	1.8
172.98775	16.0
177.05434	97.0
178.04828	1.8
178.05960	1.3
180.09331	1.4
186.05453	3.2
190.99806	0.8
195.02866	7.6
195.06445	2.4
195.08408	2.2
195.10133	4.2
195.11812	2.2
195.13838	1.8
195.15628	1.0
196.00356	1.0
196.06059	1.3
196.16788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03917	0.9
55.01855	1.0
55.05499	2.4
56.96550	0.3
57.03407	0.3
57.07061	0.8
58.98596	0.3
59.04982	0.5
65.03928	1.2
67.05489	8.2
68.60806	0.3
68.99755	0.8
69.03416	7.6
69.07059	3.3
69.96159	0.6
70.06586	0.4
70.94831	0.8
70.95169	0.5
71.01347	0.3
71.04613	0.6
71.04977	5.0
79.05476	4.0
81.03382	0.4
81.07040	9.1
83.04961	1.3
83.08611	0.7
84.08115	0.7
85.02872	0.9
85.06522	0.9
89.03900	4.7
91.05457	6.4
93.07028	12.1
95.04948	5.6
95.08590	6.9
97.06522	1.7
97.45414	0.3
103.05444	0.8
105.07015	4.9
107.04928	1.5
107.08573	24.3
108.05595	0.6
108.08875	0.4
109.06503	4.9
109.10136	6.0
111.04425	1.2
111.08072	1.1
111.53461	0.4
117.03360	8.0
117.07013	1.8
119.04915	0.4
119.06036	0.6
119.08556	12.8
121.02812	0.9
121.06480	6.8
121.10123	9.3
123.04375	0.3
123.08080	2.3
125.06001	0.8
125.07120	0.4
125.09630	2.4
129.06958	0.5
131.08554	2.6
131.96115	1.3
133.06342	0.4
133.10097	4.6
134.03622	1.2
135.04417	2.1
135.08029	11.9
135.11665	20.2
136.08562	0.5
136.12036	0.5
137.09587	100.0
138.09904	2.8
139.03880	0.6
139.07512	1.1
139.11151	0.4
144.09343	1.6
145.02814	12.9
149.02296	0.5
149.05951	3.9
149.09583	2.5
149.13226	7.6
149.97188	3.1
150.06407	0.4
151.11188	0.7
153.01808	4.6
153.05432	1.0
153.09064	0.5
153.12631	0.4
154.97699	0.7
157.10040	0.4
159.11668	8.6
162.09015	0.5
163.03879	3.1
171.02806	0.4
172.98740	0.8
174.26865	0.3
177.01878	0.5
177.05437	12.6
177.09140	1.0
177.12715	25.4
178.04924	0.7
178.13223	0.4
186.05544	0.6
195.02855	3.1
195.04410	0.4
195.04970	0.4
195.06516	2.8
195.08243	0.6
195.10136	1.4
195.12033	0.5
195.13809	4.1
195.15567	0.6
196.09647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.78242	0.4
53.03923	0.7
55.01854	1.0
55.05501	2.5
55.35250	0.4
57.03414	0.5
57.07071	0.8
65.03919	0.7
67.05493	8.6
69.03418	7.2
69.07056	2.9
69.36235	1.0
69.36657	3.5
70.06581	0.5
71.04981	5.0
79.05479	4.8
81.03403	0.6
81.07047	8.9
83.04947	1.2
84.08125	0.4
85.02880	0.5
85.06531	1.0
89.03890	3.8
89.06004	0.5
91.05469	5.7
93.03412	0.5
93.06433	0.5
93.07027	10.5
95.04957	6.3
95.08589	7.5
97.06517	2.3
105.07021	4.2
106.04156	0.8
107.04942	1.3
107.08578	24.4
108.08910	0.6
109.06509	3.9
109.10144	5.8
111.04453	1.1
111.08072	0.9
115.05402	0.7
117.03361	7.7
117.06991	1.8
119.08566	11.9
121.02821	0.4
121.06484	5.6
121.10127	9.9
123.08053	3.2
125.09598	2.6
129.06982	0.6
131.08566	2.6
131.96133	0.9
133.10100	5.8
134.03603	1.4
135.04405	1.6
135.08029	10.7
135.10616	0.6
135.11671	20.3
137.09593	100.0
138.09941	2.5
139.03882	0.5
139.07507	1.5
139.11053	0.4
144.09309	1.5
145.02832	13.4
146.03192	0.4
148.08701	0.4
148.97330	0.5
149.02298	0.6
149.05971	4.0
149.09583	2.6
149.13225	8.0
149.97166	1.7
151.11105	0.6
153.01802	5.0
153.05420	1.2
153.06599	0.5
153.12691	0.5
159.11659	9.3
163.03889	2.7
163.05107	0.5
167.06984	0.5
171.99002	0.5
172.98674	0.4
177.01894	0.4
177.05444	14.6
177.09151	1.0
177.12718	26.5
178.13055	0.8
186.05405	0.7
195.02844	2.5
195.06509	2.5
195.10115	1.0
195.13760	3.4
196.16908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.70683	0.5
51.91038	0.5
51.94699	0.5
53.03919	0.8
54.05394	0.4
55.01846	0.8
55.05492	3.4
56.96526	0.6
57.03405	0.6
57.07051	1.2
57.68887	0.5
59.04982	3.0
65.03964	0.7
67.05493	8.4
69.03413	7.4
69.07055	3.9
70.97205	1.6
71.04975	4.9
78.55909	0.4
79.05485	4.6
81.07041	9.9
83.04961	5.4
83.75279	0.5
85.06523	1.0
89.03901	1.5
91.05458	5.3
93.07024	14.7
95.04954	5.1
95.08588	19.3
97.06499	2.1
98.15538	0.5
99.08057	1.0
105.07017	3.7
107.04916	1.2
107.08568	24.2
109.06501	4.3
109.09403	0.7
109.10135	9.9
111.04364	0.5
111.08033	2.3
113.83916	0.6
117.03345	2.7
117.07020	2.3
119.08554	12.4
121.06472	5.5
121.10117	12.3
123.08040	1.0
125.05974	0.7
125.09635	2.4
129.06976	0.9
131.08527	3.3
133.10098	7.4
135.04454	0.5
135.08029	14.0
135.11658	24.5
136.11984	0.8
137.09584	100.0
138.09900	2.5
139.07513	2.1
144.09322	2.0
145.02823	5.2
149.05898	1.8
149.09546	1.4
149.13228	8.7
151.11044	0.5
153.12746	1.9
159.11670	11.7
163.03825	1.6
165.07034	1.2
177.05424	5.2
177.09187	0.9
177.12708	26.4
178.13083	0.7
195.02747	1.0
195.06480	3.4
195.10126	1.7
195.11743	1.3
195.13759	9.2
195.15437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	3.4
55.01863	4.2
55.05507	14.6
55.47404	1.4
56.96552	2.0
57.03421	4.8
57.07067	3.3
65.03922	3.4
67.05496	54.9
68.96353	1.3
69.03422	2.4
69.07060	15.0
70.55722	1.2
71.01332	2.6
71.04977	5.5
71.10101	3.5
71.73273	1.2
73.02887	2.0
77.03891	1.4
79.05479	40.3
81.03413	7.9
81.07042	100.0
82.07375	2.3
83.04964	14.0
83.08616	8.2
84.08114	1.3
85.02913	1.4
85.06522	4.2
89.03916	1.9
89.06033	3.5
91.05465	27.6
93.07030	60.0
95.04957	12.6
95.08591	44.0
97.06517	13.3
98.06031	1.4
99.08102	1.6
103.05460	2.4
105.07013	11.4
107.04930	7.0
107.08575	28.6
109.06526	4.3
109.10147	4.7
111.04452	3.3
111.08076	8.3
113.06022	1.8
113.45723	1.1
117.03369	2.6
117.06998	8.9
119.08564	3.6
121.06480	8.5
121.10142	10.2
123.08027	2.3
123.11702	1.9
125.05976	2.1
130.96312	1.5
131.08553	11.0
131.96133	1.8
131.97433	1.2
133.10114	14.2
135.04431	3.6
135.08037	8.3
135.11674	36.4
136.12115	1.6
137.09601	1.3
139.07481	1.5
139.11127	1.3
141.45667	1.0
145.02835	4.8
148.97354	1.8
149.02347	1.6
149.05975	4.9
149.09610	5.0
149.13232	21.0
149.97191	4.0
151.11165	2.5
152.07111	1.4
153.05499	2.7
153.08994	1.3
159.11664	18.2
163.03882	7.1
164.07072	1.2
165.07007	3.4
167.07118	2.4
167.08600	4.0
175.85197	1.1
177.05415	7.4
177.09122	2.2
177.12700	14.3
180.09300	2.4
182.04152	1.7
195.02885	6.1
195.06497	4.5
195.08160	5.6
195.10083	2.5
195.11676	5.2
195.13806	15.8
195.15715	3.3
196.09724	1.9
196.17017	2.5
197.49718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03933	4.2
55.01876	5.1
55.05507	14.3
55.09151	0.9
55.90691	0.9
57.03419	2.9
57.07063	3.1
59.04993	1.7
61.92081	0.9
65.03939	4.5
67.05494	75.6
68.05818	1.1
69.03416	5.7
69.07058	19.4
70.06580	1.2
70.30115	4.4
71.01341	1.7
71.04987	7.5
73.02908	1.7
77.26354	1.0
79.05481	41.6
81.03411	4.5
81.07043	100.0
82.07381	1.1
83.04967	9.0
83.08598	11.4
84.08112	1.2
85.02864	1.6
85.06521	7.7
89.03910	1.5
89.05987	1.2
91.04920	1.8
91.05466	28.1
93.07029	65.0
94.07344	1.8
95.04951	11.1
95.08588	45.2
97.06516	18.6
97.10152	3.4
97.40273	0.9
98.06059	1.1
98.21467	1.3
99.04391	1.9
99.08067	2.7
103.05472	2.6
105.04510	1.2
105.07014	14.5
105.32824	0.9
107.04937	24.3
107.08575	30.6
108.22514	1.0
109.02853	1.3
109.06496	8.0
109.10147	6.4
111.04427	3.0
111.08072	7.8
111.11689	1.0
113.06000	1.4
113.09595	1.3
115.05447	2.1
117.03334	1.5
117.06986	12.4
119.08582	3.6
121.06486	8.0
121.10120	14.0
123.04404	1.9
123.08073	4.6
123.11655	1.7
125.05968	2.0
125.09637	2.7
131.08534	13.4
133.10107	16.4
135.04381	4.8
135.08028	11.8
135.11671	42.8
136.11977	1.3
137.05942	1.5
137.09541	1.6
137.13202	1.7
139.03891	2.0
139.07521	2.6
139.11169	1.8
145.02821	5.4
147.11728	0.9
148.97314	2.3
149.05988	4.7
149.09589	6.3
149.13235	27.3
149.97168	3.3
151.07413	1.2
151.11171	5.4
152.06155	1.8
153.01813	1.5
153.05467	2.8
153.09097	2.1
159.11661	25.9
160.12016	1.0
163.03906	5.6
163.07506	5.8
165.06987	4.9
167.07001	2.6
167.08536	2.4
171.98982	0.9
172.98820	1.1
177.05429	7.9
177.09062	4.1
177.11414	0.7
177.12714	19.5
177.16338	2.5
180.09314	3.3
195.02901	6.9
195.04768	1.5
195.06465	11.4
195.08096	3.0
195.10159	6.0
195.11722	5.9
195.13800	19.3
195.15622	2.3
195.17456	3.9
195.59268	1.0
196.05946	1.1
196.17059	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	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03938	0.7
55.01864	3.2
55.05491	1.1
55.93516	0.7
56.96546	0.8
57.07056	0.8
57.46724	0.3
58.15109	0.4
59.04966	0.3
65.03925	1.9
67.05499	3.4
69.03450	0.4
69.07059	0.9
70.06575	0.8
70.95849	5.9
71.04983	0.8
71.06108	0.4
71.68800	0.4
72.93780	2.9
73.02905	19.3
79.05473	1.5
81.03401	0.6
81.07028	1.8
83.04965	0.5
83.08595	0.5
85.02911	0.5
85.06499	0.5
88.96874	1.3
90.94791	0.7
91.03950	0.8
91.05460	3.9
93.03393	0.5
93.07030	1.9
95.04947	3.1
95.06073	0.7
95.08585	2.4
96.05585	0.7
97.06474	0.6
105.06419	0.4
105.06994	2.2
107.04942	0.7
107.08592	3.8
108.02068	2.8
108.95889	0.4
109.02864	0.9
109.06503	0.5
109.10138	0.9
110.03638	2.1
111.04418	3.2
111.08082	0.5
111.98480	3.8
112.01547	0.4
113.08241	6.1
113.96376	0.6
114.06693	0.5
115.05376	0.4
119.04926	2.0
119.08559	1.0
121.10133	0.7
123.04427	1.0
123.08068	1.3
123.11691	0.5
125.05976	14.2
127.03959	0.6
129.99512	3.4
131.97432	0.6
132.95802	6.2
133.10115	3.8
135.04330	0.4
135.08060	0.5
135.11659	2.0
137.05952	2.0
137.08183	1.7
137.09665	0.7
139.08580	0.4
141.05441	5.0
141.06566	0.4
141.06990	0.6
149.05945	3.3
149.97205	0.9
150.95624	0.7
150.96867	16.1
151.03886	100.0
151.04955	7.0
151.07454	4.3
151.11217	1.1
151.97070	0.5
152.04210	1.8
154.07764	0.4
155.09378	2.5
155.97408	4.4
156.29227	0.4
160.48656	0.4
160.93274	0.4
161.09628	1.4
161.13266	0.6
163.03905	0.5
168.97929	0.9
169.10080	0.6
173.98468	9.0
179.05470	0.7
179.07007	18.5
179.09245	1.1
179.10587	4.2
179.14307	1.4
197.00127	1.0
197.06097	1.2
197.08076	5.0
197.10040	1.0
197.11739	2.9
197.13232	0.6
197.15457	0.6
198.18480	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	197.1169
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03925	1.6
54.55864	0.5
55.01858	8.7
55.05502	11.7
56.05025	0.6
57.03406	1.0
57.07056	1.3
58.70784	0.6
67.05500	2.9
69.03403	2.9
69.07032	1.9
70.06570	0.9
70.95863	6.4
71.04960	1.9
72.65549	0.6
72.93780	4.8
79.05477	6.9
81.03390	0.8
81.07044	25.7
83.04952	1.4
83.08595	1.1
88.96890	2.3
90.94811	1.0
91.05444	4.4
93.07023	4.4
95.04935	2.7
95.08575	2.4
97.06519	4.5
98.21568	1.1
99.04440	7.0
105.03388	3.2
105.07018	6.1
107.04924	0.8
107.08565	8.4
109.06495	13.7
109.10144	3.6
111.04433	3.6
111.08008	1.1
111.98472	4.9
113.08234	2.2
113.96401	0.8
114.94771	0.6
119.08565	2.3
121.06496	1.4
121.10159	0.8
123.04436	0.8
123.08023	2.0
123.11657	1.2
125.05972	43.6
125.09586	0.9
127.03891	16.6
128.06194	1.6
129.99496	2.7
131.08571	0.9
132.95811	7.7
133.10107	11.3
135.11668	3.5
137.05952	100.0
137.09572	6.8
138.06361	2.0
143.08517	4.2
150.96866	16.3
151.03867	2.4
151.07477	0.8
151.11150	2.0
155.09258	1.9
155.97366	5.6
161.09604	9.6
173.98474	11.2
179.03540	0.8
179.10641	13.5
182.10855	0.7
197.05934	1.4
197.09993	1.3
197.11681	8.8
198.18503	18.2
198.20332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.62194	0.6
55.01857	1.3
55.05499	2.3
59.04984	0.8
61.02907	1.3
64.17139	0.6
65.03925	1.0
67.05490	3.0
69.03419	2.7
69.07017	0.7
69.44458	1.5
69.44880	4.8
70.09209	0.6
72.93748	0.8
73.02905	2.0
75.08073	0.6
79.05479	7.5
81.07038	8.4
83.04987	0.7
91.05461	16.5
93.07029	20.8
95.04936	2.3
95.08607	3.9
97.06493	1.9
105.07012	32.5
106.07337	0.7
107.08575	100.0
108.08930	1.5
109.06477	5.0
109.10124	4.8
112.37962	0.6
115.05448	1.0
117.07000	1.1
118.07749	0.8
118.78510	0.7
119.04895	1.6
119.06069	0.9
119.08557	15.4
120.08903	0.7
121.06477	2.8
121.10118	16.6
123.08060	1.4
123.11707	3.6
123.18523	0.6
125.05949	2.5
125.06801	0.6
125.09569	1.1
128.06165	1.2
131.08504	3.0
133.10107	60.0
134.10419	1.1
135.11678	2.2
137.05977	4.6
137.09569	2.5
139.07497	4.0
143.08495	2.2
146.07269	1.6
149.09596	10.0
150.96843	1.2
151.07512	2.4
151.11150	21.1
161.09595	16.6
167.10649	26.5
173.98488	1.1
179.10641	38.3
180.10982	1.3
197.11699	46.2
198.12077	1.2
198.18532	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	197.1169
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.72498	0.5
53.03941	1.0
55.01859	1.0
55.05499	3.0
57.03421	0.7
57.07054	1.4
59.04994	1.2
61.02910	1.5
65.03945	0.8
67.05489	3.8
68.99830	0.5
69.03422	1.4
69.07056	1.8
70.01896	2.5
70.95860	1.6
71.04976	0.9
71.08618	0.6
72.93776	1.1
73.02911	1.2
74.41338	0.5
79.05481	7.4
81.07043	8.6
83.04959	1.0
83.08591	0.7
85.06541	0.7
91.05467	13.6
93.07034	18.7
95.04937	2.6
95.08583	5.5
97.06515	1.8
103.05430	0.7
105.07018	29.1
106.07323	0.5
107.04948	0.9
107.08578	100.0
108.08918	1.9
109.06503	4.6
109.10141	5.5
111.04534	0.5
111.08060	1.0
111.98476	1.4
113.08198	1.0
113.96367	0.7
117.06989	1.4
119.04920	2.0
119.06126	0.8
119.08562	14.3
121.06486	2.0
121.10129	17.1
123.04436	1.0
123.08068	2.8
123.11671	3.4
125.06027	0.6
125.09615	1.6
128.06195	0.9
129.99498	1.1
131.08553	3.3
132.05751	0.6
132.95822	2.4
133.06476	2.0
133.10112	56.2
134.10452	1.6
135.08003	0.8
135.11710	3.6
137.05968	2.6
137.09560	2.9
139.07526	3.3
141.06996	0.6
143.08545	3.1
145.06421	0.5
146.07234	1.7
149.09592	11.2
150.96870	4.9
151.03908	1.2
151.07564	3.0
151.11160	17.0
152.48663	0.5
155.10551	0.8
155.97397	1.7
161.09596	15.5
167.10660	25.7
168.11044	0.6
173.98456	3.3
179.07043	1.0
179.10646	35.5
180.10944	1.1
182.10971	0.7
197.11702	43.7
197.13174	1.9
198.12053	1.1
198.18497	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	197.1534
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03937	2.2
54.01472	1.3
55.01853	3.0
55.05504	24.0
57.03422	3.7
57.07060	4.7
61.39781	1.4
67.05495	32.4
67.43654	1.2
69.03422	2.8
69.07060	26.9
70.77969	3.9
70.95863	1.9
71.04989	14.0
78.42016	1.3
79.05481	19.9
81.07043	77.5
83.04934	6.7
83.08604	20.6
85.06533	15.7
86.17639	1.3
87.04453	1.7
91.05463	23.2
93.07030	26.0
93.28931	1.3
95.04993	1.9
95.08591	100.0
96.08954	1.7
97.06513	32.3
97.10168	7.6
99.08100	5.1
105.07009	28.6
107.08578	12.8
109.06503	5.4
109.10128	7.8
111.08047	6.3
117.07002	2.2
118.07047	1.1
119.08566	40.5
121.10146	10.4
123.08062	6.8
127.07578	2.6
132.95810	3.3
133.10114	26.8
135.11662	24.2
137.09579	1.7
137.13237	24.4
142.29605	1.3
150.96909	6.7
151.11209	1.4
155.08430	1.6
161.13234	60.5
162.13419	1.6
166.53020	1.3
173.98448	3.7
179.10692	3.9
179.14276	28.4
179.15741	2.5
195.35077	1.4
197.09827	1.5
197.11757	5.4
197.15329	11.5
198.18494	22.7
218.49658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1326
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01855	2.2
55.05502	20.6
57.03429	1.6
57.07070	12.0
57.93557	1.6
62.01917	1.4
67.05481	4.2
69.03436	1.6
69.07052	4.7
69.35316	16.3
70.07404	1.5
72.04494	2.4
74.09704	13.1
78.01324	1.2
79.05461	4.0
81.07034	4.8
83.04954	7.7
83.08597	4.8
85.06527	5.5
88.99315	1.3
89.08202	1.4
90.17538	1.3
91.05442	2.8
93.07027	9.8
95.04938	3.0
95.08584	10.5
97.06519	4.4
97.10152	1.8
98.97535	1.4
100.07600	4.7
101.32529	1.2
104.47894	1.6
105.07006	3.4
107.04935	1.8
107.08580	17.3
109.06505	5.0
109.10146	1.9
111.04427	100.0
111.08051	3.7
112.04781	2.4
113.06015	2.0
116.97208	9.8
119.08611	1.4
121.06475	2.8
121.10106	1.7
121.61860	1.2
125.05970	23.9
127.07549	3.0
129.07076	1.7
131.99532	2.9
133.50891	1.3
134.99663	1.4
135.08038	13.0
135.11676	18.9
139.07500	2.6
143.08595	2.3
145.10104	14.6
146.54671	1.3
152.96960	2.4
153.09070	1.5
153.12709	3.9
157.10135	3.6
163.11147	17.7
171.11679	1.6
175.98514	7.6
181.12190	23.4
199.07549	2.1
199.11150	3.1
199.14874	4.8
199.18863	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68268	1.1
56.04989	1.3
56.96555	31.9
57.03420	3.5
61.02920	1.3
63.76738	1.1
69.03405	2.2
70.25824	4.6
70.98111	2.7
71.95249	3.5
73.02909	1.7
74.09644	1.2
84.04503	1.9
84.08138	3.0
84.18245	1.3
84.96035	2.1
85.02896	2.8
89.38995	1.1
97.02845	2.5
98.97566	100.0
99.97898	1.2
101.00772	1.4
106.02819	1.6
110.01240	1.4
110.97543	1.7
116.98603	84.5
117.98944	1.8
119.01878	6.2
120.02089	1.7
128.02322	1.5
128.98567	2.9
131.01859	2.0
133.03441	2.8
134.99638	55.0
136.06223	1.7
137.02971	1.8
137.07980	1.4
140.00206	3.3
140.98602	1.4
143.00134	1.9
146.02386	1.8
146.99631	3.9
152.02312	1.3
153.00685	8.3
158.01210	4.9
158.99612	1.7
159.05066	1.7
176.02415	1.6
177.00710	5.4
177.02319	3.1
182.04495	1.8
182.08044	1.5
183.06480	1.5
183.08421	3.2
185.01300	1.4
186.96774	1.2
191.03920	2.0
194.23169	1.4
195.01744	2.8
199.18773	2.0
200.04066	3.9
201.00670	1.9
218.05254	1.3
219.01785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	7.4
56.05256	1.2
56.96565	20.0
56.96826	2.7
70.36502	2.4
70.36909	4.2
71.95223	2.1
98.97572	88.4
99.97877	1.5
116.98605	100.0
118.03501	3.0
119.01923	9.0
119.03626	1.4
126.22214	1.4
130.03465	2.6
134.02942	5.3
134.99644	72.1
135.03079	4.2
136.04480	2.4
137.02939	5.4
140.00208	2.1
142.03448	1.7
153.00690	12.5
158.01280	7.9
158.02959	5.5
158.04729	1.9
160.04495	2.6
174.06111	2.7
176.02322	4.0
176.04039	11.0
176.05643	2.4
177.00800	5.7
177.03909	2.5
179.81013	1.3
195.01683	2.8
197.42587	1.4
199.18806	4.9
200.02289	1.7
200.03981	1.7
200.19012	1.3
218.05084	2.7
219.01686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0915
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03934	2.1
55.01859	1.4
55.05484	2.9
56.05014	3.3
56.96562	10.6
57.03408	2.9
65.03934	1.5
67.05512	6.7
68.05017	1.6
68.99755	1.0
69.03421	10.7
69.07053	9.6
70.06555	3.6
71.19695	1.9
72.08125	1.4
73.02886	1.7
74.09708	1.3
79.05475	2.8
80.04993	4.2
81.03391	1.9
81.07048	6.0
82.02905	1.1
82.06568	3.0
83.04942	1.9
83.06056	1.5
84.04469	1.7
84.08120	5.2
85.02872	3.9
86.09654	1.8
91.05455	10.3
93.05743	4.2
93.07034	7.0
94.06553	28.9
95.04977	6.2
95.06036	1.3
96.04408	1.7
97.02846	4.4
97.06508	2.6
98.06027	1.9
98.97565	14.9
99.04415	1.2
108.04444	2.5
108.08096	30.1
109.06548	5.3
110.06024	19.7
111.04426	2.2
111.08049	2.5
112.03918	4.9
112.07601	5.2
113.05997	1.4
115.02309	1.6
116.98595	16.0
117.05717	2.2
118.06543	2.7
118.96736	3.0
119.01809	3.1
119.04925	2.4
120.08064	3.0
121.06486	3.5
122.06014	77.0
122.34546	1.1
123.04344	2.6
123.06743	3.3
124.07624	5.8
127.03792	1.6
128.98618	2.0
133.98953	1.5
134.05995	2.8
134.87964	1.3
134.99631	18.9
136.07556	80.0
137.05966	5.8
137.07939	2.3
138.09119	4.8
139.07489	4.7
139.21977	1.1
140.07043	100.0
141.07408	1.3
145.06494	1.5
146.99625	1.9
149.03586	1.4
152.90410	1.1
153.00662	3.9
154.04939	1.8
154.08607	68.5
158.01242	1.6
164.07053	15.3
165.05457	2.5
177.00641	3.3
177.97969	1.4
182.08110	76.5
183.06386	1.2
183.08398	4.5
186.03609	2.7
200.09140	83.2
200.19110	3.5
201.09328	2.0
211.02940	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	201.1117
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
55.01854	5.3
55.05499	6.0
56.96558	7.7
57.03421	4.0
61.02883	1.5
64.33569	1.5
66.95761	1.6
67.05496	38.1
69.03413	7.4
69.07047	6.0
70.10580	9.0
71.04968	5.0
71.42386	1.6
73.02876	1.8
79.05469	6.5
81.03419	2.2
81.07043	33.7
84.98654	1.7
85.02885	4.5
85.06521	2.6
91.05470	6.1
93.07030	5.9
95.04926	3.8
95.08585	16.8
97.02871	3.3
97.06531	3.2
98.97565	4.9
99.04436	5.6
99.08071	3.7
105.07013	5.4
107.08587	6.5
109.06495	3.4
109.10142	94.9
110.10500	1.8
113.05989	2.6
116.98637	1.8
117.06981	4.1
119.01826	3.2
119.08547	9.4
121.10138	4.2
123.11662	1.7
125.05957	13.7
127.03870	2.7
128.02298	5.1
128.06201	2.8
128.98561	1.8
131.08524	8.7
131.25734	1.5
133.10147	2.0
137.09598	100.0
143.08551	4.9
145.10077	10.5
155.08618	2.5
155.10652	23.7
157.10117	3.6
159.08014	2.4
159.11674	9.9
164.48708	1.8
165.09074	22.1
173.13185	2.8
183.10138	6.5
183.11620	2.1
186.10405	2.1
196.89401	1.8
201.05518	4.1
201.09097	3.8
201.11041	2.3
201.12686	9.0
201.16389	12.4
213.07957	2.6
217.96613	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22903	2.0
50.39771	2.3
56.05029	9.1
56.96563	18.3
60.95843	2.8
68.34588	1.7
71.45659	4.2
71.46035	2.0
80.04970	2.0
81.00238	1.9
84.04514	2.9
97.99158	5.6
98.06090	1.9
98.97572	14.0
100.02500	3.6
101.00861	12.7
101.94996	4.1
102.00971	2.2
102.97866	2.2
103.00607	2.5
113.10725	1.8
116.00216	9.8
116.98620	11.5
118.03510	10.7
118.98240	3.3
119.01909	100.0
119.96072	2.9
120.02015	11.2
120.97897	2.8
121.01648	7.8
130.03577	2.6
132.03246	2.7
132.96703	5.9
134.01237	9.6
134.02942	2.0
134.04793	2.4
134.99675	16.4
136.02734	3.6
136.04536	8.5
137.02957	57.2
137.03961	3.0
137.97121	4.2
138.03065	7.1
139.02718	3.6
142.03499	36.1
143.03746	2.5
148.82115	2.1
152.02309	3.2
153.00652	3.7
160.02747	4.1
160.04550	38.3
161.02936	17.2
161.04210	11.6
161.08130	2.1
165.04980	2.3
175.04094	2.1
177.05505	2.1
178.00133	2.6
178.03842	10.9
178.05632	13.9
179.03981	30.5
179.05354	7.9
179.99200	2.4
183.06165	2.8
184.04523	3.9
184.06181	2.1
192.47058	2.0
198.00098	2.5
202.05397	7.0
202.07164	3.6
202.10736	4.1
220.02077	7.7
221.01614	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.03445	1.0
53.03936	2.1
55.01856	1.6
55.05270	1.2
55.05502	14.7
56.94632	1.0
57.03418	1.2
57.07048	2.3
60.04515	9.5
67.05144	2.2
67.05492	39.4
68.05004	3.7
69.07051	26.4
70.33484	4.5
79.05469	14.4
81.07042	53.6
83.08601	7.4
84.04487	12.2
85.02885	2.7
91.05462	21.7
93.07035	22.5
95.04924	2.6
95.08588	81.3
96.04469	7.5
96.08913	1.6
96.70678	0.9
97.02869	8.7
97.10148	1.5
98.06056	1.4
99.04420	1.0
103.05451	1.8
105.07012	78.4
106.07339	1.2
107.08576	33.0
109.06451	1.2
109.10135	90.0
110.06004	1.5
110.92664	1.0
114.05488	4.5
115.05396	1.3
117.06988	4.6
119.08559	72.9
120.08869	2.2
121.06522	1.9
121.10121	26.7
123.11694	11.3
126.05486	11.8
128.06198	1.9
129.06964	3.1
131.08559	6.0
133.04901	1.9
133.06482	2.9
133.10103	49.8
135.11678	8.7
138.05437	2.1
142.07762	2.5
143.08505	1.9
144.06578	1.8
145.10075	10.4
146.10851	1.2
147.04495	1.2
147.08029	2.5
147.11659	87.0
148.12231	1.6
157.10089	3.0
159.11684	3.7
160.12418	4.3
161.09619	2.6
161.13228	27.6
165.44299	1.0
168.06462	1.5
175.07588	1.5
175.14789	9.2
185.13228	1.7
186.07538	1.4
197.82599	1.0
203.03329	1.9
203.06989	3.8
203.08980	1.0
203.10617	4.6
203.14270	7.6
203.17920	100.0
204.06908	1.5
204.08591	6.2
204.13802	4.9
204.18306	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	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03925	2.4
55.05277	1.1
55.05507	13.9
55.38762	1.0
57.07066	8.9
58.06601	1.4
58.07393	1.9
59.04106	1.0
60.04514	13.0
62.06072	4.6
65.03906	2.2
67.05495	30.4
68.05010	4.6
69.07056	21.2
70.25381	3.8
71.08601	2.2
79.05488	11.7
81.03406	1.3
81.07045	63.7
82.07355	1.6
83.04935	1.9
83.08611	8.1
83.99238	1.0
84.04494	11.1
85.02888	2.8
86.10484	1.3
91.05461	20.3
93.07030	20.0
95.04948	2.2
95.08588	66.5
96.04490	9.2
97.02866	8.2
97.10147	1.2
98.06018	1.2
98.21338	2.0
98.79548	1.0
99.04320	1.0
103.05489	1.2
104.85006	0.9
105.07013	75.6
107.04974	1.0
107.08578	30.0
109.10139	68.4
110.06003	1.9
110.10445	1.0
111.04454	1.1
114.05517	9.6
116.99331	1.1
117.06996	4.6
117.47038	1.0
119.04918	1.2
119.08563	63.3
121.06481	1.5
121.10130	20.4
123.11690	7.5
126.05486	14.7
127.03860	1.5
129.06976	3.4
130.07913	1.1
131.08528	5.0
133.06447	2.4
133.10109	51.5
135.11662	8.9
138.05479	1.8
140.29794	1.1
142.07770	2.6
143.08542	2.3
144.06517	2.7
145.10107	12.7
147.08040	3.0
147.11662	87.9
148.12059	1.9
156.06523	2.1
157.10115	5.4
159.11702	5.8
160.01115	1.1
160.12434	5.3
161.06015	1.2
161.09605	2.8
161.13248	26.4
168.06462	1.7
170.10881	1.7
174.14012	1.4
175.07597	2.1
175.14799	9.0
185.13196	1.9
185.20877	3.8
186.07590	2.2
188.08298	2.2
203.03419	1.7
203.05325	1.7
203.07005	2.8
203.10587	7.4
203.14450	8.7
203.17929	100.0
203.21962	45.7
204.08672	7.2
204.13783	7.6
204.18185	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.3
55.01853	0.3
55.05480	0.4
56.04993	0.8
57.03386	0.5
57.07041	0.3
57.76660	0.2
60.04513	7.7
61.02888	0.8
65.03899	0.5
68.05016	2.7
69.03374	0.8
71.69862	0.4
72.04465	0.4
79.05461	0.5
81.03368	0.7
81.07014	0.5
83.01269	0.4
84.04485	4.2
85.02874	1.9
87.00683	1.3
88.98586	0.3
89.03886	2.0
91.05429	0.8
93.06993	0.3
95.04914	0.2
95.08559	0.4
96.03957	0.3
96.04478	4.4
97.02332	0.4
97.02879	4.9
98.05993	0.9
99.04396	0.7
100.03926	0.3
105.06969	0.5
107.08533	0.8
109.02888	0.6
110.05994	1.2
114.05496	4.0
115.03784	0.4
115.05405	0.7
116.04959	4.7
117.06983	0.8
119.08548	0.9
121.06495	0.6
121.10101	0.6
126.05489	5.2
127.03928	0.6
131.04900	0.3
131.08521	0.5
133.10066	0.4
134.05980	0.8
135.11618	0.3
138.05464	1.2
142.15898	0.4
144.04414	2.4
144.06511	1.1
145.05017	0.5
145.06432	1.0
145.10027	0.6
146.05927	0.4
148.07568	0.4
148.08719	0.3
149.02322	1.7
149.05930	0.3
156.06505	0.4
159.08031	0.4
159.11658	1.0
162.05469	100.0
163.05843	2.1
163.11154	0.5
168.06508	1.0
172.03906	5.3
173.05951	0.6
177.05435	0.4
177.12727	0.4
185.07225	0.3
186.07623	0.6
187.11133	0.3
188.10634	0.4
189.11458	0.7
190.04951	14.8
191.05309	0.4
204.06558	30.0
204.08607	4.6
204.13799	4.1
205.06845	0.8
205.12250	0.8
207.63173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02380	0.6
53.03942	4.2
55.01858	1.1
55.05507	0.9
57.07063	1.7
60.04507	1.0
62.01606	0.4
65.03930	1.0
67.05492	1.3
67.62238	0.3
69.03421	2.1
69.07052	0.8
69.32103	0.4
71.20255	1.0
71.64433	0.3
75.22400	0.4
77.03903	1.0
79.05467	1.1
81.03412	0.9
81.07044	0.5
83.04954	1.3
84.04495	0.5
85.02894	1.4
85.06537	0.8
91.05468	19.5
93.07031	60.3
94.07352	0.8
95.04953	10.0
95.08578	0.8
97.02868	1.7
97.06505	0.4
99.04470	0.5
103.05450	4.1
105.04493	1.6
105.07018	3.4
107.08585	1.4
109.02856	0.6
109.06490	0.8
109.10150	0.4
115.05434	0.7
117.07004	1.9
119.08544	2.7
120.08023	0.4
121.02849	1.6
121.06488	100.0
122.06835	1.6
123.04430	0.7
127.03883	0.5
128.06230	1.0
129.06992	0.5
130.07761	0.5
131.04916	1.0
131.08540	2.5
133.10126	0.9
135.04504	0.4
135.08040	1.7
135.11668	0.8
141.06995	0.7
143.08536	1.0
144.09349	0.9
144.13171	0.5
145.02765	0.4
145.06488	0.6
145.10107	3.4
146.06020	0.9
147.04382	0.6
147.08005	1.2
149.02322	9.9
149.05969	1.1
149.09627	1.0
149.13208	0.5
159.08025	1.6
159.11664	4.6
161.05919	0.5
161.09589	1.6
163.03860	1.0
163.11127	2.1
172.08754	0.7
177.05487	0.8
177.09077	0.5
177.12758	2.2
187.03766	0.6
187.11136	1.5
188.07094	0.5
205.04945	1.1
205.08647	1.1
205.12215	14.8
205.14066	0.5
206.08093	1.5
206.12349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02364	0.6
52.15384	0.3
53.03940	3.2
54.32700	0.3
55.01857	1.0
55.05490	0.5
57.03420	0.3
57.07064	1.7
60.04510	0.9
65.03932	0.8
67.05484	0.9
69.03413	1.8
69.07047	0.7
69.78975	0.3
71.68694	0.5
77.03917	1.0
79.05482	1.5
81.00294	0.3
81.03402	1.0
81.07047	1.0
83.04975	1.3
85.02905	0.8
85.06517	0.6
91.05468	18.0
93.07029	57.3
94.07358	1.0
95.04955	8.1
95.08588	0.5
97.02864	1.8
97.06525	0.4
98.03204	0.3
99.04453	0.3
103.05452	3.3
105.04510	1.2
105.07010	2.9
107.04928	0.5
107.08564	1.8
109.02859	0.8
109.06512	1.0
109.10105	0.4
115.05372	0.4
117.07006	2.2
118.06505	0.3
119.08580	2.5
120.08104	0.5
121.02851	1.3
121.06486	100.0
121.10136	1.0
122.06827	2.1
123.04366	0.7
123.08041	0.3
127.05823	0.4
127.07515	0.4
128.06181	0.4
129.06995	0.8
130.07806	0.7
131.04861	0.5
131.08539	2.5
133.06474	0.4
133.10110	0.8
134.09622	0.3
135.04428	0.4
135.08040	1.4
135.11649	1.5
141.06935	0.3
143.04994	0.4
143.08543	0.9
144.09282	0.9
145.06462	1.1
145.10106	2.7
146.06026	0.8
147.08015	1.2
149.02313	8.2
149.05984	1.1
149.09608	0.4
149.13232	0.4
157.10170	0.5
159.04408	0.3
159.08037	1.1
159.11681	4.4
161.05907	0.6
161.09599	1.4
163.03864	0.7
163.07475	0.4
163.11118	1.7
172.08818	0.7
175.11179	0.6
177.05447	0.4
177.12669	1.4
187.03880	0.7
187.07610	0.5
187.11124	1.5
188.06981	0.6
205.04883	0.9
205.08900	0.8
205.12212	12.3
206.08035	2.3
206.11783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
52.32751	0.7
53.03931	1.3
54.67268	0.7
55.01847	1.5
55.05504	5.1
57.03406	0.8
57.07069	6.0
60.04506	2.3
60.06110	0.7
61.02918	1.4
65.03936	4.0
67.05486	4.5
68.04999	0.8
69.03429	5.0
69.05378	0.8
69.07043	4.1
71.04965	1.5
71.70243	1.2
79.05475	5.4
81.03397	3.5
81.07050	6.0
83.01321	2.7
83.04948	1.9
83.08581	1.9
84.04498	2.2
85.02896	4.8
85.04818	1.8
85.06517	0.9
91.05477	7.3
93.03366	1.6
93.07032	10.3
95.04942	3.1
95.08591	6.7
96.04469	1.0
97.02888	10.6
97.04810	1.0
97.10178	1.2
98.03198	2.0
99.04436	3.0
103.05441	1.1
105.07013	10.8
107.04920	1.2
107.08567	10.1
109.02862	4.4
109.06487	1.3
109.10121	5.0
111.04422	9.8
115.05443	2.5
117.06993	5.4
119.08570	6.1
121.02856	6.7
121.06474	7.9
121.10116	9.5
123.04402	0.8
123.08044	1.7
123.11678	2.8
127.03889	2.4
127.05827	3.1
128.06200	1.3
129.06975	3.1
130.07719	1.5
131.04919	1.9
131.08546	9.1
133.10147	4.7
135.04349	1.5
135.08037	22.9
135.11668	6.1
137.05917	1.6
141.06984	1.0
143.08528	0.9
144.09328	3.3
145.06479	5.5
145.10124	10.5
146.05988	1.2
147.08034	2.6
147.11656	2.7
149.02316	49.9
149.05945	3.1
149.09604	5.7
149.13251	5.7
150.02679	1.5
151.07501	2.9
157.06485	1.5
158.96297	1.1
159.08040	7.7
159.11678	13.9
161.05934	5.7
161.09596	3.0
161.13248	2.2
162.10339	1.4
163.03860	1.7
163.07523	6.7
163.11163	5.9
163.14751	1.3
167.03386	1.1
169.10178	1.8
172.08815	6.6
173.05914	1.4
175.07549	12.5
176.08270	6.7
177.05415	1.0
177.09096	13.6
177.12743	7.4
184.44812	0.8
187.07602	2.0
187.11137	11.5
187.14737	2.0
188.07036	1.1
190.06250	1.0
190.09869	20.5
190.11613	1.6
191.14235	0.9
205.04948	4.5
205.08736	7.7
205.12216	100.0
205.13934	3.6
205.15857	6.1
205.19467	3.2
206.12521	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	205.1948
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
52.79945	0.8
53.03919	1.6
54.84636	0.8
55.05502	10.8
57.07065	15.7
59.97719	1.2
60.04499	2.0
65.03920	8.5
67.05498	9.8
68.05003	0.8
69.03416	2.9
69.07056	17.8
70.02468	1.7
70.02877	3.7
79.05479	10.1
81.03397	3.1
81.07043	37.5
83.08601	8.5
84.04486	2.8
85.02887	2.8
85.04846	1.8
91.05461	6.8
93.03395	2.9
93.07029	37.4
95.04944	2.7
95.08585	28.1
96.04501	1.7
97.02878	10.6
97.04791	2.0
97.10135	4.6
97.45136	0.9
98.03197	1.4
99.04439	1.4
103.05449	1.4
105.07039	6.4
107.08573	33.3
107.19016	0.8
109.02859	5.6
109.06467	0.9
109.10141	27.1
110.32085	1.0
111.04427	1.4
111.11693	2.8
114.05450	1.0
119.08553	3.2
121.02840	13.6
121.03966	1.7
121.06481	2.7
121.10122	63.9
123.08090	1.4
123.11689	12.1
126.05485	1.3
127.03887	1.2
127.05850	3.2
131.08569	1.3
133.10124	1.4
135.11673	22.8
135.12651	1.9
137.13232	1.0
145.10054	2.6
149.02315	100.0
149.13229	41.5
150.02661	3.4
150.13576	1.2
159.08011	2.8
159.11668	1.9
163.14789	5.4
167.03368	2.1
187.11128	1.2
190.04991	2.2
199.93320	1.0
205.04991	2.3
205.08841	3.6
205.12218	3.6
205.14154	4.8
205.15698	1.4
205.19484	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	206.0445
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
51.02380	0.3
55.01844	0.3
55.05494	0.3
56.05008	0.4
56.96553	2.4
58.06586	0.2
60.04514	0.5
65.03951	0.3
67.05499	0.5
67.92677	0.2
68.05008	0.2
68.99810	0.3
69.03417	0.4
69.07050	0.3
70.05115	1.2
70.06571	0.7
73.02879	0.2
73.70868	0.2
79.05466	0.5
81.03419	0.4
83.06083	0.3
84.04484	0.4
84.08130	0.6
85.02904	0.6
86.09693	0.8
89.03895	0.5
91.05465	1.5
95.04955	0.6
95.06067	0.5
96.04485	0.3
97.02876	0.7
98.03236	0.3
98.09689	0.5
98.21357	0.3
98.97580	0.6
104.04955	0.6
105.03353	1.6
105.07001	0.6
107.04928	0.3
109.06496	0.3
109.07621	0.3
110.05997	0.3
110.07149	0.2
111.04391	0.4
114.05540	0.2
115.10683	0.2
116.98612	0.7
117.03355	0.4
119.01861	0.5
119.04921	0.8
119.08534	0.3
121.06599	0.3
121.97546	0.3
122.06010	0.3
122.07107	0.3
123.04415	0.7
132.04434	2.6
133.02859	0.8
134.06012	0.4
134.99625	0.5
135.04385	1.0
137.09584	0.3
139.03891	0.4
143.00079	0.6
143.04993	0.3
144.10211	0.9
146.05917	0.3
147.04396	1.1
148.08658	0.5
149.01259	0.4
149.02342	1.1
149.09537	0.4
150.02647	1.6
150.05460	2.9
150.10201	0.3
151.03899	1.1
160.03955	0.3
160.07500	0.4
160.09554	0.4
161.01173	1.4
161.05940	0.8
163.03882	2.7
164.07004	0.3
173.01123	0.3
175.03899	0.7
178.04964	100.0
179.02150	0.3
179.05351	2.3
183.97571	0.4
185.01205	0.5
188.07079	0.3
189.05414	0.5
191.14267	0.9
201.00650	1.2
206.04453	37.0
206.08049	1.7
206.11816	1.4
206.13661	0.4
206.15512	0.4
207.04713	0.6
207.06526	0.6
224.02179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0445
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.96556	1.1
57.07080	0.9
60.04514	0.7
68.05007	0.9
69.03416	1.3
69.71858	3.7
70.06598	0.7
74.07499	0.5
77.03947	0.5
79.05514	0.5
80.14030	0.6
81.03406	0.7
81.07049	0.6
83.06106	0.5
84.08143	0.7
86.09689	0.8
91.05477	3.0
91.58363	0.5
95.04947	1.4
97.02879	0.9
98.97583	0.6
101.94474	0.5
103.05505	0.5
104.04979	5.1
105.03405	0.6
105.07026	1.6
107.04925	0.6
109.07674	0.7
110.06011	0.6
117.07013	0.9
118.06560	0.5
119.04928	2.1
119.08556	0.5
121.02888	0.5
121.07561	0.5
123.04446	0.6
126.05499	0.5
132.04424	27.3
133.04747	0.7
135.04370	0.7
144.04436	2.0
146.06006	0.9
147.04399	2.1
147.06398	0.5
147.08043	0.5
148.08633	0.8
149.02339	1.6
149.09633	0.6
150.02635	3.1
150.05466	1.3
151.03899	1.9
159.08029	0.5
160.03920	2.1
160.07474	0.6
160.12140	0.5
161.05968	1.1
161.09470	0.7
162.05496	2.0
163.03882	1.2
164.04785	0.4
168.18381	0.5
175.03882	1.9
177.07825	1.0
178.04962	100.0
179.05367	2.9
179.06792	0.8
188.07056	1.0
189.07544	0.8
189.11296	0.9
191.14301	1.4
201.00699	0.5
202.73814	0.5
206.04446	62.4
206.08133	2.5
206.11780	3.1
207.03011	0.5
207.04779	1.4
207.06586	1.5
207.13908	0.8
229.23152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	91.3
70.14294	9.3
70.14700	9.1
72.94279	3.8
75.60026	3.3
92.19487	3.3
98.97562	90.1
100.99128	35.2
116.98601	100.0
119.00150	25.3
119.01949	4.5
129.21355	3.4
134.99638	74.5
135.00612	7.1
137.01178	8.0
140.00215	7.0
143.00171	21.0
146.99675	9.0
153.00661	10.8
153.99504	3.8
161.01189	41.0
161.02908	5.1
165.00714	32.4
177.19952	4.0
179.02197	9.9
182.98212	4.6
183.01762	33.8
183.09261	3.7
184.04471	4.1
185.02896	4.4
189.00713	5.1
195.00717	3.4
207.01749	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	207.0649
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02367	1.1
55.05505	1.3
62.57661	0.7
63.02376	0.8
64.03141	0.8
65.03922	8.1
67.05503	2.5
69.03413	5.7
70.33073	3.5
76.03169	1.0
77.03922	2.6
78.04723	0.8
79.05476	2.5
80.06244	1.4
81.07041	1.1
89.03895	4.6
90.04673	1.4
91.05463	98.4
92.05795	1.1
93.07025	2.2
95.04928	2.1
95.08604	4.4
97.06511	0.9
100.65083	0.8
101.03865	0.8
103.05427	2.4
104.02589	2.2
105.03358	1.0
105.07017	3.6
107.04925	1.8
107.08575	2.5
108.05721	1.0
109.06518	1.5
111.08043	1.4
117.03355	1.4
118.04134	5.8
119.04920	100.0
119.08559	4.7
120.05251	1.4
120.08168	0.7
121.02839	3.6
121.06521	1.8
121.08421	0.9
121.10145	2.0
123.08051	3.6
125.42166	0.6
129.03384	1.3
131.04884	0.9
132.02043	8.1
133.02834	1.6
133.10132	2.3
135.04411	3.4
135.11670	1.0
136.05179	3.3
137.05923	1.1
137.09544	1.0
145.02829	2.3
145.10107	1.3
146.03610	4.3
147.04382	78.6
147.11664	2.6
148.04704	1.7
149.02313	9.5
149.09599	2.0
150.03128	1.3
157.03931	6.2
160.01456	1.2
161.09561	1.2
161.13228	7.5
162.03049	1.1
163.11137	5.0
164.04681	4.7
165.12723	0.9
171.11624	1.1
174.03146	4.9
175.03874	85.2
176.04341	1.7
177.01755	1.4
178.02531	0.8
179.06995	8.4
189.12654	5.4
192.04140	12.6
207.06491	36.7
207.13768	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02366	0.9
53.03938	6.4
55.01847	0.9
55.05503	4.9
57.07059	1.1
57.63544	0.7
62.60709	0.6
65.03928	1.8
67.05497	21.9
69.03408	0.6
69.07052	5.0
69.97543	3.8
71.04980	2.3
73.06538	1.2
77.03894	0.8
79.05481	39.6
80.05785	0.7
81.03396	1.9
81.07043	19.6
83.04969	1.8
83.08602	2.6
85.02903	0.9
85.06535	2.7
91.05467	50.7
93.07029	100.0
94.07362	2.1
95.04951	15.5
95.08594	6.4
97.06518	1.3
97.10078	0.7
98.21369	0.7
99.04427	0.6
103.05457	1.2
105.04539	3.4
105.07012	27.4
105.07726	1.3
107.04922	0.8
107.08569	8.0
109.06486	4.6
111.08068	1.2
115.05446	0.8
115.96436	1.1
117.07005	4.9
119.04956	1.5
119.08562	15.5
121.06507	2.1
121.10137	2.2
121.37086	0.6
123.08036	4.5
123.11699	1.0
127.07549	0.9
128.06235	0.9
129.06987	7.6
131.04906	0.9
131.08551	1.8
133.06522	1.5
133.10112	6.7
135.11610	1.0
137.05952	0.6
143.08530	5.0
145.10107	8.3
147.04471	1.1
147.08037	2.4
147.11664	53.0
148.12045	0.7
149.09583	1.7
151.07558	1.5
156.09378	0.6
161.09561	3.9
161.13239	8.2
165.12714	1.1
171.11667	16.4
171.13054	1.2
172.12073	0.9
175.03918	0.6
179.06990	0.9
189.05537	0.6
189.12720	9.7
192.09283	0.9
207.06444	4.1
207.09969	1.1
207.11800	1.4
207.13724	14.5
208.09683	0.9
220.74942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	9.6
55.01846	1.7
55.05498	7.6
67.05138	1.5
67.05489	26.6
69.03410	1.2
69.07055	5.5
69.73170	7.1
71.04977	1.9
72.04436	1.0
73.06531	1.9
74.38217	0.9
79.05480	48.7
81.07046	20.5
83.04961	2.1
83.08601	2.0
85.02859	1.3
85.06538	2.3
91.05463	55.5
92.59180	1.0
93.07027	100.0
93.90076	0.9
94.07337	1.7
95.04950	19.5
95.08582	8.1
97.06491	1.8
103.05380	1.1
105.04506	2.3
105.06332	2.2
105.07009	29.4
107.04974	1.4
107.08575	10.8
109.06500	4.4
109.10136	1.0
115.96392	1.1
117.06992	3.6
119.04867	1.0
119.08556	14.1
121.06467	2.3
121.10150	1.7
123.08073	2.9
127.07555	1.5
128.06201	1.1
129.06979	8.9
131.08586	1.0
133.06451	1.2
133.10121	5.2
135.08058	1.4
143.08528	6.1
145.10118	7.1
147.07999	2.6
147.11655	56.6
161.09576	3.7
161.13206	8.0
171.11658	21.1
172.12033	1.1
189.12701	9.4
207.06383	2.4
207.13765	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	10.1
55.01857	2.7
55.05495	8.8
57.03421	1.2
57.07074	1.8
59.04994	1.3
65.03905	2.5
66.95595	1.0
67.05139	1.4
67.05493	26.5
69.03394	2.6
69.07055	5.9
70.13610	4.8
71.04967	4.1
73.06535	2.0
76.12711	1.2
77.03915	1.6
79.05481	48.3
81.03394	2.2
81.07042	25.3
83.04962	4.6
83.08614	2.3
85.02882	1.8
85.06522	3.0
87.05651	1.1
91.05465	60.8
92.13361	1.0
93.07028	100.0
94.07378	1.4
95.04948	21.6
95.08594	14.1
97.06522	1.9
97.10140	1.7
103.05420	1.5
105.04501	2.6
105.07014	28.8
107.04918	1.8
107.08570	13.4
109.06477	6.1
109.10120	2.9
111.04436	1.2
115.05473	1.4
115.96411	1.5
116.97195	1.6
117.07034	6.2
117.38039	1.0
118.06531	1.3
119.04913	3.0
119.08559	20.1
121.06480	3.5
121.10126	4.4
123.04391	1.4
123.08041	8.3
123.11684	1.6
127.07574	1.3
128.06210	2.5
129.06982	9.5
131.08586	1.9
133.06444	2.0
133.10089	9.3
133.97478	2.2
135.11623	1.7
137.05962	1.5
137.09583	2.3
143.08540	6.7
145.10095	7.4
147.04367	3.6
147.08029	4.1
147.11664	57.0
149.09595	3.4
151.07501	3.0
161.05951	2.6
161.09599	4.7
161.13252	9.5
163.03827	1.1
165.09032	1.7
165.12692	1.3
171.11655	23.7
171.90422	1.1
189.12721	9.1
207.06470	7.7
207.09926	2.6
207.11708	3.3
207.13730	23.8
207.17342	2.7
224.83144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.2
54.42289	0.6
55.01862	0.6
55.05502	6.1
56.40082	0.6
57.07073	3.6
59.04984	1.9
65.03931	3.8
67.05500	32.4
68.99796	0.7
69.03427	5.2
69.07063	2.7
70.33292	3.1
71.04987	1.5
79.05479	6.4
81.03427	0.7
81.07049	5.7
83.04993	3.4
85.06538	8.9
89.42261	0.6
91.05467	22.5
93.07034	13.4
95.04968	4.3
95.08597	100.0
96.08953	1.0
97.06515	0.8
99.11916	0.7
105.07030	18.5
107.04974	1.5
107.08578	17.9
109.06516	4.7
109.10130	3.2
111.08073	1.5
113.06020	3.8
117.07000	1.9
118.04177	1.3
119.04942	12.6
119.05734	1.3
119.08568	26.9
120.09372	1.0
121.06490	3.7
121.10128	14.6
123.08060	54.8
123.11679	6.5
124.08380	1.5
125.09624	0.8
128.06248	0.6
131.08556	4.5
132.02084	1.1
133.06496	1.8
133.10124	6.9
135.08015	1.5
135.11693	3.4
137.09595	3.9
137.13200	1.4
139.07536	2.1
143.08563	1.1
145.10124	2.1
146.10864	0.7
147.04408	7.5
147.08041	4.8
147.11664	12.4
149.02335	1.3
149.09604	30.6
151.07556	2.5
151.14825	3.5
153.09116	1.5
156.09296	2.4
157.03969	0.8
159.08022	2.1
160.08820	0.9
161.09628	1.5
161.13243	17.6
163.11150	3.0
164.04579	0.8
165.09135	1.4
165.12747	9.0
171.11711	2.9
174.10358	3.8
175.03894	7.9
179.07062	1.2
179.14316	3.0
189.12733	13.3
192.04163	3.1
207.06464	4.5
207.13794	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03924	2.2
55.05504	8.8
57.07060	4.1
59.04987	1.9
65.03926	2.3
67.05492	31.0
69.03412	7.9
69.07054	5.5
69.80328	8.0
71.04972	3.3
78.95280	1.3
79.05470	6.9
81.03424	2.0
81.07038	8.8
83.04967	5.3
85.02888	2.6
85.06546	8.5
91.05463	19.9
93.07030	18.6
95.04946	5.7
95.08592	100.0
96.10612	1.1
97.06503	2.5
98.20730	1.5
99.04414	1.1
103.05439	1.9
105.07022	25.4
107.04922	1.8
107.08575	27.1
109.06483	8.1
109.10112	6.9
111.08061	2.9
113.05974	3.5
117.06981	2.3
119.04939	10.9
119.07731	2.5
119.08559	36.4
121.06509	6.3
121.10126	19.5
123.04453	1.5
123.08053	63.5
123.11653	7.1
124.08369	1.6
131.08533	6.1
133.06441	2.0
133.10100	9.7
135.08022	2.1
135.11653	3.8
137.09612	8.4
137.13226	3.0
139.07494	2.3
143.08507	2.7
145.06468	2.0
145.10121	3.4
147.04387	8.2
147.08040	7.8
147.11656	18.2
149.09595	73.7
150.09978	1.3
151.07564	3.9
151.14790	5.1
156.09314	5.6
157.08588	1.4
159.08029	2.9
159.11662	1.5
160.08861	1.9
161.09578	3.5
161.13239	29.7
163.11156	2.1
164.04691	1.4
165.09163	1.6
165.12733	13.6
171.11652	5.5
174.10385	6.6
175.03911	7.2
179.14326	4.4
189.12714	24.8
192.04062	2.0
207.06496	5.4
207.13776	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	208.027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44577	0.8
53.29102	0.8
55.05490	0.9
56.05016	1.2
56.96538	1.3
57.98784	1.3
58.99574	26.8
67.05470	1.0
68.99760	3.3
70.27446	4.2
71.46146	0.9
74.00646	11.4
76.02212	100.0
81.40517	0.8
86.99047	4.1
87.00806	14.4
88.03958	3.7
98.00607	5.5
100.02184	21.5
101.00572	5.8
102.00108	27.5
104.03461	2.2
105.00070	6.4
105.01868	1.7
108.38696	1.0
116.01678	5.9
117.00063	6.6
120.01141	20.0
120.08070	1.3
122.02699	18.4
125.94551	0.8
128.03412	3.3
144.01118	53.1
147.99480	1.5
148.00604	21.8
152.82893	0.8
156.02873	2.0
161.00400	0.9
162.02168	70.3
174.03957	2.4
177.67572	0.9
190.01649	19.1
190.03383	1.0
203.05894	1.7
208.02698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	5.4
55.01853	10.6
55.05500	32.3
57.03419	7.1
57.07064	4.8
59.04988	3.4
65.03924	5.1
67.05495	29.4
69.03421	24.1
69.07058	15.0
69.70148	13.1
70.21018	1.3
71.04981	25.2
79.05482	52.4
81.03411	2.6
81.07039	26.1
83.04967	41.3
83.08606	12.3
85.06518	7.9
87.04449	1.7
88.29247	1.4
91.05463	32.8
93.07030	46.3
95.04951	88.9
95.08597	13.3
97.06520	18.3
97.10130	2.3
98.20683	2.9
99.04440	19.4
99.08060	3.8
103.05453	4.6
105.07012	32.6
106.04176	3.0
107.04946	29.1
107.08575	67.1
108.08878	2.2
109.02866	2.1
109.06506	28.6
109.10153	10.3
111.04436	7.1
111.08061	10.6
113.05971	3.0
116.06248	2.0
117.03357	1.5
117.07016	9.6
119.04974	3.0
119.08561	17.7
121.06493	32.1
121.09249	3.1
121.10124	43.4
121.10983	3.3
123.04391	8.5
123.08038	8.9
123.11702	6.7
125.05964	14.8
125.09615	18.9
129.06989	6.3
131.04958	2.2
131.08543	70.6
133.06497	1.7
133.10109	12.0
135.04417	2.5
135.08038	14.3
135.11630	14.8
137.05948	2.8
137.09584	3.7
139.07513	5.3
143.08586	3.0
145.06476	2.6
145.10103	41.0
147.07982	9.7
147.11665	4.3
149.02319	4.4
149.04259	4.4
149.05966	10.9
149.09592	100.0
149.13211	11.7
150.02638	10.2
150.09987	2.2
151.03885	6.1
151.11176	18.3
153.05443	4.9
153.07118	1.8
153.09081	27.3
155.07141	2.1
161.05968	2.1
163.03822	2.0
163.07532	8.8
163.11162	35.3
163.14781	4.3
164.07910	2.8
165.09074	15.7
165.12746	3.9
166.04918	3.2
167.05334	15.0
167.07018	5.3
167.10658	14.2
167.14299	16.5
173.09540	8.7
173.13223	8.2
177.05443	7.3
181.04987	2.4
181.06403	1.8
191.07057	3.2
191.08965	3.9
191.10631	54.3
191.14256	23.4
192.07439	12.9
192.10843	1.8
209.04340	8.8
209.06294	3.3
209.08110	5.0
209.09937	7.4
209.11722	55.7
209.15311	47.3
209.17264	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.40917	1.9
53.87986	1.9
55.01857	3.4
55.05503	13.1
57.03417	4.0
57.07052	4.0
59.04990	3.2
60.67258	2.2
67.05481	11.4
68.99786	2.4
69.03420	8.2
69.07048	16.3
70.00692	7.5
70.01109	2.6
71.04972	7.0
79.05475	13.0
81.03415	2.4
81.07050	25.1
83.04961	24.4
83.08603	9.5
85.06522	7.0
91.05477	15.7
93.07037	32.1
95.04965	10.4
95.08600	18.2
97.06511	8.5
97.10133	3.2
99.04420	2.9
99.08086	17.9
105.07021	16.4
107.04944	3.2
107.08582	51.8
109.06474	13.2
109.10162	19.8
111.08075	10.7
119.08576	6.7
121.06488	9.9
121.10122	34.1
123.08055	15.3
123.11700	11.0
125.05986	9.9
125.09604	16.3
129.07063	2.0
131.08560	11.9
133.10104	20.3
135.08064	16.1
135.11668	7.5
137.09602	9.1
139.07504	9.4
139.11186	4.6
143.08546	2.3
145.10089	5.6
147.11685	4.6
148.97580	2.0
149.06012	2.5
149.09601	100.0
149.13220	26.1
151.11162	55.7
152.11549	2.1
153.09065	13.6
154.09880	3.0
158.10912	3.4
163.11255	3.3
163.14801	10.1
167.14319	5.2
172.39554	2.1
173.13278	17.4
177.05540	2.3
181.15820	2.4
191.14261	29.0
209.13370	3.0
209.15344	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.5
55.05501	27.2
57.03410	2.4
57.07055	5.6
59.04981	3.2
67.05497	9.6
68.99767	3.2
69.03419	25.9
69.07050	16.4
69.83527	4.6
69.83923	2.7
71.04980	4.1
79.05479	9.6
81.07047	14.3
83.04970	25.4
83.08585	11.8
83.75263	1.3
84.20894	1.3
85.06533	10.6
91.05472	7.0
93.07020	17.4
95.04945	5.1
95.08587	18.9
95.82813	1.4
97.06519	5.6
97.10149	19.5
99.04459	1.7
99.08071	15.4
105.06972	7.0
107.08571	38.3
109.06496	11.4
109.10145	16.6
111.04448	2.6
111.08062	9.0
113.05977	8.6
119.08546	4.2
121.06474	3.8
121.10123	28.8
123.08029	5.8
123.11642	6.9
125.05965	6.0
125.09609	100.0
127.07538	3.1
131.08560	4.4
133.10103	11.3
135.08017	11.9
135.11632	6.7
137.09592	3.5
139.07527	3.9
139.11145	4.3
143.08583	1.9
145.10107	3.1
147.11682	4.1
149.05923	1.5
149.09590	66.1
149.13226	11.9
151.11160	40.0
151.12413	1.7
153.09090	21.0
155.10645	2.0
158.10817	2.1
163.14809	12.6
165.12656	2.2
167.14288	4.9
173.13246	9.8
191.14268	29.0
192.07358	2.0
209.09889	1.5
209.15352	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	5.8
55.01852	10.5
55.05506	40.2
57.03426	15.9
57.07050	11.1
59.04986	8.3
62.98753	2.8
66.65144	3.3
67.05495	31.9
69.03416	12.6
69.06755	2.6
69.07054	24.2
70.74059	8.4
71.04971	18.6
77.91293	3.1
79.05483	21.9
81.03394	3.9
81.07044	43.9
83.01318	6.8
83.04967	55.4
83.08598	22.9
85.02879	4.2
85.06525	13.5
91.05469	28.0
93.07025	51.7
95.04948	100.0
95.08584	31.5
97.06521	29.9
97.10136	4.3
99.04462	17.2
99.08061	14.1
105.07020	26.9
105.85385	3.1
106.04149	7.3
107.04913	9.6
107.08575	70.7
107.20332	3.0
109.06496	81.4
109.07211	6.3
109.10153	36.3
111.04428	3.8
111.08060	25.2
117.06959	6.0
119.08544	19.2
121.06471	24.2
121.10128	51.1
123.08076	25.4
123.11695	12.5
124.02489	3.9
125.05971	8.3
125.09618	20.9
131.08534	15.0
133.10098	35.8
135.08038	27.7
135.11665	11.3
137.09573	15.4
139.07536	8.6
139.11134	7.7
145.10075	9.7
147.11690	9.2
148.10564	3.1
149.05911	11.7
149.09587	69.3
149.13232	26.2
151.11156	38.9
153.01878	3.0
153.09082	58.6
158.10947	4.4
158.99722	3.5
163.07520	5.7
163.11134	9.9
163.14796	13.4
167.07008	16.2
167.14268	18.4
170.02124	3.3
170.53349	3.1
173.13191	25.2
176.38156	3.6
177.05437	8.3
177.09137	3.5
179.08557	4.0
191.07013	4.3
191.10635	4.7
191.14290	62.5
209.08180	6.0
209.11636	6.0
209.15352	88.8
210.15587	3.9
213.51492	3.2
218.79834	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01852	1.9
55.05498	3.5
57.03400	0.6
57.07066	5.5
65.03912	1.1
66.28472	0.4
67.05489	5.0
69.03399	2.5
69.07052	5.1
70.06593	0.4
71.04980	3.1
71.49972	1.1
72.69538	0.4
75.04459	0.5
78.04671	0.9
79.05476	6.1
81.03384	0.5
81.07045	8.4
83.04959	3.6
83.08618	2.1
85.02914	0.7
85.06505	0.9
91.05466	6.0
93.03378	1.8
93.07032	7.3
95.04950	7.3
95.08590	7.4
95.62817	0.4
97.06525	3.2
97.10146	0.9
99.04459	0.8
99.08045	0.7
103.05450	1.5
105.04449	0.8
105.07033	4.1
106.04159	3.5
107.04967	1.0
107.08573	8.1
109.06499	100.0
109.10133	8.1
110.06833	2.5
111.04407	0.7
111.08054	2.3
111.11697	0.8
117.07037	1.4
118.04128	0.5
119.04865	0.6
119.08542	2.3
121.06490	4.7
121.10128	4.4
123.08051	10.3
123.11667	1.9
125.02396	0.5
125.05995	1.0
125.09605	2.2
131.04872	0.6
131.08554	4.1
133.06506	0.5
133.10117	3.2
134.03641	0.6
135.04317	0.5
135.08034	19.0
135.11655	2.7
137.05954	0.8
139.07527	0.9
145.10095	2.5
147.11699	1.4
148.08849	0.6
149.05968	4.6
149.09579	4.7
149.13271	2.5
150.10370	1.0
151.07518	0.5
151.11159	4.8
153.05472	0.7
153.09113	4.9
158.10907	1.4
161.09581	1.2
163.07451	0.6
163.11151	1.8
163.14790	1.1
165.07014	0.5
165.12775	0.7
166.07773	1.8
167.08504	0.5
167.14333	1.7
173.13239	5.9
176.11855	0.5
177.05443	3.4
177.13548	0.5
179.08522	1.4
181.08557	0.9
181.09961	1.0
191.07011	1.9
191.10645	1.3
191.14275	19.4
191.17921	1.2
192.14745	0.6
194.07230	0.7
194.10947	1.4
209.04361	1.1
209.08047	2.0
209.09651	1.4
209.11699	1.0
209.13316	2.4
209.15291	13.6
209.18935	0.8
210.07359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.66944	1.8
55.01862	5.3
55.05502	22.8
57.03420	4.6
57.07068	6.2
59.04985	4.0
61.02929	2.2
65.03932	2.3
67.05498	21.1
69.03423	15.9
69.07053	20.4
69.75590	13.6
71.04979	12.6
72.44810	1.7
76.82166	1.7
79.05488	16.6
81.03429	3.7
81.07053	29.3
83.04970	23.2
83.08611	10.2
85.02882	1.8
85.06542	9.4
91.05477	18.0
93.07034	46.1
95.04959	23.1
95.08596	36.3
97.06528	14.9
97.10146	2.9
98.20638	1.8
99.04449	7.5
99.08103	4.8
105.07018	24.7
106.04151	3.3
107.04928	4.2
107.08578	66.2
109.06490	19.3
109.10136	27.7
111.08083	9.1
117.07002	3.6
119.06129	1.9
119.08582	17.4
121.06483	9.1
121.10126	43.9
123.08051	19.4
123.11701	11.2
125.09637	10.3
131.04874	2.2
131.08528	17.3
133.10112	50.1
135.08029	17.6
135.11659	13.0
137.05959	2.0
137.09589	17.3
139.07538	5.7
139.11189	5.8
143.08594	2.1
144.09367	1.9
145.10118	9.0
147.07976	2.0
147.11642	10.3
149.06017	4.1
149.09602	100.0
149.13237	38.4
151.11153	39.4
153.09088	9.5
158.10931	4.7
161.13242	3.0
163.07617	2.4
163.11185	4.7
163.14806	16.8
165.12767	5.0
167.07120	2.2
167.10680	2.4
167.14279	8.0
173.13246	34.7
177.05441	2.9
181.15785	2.9
187.92653	1.9
188.27878	1.7
191.14278	51.7
209.04466	5.8
209.09746	4.0
209.11699	2.0
209.15338	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03928	3.4
55.01848	5.1
55.05502	79.0
57.03421	3.3
57.07057	3.5
59.04974	6.2
60.72418	1.4
65.03918	1.3
67.05496	13.0
69.03418	14.0
69.07066	7.9
69.07369	1.4
69.89660	4.1
69.90075	5.2
71.04995	6.7
72.04504	1.4
77.03920	1.3
79.05479	13.1
81.07043	26.0
83.04966	100.0
83.08609	42.4
85.02854	2.3
85.06527	5.9
91.05458	12.3
93.07037	19.4
95.04955	43.0
95.08586	14.5
97.02915	1.3
97.06515	14.9
97.10165	9.9
99.04438	7.9
99.08067	4.8
101.05986	1.8
105.06998	11.8
106.04170	3.4
107.08578	38.1
109.06505	31.0
109.10132	31.5
111.04441	2.1
111.08068	16.4
113.09623	2.6
115.20393	1.4
116.99503	1.3
117.06998	2.6
119.08540	7.5
121.06461	5.1
121.10122	22.5
123.08037	4.5
123.11681	13.7
125.09613	19.8
131.04955	3.2
131.08536	7.9
133.10091	15.6
134.10490	1.4
135.08009	6.7
135.11662	4.4
137.09567	2.8
139.07491	3.4
139.11160	1.7
145.06479	1.6
145.10103	4.4
147.11656	4.6
149.05936	5.3
149.09601	11.3
149.13249	16.1
151.11162	41.3
153.09076	16.9
161.13257	1.6
163.11186	3.0
163.14796	4.2
165.12645	1.6
167.06973	2.4
167.14297	74.7
168.05069	1.6
168.14619	2.7
173.09688	1.7
173.13239	8.0
177.05431	1.8
177.52518	1.4
191.10661	3.4
191.14308	12.7
191.96675	1.4
209.04448	2.2
209.08026	2.3
209.11629	3.0
209.13354	3.2
209.15327	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	210.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17628	0.3
53.36601	0.2
54.70034	0.3
55.05494	0.7
56.05022	0.4
56.96553	1.3
62.06074	0.6
62.83395	0.3
67.05486	0.6
68.05000	0.3
69.03414	0.5
70.17735	0.6
70.18147	0.9
72.04500	1.6
72.08803	0.3
74.06053	0.4
76.36069	0.3
79.05482	2.5
81.03383	0.7
81.07047	0.3
83.04971	0.5
84.04485	0.4
84.08162	0.5
85.02911	0.3
89.03886	0.5
91.05465	4.4
93.07033	0.8
94.06559	0.3
95.04958	0.7
95.08588	0.4
97.06494	0.4
97.07655	0.4
101.06006	0.5
103.05449	5.9
103.06094	0.5
105.07009	7.2
106.06548	0.4
107.04929	2.4
107.08601	0.3
109.02825	0.4
109.06447	0.3
110.06021	1.2
111.04390	0.4
113.96387	0.4
117.05743	1.4
117.06995	2.4
118.06528	3.9
118.07303	0.5
119.07312	6.5
119.08557	0.7
120.08088	8.4
121.06477	1.3
122.06002	0.5
123.04391	0.6
124.03933	1.7
124.07539	0.3
128.06223	1.3
129.06975	4.8
130.06467	0.6
131.04892	2.2
131.07292	1.5
135.04376	1.2
135.08069	0.3
144.08025	1.3
145.03586	0.5
146.09616	7.8
147.04366	0.6
149.05980	0.4
161.01163	0.3
163.03864	3.3
163.97690	0.3
164.10680	100.0
165.05414	0.3
165.11061	1.9
168.06419	0.4
169.03423	0.3
170.03484	0.3
171.03143	0.3
177.00644	0.3
180.06226	0.3
187.04469	0.8
192.10178	0.7
193.12184	0.3
205.98833	0.4
210.07922	1.3
210.11203	11.6
210.15410	0.8
211.11348	0.4
224.67865	0.3
233.05032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.78356	1.2
53.03934	6.8
53.08911	1.0
55.01861	6.7
55.05500	51.9
56.96550	1.9
57.03431	9.9
57.07053	3.9
59.04989	2.3
59.54099	1.0
62.98426	1.1
65.03925	2.5
67.05494	46.3
68.79229	1.0
69.03422	16.9
69.07052	21.0
70.50893	2.3
70.51292	2.7
71.01345	1.6
71.04984	10.8
71.08605	1.7
71.44238	0.9
73.77094	1.0
77.03926	1.0
79.05479	37.7
81.03403	100.0
81.07040	62.1
83.04966	59.2
83.08604	35.8
85.02893	1.4
85.06538	4.5
91.05460	39.8
93.07028	27.5
95.04951	35.7
95.07997	2.4
95.08588	37.6
97.02889	5.3
97.06523	9.8
97.10168	8.4
99.04439	1.7
99.08092	3.2
105.04383	1.0
105.07011	34.7
107.04944	7.4
107.07899	2.2
107.08574	25.6
109.06512	15.4
109.10137	48.6
111.04401	2.3
111.08066	23.4
113.05944	2.8
115.05445	1.2
117.07063	2.0
119.04908	2.0
119.08558	37.9
121.06470	2.5
121.10123	17.1
123.04393	2.2
123.08038	16.8
123.11691	9.9
125.05984	1.2
125.08802	1.0
125.09639	4.7
127.03925	1.0
127.07514	1.9
128.06171	2.0
129.06981	12.0
131.08548	14.9
133.06474	4.2
133.10115	25.8
135.08023	1.5
135.11670	27.4
137.05968	3.8
137.09590	31.8
137.13228	2.4
138.10399	2.4
139.11179	2.7
141.07010	3.1
142.07803	2.9
143.08527	2.5
145.10115	2.6
147.08032	4.3
147.11668	17.3
149.09569	9.3
149.13248	5.4
151.03827	1.8
151.07527	1.4
151.11179	5.0
151.14816	4.0
153.07063	2.6
153.12762	1.3
154.07683	1.6
155.08499	7.7
156.09271	1.2
157.10081	15.6
163.11253	1.4
165.07065	2.1
165.12700	7.4
165.16380	1.8
167.06993	3.4
167.08540	3.3
168.09346	3.3
169.10089	16.1
170.10860	1.5
175.11151	16.2
175.14781	17.2
179.07103	1.2
181.06395	1.7
181.10057	6.8
182.10854	2.8
183.06520	2.7
183.08092	2.4
183.11644	6.2
193.04878	1.0
193.08591	1.9
193.10310	2.6
193.12202	32.0
193.15863	11.7
196.08800	2.1
196.12459	7.3
202.27464	1.0
210.46983	1.0
211.05870	1.3
211.07585	4.7
211.11186	7.3
211.13220	10.3
211.14851	17.8
211.16899	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	211.1689
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03935	2.5
55.01861	4.4
55.05499	24.1
55.77117	1.4
56.96548	5.8
57.03415	4.7
57.07067	9.6
59.04986	3.2
66.56142	2.3
67.05490	42.4
69.03428	10.7
69.07059	24.8
70.40436	1.7
71.04985	8.9
71.08608	2.1
71.70108	3.0
79.05482	16.0
79.21967	1.8
81.03417	10.8
81.07043	51.7
83.04963	23.4
83.08611	18.6
85.02892	2.7
85.06528	6.7
91.05460	18.7
93.07031	22.7
95.04971	12.1
95.08595	58.3
97.02866	2.0
97.06500	7.1
97.10159	5.7
99.04461	2.1
99.08067	6.2
103.05492	1.8
105.07018	20.1
105.43464	2.0
107.04930	3.1
107.08569	33.4
109.06498	18.7
109.10144	100.0
111.08072	22.6
113.06005	2.4
113.09648	2.4
117.07011	1.8
119.04943	2.2
119.08564	43.2
121.06481	2.1
121.10136	23.8
123.04396	2.9
123.08050	30.0
123.11690	19.9
125.09620	5.0
127.11127	3.8
129.07004	4.4
131.08543	4.1
133.10104	30.7
135.08023	2.1
135.11673	59.2
137.05966	7.5
137.09592	52.1
137.13246	4.8
138.10367	5.1
139.11157	3.2
141.06949	4.6
142.07736	3.3
143.08540	4.1
147.08124	2.8
147.11661	9.2
149.13261	8.1
151.03857	2.2
151.07500	3.6
151.11177	10.2
151.14828	11.9
152.06126	2.4
153.06964	5.3
154.07736	4.1
155.08502	12.9
156.09241	2.6
157.10100	6.4
165.05589	1.8
165.06908	3.4
165.12749	7.0
167.07126	3.8
167.08534	6.0
168.09346	6.1
169.10107	20.4
170.10762	2.5
175.11140	4.3
175.14799	34.4
180.64001	1.6
181.06500	3.5
181.10146	9.7
182.10878	5.2
183.06500	3.4
183.11676	10.6
193.04959	2.5
193.10274	1.9
193.12245	5.1
193.15884	20.0
194.16216	1.7
196.08772	4.2
196.12448	8.9
205.98759	2.0
211.05823	3.1
211.07552	7.0
211.09489	2.5
211.11369	14.1
211.13321	2.3
211.14818	31.8
211.16881	9.3
228.75165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01873	2.1
55.05501	19.6
57.03428	3.1
57.07055	7.0
59.04988	4.0
67.05493	33.2
69.03418	12.5
69.07053	17.4
70.06570	2.0
71.04977	7.1
71.08603	2.8
71.70208	2.8
79.05486	12.2
81.03425	3.1
81.06603	2.8
81.07046	39.0
83.04971	15.4
83.08611	8.9
85.06531	6.4
91.05474	10.2
93.07026	17.3
95.04959	7.8
95.08591	52.4
97.06517	3.6
97.10143	3.7
99.04436	3.9
99.08085	6.4
105.06999	14.1
107.04940	1.6
107.08578	30.3
109.06487	14.0
109.10135	100.0
111.08052	5.4
113.09658	3.2
117.06992	2.7
119.08562	29.7
121.10131	15.8
123.04393	2.1
123.08051	15.1
123.11681	13.6
125.09630	5.1
133.10101	22.1
135.08046	1.6
135.11671	62.9
137.05965	3.8
137.09595	24.1
138.10246	1.8
139.11200	2.5
147.11664	2.3
149.13240	7.1
151.07570	2.0
151.11163	11.0
151.14801	11.1
153.06990	2.6
153.12711	4.4
154.07790	1.6
155.08542	6.0
165.07143	1.7
165.16356	2.2
167.07062	13.3
167.08403	2.6
168.09296	3.8
169.10109	8.0
175.11229	1.7
175.14801	22.2
181.10083	3.7
183.08093	2.4
183.11693	5.5
193.10161	4.4
193.12167	3.0
193.15840	18.8
196.12456	5.4
211.05864	2.0
211.07573	4.4
211.09428	2.7
211.11293	8.9
211.13083	2.0
211.14796	11.6
211.16917	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03914	2.3
55.01864	4.2
55.05503	22.2
57.03415	5.8
57.07063	5.3
59.04982	5.1
67.05493	39.1
69.03419	8.8
69.07061	20.1
70.06589	2.8
71.04976	17.1
71.70168	2.1
79.05479	22.0
80.98511	1.7
81.03407	6.0
81.07044	63.1
83.04966	11.5
83.08607	10.0
85.02882	1.9
85.06519	19.4
91.05459	26.5
93.07031	69.6
94.06548	3.1
94.60432	1.6
95.04964	10.9
95.08591	98.2
97.06528	8.7
97.10161	2.7
99.04451	3.8
99.08069	18.6
101.05951	2.0
105.07018	32.9
107.04935	1.8
107.08578	88.4
108.08902	2.2
109.02821	1.8
109.06527	9.5
109.10139	41.5
111.08062	10.4
113.06007	2.1
113.09615	5.8
115.05453	2.0
116.46465	1.7
117.06997	2.0
119.06027	2.8
119.08560	73.2
120.09996	1.6
121.06524	1.8
121.10141	17.3
123.08032	7.5
123.11684	20.3
125.05984	2.9
125.09608	11.2
131.08536	3.6
133.10104	59.6
135.11671	100.0
136.11984	2.3
137.05914	3.2
137.09583	17.5
137.13235	2.1
141.09048	1.8
142.07716	2.5
145.10059	2.1
147.04356	2.4
147.11665	14.7
149.13181	8.6
151.03877	5.0
151.07469	3.5
151.11145	9.1
153.06943	2.3
153.12712	3.6
155.01662	3.3
155.08449	5.3
155.10620	4.3
163.14795	34.5
165.05498	3.7
165.06918	1.8
165.09055	2.8
165.12775	3.2
167.07016	3.9
167.08391	1.8
167.17776	2.0
168.09337	4.8
169.03151	4.0
169.10085	8.8
175.11246	2.0
175.14806	52.5
179.05797	1.9
183.11652	6.8
193.04912	3.9
193.10231	2.8
193.12181	3.0
193.15872	16.8
196.08820	2.5
196.12390	2.9
211.05861	3.3
211.07564	3.8
211.09352	2.6
211.11174	6.6
211.13072	3.7
211.14839	5.7
211.16904	22.1
232.38329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1687
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.4
55.05496	15.3
57.07055	3.9
59.04979	3.3
62.24150	1.0
67.05141	1.8
67.05491	30.1
69.03407	9.0
69.07056	16.9
71.00432	1.8
71.04969	4.0
71.08595	1.5
79.05476	6.3
81.06548	1.0
81.07040	33.6
83.04961	11.6
83.08601	10.3
85.06525	4.4
91.05447	5.7
93.07015	13.5
95.04938	3.6
95.08587	43.8
97.06511	2.5
97.10118	2.7
99.08064	4.2
105.07008	7.7
107.08569	25.7
109.06490	12.3
109.10133	100.0
110.10445	1.7
111.08070	4.0
113.09628	2.3
119.08553	23.8
121.10119	12.3
123.08044	15.7
123.11677	10.5
125.09603	2.0
127.11112	1.3
133.10095	19.6
135.11662	63.5
137.09586	18.3
139.11113	3.0
149.13239	6.1
151.11157	11.1
151.14774	13.4
153.12701	1.9
155.08473	1.3
165.16353	2.9
168.09210	1.0
169.10071	1.4
175.14796	20.0
181.10007	0.9
193.15837	18.6
211.07538	1.2
211.14981	1.6
211.16905	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03936	1.1
53.34718	0.7
55.01870	1.2
55.05236	1.0
55.05505	15.2
56.50557	0.7
57.03422	1.3
57.07064	4.8
59.04990	2.9
64.50832	0.8
65.03901	0.9
67.05495	35.2
69.03426	10.8
69.07056	17.8
71.04974	5.1
71.08627	1.7
71.47601	1.1
79.05469	6.0
81.03378	0.9
81.07043	33.3
83.04971	13.6
83.08611	11.0
85.06532	4.9
91.05473	5.7
93.07032	14.2
95.04964	4.7
95.08592	42.5
97.06517	2.5
97.10162	3.0
99.04434	0.8
99.08086	4.3
101.37543	0.8
105.07001	8.9
107.08578	28.8
109.06501	13.7
109.10139	100.0
110.10446	1.9
111.08061	4.1
113.09622	2.4
119.08565	25.6
120.09084	0.9
121.10135	11.7
122.07274	1.1
123.04433	1.0
123.08048	14.6
123.11686	10.6
125.09618	2.7
127.11172	1.5
131.08617	0.9
133.09319	0.5
133.10110	20.1
135.11670	64.9
136.11990	1.3
137.09589	18.9
138.10344	1.0
139.11179	2.5
141.63071	1.0
147.11678	2.2
149.13234	8.0
151.03903	1.3
151.11160	12.0
151.14803	12.0
153.12720	2.6
155.03418	3.0
155.08527	3.0
164.62077	0.9
165.06972	1.2
165.12741	1.3
165.16353	3.3
167.07071	1.2
167.08511	1.0
169.10168	3.8
175.14815	19.3
181.10075	0.9
183.11612	1.5
193.15872	17.3
193.41312	0.7
196.12468	0.7
209.84880	0.8
211.07642	1.2
211.09546	2.2
211.11302	1.3
211.14804	5.4
211.16931	4.7
218.66200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.05249	1.8
53.03933	6.2
55.01856	5.2
55.05500	33.1
57.03415	8.4
57.07046	5.9
59.04993	71.7
65.03901	2.6
67.05492	42.8
67.33812	2.0
69.03411	14.1
69.07061	24.5
69.94675	13.7
70.06589	2.5
71.04980	18.9
76.33104	2.1
79.05484	26.2
81.03401	11.9
81.07045	68.7
83.04954	18.4
83.08623	13.1
85.02909	3.6
85.06525	18.7
91.05462	27.4
93.07032	76.3
95.04948	24.1
95.08592	80.8
97.02853	2.7
97.06523	10.1
97.10157	2.2
99.04456	3.2
99.08070	24.3
101.05978	4.4
105.04498	2.0
105.07008	32.7
107.04953	2.7
107.08579	88.1
109.02846	2.7
109.06514	10.8
109.10137	58.0
111.08068	100.0
111.11729	1.9
113.06001	3.1
113.09657	2.5
117.06996	3.7
119.08556	73.7
121.10133	24.9
123.04410	3.6
123.08015	7.8
123.11672	24.0
125.09601	22.4
131.08546	3.1
133.09169	3.7
133.10110	47.9
135.11671	97.4
136.12036	3.0
137.02322	12.7
137.05853	3.1
137.09601	18.8
147.11684	22.8
149.13223	6.2
151.03926	3.6
151.07513	3.6
151.11162	51.3
151.14807	2.9
153.12625	3.1
154.07715	2.2
155.08519	4.0
155.10637	5.1
163.14795	70.8
165.05470	8.0
165.06938	4.5
165.12737	6.0
165.16428	3.2
167.06985	4.6
167.16197	3.6
175.11224	5.4
175.14806	49.1
181.08601	3.2
181.10092	3.3
181.15793	3.0
183.06546	3.6
183.08029	3.9
183.11687	6.2
193.04942	5.0
193.08516	3.1
193.12215	7.7
193.15897	20.5
194.07828	1.8
196.08762	2.9
211.07718	11.3
211.11201	5.9
211.13202	7.9
211.14992	3.3
211.16936	32.4
211.18871	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	211.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.93957	1.5
55.01846	2.6
55.05495	16.2
57.03415	4.8
57.07048	5.1
65.03920	2.0
67.05141	1.7
67.05489	34.6
69.03416	11.8
69.07056	20.6
70.06538	1.2
71.04992	7.1
71.09255	3.5
74.11591	1.2
74.43279	1.3
79.05466	9.1
81.03384	4.0
81.07041	35.3
83.04956	16.7
83.08607	11.8
85.06496	5.0
91.05453	10.5
93.07023	15.1
95.04949	9.1
95.08585	45.2
97.06496	3.9
97.10110	3.5
99.04416	1.9
99.08061	4.2
105.03355	1.7
105.07005	11.8
107.08566	28.0
109.06492	13.9
109.10131	100.0
110.10426	1.7
111.04408	1.8
111.08047	8.0
112.47932	1.5
119.08559	33.2
120.08886	1.3
121.10122	14.3
123.04443	2.4
123.08040	19.1
123.11688	12.5
124.07562	1.5
125.02345	1.4
125.09589	2.8
131.08463	1.9
133.02750	1.4
133.10091	19.7
135.11665	62.4
137.05945	3.6
137.09583	25.0
138.10393	2.2
139.11110	2.4
141.85982	1.4
147.04439	1.9
147.11667	4.0
149.13226	7.2
151.03848	1.8
151.11136	11.5
151.14793	11.3
153.06935	1.3
153.12715	4.5
153.66478	1.4
155.08527	4.4
165.05463	2.5
165.09035	2.6
165.16374	2.2
167.07042	4.3
168.09302	1.6
169.10077	6.0
175.11229	1.9
175.14801	23.5
181.10092	3.2
183.06477	1.8
183.11618	5.0
193.04927	3.9
193.08435	2.5
193.10120	3.2
193.15855	18.4
196.12415	2.2
196.67505	1.4
211.05861	3.4
211.07558	3.7
211.11118	6.3
211.12996	2.6
211.14766	8.8
211.16890	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	212.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05502	29.3
56.33540	0.7
56.96544	0.8
57.06803	1.0
57.07067	13.4
67.05470	1.8
69.07054	32.5
71.08615	6.7
71.69755	1.2
79.05463	1.2
81.07022	1.3
83.08604	24.6
85.10138	1.9
88.07602	0.8
91.05448	1.0
93.07021	1.0
95.08588	0.8
97.10147	12.5
105.07000	0.8
111.11665	2.0
118.13448	0.7
119.06034	0.7
136.07489	0.9
138.09056	0.9
142.07729	0.9
143.08534	0.8
157.10088	1.1
212.09074	1.7
212.11545	1.1
212.23697	100.0
213.12689	0.7
213.16391	1.2
213.24028	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03920	1.3
55.01849	1.6
55.05491	1.6
56.96549	1.3
57.03429	1.0
65.03947	1.3
65.65316	0.8
67.05482	2.0
69.03414	1.5
70.06576	2.5
74.74145	0.9
79.05479	12.1
81.07030	3.5
83.04955	1.9
83.08529	0.8
83.46046	0.9
85.02886	1.6
91.05466	32.5
93.06438	1.6
93.07027	30.1
95.04937	3.2
95.08585	2.3
98.21535	2.1
103.05494	1.9
105.07011	43.6
107.04925	2.3
107.08573	71.3
109.06506	4.3
109.10150	1.5
111.04379	1.1
115.05419	1.2
116.06213	3.4
117.06992	3.9
119.04927	2.0
119.08562	100.0
120.08881	1.8
121.06474	2.7
121.10121	26.6
123.08044	3.8
123.11676	1.3
125.02314	1.0
125.05979	2.5
125.09579	1.4
129.06995	5.1
131.08545	38.6
133.06444	3.6
133.10100	4.1
135.04436	1.8
135.08022	5.2
139.03952	1.3
140.04640	1.3
141.05493	1.0
141.06931	1.1
147.08025	42.9
149.09596	31.0
151.11121	1.3
153.05470	4.6
159.08025	9.3
163.03874	1.7
165.09097	35.8
166.09528	1.0
167.03386	2.2
167.07014	1.6
167.10648	7.9
177.07529	1.5
177.09085	27.3
181.04860	0.8
185.45174	0.9
195.10144	27.4
205.13864	0.9
213.05476	1.7
213.09192	1.6
213.11168	23.5
213.16014	0.8
229.54880	1.0
229.57068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1118
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03920	2.3
55.01852	1.7
55.05486	3.0
56.96532	2.9
57.03409	1.6
65.03931	1.6
65.10329	0.8
67.05470	3.9
68.99757	1.4
69.03396	3.0
69.07030	2.1
70.06577	8.8
70.90956	2.8
71.04953	2.6
72.08116	2.2
72.18913	0.9
79.05472	9.8
81.03381	2.6
81.07017	3.4
83.04931	0.8
85.02849	2.4
85.06547	1.2
86.09663	2.8
88.07589	2.4
91.05463	28.5
93.07024	30.6
95.04969	4.1
95.08573	3.2
97.02863	2.1
97.06494	1.0
99.04453	5.7
103.05431	2.8
105.07010	36.9
107.04909	2.8
107.08572	57.4
108.08849	0.9
109.06511	4.5
109.10101	2.5
110.07098	1.9
111.04417	1.0
115.05408	2.6
116.06182	3.5
117.06959	2.6
119.04892	2.2
119.08556	100.0
120.08869	1.5
121.06487	4.5
121.09270	1.8
121.10118	34.3
123.04387	2.6
123.08004	2.7
125.05933	1.4
125.09599	1.9
127.03853	2.7
128.06204	1.1
129.06995	4.3
129.82147	0.9
131.08543	36.6
133.06474	13.0
133.09196	1.1
133.10109	16.8
135.04321	3.2
135.08026	11.6
137.05913	1.2
137.09554	2.1
139.03838	1.8
139.05321	2.4
147.04303	1.0
147.08020	19.1
148.97293	1.7
149.09586	48.3
149.97189	0.9
151.03764	1.1
151.07500	8.5
153.05426	6.0
153.09041	2.4
157.06418	3.2
158.59575	1.0
159.08023	9.3
165.09090	19.9
167.04868	1.1
167.10628	17.6
177.09073	54.5
185.05902	4.1
185.09563	1.4
195.10127	42.0
213.03600	1.4
213.05418	14.5
213.09273	1.8
213.11121	32.7
223.66330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80600	0.6
52.69571	0.7
53.03941	2.4
55.01863	18.1
55.05502	74.1
56.05848	0.7
56.30727	0.7
57.03428	2.4
57.07076	2.2
59.04996	2.4
65.03949	0.8
67.05493	31.2
69.03416	8.5
69.07053	15.2
69.69297	2.3
69.69740	2.7
71.04980	71.9
79.05481	21.4
81.03411	3.7
81.07043	37.3
82.07409	0.6
83.04965	7.7
83.08605	49.9
85.02887	0.6
85.06532	6.8
85.14211	0.7
87.04452	9.5
88.07601	1.7
91.05465	6.8
93.07030	21.3
93.19360	0.6
95.04961	2.1
95.08582	11.1
95.09186	0.7
97.06516	97.3
97.10153	67.3
98.06849	0.9
98.10461	0.9
98.21523	0.8
99.08082	1.0
101.05962	1.2
101.09648	1.6
105.07028	4.1
107.04933	1.4
107.08572	24.5
109.02854	1.0
109.06508	1.2
109.10135	15.7
111.08056	3.6
113.05973	1.4
117.06997	4.0
119.08556	2.6
121.06482	2.1
121.10144	3.7
123.08057	1.6
123.11708	0.8
125.09608	41.7
127.03904	1.9
127.07536	0.9
129.06978	1.8
131.08556	4.8
133.10103	5.5
135.08049	5.3
135.11665	6.9
141.06940	0.9
142.07724	1.7
143.08507	2.3
143.10617	0.6
145.10115	0.7
147.11671	1.1
149.09587	1.4
149.13232	4.8
151.11072	0.6
153.09077	2.6
155.92578	0.6
156.09293	1.5
157.10123	4.3
159.11667	6.0
165.12686	0.6
167.08406	0.9
167.14284	1.1
170.10970	0.7
171.07962	0.6
171.11617	3.4
177.12733	6.7
183.07968	0.6
185.13275	1.4
189.11186	8.9
195.13774	44.4
196.14041	1.8
198.10335	0.8
213.03752	0.9
213.05518	1.1
213.09120	2.1
213.14789	100.0
213.16393	5.2
214.15054	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1482
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.80600	0.6
52.69571	0.7
53.03941	2.4
55.01863	18.1
55.05502	74.1
56.05848	0.7
56.30727	0.7
57.03428	2.4
57.07076	2.2
59.04996	2.4
65.03949	0.8
67.05493	31.2
69.03416	8.5
69.07053	15.2
69.69297	2.3
69.69740	2.7
71.04980	71.9
79.05481	21.4
81.03411	3.7
81.07043	37.3
82.07409	0.6
83.04965	7.7
83.08605	49.9
85.02887	0.6
85.06532	6.8
85.14211	0.7
87.04452	9.5
88.07601	1.7
91.05465	6.8
93.07030	21.3
93.19360	0.6
95.04961	2.1
95.08582	11.1
95.09186	0.7
97.06516	97.3
97.10153	67.3
98.06849	0.9
98.10461	0.9
98.21523	0.8
99.08082	1.0
101.05962	1.2
101.09648	1.6
105.07028	4.1
107.04933	1.4
107.08572	24.5
109.02854	1.0
109.06508	1.2
109.10135	15.7
111.08056	3.6
113.05973	1.4
117.06997	4.0
119.08556	2.6
121.06482	2.1
121.10144	3.7
123.08057	1.6
123.11708	0.8
125.09608	41.7
127.03904	1.9
127.07536	0.9
129.06978	1.8
131.08556	4.8
133.10103	5.5
135.08049	5.3
135.11665	6.9
141.06940	0.9
142.07724	1.7
143.08507	2.3
143.10617	0.6
145.10115	0.7
147.11671	1.1
149.09587	1.4
149.13232	4.8
151.11072	0.6
153.09077	2.6
155.92578	0.6
156.09293	1.5
157.10123	4.3
159.11667	6.0
165.12686	0.6
167.08406	0.9
167.14284	1.1
170.10970	0.7
171.07962	0.6
171.11617	3.4
177.12733	6.7
183.07968	0.6
185.13275	1.4
189.11186	8.9
195.13774	44.4
196.14041	1.8
198.10335	0.8
213.03752	0.9
213.05518	1.1
213.09120	2.1
213.14789	100.0
213.16393	5.2
214.15054	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	215.1639
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.05492	41.0
63.63778	8.9
67.05485	40.3
69.06654	7.2
69.07042	29.8
70.39596	37.3
70.62016	7.5
71.04968	17.3
74.09697	9.4
79.05473	27.1
81.07048	78.7
83.04953	40.7
83.08591	29.7
85.06525	28.7
91.05460	23.1
93.07042	28.8
95.08602	100.0
97.06523	22.3
98.20911	14.5
99.08138	8.4
105.07008	36.1
107.08569	12.4
109.10170	9.0
111.04395	14.9
117.06974	11.1
119.08556	48.5
121.10145	11.9
128.06143	20.1
128.14317	12.1
131.08543	23.0
132.95816	14.1
133.10133	28.5
135.11702	18.7
137.13222	15.7
145.10132	18.4
150.96869	49.6
155.08543	8.7
159.08067	8.8
159.11659	15.5
161.13228	66.6
169.10059	9.5
171.08044	57.2
179.14255	33.1
197.15192	17.4
209.98134	8.9
215.07050	45.2
215.10675	20.3
215.14188	22.8
215.17778	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32631	1.6
53.03925	1.8
55.01865	5.8
55.05501	100.0
57.03417	3.2
57.07066	28.5
59.04986	4.9
62.50633	1.6
67.05496	26.2
69.03406	5.2
69.07053	64.7
70.06583	2.0
70.88074	5.0
71.04990	8.7
71.08626	11.9
72.04499	2.0
72.08132	5.2
73.02917	2.2
73.06565	3.0
79.05472	19.4
81.07039	46.3
83.04965	51.3
83.08603	88.0
84.08143	2.4
84.08917	1.7
85.06531	10.0
85.10160	6.4
86.06046	17.5
86.09685	2.8
87.04452	7.7
89.02377	5.8
89.06014	5.5
91.05460	10.1
93.07029	33.0
93.07588	2.6
95.04984	1.6
95.08585	37.3
96.08139	2.5
97.02894	3.2
97.06511	28.4
97.10146	52.6
99.04435	2.1
99.08086	2.2
100.07581	10.1
101.02335	3.6
101.06007	19.0
103.10163	1.9
105.06995	7.0
107.08567	37.4
109.06476	3.5
109.10136	13.3
111.04417	53.0
111.08057	24.4
111.11704	5.2
113.05984	6.8
114.09151	8.1
115.05480	2.6
115.07550	3.6
116.10715	6.2
117.07006	2.6
119.08549	3.5
121.10117	27.8
123.11680	8.0
125.09601	17.2
126.09114	4.5
127.07525	8.3
128.06201	3.3
128.10709	2.7
129.05475	18.4
129.07004	2.9
129.09076	2.7
131.08575	2.7
133.10124	1.8
135.11676	10.2
137.05934	3.3
139.01797	2.5
139.11153	6.8
139.14835	2.1
142.08629	2.6
142.12230	3.0
143.08527	3.2
145.10075	1.9
155.07002	77.9
157.10083	2.1
159.11636	1.7
160.08771	2.0
161.06001	3.1
161.09607	2.4
161.13271	1.9
163.14792	82.2
170.11687	3.5
171.11655	2.5
173.05875	2.6
173.08061	36.8
174.03094	5.4
174.13521	1.8
181.15837	35.9
182.16306	1.7
188.08333	1.9
198.11209	22.6
198.18494	17.3
199.09665	4.4
199.16946	2.1
202.02563	28.0
213.45184	1.6
216.10408	2.6
216.12317	16.5
216.14548	3.4
216.19600	4.9
216.23282	2.0
217.04927	36.3
217.08585	8.2
217.10681	29.0
217.15828	4.6
217.19531	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18881	0.8
55.01855	1.7
55.05503	26.0
59.04976	2.7
67.05479	3.5
69.03407	2.5
69.07040	3.4
70.89320	3.1
71.04955	4.2
73.02885	1.4
81.07038	1.3
83.04968	37.6
83.08583	2.2
84.69301	0.8
85.02892	100.0
85.06519	3.5
87.04430	3.4
89.02367	3.8
89.05995	5.3
91.05466	42.4
91.47069	0.8
92.86266	0.7
93.07044	1.8
95.04951	2.0
95.08616	0.9
97.06513	1.8
99.04427	2.9
101.05997	13.5
105.07007	3.5
107.08568	1.7
111.04425	43.0
111.08040	1.0
113.05985	14.5
115.05435	9.4
117.07000	97.2
118.07317	1.6
119.08538	2.6
126.24999	0.8
127.07536	8.5
128.06136	1.4
129.05473	13.0
129.06960	6.4
131.04901	1.8
131.08545	5.3
133.10088	1.2
137.05937	1.8
139.04243	1.0
141.06908	1.2
143.08504	2.0
147.07970	0.8
155.07008	63.1
156.07353	1.2
157.10083	3.0
159.08031	2.2
161.05963	1.3
171.07945	0.9
173.08070	32.8
173.09467	2.0
174.03120	5.3
175.11101	1.3
181.10231	1.0
189.09126	1.1
189.16286	0.9
199.09636	3.6
199.11244	1.3
199.14670	0.8
202.02597	26.9
203.02943	1.1
217.04932	31.4
217.08264	1.7
217.08656	1.1
217.10614	21.4
217.12257	25.6
217.15831	2.8
217.19278	1.4
218.05238	1.3
233.12115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.8
55.05489	2.4
56.99257	0.9
57.03392	1.2
59.04966	0.9
59.06174	0.9
61.02917	24.7
62.19505	1.1
62.35558	1.0
67.05475	2.5
69.03402	2.4
71.01341	37.2
75.04468	52.8
79.05466	1.8
81.07021	3.3
84.99250	1.2
87.04454	20.9
89.02377	8.1
90.05505	1.4
91.05458	1.9
93.07017	2.1
95.08588	1.4
101.05976	0.9
103.03925	65.0
105.06999	3.8
107.08569	2.2
117.06983	1.5
119.08567	6.1
120.87151	1.0
121.06469	1.8
121.10126	7.8
123.07993	1.3
129.06996	1.0
130.96539	1.0
131.03389	14.0
131.08524	1.3
133.10092	8.0
135.11716	1.3
145.10019	1.9
147.08034	1.5
147.11655	2.8
149.09572	1.3
159.02866	100.0
161.04401	1.6
161.09624	1.6
161.13197	2.9
163.03897	2.0
170.10835	1.2
173.05963	1.9
173.09593	1.9
175.14832	1.4
187.02374	9.3
187.11247	2.1
203.14287	29.5
219.04959	7.6
219.06711	2.1
219.17403	94.4
239.43559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45530	0.5
58.12682	0.5
69.85384	3.0
69.85783	0.7
72.08135	0.8
82.99842	1.1
83.04964	1.2
94.06521	2.0
98.97554	1.8
101.00860	11.2
103.02409	1.6
115.02408	7.9
116.98630	1.1
119.01897	30.2
121.03466	0.7
129.03961	2.6
133.03444	39.2
134.03595	0.9
134.99602	0.7
137.02917	6.2
141.03929	0.5
142.03430	0.6
143.01865	8.4
147.04985	3.8
151.04494	6.1
153.03949	1.5
156.05022	0.9
157.03432	1.9
158.09431	0.5
158.99632	0.6
159.04994	9.2
161.02927	23.3
161.98849	0.6
162.03145	0.6
171.04991	27.7
172.05156	0.6
175.04489	3.6
177.06041	3.4
179.04013	0.7
184.04521	0.9
189.06046	16.0
194.06593	0.7
195.07043	2.5
201.06049	1.3
205.07996	0.5
219.07101	100.0
220.04553	0.5
220.07315	2.9
237.08119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1176
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01862	1.3
55.05505	1.0
56.01384	0.6
56.96548	0.6
57.07063	6.7
59.04992	5.4
60.78400	0.5
61.02910	1.1
64.81221	0.5
66.42164	0.4
67.05487	6.7
69.07059	6.0
70.02942	6.6
71.01344	0.9
71.08793	1.0
72.04507	14.8
73.02912	3.3
73.06563	0.6
74.02435	1.4
75.04470	1.7
76.04784	0.7
79.05469	0.7
80.50743	0.4
81.07047	1.4
83.04963	1.8
84.08098	0.5
85.06528	11.3
86.05986	0.5
86.09692	2.0
87.04450	0.6
87.08108	2.5
90.05540	100.0
91.30421	0.4
93.07004	0.6
95.04958	6.3
96.08109	2.5
98.02395	14.6
98.06039	1.0
100.03953	2.7
103.03951	1.4
103.07566	7.7
104.04273	1.7
105.07006	1.0
108.84464	0.5
112.07594	0.6
113.05978	3.6
116.03436	16.3
119.08568	0.7
121.06461	1.0
124.06651	0.9
124.07570	17.5
130.08673	0.6
131.07050	1.2
133.10086	0.6
134.10411	0.7
135.08087	0.5
142.08607	7.5
150.05476	0.7
156.10172	1.4
158.11729	2.3
159.02855	1.1
160.03242	2.9
160.09686	2.3
163.03938	0.6
164.86598	0.4
166.08604	1.8
174.11240	2.1
177.12759	1.3
184.09659	20.6
202.10713	28.8
204.14590	2.7
205.15874	5.5
206.13680	0.5
206.52525	0.5
206.98993	0.5
220.06001	0.7
220.11766	27.5
220.15538	1.1
220.17731	11.2
221.11807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1691
Annotation	Fabianine
Peak:m/z	Relative Intensity
71.24700	0.2
71.25014	0.3
98.21370	0.2
106.06603	0.2
118.06518	11.0
119.07309	0.3
120.08080	0.3
124.19777	0.2
132.08047	3.1
132.08939	0.3
133.08842	1.4
134.09599	1.0
144.08015	0.3
146.09579	2.8
152.04272	0.4
160.11192	0.5
161.12068	0.2
162.09113	6.6
172.11182	0.2
176.10733	4.6
176.14314	28.7
177.11462	1.5
177.14647	0.6
190.12227	3.1
191.13011	0.2
202.15775	1.1
204.13776	0.3
205.15855	0.4
220.16920	100.0
221.17236	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05506	0.5
57.07040	0.6
67.05461	1.0
69.03387	0.6
69.07031	0.7
70.06584	2.1
71.00761	1.5
74.02406	0.6
76.72000	0.5
79.05478	1.1
81.07014	1.3
82.02921	2.1
91.05440	1.8
93.06989	1.2
94.06561	2.9
95.08568	1.1
98.97539	0.5
103.05436	1.2
104.55978	0.5
105.07006	3.3
106.06510	1.1
107.08548	1.8
109.06508	0.7
109.10118	0.7
111.08024	1.5
115.05403	1.9
116.07076	2.1
118.06546	0.5
119.08536	1.8
120.08050	1.6
121.06496	2.6
122.56012	0.5
123.08030	0.8
130.06506	50.2
131.04910	0.9
131.06810	0.6
131.08504	0.5
132.04427	33.4
132.08038	0.9
133.06438	0.6
133.10089	2.3
134.05997	7.8
135.08009	1.2
135.11639	0.5
137.05928	0.6
142.80133	0.4
146.05978	2.3
147.04413	0.7
147.06339	1.9
147.08012	0.7
147.09125	1.1
147.11649	2.6
148.07550	4.9
149.42879	0.6
149.91707	0.5
151.07498	0.6
153.09105	0.6
157.07587	20.2
157.10078	1.2
158.05988	68.4
159.06560	1.9
159.11670	0.9
160.07547	3.6
161.05972	0.5
161.09538	0.9
162.05479	14.6
165.09138	0.6
175.08641	100.0
175.11150	3.7
176.07153	2.4
176.08858	2.4
179.10718	0.5
186.05487	5.6
193.12312	0.5
193.15903	0.5
203.08136	1.2
203.10623	0.5
204.04617	1.1
204.06529	19.6
205.06772	0.7
218.59041	0.4
221.04500	0.9
221.09224	21.6
221.11696	3.0
221.15309	1.1
221.18314	0.6
222.09564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60404	0.4
55.01853	0.7
55.05508	0.9
56.96558	9.4
57.03424	1.3
57.07054	0.5
60.95827	0.4
61.02913	1.3
64.47304	0.4
67.05510	0.7
69.03416	1.6
69.37868	1.2
69.38278	3.3
70.06560	0.8
70.98134	0.4
72.08125	0.7
73.02913	1.0
74.02428	1.4
81.07044	0.8
82.02926	2.3
83.04953	0.6
84.96046	0.5
85.02902	1.7
91.05466	0.6
93.07019	0.7
94.06548	4.5
95.01297	0.4
95.04956	0.7
97.02888	2.5
98.97569	11.7
103.00642	1.3
103.05451	1.0
104.04983	0.6
105.07007	0.8
107.08593	0.5
109.06459	0.5
109.10160	0.6
110.07141	0.5
110.77822	0.4
111.08083	1.0
112.99126	1.4
114.96071	0.5
115.05441	1.6
116.98602	8.8
118.03528	0.6
119.01855	1.9
120.08090	1.4
121.01663	3.7
121.06490	1.2
121.10091	0.5
128.02313	0.6
128.98578	1.4
130.06509	74.8
131.00098	2.1
131.01843	0.9
131.06850	1.2
132.04433	45.2
133.03435	0.5
133.04781	0.6
134.05983	0.9
134.99620	4.7
135.03214	2.1
135.11684	0.5
136.06139	2.6
137.05927	0.6
138.98750	0.5
139.02634	1.1
144.03452	0.4
145.01631	1.1
146.05989	0.7
146.99612	1.5
147.09140	1.0
148.07520	3.2
149.01207	1.8
157.07596	28.6
158.05995	83.3
158.99687	1.0
159.06386	2.2
161.01166	0.8
161.09537	0.8
162.05510	0.5
163.02673	1.7
163.03905	0.9
167.02289	0.6
173.04745	2.5
174.99062	0.6
175.02725	1.3
175.08649	100.0
176.07108	2.2
176.08969	1.6
177.00699	1.1
177.04175	0.5
178.04906	0.8
179.02232	1.9
180.97948	0.4
185.02768	0.6
185.07060	0.6
186.05547	3.0
186.96808	1.5
189.00711	0.7
191.05838	1.6
196.99402	0.5
197.01279	0.8
197.03307	1.5
198.02440	0.6
198.99120	0.9
203.08157	3.6
204.06506	4.7
204.97775	0.8
217.00153	2.4
221.03278	1.0
221.06911	9.1
221.09187	16.7
221.15289	0.6
222.09406	0.6
235.01164	0.7
237.02734	0.5
239.04210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01855	0.4
55.73014	0.3
55.95528	0.3
56.96562	2.4
57.07320	0.3
59.84728	0.4
60.19237	0.4
67.05508	0.5
69.03434	0.6
69.42415	0.3
69.62714	3.3
70.06577	0.8
71.25427	0.4
74.02434	1.0
75.13418	0.4
75.54924	0.3
82.02940	1.7
85.02878	0.7
91.05466	0.7
93.07029	0.5
94.06543	4.4
95.04961	0.4
98.97553	1.9
103.05458	0.6
104.04964	0.7
105.07035	0.7
107.08578	0.5
111.19613	0.4
112.92815	0.4
115.05415	1.2
116.07095	0.5
116.98676	0.9
119.08572	0.8
120.08047	1.1
121.06512	0.8
128.98553	0.3
130.06505	75.0
131.06848	1.1
132.04430	43.6
133.04808	0.8
133.10106	0.6
137.05988	0.4
146.05954	0.8
147.09184	0.6
148.07518	3.2
156.06754	0.7
157.06262	1.0
157.07590	36.3
158.05986	83.9
159.06316	2.1
162.05505	0.5
175.08638	100.0
176.07011	1.5
176.08989	1.6
177.00656	0.5
179.02150	0.5
185.07076	0.8
186.05457	2.4
203.08122	13.5
204.06563	4.4
221.04634	0.6
221.09180	19.5
222.09584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03929	3.5
55.01851	9.4
55.05501	30.4
57.07072	9.5
59.04985	2.0
67.05491	28.2
69.03420	67.7
69.07059	19.9
70.17899	4.4
70.18302	6.3
71.04959	6.3
71.21883	1.7
79.05482	40.2
81.07043	87.4
83.04970	43.0
83.08614	11.7
85.02878	4.1
85.06511	3.9
91.05470	22.7
93.07027	27.2
95.04935	16.5
95.08590	38.1
97.06502	4.0
97.10149	2.9
99.04406	3.1
99.07981	2.4
105.07010	33.3
107.04933	10.0
107.08578	28.8
109.06504	38.0
109.10139	50.3
110.07265	3.1
111.08047	28.8
115.05431	1.8
117.07004	8.0
119.04897	2.2
119.07735	3.2
119.08559	51.6
121.06505	10.3
121.10123	40.1
122.07259	4.0
123.08047	44.3
123.11696	4.9
125.09570	4.2
128.06174	2.6
131.08492	4.7
132.05605	2.2
133.06476	2.5
133.10120	30.1
135.08015	7.7
135.11673	14.6
137.05951	53.9
137.09587	41.1
138.10355	7.9
139.11156	4.5
142.07744	3.0
143.08543	5.9
145.10118	11.6
147.08025	14.4
147.11670	17.9
149.06001	2.1
149.09581	5.6
149.13258	1.9
151.07503	17.4
151.11171	6.2
151.14752	2.8
157.10085	2.6
159.08087	1.9
159.11638	6.0
160.08781	2.1
161.09589	9.8
161.13232	17.3
163.11150	26.0
164.21327	1.9
165.05476	2.0
165.09085	7.4
167.17667	2.0
175.07565	3.3
175.11174	5.0
175.14792	15.3
177.12718	5.6
179.10638	2.7
179.14226	2.9
179.48785	1.7
185.13268	5.1
192.15079	3.5
193.15848	21.1
199.96867	2.4
203.10687	1.8
203.14308	12.0
203.18013	2.6
221.04385	2.4
221.08025	3.1
221.11694	5.8
221.15327	100.0
221.18823	4.0
222.15662	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	221.1532
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01849	0.8
55.05498	5.2
57.07056	2.5
57.83805	0.7
67.05484	5.1
68.69377	0.8
69.07056	6.4
71.69408	1.0
72.11016	0.8
79.05482	3.8
81.07040	10.4
83.08600	2.7
85.02887	1.7
91.05453	7.6
93.07027	7.0
95.04957	1.8
95.08585	9.9
105.07002	21.0
107.08574	10.2
109.06487	3.3
109.10125	2.6
115.05392	1.4
117.06965	2.1
119.08558	55.1
119.39069	0.7
120.08853	1.0
121.06440	1.5
121.10117	4.5
123.08029	3.9
123.11674	1.0
131.04765	0.9
131.08516	3.4
133.06465	1.1
133.10107	34.5
135.08023	1.2
135.11661	4.4
137.05870	1.3
137.09576	2.1
142.07764	0.7
145.10100	4.6
146.10884	1.0
147.04349	2.6
147.07999	1.6
147.10564	1.4
147.11662	18.0
149.02328	0.9
149.13214	1.4
151.07510	4.6
151.11113	1.2
153.01913	0.9
157.10069	2.1
159.11719	0.9
160.12433	1.3
161.09567	1.3
161.13235	11.5
163.11101	0.9
165.09091	2.3
175.07486	0.9
175.14792	100.0
176.15132	3.0
177.16350	1.1
179.07005	1.1
179.14278	1.8
185.13245	2.3
193.04994	0.9
193.08528	1.5
193.15872	3.5
203.06874	0.8
203.10533	1.1
203.14314	4.1
203.17863	1.1
206.16180	2.5
221.04346	2.0
221.07892	1.2
221.11789	1.8
221.15331	40.9
221.17999	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	2.6
55.05497	12.1
57.03418	1.7
57.07058	2.5
59.04985	1.8
64.80157	1.0
65.00869	1.0
67.05490	14.3
69.07059	13.1
69.49276	2.3
69.49697	8.7
71.04974	24.1
79.05470	20.7
81.07040	71.0
83.08602	6.4
85.06473	1.3
88.67293	1.2
91.05455	13.7
93.06432	2.1
93.07027	42.0
95.04939	2.1
95.08588	40.2
97.06502	3.5
97.10137	3.0
99.08057	4.4
104.76884	1.1
105.07007	29.1
107.08573	62.5
109.06496	3.0
109.09406	1.9
109.10131	31.3
111.08057	2.5
113.09599	1.8
119.08555	47.5
119.09407	2.5
121.10111	12.3
123.08035	1.9
123.11681	18.2
125.09586	2.4
125.73169	1.1
127.11168	5.4
131.08604	1.4
133.10104	26.2
135.11667	100.0
136.12123	1.3
137.09610	3.5
137.13239	3.4
139.11101	1.4
145.10085	3.3
147.11652	25.3
149.13208	10.3
151.11205	2.6
161.13222	12.3
163.14812	5.2
165.12746	2.4
175.14812	6.5
177.16251	2.2
193.08511	1.2
203.06998	1.3
203.17911	37.0
221.15472	2.9
221.18953	54.8
222.19383	1.3
239.77298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.50698	1.8
53.03922	1.8
55.05497	20.7
56.96545	3.4
57.03422	4.2
57.07060	12.8
67.05133	3.1
67.05489	38.3
69.03397	2.3
69.07054	41.4
71.04985	3.9
71.68870	3.7
73.06525	2.1
79.05480	24.2
81.07037	87.9
83.04948	4.6
83.08608	17.0
85.06524	5.7
91.05446	21.2
93.07026	43.7
95.04961	7.6
95.08585	100.0
97.06523	10.1
97.10136	10.3
99.08075	4.9
99.22939	1.8
103.05446	4.2
105.07002	65.3
107.08571	60.3
109.06487	8.9
109.10136	81.7
111.08046	12.3
111.11695	5.1
115.05437	2.7
117.07024	3.3
119.06083	1.8
119.08556	62.9
121.06499	4.3
121.10117	34.5
123.08041	5.4
123.11676	33.3
125.09614	8.3
131.04874	2.5
131.08537	3.8
133.10098	41.5
135.11647	16.2
137.05948	5.6
137.09589	8.2
137.13249	8.0
139.11134	6.1
145.10103	9.2
147.08034	4.4
147.11655	64.8
149.13242	11.9
151.11162	7.9
157.10118	3.1
159.11667	4.6
161.06003	2.8
161.09619	3.9
161.13234	31.7
163.07483	2.7
163.11092	3.0
163.14774	21.7
165.12682	10.2
175.11113	2.8
175.14781	13.9
177.16374	10.1
179.10643	3.9
191.17885	5.0
203.07004	2.7
203.14488	4.8
203.17905	74.0
206.10777	3.0
206.16205	7.1
221.04427	4.9
221.07965	6.5
221.11703	7.8
221.13467	3.9
221.15649	12.4
221.18965	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1324
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03933	6.6
55.01846	8.6
55.05492	12.2
55.79367	3.6
57.03429	8.8
57.07062	6.2
59.05001	9.7
67.05491	21.4
69.03416	25.5
69.07052	10.5
70.82218	4.2
70.82574	12.4
71.04965	6.2
73.99976	4.0
78.88536	4.9
79.05458	16.2
81.03402	4.5
81.07030	20.0
83.04951	34.0
83.08571	5.0
85.06528	3.6
91.05460	51.1
93.07027	98.8
95.04941	34.1
95.08576	17.7
97.06493	8.0
99.04461	4.7
103.05460	9.0
105.03366	3.9
105.07008	47.8
107.04906	10.2
107.08566	45.8
109.06499	28.7
109.10130	11.0
111.08068	7.9
117.06979	13.0
119.08551	25.6
121.06488	100.0
121.10128	32.5
123.04418	5.7
123.08030	13.8
129.06982	9.2
131.08540	15.7
133.06497	3.8
133.10120	10.9
135.04369	5.0
135.08015	19.3
135.11644	14.5
137.05956	6.7
137.09631	15.8
139.03906	4.2
139.07501	18.0
144.09329	4.5
145.06480	8.0
145.10063	19.6
147.08043	10.6
147.11624	8.5
149.02280	11.7
149.05891	9.6
149.09581	46.9
149.13260	9.9
153.09074	11.7
157.10104	6.6
158.07162	4.4
159.08009	5.6
159.11652	32.9
161.09598	14.7
163.03850	7.2
163.07495	10.0
163.11153	24.1
165.09047	7.6
167.06985	10.4
172.08800	6.5
175.11183	20.8
177.09077	4.0
177.12737	32.2
178.08627	4.6
179.10638	13.4
187.11195	21.8
193.12222	4.0
205.04860	4.7
205.12178	40.9
223.06003	10.1
223.07893	9.9
223.11235	6.1
223.13199	66.8
223.16772	4.9
225.04294	22.3
227.02148	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	225.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	20.9
63.70323	1.2
68.76175	1.1
69.81015	6.9
71.95242	1.9
75.42989	1.0
82.99844	1.4
84.96021	23.7
91.27612	0.9
98.97563	19.6
101.00851	11.8
102.97029	2.7
112.81888	1.1
116.98608	19.5
119.01900	71.3
120.01999	2.7
120.98065	1.7
124.02440	1.5
128.36581	1.0
128.98611	1.4
130.93301	1.3
134.99655	15.4
137.02930	31.7
142.03452	10.7
144.50488	1.1
146.99559	1.0
153.00845	3.8
155.00122	1.5
158.01288	1.0
158.99847	4.5
160.04546	4.3
161.02911	1.5
173.01233	3.2
175.03014	1.3
177.00925	100.0
178.01028	7.8
179.00706	2.8
179.04025	2.2
179.49425	3.6
182.99666	6.4
183.01180	1.5
187.99277	2.2
188.49922	1.0
190.95313	1.2
191.00229	2.1
192.98729	1.7
193.00365	1.0
193.04059	2.0
195.02098	1.6
199.50023	7.1
199.95963	1.2
200.00119	2.8
200.02486	2.4
201.00711	21.1
201.02434	3.0
202.02608	1.7
202.05624	1.8
217.04025	9.0
219.01956	84.9
220.02112	10.6
221.01753	1.8
225.00894	3.7
225.09517	1.1
230.93472	1.4
242.03639	2.7
242.99533	2.1
243.01814	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	10.7
56.96822	1.1
63.68338	0.5
71.19997	1.3
71.95273	0.8
82.99882	1.1
84.96022	14.4
91.05482	0.6
95.08611	0.9
98.97564	8.7
99.04445	1.0
101.00852	7.5
101.07043	0.6
102.97054	2.2
105.03378	1.1
107.04932	0.8
107.08585	0.9
116.98602	8.4
119.01899	60.2
119.08624	0.7
120.02013	2.9
120.98076	1.0
123.08070	1.1
125.02350	0.8
130.70113	0.7
134.99695	10.3
137.02925	22.9
140.98769	1.0
142.03468	4.8
143.78709	0.6
153.00864	4.3
155.00066	1.0
157.03381	0.9
158.01231	0.7
158.99808	4.1
160.04539	3.4
161.02937	1.4
173.01216	2.8
175.02925	1.3
176.02377	0.9
177.00928	100.0
178.01016	9.4
179.00700	2.1
179.03981	2.1
182.99675	5.6
183.06108	0.9
184.02284	0.7
184.04404	0.9
193.04066	1.7
195.01985	2.7
197.01469	0.8
200.02528	2.4
201.00732	16.7
201.02480	3.4
202.00912	1.2
202.02678	1.9
202.05475	1.5
202.98752	0.8
212.57899	0.8
217.04047	11.2
218.03824	1.0
219.01956	92.0
220.02043	16.3
221.01779	2.9
224.02216	0.8
225.00513	3.7
225.04279	1.5
226.05469	0.6
242.03494	3.6
243.01881	14.5
244.02179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1269
Annotation	Navenone B
Peak:m/z	Relative Intensity
51.02382	0.3
53.03915	0.7
54.05456	0.3
55.01864	3.3
55.05488	1.4
56.86178	0.3
57.03419	0.3
58.17181	0.2
61.30275	0.2
65.03905	0.4
67.05491	3.2
69.03410	0.9
69.07030	0.7
69.62540	0.2
71.68955	0.5
71.69363	0.3
79.05475	2.4
81.03404	6.6
81.07029	1.2
91.05466	5.5
91.06033	0.4
93.07034	1.8
95.04951	3.3
103.05458	0.3
105.04552	0.2
105.07008	3.0
107.04935	0.6
107.08578	0.4
109.06517	0.5
111.45879	0.2
115.05410	2.3
117.07001	2.2
119.08603	1.5
121.06474	1.1
128.06218	2.6
129.06982	4.7
131.04916	3.3
131.08530	1.9
133.06442	0.9
141.05891	0.5
141.06966	8.9
142.07774	2.4
143.08545	4.2
145.06459	9.7
147.07999	1.0
152.06163	1.1
153.06953	6.7
153.08118	0.5
154.07739	3.7
155.04932	0.6
155.08528	19.0
156.09340	3.4
157.06473	2.9
157.10104	3.6
159.08037	1.7
165.06967	7.3
165.08376	0.3
166.07759	3.8
167.08534	17.9
168.05692	1.2
168.09312	5.9
169.06467	9.8
169.10101	15.6
170.07224	1.2
170.10371	0.4
171.08025	5.8
177.07054	0.3
178.07751	2.7
179.08531	7.2
180.09290	1.7
181.06470	4.5
181.10075	11.7
182.07309	4.3
182.10875	22.1
183.08029	18.7
183.11627	7.1
184.08807	3.6
184.11984	0.4
191.08511	3.6
192.09297	13.0
193.09972	0.7
195.08023	13.4
195.11649	3.5
196.08781	6.6
196.12447	1.0
197.09584	10.6
197.13225	18.0
198.09900	0.3
198.13557	0.4
207.08296	0.6
207.11655	19.9
208.12027	0.6
209.09563	2.3
210.06889	0.7
210.10359	16.6
211.10635	0.6
223.11159	0.6
225.09058	5.0
225.12698	100.0
226.13020	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.148
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.40713	1.5
53.03934	3.8
55.01850	3.7
55.05503	18.9
57.03432	5.3
57.07060	4.5
59.05007	1.9
65.03929	4.2
67.05495	16.0
69.03415	25.6
69.07054	7.9
69.36611	7.2
69.37042	9.5
70.06568	4.0
71.04984	13.1
72.08136	2.0
79.05480	19.0
81.03406	6.8
81.07047	26.2
83.04958	24.8
83.08580	3.3
85.02889	3.6
85.06532	6.3
91.05461	33.5
93.07027	30.3
95.04948	25.8
95.08587	25.6
97.06516	20.3
99.04441	13.5
99.08051	2.9
101.06017	3.0
103.05447	2.7
105.03374	2.9
105.06332	3.2
105.07013	54.1
106.07307	2.0
107.04934	7.1
107.08576	42.4
109.06500	20.5
109.10137	14.8
111.04440	3.3
111.08052	8.1
115.05468	2.9
116.06247	1.5
117.07011	6.9
118.04095	1.8
119.04924	10.8
119.08557	55.0
121.06492	11.0
121.10107	23.9
123.04412	1.7
123.08040	20.4
123.11683	5.3
125.05977	5.4
125.09608	39.0
126.81230	1.7
129.06970	2.1
131.07616	2.8
131.08539	19.2
133.06456	5.9
133.10107	16.4
135.08028	100.0
135.11674	6.7
137.05992	1.8
137.09586	18.2
137.13280	2.6
139.07533	3.1
141.06931	2.0
141.09055	2.9
143.08553	5.7
143.56354	1.5
145.06410	2.6
145.10123	9.8
147.04398	8.7
147.07997	9.4
147.11673	38.9
149.09592	36.2
149.13257	5.0
151.03920	2.1
151.07524	6.3
151.11183	2.2
153.06725	1.5
153.09183	1.7
156.09332	2.6
159.11699	6.1
160.08780	2.2
161.09543	8.1
161.13234	21.9
163.11156	12.8
165.09111	7.4
165.12747	10.6
167.10648	8.3
169.08641	3.2
171.11653	6.9
175.03908	10.2
177.12688	14.7
179.14268	5.6
189.09160	1.6
189.12711	23.1
192.04211	3.7
195.13795	6.5
197.05946	2.0
207.06462	12.3
207.11804	2.8
207.13754	42.1
208.14130	1.9
225.05495	3.1
225.12709	3.5
225.14780	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03934	4.8
55.01847	7.3
55.05500	24.3
57.03411	6.2
57.07072	3.0
58.04927	2.0
65.03903	2.5
67.05492	23.0
67.99038	2.0
69.03417	23.1
69.07047	16.0
69.52631	9.2
69.53062	8.3
71.04964	8.9
77.03924	2.3
79.05466	27.1
81.06602	3.6
81.07037	34.2
83.04962	12.6
83.08591	4.7
85.02871	2.9
85.06511	4.1
87.13758	2.4
91.05452	39.8
93.07024	85.4
95.04959	10.6
95.08587	39.3
97.06522	12.0
99.04422	10.6
99.08049	5.8
105.03333	5.8
105.07009	56.6
106.07770	2.6
107.04923	7.3
107.08572	100.0
108.05733	2.1
109.06477	24.1
109.10146	24.5
111.08070	5.2
117.06964	10.5
119.04874	2.7
119.08556	65.8
121.06483	41.1
121.09253	4.8
121.10117	73.7
122.07206	2.7
123.04366	3.2
123.08040	83.9
123.11649	7.4
125.05917	2.3
125.09612	2.8
128.06212	4.1
129.06960	3.9
130.07758	4.1
131.08531	10.3
132.05661	2.9
133.06508	4.5
133.10112	17.8
135.08022	87.8
135.11664	52.7
137.09587	52.9
139.07533	3.2
139.11113	3.3
141.06943	2.4
143.08569	4.4
145.06441	4.4
145.10112	13.8
147.08012	41.7
147.11668	19.8
149.09575	24.3
151.07506	10.9
151.11166	6.4
153.09096	3.1
153.12709	3.7
156.09332	4.5
159.07965	2.9
159.11613	5.1
160.08815	3.6
161.09598	7.5
161.13226	22.2
163.11159	32.9
165.09087	81.4
165.12726	7.1
167.07004	21.5
167.10674	6.3
169.06407	2.6
171.11659	7.1
174.10304	4.2
175.03828	2.7
177.11366	2.4
177.12659	14.3
179.10646	7.9
179.14247	4.0
181.12192	35.1
189.09113	4.3
189.12720	20.8
207.06436	4.0
207.09949	2.9
207.11993	3.3
207.13786	24.8
225.14688	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01862	6.6
55.05495	14.3
57.03426	11.8
59.04990	4.7
65.03914	5.4
67.05508	19.1
69.03393	19.0
69.07044	10.8
70.86251	8.9
71.04973	19.4
79.05492	38.6
81.03405	4.9
81.07037	38.0
83.04964	25.8
85.06528	11.6
91.05465	61.3
93.07028	70.8
95.04962	29.4
95.08591	31.5
97.06497	14.4
98.68272	3.6
99.04424	28.3
99.08087	6.4
102.05222	4.0
105.07014	100.0
107.04921	13.1
107.08584	87.6
109.06503	42.4
109.10125	19.8
111.04375	4.3
111.08058	11.4
117.06969	11.1
119.08563	88.4
121.06467	17.6
121.10124	66.0
123.08030	23.6
123.11674	6.1
125.05943	5.5
125.09594	28.4
129.06963	11.7
131.08549	83.0
133.06512	6.8
133.10098	24.1
135.08026	38.5
135.11652	11.3
137.09587	38.1
139.07553	4.9
141.06937	3.8
143.08511	18.6
143.55884	3.9
145.10115	23.3
147.08014	17.0
147.11661	83.6
149.09599	89.8
149.13229	6.6
151.07483	6.3
153.09085	4.3
156.09323	9.2
159.11649	27.8
161.09584	4.0
161.13222	46.4
163.11166	9.5
165.09119	5.7
165.12737	16.0
167.10654	26.4
171.11679	30.0
171.31764	4.0
175.03830	5.1
177.12737	37.2
179.14188	6.4
189.12708	51.1
195.13747	10.7
207.06488	5.1
207.13760	63.9
225.12740	5.8
225.14832	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	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.04193	1.0
53.03928	2.2
55.01872	1.3
55.05502	7.4
57.03426	1.9
57.07062	1.7
59.04993	11.2
59.53296	1.2
67.05498	10.0
69.03423	15.3
69.07056	10.3
69.54977	4.3
69.55415	5.8
71.04974	1.8
79.05490	13.8
81.03413	1.3
81.07043	18.0
83.04967	10.9
83.08597	2.4
87.04460	12.0
91.05480	17.6
93.07035	45.3
95.04962	6.0
95.08601	15.6
97.06506	6.1
97.10143	1.7
101.06036	2.1
105.07016	39.1
107.04932	1.2
107.08582	29.5
109.06506	10.4
109.10136	7.4
111.08047	5.9
117.07000	3.9
119.04932	2.8
119.08561	22.4
121.06509	2.4
121.10123	7.3
122.20573	1.2
123.08043	14.2
123.11687	2.5
125.09576	1.1
128.06210	1.8
129.07018	2.8
131.08516	4.0
133.06505	5.2
133.10118	10.1
135.08081	2.2
135.11682	1.9
137.05960	2.9
137.09546	3.0
139.07535	1.3
139.11151	4.6
141.06958	1.4
141.09087	2.5
143.08549	4.5
145.10103	4.1
147.08002	6.3
147.11655	14.1
149.09604	4.4
150.14687	1.2
151.07500	3.4
151.11163	100.0
156.09325	5.6
159.08092	1.5
159.11699	4.7
161.09616	5.2
161.13243	18.5
163.11176	1.8
165.12704	1.6
171.11633	5.9
174.10411	2.2
177.12679	3.6
179.14314	2.4
189.12749	17.2
207.13786	98.6
208.14105	2.0
225.14818	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03936	2.7
55.01864	2.5
55.05277	2.6
55.05504	19.1
56.43388	2.5
57.03399	3.0
59.64755	2.4
65.48483	2.6
67.05499	16.4
67.43869	2.2
69.03404	18.5
69.07050	11.4
71.04972	7.3
71.32342	6.2
79.05484	30.3
80.91476	2.8
81.03416	4.3
81.07037	27.0
81.29263	2.5
83.04967	11.5
83.08584	3.6
83.09061	2.6
85.06512	6.2
91.05468	33.5
92.04652	2.4
92.92457	2.3
93.07030	97.3
95.04966	13.8
95.08582	28.9
96.25621	2.7
97.06514	10.6
99.04439	9.1
99.08060	3.4
105.07016	48.2
107.04945	5.8
107.08578	100.0
109.06512	25.2
109.09509	2.9
109.10149	14.3
111.08052	6.9
117.06990	8.1
119.04925	3.3
119.08558	54.6
121.06480	26.5
121.10126	84.1
122.07267	3.1
123.04427	4.0
123.08051	54.5
123.11707	5.7
125.05982	7.6
125.09612	3.1
130.07681	4.3
131.08549	9.8
131.38121	2.7
133.06487	3.4
133.10072	17.9
135.08041	58.1
135.11681	60.7
137.09595	43.1
137.13301	2.7
143.08553	4.7
145.10120	19.6
147.08022	15.3
147.11658	17.8
149.09592	29.2
149.13216	4.4
151.07520	11.0
151.11134	8.6
156.09320	3.0
159.10487	2.4
159.11702	11.5
161.09642	5.2
161.13277	13.8
163.09810	3.5
163.11156	37.7
165.09094	44.3
165.12735	9.0
166.05046	2.4
167.10667	15.8
171.11665	7.7
173.60081	2.4
177.12740	16.6
179.07108	3.0
179.10745	3.0
181.08705	3.1
181.12209	51.6
189.12759	13.7
207.06610	3.0
207.13718	21.9
225.14865	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	226.9714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01844	2.7
55.05492	4.2
55.23831	1.9
56.57923	1.8
56.96295	2.8
56.96555	27.5
57.03419	7.6
58.06551	3.0
58.99843	2.8
61.02918	11.5
69.03427	11.9
69.07064	2.0
70.06576	6.4
70.37331	8.9
71.04990	4.2
73.02895	6.8
74.06046	3.8
79.05441	3.0
81.03410	9.9
83.08601	2.5
84.04494	5.0
84.08125	30.6
84.95992	2.4
85.02897	13.2
86.99297	2.2
88.94519	2.2
94.92997	20.2
95.01917	2.7
97.02877	17.2
98.97565	15.6
99.04417	2.0
101.00859	13.7
103.02436	2.7
105.00346	4.5
108.08084	3.6
109.02854	10.1
110.97524	3.7
111.02822	2.1
112.99101	2.9
115.02421	3.9
116.07069	6.0
116.98586	8.2
119.01897	63.7
120.02065	2.3
124.07482	2.4
127.02427	3.0
128.98573	3.3
129.03949	2.8
131.00143	6.9
131.01855	15.4
133.03400	6.0
134.99600	3.7
135.05063	2.2
137.02924	17.4
138.05441	3.8
143.01076	4.2
143.01985	4.4
143.54358	2.3
144.69400	2.3
144.99759	3.2
145.03447	33.8
146.03786	2.7
146.04932	10.4
146.99622	5.6
147.01297	4.4
147.04984	9.3
149.01190	9.2
149.02922	4.4
150.95560	100.0
152.07077	5.2
155.05508	15.0
155.55589	3.3
157.03438	11.6
158.01262	3.9
158.99612	4.1
159.05000	5.6
160.02251	2.9
161.02942	10.9
161.05560	3.9
163.04474	12.0
165.06003	5.0
166.56317	4.8
166.95030	3.6
167.01901	4.1
167.06996	4.7
169.03439	21.3
170.01665	5.2
171.04967	3.9
173.02916	8.2
175.02824	2.2
175.04405	4.1
176.02441	2.4
177.00714	2.9
177.02412	2.3
178.04901	3.4
179.02242	4.1
180.96613	8.6
181.03436	4.2
181.09572	2.9
183.01450	2.4
185.01430	2.4
185.02899	13.8
187.04495	34.3
189.06076	3.1
191.02232	3.1
197.02931	8.6
199.04475	3.4
201.06094	2.8
203.03951	8.9
208.96153	13.6
209.02937	2.4
215.03943	3.2
222.02954	2.2
222.05206	2.3
226.97150	24.3
227.04016	12.8
227.10287	3.1
227.13979	7.2
245.05121	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	227.0909
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.91913	0.5
53.03923	1.8
54.52591	0.6
55.01860	5.9
55.05493	2.0
65.03935	8.4
67.05492	4.2
69.03419	1.1
69.07041	1.6
70.06561	0.8
71.19637	1.5
73.02905	38.9
79.05470	1.5
81.03411	1.2
81.07037	1.0
82.04187	2.6
82.91944	0.5
83.04992	0.9
83.08606	0.9
85.02549	0.4
85.02892	4.6
91.03943	1.3
91.05453	2.9
93.03400	1.8
93.07022	2.0
95.04951	7.3
95.08582	1.4
97.02867	0.6
97.06515	3.0
99.04412	0.9
100.11234	4.8
103.05461	0.9
105.07004	0.9
106.04130	0.6
107.04919	2.1
107.08548	1.8
108.02092	0.9
109.06486	0.7
109.10168	0.7
110.03636	3.7
111.04429	2.0
118.72684	0.6
121.06475	2.5
121.10132	1.1
123.00775	0.6
123.04410	8.6
123.08080	0.7
124.05137	0.8
124.36951	0.6
125.02351	3.6
125.05990	2.7
125.09588	1.4
129.05408	0.7
133.10083	0.8
137.09612	0.8
138.03088	2.0
140.04659	51.7
141.04890	0.7
142.02589	2.6
149.05960	1.1
153.05438	2.1
153.07013	0.5
155.06999	53.9
166.06238	1.6
167.07018	21.3
168.07358	0.6
171.06493	5.8
171.07813	0.8
173.08054	4.3
177.05382	1.3
179.07042	3.0
181.04930	100.0
182.05276	2.1
204.60846	0.6
209.08063	18.4
209.15260	0.6
227.07010	2.0
227.09052	11.5
227.17708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91913	0.5
53.03923	1.8
54.52591	0.6
55.01860	5.9
55.05493	2.0
65.03935	8.4
67.05492	4.2
69.03419	1.1
69.07041	1.6
70.06561	0.8
71.19637	1.5
73.02905	38.9
79.05470	1.5
81.03411	1.2
81.07037	1.0
82.04187	2.6
82.91944	0.5
83.04992	0.9
83.08606	0.9
85.02549	0.4
85.02892	4.6
91.03943	1.3
91.05453	2.9
93.03400	1.8
93.07022	2.0
95.04951	7.3
95.08582	1.4
97.02867	0.6
97.06515	3.0
99.04412	0.9
100.11234	4.8
103.05461	0.9
105.07004	0.9
106.04130	0.6
107.04919	2.1
107.08548	1.8
108.02092	0.9
109.06486	0.7
109.10168	0.7
110.03636	3.7
111.04429	2.0
118.72684	0.6
121.06475	2.5
121.10132	1.1
123.00775	0.6
123.04410	8.6
123.08080	0.7
124.05137	0.8
124.36951	0.6
125.02351	3.6
125.05990	2.7
125.09588	1.4
129.05408	0.7
133.10083	0.8
137.09612	0.8
138.03088	2.0
140.04659	51.7
141.04890	0.7
142.02589	2.6
149.05960	1.1
153.05438	2.1
153.07013	0.5
155.06999	53.9
166.06238	1.6
167.07018	21.3
168.07358	0.6
171.06493	5.8
171.07813	0.8
173.08054	4.3
177.05382	1.3
179.07042	3.0
181.04930	100.0
182.05276	2.1
204.60846	0.6
209.08063	18.4
209.15260	0.6
227.07010	2.0
227.09052	11.5
227.17708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1273
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.00286	1.1
53.03929	3.1
53.19817	1.1
53.47827	1.0
54.55626	1.1
55.01847	3.2
55.05496	5.4
56.96535	1.3
57.03420	2.4
57.07050	5.3
61.34159	1.1
64.47755	1.3
65.03925	2.3
67.05498	26.1
68.99776	1.1
69.03385	2.1
69.07048	5.7
69.75104	8.0
71.04980	17.3
73.02915	5.6
79.05481	27.2
81.07033	6.7
83.04966	7.4
83.08628	2.1
85.06527	100.0
86.09679	3.2
87.04419	1.3
87.52625	1.0
91.05459	17.8
93.07028	25.9
95.04955	11.9
95.08568	3.5
97.06512	7.0
99.04398	3.2
99.08047	5.2
100.11258	6.4
103.05476	1.9
105.07013	20.6
107.04943	10.5
107.08576	29.0
109.02888	1.4
109.06483	5.5
109.10152	1.4
111.04411	12.4
117.06981	8.2
119.08556	17.2
121.06473	13.8
121.10115	22.1
123.04403	4.2
123.08007	3.2
125.04304	1.3
125.05952	8.8
125.09605	1.3
128.06178	1.9
129.07008	7.7
130.07755	1.7
131.08543	66.5
133.06349	1.3
133.10056	2.6
135.04433	1.2
135.08002	3.8
135.11650	6.9
137.05920	2.6
137.09592	7.1
139.03897	2.1
139.07541	2.1
140.04634	6.7
141.05446	1.3
143.07011	1.4
143.08510	2.0
145.10097	30.3
147.07936	5.9
147.11661	1.4
149.05963	2.8
149.09595	64.5
150.09972	2.2
151.03830	1.3
153.05421	4.2
153.07002	1.2
153.09058	1.9
155.06984	8.5
155.08241	1.7
156.77130	1.2
163.07472	2.6
163.11163	25.5
165.09108	9.1
167.06993	3.7
167.10643	32.5
171.08156	1.7
173.09570	7.5
173.13322	1.3
179.10628	2.8
181.04936	13.0
183.03114	2.4
191.10638	54.5
191.14304	1.8
197.01308	1.2
197.11703	2.1
199.07515	1.6
209.08218	3.2
209.11688	47.4
227.07016	5.0
227.12743	17.9
227.16110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1636
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03943	5.3
55.01861	5.5
55.05496	30.9
56.96546	3.9
57.03425	6.0
57.07067	11.3
59.04991	4.2
60.90464	3.0
67.05494	39.4
69.03416	31.7
69.07059	45.5
71.04977	54.4
71.08646	3.4
71.70466	3.5
78.88612	3.4
79.05482	43.6
81.03391	12.2
81.07041	100.0
83.04968	24.0
83.08606	21.8
85.06535	13.9
86.09692	17.1
87.04477	6.6
91.05476	25.9
93.07034	44.7
94.14160	3.1
95.04954	26.8
95.08596	53.6
97.06509	20.0
97.10160	20.4
99.04440	63.6
99.08098	18.9
100.11236	26.4
105.07005	32.3
107.04953	8.9
107.08572	98.9
109.06484	16.1
109.10133	50.7
111.08109	17.5
115.03902	4.2
115.07549	9.7
117.07022	6.0
119.08575	17.8
121.06499	12.7
121.10126	43.0
123.08058	20.4
123.11670	28.2
125.05981	4.6
125.09593	27.6
129.06984	5.2
129.09088	5.0
131.08543	14.4
133.10103	31.8
135.08003	23.1
135.11679	14.4
137.09589	12.1
139.11145	5.1
142.07747	4.0
142.55139	3.1
143.08559	8.5
143.10687	6.1
145.10106	6.4
147.11700	15.9
149.09570	19.0
149.13223	21.5
151.11151	22.5
153.06863	3.3
153.09081	10.7
157.10085	7.8
163.14818	22.0
165.12759	16.5
167.07053	15.2
167.10658	4.2
169.08652	3.9
169.12213	4.4
171.08052	4.3
171.10217	4.1
171.11592	4.9
173.13234	26.8
183.13795	6.6
185.09596	5.2
191.14270	28.8
199.07587	7.2
209.13522	4.2
209.15149	18.4
227.07100	11.6
227.10522	7.8
227.14235	10.3
227.16388	17.2
227.17966	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	227.1637
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.09327	1.0
55.01848	1.2
55.05497	6.2
57.03425	6.8
57.07051	3.0
59.04967	2.0
63.24384	1.0
65.03912	0.9
67.05498	5.3
69.03414	2.8
69.07051	6.1
69.84087	6.8
71.04976	14.8
73.02918	1.0
75.04453	2.0
79.05490	6.4
81.07051	8.5
82.67429	1.0
83.04961	3.2
83.08599	4.2
85.06523	4.2
86.09692	2.2
91.05453	5.4
93.07032	10.3
95.04951	100.0
95.08583	9.8
97.06515	15.5
97.10154	1.8
99.04435	23.0
99.08073	15.7
100.11249	7.1
100.82679	1.0
105.07031	7.0
107.08562	12.1
109.06494	14.4
109.10140	10.3
111.08048	2.4
113.05980	1.3
115.07548	4.7
119.08557	4.6
121.06514	1.8
121.10117	10.3
123.04364	1.8
123.08022	2.4
123.11669	3.9
124.03904	1.1
125.09613	3.8
127.07529	6.4
129.06972	1.9
131.08530	3.9
133.09171	2.0
133.10107	22.5
134.35558	1.1
135.08047	3.3
135.11646	1.9
137.09586	2.0
139.11131	8.5
140.04697	1.3
143.08554	2.2
145.10126	1.7
147.11673	1.8
149.09578	1.7
149.13243	5.9
151.11147	4.1
153.07124	1.3
153.09073	30.1
153.12686	1.7
157.10081	2.1
158.10855	1.9
163.14789	3.5
165.07027	1.0
165.12694	1.4
167.06981	5.2
167.14279	1.0
169.10056	1.3
169.12169	1.0
171.10155	4.5
171.11595	2.2
173.13274	9.3
182.15414	3.6
183.13747	1.5
191.14249	9.7
209.11609	1.3
209.15263	17.3
210.14911	3.8
227.07051	4.3
227.10660	1.7
227.14198	2.6
227.16093	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76605	2.9
53.03948	3.9
55.01860	5.0
55.05504	28.4
56.96558	3.6
57.03422	8.0
57.07067	7.0
59.05001	3.9
62.21288	2.7
65.03947	3.4
67.05498	20.6
69.03424	14.0
69.07047	20.6
69.75603	21.1
71.04983	49.0
72.08152	5.9
79.05489	15.9
81.03397	3.6
81.07044	28.9
83.04977	9.6
83.08611	16.7
85.06516	14.6
91.05463	12.7
93.07032	28.7
95.04334	5.1
95.04950	100.0
95.08593	24.7
97.06512	27.9
97.10151	7.9
99.04446	74.0
99.08072	23.3
100.11241	54.5
105.07005	18.6
107.08569	42.3
108.07903	3.1
108.15566	3.1
109.06495	14.6
109.10135	18.5
111.04430	5.6
111.08041	6.6
113.09612	5.3
115.07588	4.5
117.06960	3.6
119.08575	12.7
121.06523	5.4
121.10104	27.4
123.04417	3.6
123.08055	11.5
123.11691	12.0
125.09596	22.0
127.07525	7.0
131.08528	11.2
133.10107	40.9
133.22394	2.9
135.08031	9.2
135.11662	8.1
137.05952	3.4
139.11145	14.3
141.11478	5.8
143.08505	6.3
143.10683	7.5
145.10141	6.4
147.11671	3.8
149.09590	10.2
149.13245	12.4
151.11192	7.3
153.06880	3.8
153.09087	30.3
155.08533	5.1
156.09270	3.4
157.06465	6.0
157.10085	8.7
163.07401	3.3
163.11165	4.9
163.14793	8.9
166.07813	3.6
167.07063	18.4
169.12183	5.6
171.10156	18.7
171.11606	5.9
173.13264	15.4
177.05467	3.1
181.04959	6.5
181.06444	7.3
181.15939	3.0
182.15408	4.9
183.13779	6.8
185.09584	5.6
185.13268	4.2
191.14301	19.5
199.07558	8.4
199.17943	4.6
202.88771	3.1
209.05995	4.9
209.07950	3.6
209.15166	20.4
213.17601	3.7
227.06909	26.5
227.10501	6.7
227.14279	7.4
227.16080	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03920	3.0
55.05503	30.7
57.03420	4.9
57.07051	8.3
67.05491	34.9
69.03405	16.3
69.07049	27.0
69.76807	24.8
71.04974	18.8
72.05373	3.5
79.05460	16.5
81.07040	47.2
83.04970	16.2
83.08602	9.7
84.67668	3.3
85.06527	13.2
86.91719	3.4
91.05453	22.5
93.07024	55.3
95.04950	10.4
95.08583	45.1
97.06500	18.3
97.10160	4.8
99.04469	4.6
99.08088	8.1
100.11243	12.4
105.07011	41.9
107.08572	100.0
109.06497	23.8
109.10147	46.0
111.08066	10.2
117.06915	4.0
119.08555	27.5
121.06505	11.9
121.10114	63.9
123.08051	22.8
123.11671	17.6
125.09619	6.0
127.11178	8.5
131.08539	30.9
133.10112	51.6
135.07999	19.3
135.11668	12.2
137.09579	33.0
137.13222	10.2
138.43730	3.8
139.11189	10.6
143.08514	4.9
145.10103	11.8
147.11681	19.9
149.09586	90.5
149.13226	41.6
151.11179	35.6
153.09076	4.4
158.10873	3.4
161.13266	10.3
163.11234	4.3
163.14778	29.0
165.12691	8.4
167.10669	13.4
173.13217	43.8
179.14281	6.4
191.14296	43.8
209.15295	33.0
227.16408	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03930	6.8
55.01856	6.2
55.05498	33.2
57.03418	4.7
57.07058	7.6
59.04993	3.9
65.03954	2.3
67.05494	37.6
69.03417	43.8
69.07056	46.0
69.98896	12.8
71.04982	42.1
79.05480	53.1
81.03399	13.5
81.07044	75.6
83.04963	25.6
83.08603	20.0
85.06520	11.9
87.04436	2.3
88.20211	2.0
91.05470	23.6
93.06446	2.6
93.07030	52.9
95.04946	24.8
95.08593	52.8
95.09616	2.0
97.06514	68.7
97.10164	18.8
97.63095	2.5
99.04459	13.5
99.08065	7.4
100.11236	9.9
101.05973	1.9
105.07014	27.9
107.04945	12.0
107.05619	2.3
107.08581	100.0
108.08887	3.2
109.06503	26.7
109.10139	45.4
110.10532	2.3
110.31369	2.1
111.08070	21.4
115.07565	10.7
117.06995	7.3
119.08549	12.6
121.06505	16.7
121.10123	48.9
123.08045	15.1
123.11700	16.7
124.13703	1.9
125.05973	2.3
125.09618	34.6
129.07004	2.6
129.09068	5.2
131.08559	15.0
133.10094	21.1
135.08017	24.5
135.11656	12.8
137.09604	16.3
139.07491	3.0
139.11160	3.3
143.08496	4.3
143.10680	8.0
144.74568	2.2
145.10112	8.2
147.11647	18.1
149.09610	14.2
149.13254	19.4
151.11156	30.1
153.09070	7.5
157.10129	2.2
158.10870	5.2
161.13257	4.8
163.14787	26.4
165.12727	12.6
167.07004	12.7
167.10675	5.3
173.13231	29.8
177.05504	2.7
191.14276	41.3
209.08031	3.0
209.15303	21.5
219.28787	2.2
227.06976	5.1
227.16162	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.79791	0.4
53.03938	0.6
55.01853	1.7
55.05500	3.4
57.03418	0.9
57.07062	1.0
63.10913	0.5
67.05492	4.9
69.03412	2.2
69.07057	5.7
70.31689	0.5
70.70004	0.8
70.70357	1.3
71.04966	1.8
79.05475	6.0
80.52528	0.5
81.07044	6.4
83.04953	1.3
83.08604	2.0
85.06532	2.2
91.05457	3.7
93.07034	8.5
95.04939	2.1
95.08585	6.8
97.06515	100.0
98.06861	0.8
99.04432	1.5
99.08065	1.6
100.11231	3.8
103.05462	0.6
105.03356	0.5
105.07009	4.4
107.04944	0.8
107.08575	14.9
109.06498	9.8
109.10137	5.8
110.33157	0.4
111.08068	4.0
117.07037	0.7
119.08574	3.2
121.06461	2.4
121.10122	9.1
121.10975	0.6
123.08058	3.2
123.11669	1.8
125.09602	1.5
127.11172	0.8
128.06180	0.7
129.06978	0.6
131.04993	0.5
131.08549	2.6
133.10101	7.2
135.08046	3.1
135.11674	2.5
136.07614	0.5
137.09605	2.1
137.13255	0.5
139.11171	1.7
143.08507	0.5
145.06450	0.6
145.10118	1.7
147.08046	0.7
147.11707	1.3
149.05969	0.9
149.09608	4.2
149.13220	6.0
151.11162	5.0
153.09082	0.8
158.10838	0.6
161.02946	0.6
161.13248	1.0
163.11182	2.1
163.14778	2.1
165.12709	0.8
167.07030	5.5
167.10693	1.8
169.08620	1.9
169.12204	2.7
173.09712	0.6
173.13203	4.7
177.05489	1.3
179.14336	0.9
191.10674	1.3
191.14270	5.1
209.08072	0.7
209.11707	0.8
209.15277	2.8
227.06824	1.1
227.10649	0.7
227.14418	0.9
227.16241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.96549	13.0
62.99020	0.4
66.22514	0.4
69.03401	1.0
69.07024	0.5
70.06565	0.8
70.22868	1.4
70.23286	0.8
74.97609	1.4
84.08120	0.5
84.96016	0.6
92.92890	0.4
97.02879	0.6
98.21422	0.6
98.97563	3.4
99.04414	0.4
107.04910	0.7
107.08556	0.4
109.99053	0.4
112.07579	0.7
116.98598	1.9
120.83612	0.4
128.00175	1.0
134.99641	0.7
138.02382	0.5
140.07028	1.2
156.03291	62.8
157.03680	0.6
160.02843	0.5
168.03278	9.4
168.04585	0.6
173.06226	0.4
174.04361	100.0
175.04770	1.0
175.77692	0.4
186.04353	89.1
187.04755	0.9
192.05403	19.6
197.05959	2.8
204.05414	95.2
205.05717	0.7
206.05801	0.6
209.05937	4.4
209.31378	0.4
210.06256	0.5
222.06441	5.2
227.07008	3.5
228.05391	12.6
228.13564	0.4
228.15758	0.7
228.23181	1.0
246.06470	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01864	3.7
55.05499	2.8
56.96555	29.2
57.03423	10.3
58.03756	0.8
58.06586	6.7
58.99858	2.2
59.05014	0.8
59.07379	1.8
60.08158	7.4
60.95848	1.0
61.02607	1.4
61.02916	19.0
61.21225	0.6
62.03245	0.7
67.05494	1.1
68.05009	1.2
68.64919	0.7
69.03419	11.1
69.07035	0.9
70.06581	40.6
70.98106	2.8
70.99829	0.9
71.01308	0.8
71.04981	3.5
71.95262	1.6
72.08170	0.7
73.02906	10.6
74.97618	1.8
75.04462	0.8
77.00880	2.4
79.05483	1.7
81.03393	4.8
81.07056	1.0
82.99845	1.4
83.00779	1.2
83.04974	1.6
84.01555	0.9
84.04509	0.8
84.08123	1.0
84.96014	3.7
85.02892	18.3
86.03204	0.8
86.09695	2.3
86.99304	0.8
87.04463	1.8
88.99142	2.5
89.00793	2.4
90.01547	1.7
91.03918	1.3
91.05476	3.1
92.01295	2.5
93.07020	2.5
95.06072	1.5
96.01530	1.8
96.08121	1.3
97.02338	0.7
97.02876	13.1
98.01291	3.2
98.97565	30.0
99.02045	2.3
99.04453	2.3
100.02477	1.0
100.99141	1.2
101.00858	18.5
101.02522	1.3
101.03402	1.0
101.05978	0.7
103.02449	1.3
104.01279	2.4
105.00265	0.7
105.02055	1.3
105.07038	3.5
106.01028	0.9
107.00233	1.0
107.01832	0.8
107.05003	0.9
107.08575	1.8
109.02881	1.6
109.10165	0.8
110.01273	4.9
110.03945	3.5
110.97540	3.3
112.00967	0.8
112.99107	2.0
113.00889	1.1
113.01684	1.0
113.02388	1.3
114.05495	4.8
114.06628	2.8
114.09171	1.8
115.01633	0.8
115.02412	3.6
116.07062	5.7
116.98603	20.4
117.01863	2.3
117.06998	1.4
118.01025	2.7
118.03547	0.9
119.01889	100.0
119.04384	1.7
119.08556	1.4
119.51955	1.0
120.00668	0.9
120.02006	2.2
121.01601	1.6
121.06488	1.6
123.04539	0.8
124.00947	0.9
124.05579	0.7
124.07523	3.9
125.01810	1.1
126.02557	1.0
126.09099	1.0
126.98750	1.4
127.01505	1.1
127.03896	5.2
128.01361	1.1
128.02290	14.2
128.06218	1.3
128.98561	7.5
129.03925	1.7
129.06987	1.2
130.05493	2.0
131.00146	3.9
131.01840	3.0
131.08557	2.2
132.00694	3.0
133.01604	3.0
133.03442	13.9
134.02266	0.9
134.03651	0.8
134.99628	9.1
135.03085	4.0
135.04379	1.9
135.08009	1.1
137.01880	1.0
137.02905	29.9
139.01476	3.5
139.06006	2.0
139.53061	0.8
140.00148	0.7
140.02260	1.0
140.98645	0.7
141.01234	2.8
141.06943	1.0
142.03467	4.1
142.08618	32.4
142.96484	2.2
143.00099	3.2
143.01874	2.6
143.05490	1.2
143.08545	3.1
144.03586	2.3
144.99808	7.5
145.01598	1.7
145.03554	1.3
145.04932	1.0
145.99918	1.0
146.02295	1.8
146.99606	12.8
147.01289	3.0
147.03127	2.6
147.04980	2.5
148.02002	3.5
148.03793	3.5
148.06532	12.1
148.56598	1.6
149.01202	2.3
149.13232	0.8
150.01724	1.0
151.04489	4.4
152.02226	0.9
152.06995	0.8
153.01201	2.9
153.07018	1.3
154.03760	0.8
155.02773	2.1
155.08533	2.5
157.02576	3.7
157.10115	2.0
158.99672	5.4
159.00909	0.9
159.05019	4.0
159.11687	2.1
160.02025	2.6
160.04733	0.9
160.97551	1.6
161.01173	4.9
161.02951	5.0
161.05617	6.9
161.55598	1.8
162.01775	4.0
162.02939	0.8
162.51952	0.8
163.00958	1.0
163.02614	2.0
163.03961	5.2
164.03273	1.0
165.00685	6.0
168.01784	5.0
168.09296	3.8
168.99818	10.4
169.02490	4.0
170.06273	4.2
170.08115	1.8
170.56218	1.2
170.99617	3.0
171.05005	2.4
172.97566	1.1
172.99348	1.3
173.01245	1.4
173.02887	1.4
173.09476	0.8
173.52647	0.8
173.99413	1.0
174.01813	1.0
174.99133	1.9
175.02643	2.6
175.04474	1.2
177.00676	6.2
177.02333	4.7
177.06053	2.2
177.12656	2.0
177.52440	0.8
178.02997	2.2
178.04924	2.3
179.03983	0.8
181.02464	1.1
181.56866	0.9
183.02341	4.4
183.11646	8.4
183.14893	2.0
184.03075	5.1
185.06569	1.6
186.99242	1.4
187.00850	19.9
187.04500	1.5
187.11131	1.6
188.97087	1.7
189.00716	5.8
190.03091	1.9
190.98579	2.1
191.00323	1.9
191.02203	1.8
191.03934	1.6
192.00479	1.2
192.02814	1.2
193.00174	2.4
193.03641	1.6
195.07135	1.9
196.99258	3.2
197.01080	3.6
199.03651	1.2
199.06165	1.7
199.53833	1.0
201.00708	2.6
201.12733	1.3
204.02888	0.9
205.00122	2.5
205.01892	4.4
205.03662	1.5
206.98174	1.4
207.01718	2.9
210.02391	1.5
211.03511	1.4
211.11220	1.2
213.03293	2.3
214.98363	1.5
215.00325	18.1
215.02043	1.3
215.03772	1.1
217.00229	1.2
219.01762	3.4
219.07124	6.8
220.04132	2.8
220.07069	1.2
223.01228	3.0
229.04915	1.5
229.06982	1.6
229.12132	5.1
229.15430	95.8
229.54865	1.1
230.98035	1.1
233.05011	2.1
235.01065	1.4
237.02742	3.0
238.01927	0.8
247.01074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.8
57.02374	0.7
57.03426	19.3
57.07066	2.3
59.04985	5.5
65.03923	1.8
67.05492	100.0
68.05838	1.0
69.07044	2.4
71.04983	3.1
71.69940	1.8
79.05490	2.1
81.07044	16.3
83.08601	6.8
85.06543	3.6
89.58145	0.8
91.05474	7.8
93.07025	3.5
95.08591	6.0
97.62933	0.8
105.07024	2.8
107.08581	3.1
109.10136	85.1
110.10480	2.0
111.08068	2.6
117.07014	1.4
119.08560	6.1
128.06201	3.3
129.06987	2.9
131.08560	2.2
137.09598	3.5
141.06970	1.9
142.07742	1.4
142.80655	0.8
143.08557	6.1
145.06479	1.9
153.06973	2.3
155.08565	4.6
155.10667	3.1
157.10143	1.8
159.08035	1.3
159.11697	2.4
168.09335	5.1
169.10066	0.9
173.06049	0.9
173.11719	20.5
173.13074	1.1
183.11667	14.9
183.85251	0.8
184.11993	0.9
185.13304	1.1
187.07547	1.3
187.11180	2.8
201.12717	2.4
211.06023	1.1
211.07927	0.7
211.11198	2.2
229.08650	1.9
229.12190	8.4
229.14349	25.6
229.16394	1.4
229.23541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
57.03428	18.6
57.07061	1.0
59.04992	4.6
65.03920	2.0
67.05495	100.0
68.05813	0.9
69.03415	0.7
69.07071	1.9
71.04987	3.8
71.14010	1.4
71.14345	0.8
79.05492	2.3
81.07044	15.6
83.08603	7.1
85.06541	2.6
91.05466	6.9
93.07030	3.6
95.04967	1.0
95.08582	4.4
105.06991	1.6
107.08575	2.5
109.10140	89.0
110.10479	1.7
111.08080	3.5
117.07008	0.8
119.08567	5.4
128.06177	1.5
129.06973	1.1
130.94249	0.6
131.08537	1.9
137.09583	3.8
141.06944	1.5
142.07745	1.3
143.08556	2.6
145.06480	0.7
145.10118	0.8
152.43037	0.7
153.06976	1.2
155.08545	3.3
155.10614	3.5
157.10117	1.9
168.09331	3.5
169.10080	0.6
173.11714	23.5
174.11986	1.0
183.11652	8.2
187.11162	1.4
201.09001	0.7
201.12711	1.2
211.11096	0.7
229.08539	1.1
229.12166	4.0
229.14285	20.9
230.14615	0.9
247.13252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
53.03935	3.5
55.01865	5.6
55.05499	15.4
57.03421	14.5
57.07080	5.7
57.74920	3.7
59.05016	6.6
65.03906	5.6
67.05490	100.0
69.07053	15.4
70.03418	12.1
70.03829	7.9
70.06593	5.7
71.04984	6.1
75.44676	3.8
76.29398	3.5
79.05464	19.9
81.07044	67.9
83.04947	5.4
83.08617	10.6
85.06506	6.5
90.72128	3.6
91.05461	43.2
93.07036	22.0
95.04955	5.4
95.08613	13.2
97.06483	9.3
98.21359	5.0
99.08081	4.9
105.07021	63.8
107.08562	14.6
109.06522	8.9
109.10142	68.9
115.05444	11.5
117.06989	14.2
119.08559	42.6
121.10111	15.5
123.11688	31.6
128.06203	21.6
129.06993	25.5
131.08534	25.6
133.06429	4.8
133.10136	15.9
137.09599	6.3
141.06934	18.2
142.07744	18.3
143.08549	36.8
144.09341	8.2
145.06505	9.5
145.10043	24.1
147.11662	98.3
149.05905	4.8
150.02325	4.7
153.06966	19.5
155.08528	29.1
155.10672	5.3
157.10114	42.8
159.08026	11.3
159.11694	16.1
165.12764	39.4
168.09325	37.1
169.10085	8.1
171.08075	7.9
171.11700	4.9
172.08801	5.4
173.05983	10.7
173.09604	10.8
173.11702	11.5
173.13239	10.0
175.11156	20.2
183.08141	5.4
183.11649	95.1
183.14113	4.0
184.11990	4.7
185.06090	4.9
185.13271	6.8
187.07497	8.1
187.11172	16.9
193.10088	5.8
193.12248	6.9
193.78128	3.8
201.08934	6.1
201.12743	19.9
201.16318	5.4
211.11208	13.5
211.14871	5.1
216.76007	3.8
229.04941	6.7
229.08607	29.1
229.12198	70.4
229.14351	93.8
229.15858	14.0
229.19611	9.7
229.23482	7.8
230.19006	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	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01860	1.0
55.05503	0.5
55.39083	0.3
56.96558	15.1
57.03422	1.1
58.06594	5.2
59.07375	1.3
60.08154	6.8
61.02913	0.8
67.05484	0.8
68.05026	0.6
69.03423	1.7
69.03738	0.3
70.06580	36.9
70.98106	0.8
71.04976	0.5
71.26387	0.9
72.08142	1.0
72.96026	0.6
73.02905	1.8
74.97575	0.8
79.05457	0.5
81.03399	0.6
84.08124	0.7
84.96010	1.0
85.02886	1.6
86.09686	1.0
91.05454	1.2
91.39360	0.4
92.01299	0.4
93.07018	1.4
93.70956	0.3
95.04949	0.5
95.08598	0.4
96.08083	1.7
97.02861	1.2
98.06027	1.0
98.97569	17.4
101.00861	1.2
105.06992	0.9
107.08567	0.9
107.58299	0.4
109.06454	0.5
110.01272	0.6
110.97565	0.6
112.99108	0.4
114.05515	3.7
114.09129	2.0
116.07095	1.4
116.98608	15.6
119.01903	7.0
119.94814	0.3
120.02001	0.5
121.06496	1.0
124.07563	3.4
128.02266	1.1
128.06175	0.8
128.98567	1.5
129.06981	0.4
131.00156	0.8
131.01859	0.6
131.08524	0.7
133.01622	0.6
133.03470	0.5
133.10071	0.4
134.01256	0.7
134.99637	7.8
135.08037	0.8
137.02930	1.8
138.09084	0.5
140.00194	0.6
140.03819	0.4
141.01277	0.5
142.08617	30.6
143.00119	0.4
143.08510	0.8
144.99777	0.5
146.99644	1.7
148.03905	0.4
152.07014	0.6
153.00705	1.0
153.06941	0.5
155.08507	0.9
156.03281	0.6
157.02531	0.5
157.03706	0.6
157.05089	0.4
158.01231	0.4
158.04900	0.6
158.99681	1.8
159.11581	0.8
160.06413	1.5
161.01183	0.8
161.02954	0.5
163.03957	0.9
165.00684	1.1
166.05695	0.5
166.91350	0.4
168.01721	0.5
168.09337	1.2
168.51968	0.5
168.99782	0.8
169.02478	0.5
170.05052	0.8
170.08093	1.6
170.99570	0.5
174.04370	0.7
174.99097	0.4
175.04675	0.7
176.05807	0.5
177.00685	1.6
177.02261	0.7
178.07440	0.7
183.02127	0.4
183.11656	2.1
186.04410	0.4
186.99193	0.5
187.00830	1.0
187.04688	0.9
187.11131	0.5
188.05984	0.7
189.00644	1.0
189.04301	1.5
190.05772	0.4
201.12691	1.0
204.05421	0.5
205.00113	1.0
205.01840	0.5
205.05727	1.3
206.03435	0.5
206.06960	1.2
207.01735	0.9
207.05380	0.9
211.10928	0.6
215.00380	0.9
224.07953	2.7
229.15437	100.0
230.06979	2.0
230.15749	1.5
237.02802	0.6
242.28261	0.4
248.08060	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	229.1795
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.31395	1.7
53.03941	3.3
55.01852	2.5
55.05502	67.8
56.96556	3.1
56.98742	1.7
57.03420	5.6
57.07059	8.3
58.70729	1.7
59.04989	14.3
65.03930	2.8
65.17648	2.0
67.05492	44.4
69.03425	20.9
69.07056	28.4
69.46429	18.9
70.06573	4.2
71.04979	15.5
72.08145	1.9
79.05486	12.7
81.03380	3.6
81.07042	39.6
83.04967	64.6
83.08604	42.6
85.02883	6.2
85.06526	31.6
87.04488	3.3
91.05460	22.1
93.07033	24.2
95.04967	12.2
95.08588	27.1
97.02875	7.4
97.06520	3.7
97.10156	8.5
99.00847	2.7
99.08080	16.5
101.05990	12.5
105.07016	35.7
107.08578	37.1
109.06505	5.3
109.10142	100.0
110.10513	2.5
111.08066	10.7
113.05960	3.6
115.05438	6.1
115.07542	2.8
117.07010	8.7
119.08562	16.9
121.06551	2.6
121.10110	11.7
123.04342	2.7
123.08070	4.6
123.11690	39.9
125.09596	14.3
125.13321	2.6
127.07520	2.2
127.11166	31.1
127.12068	2.5
128.06187	17.5
129.06976	14.7
130.94287	2.0
131.08574	18.8
131.84802	2.0
133.06535	3.2
133.10123	13.3
135.04414	4.7
135.11664	29.7
137.09604	6.7
139.11217	1.9
141.06941	12.7
141.12753	2.7
142.07767	13.8
143.08546	35.5
144.09338	6.4
145.06483	9.2
145.10074	17.9
147.04602	2.1
147.11659	4.6
149.13271	12.2
151.11154	11.0
151.14815	4.9
153.06956	15.1
153.12686	13.1
154.07765	4.3
155.08524	28.5
155.10551	2.4
156.09242	2.2
157.10103	13.9
159.04453	2.2
159.07983	11.0
159.11697	16.6
165.06953	2.4
167.08589	5.2
167.14297	33.4
168.09326	36.7
169.06467	2.4
169.10123	7.1
169.12210	44.0
171.08023	4.8
171.11678	3.3
173.06000	5.3
173.09612	8.5
173.11812	4.0
173.13269	7.8
175.11253	3.1
175.14799	13.2
183.08162	10.2
183.11656	73.5
184.12167	3.1
185.13268	5.9
185.15356	8.5
186.06702	2.8
187.07558	8.1
187.11124	13.8
187.14903	3.0
187.62123	2.1
193.15869	19.3
196.08731	2.9
201.09056	3.5
201.12698	20.1
211.07562	9.1
211.11165	14.1
211.14787	4.9
211.16878	61.1
213.14514	3.0
229.04977	2.4
229.08646	24.1
229.12192	56.3
229.15852	12.4
229.17570	21.3
229.19629	6.9
229.23489	3.9
230.12503	2.8
230.18991	19.7
247.13254	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	230.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69286	1.1
55.01854	1.8
55.05511	1.5
56.04996	1.4
56.96556	100.0
57.03418	4.0
58.06587	1.8
60.95836	2.0
61.02919	6.3
69.03403	4.6
70.06577	7.4
70.98095	2.1
71.04989	2.8
71.06895	1.7
71.68233	1.3
71.68673	1.5
71.95227	1.8
72.08125	5.5
73.02883	3.6
74.97590	3.1
81.03394	2.1
81.19204	1.2
84.04508	2.1
84.08122	2.8
84.96003	5.1
85.02889	10.1
86.03213	1.6
86.09670	1.3
87.04452	1.4
88.25238	1.1
97.02328	1.2
97.02895	7.2
97.99139	1.8
98.97567	97.2
100.99129	29.6
101.00859	3.9
101.06046	1.2
102.00961	3.6
102.96937	1.3
107.25780	1.1
109.02885	1.7
110.97591	2.8
112.99122	3.2
113.00951	1.3
116.02716	1.3
116.98601	90.3
117.02017	1.5
117.03390	1.3
119.00169	16.7
119.01893	18.4
119.51911	1.3
120.01987	24.2
121.01658	5.9
124.95432	1.2
127.00587	1.2
127.03945	2.5
128.98628	7.1
128.99467	1.6
129.02153	2.2
131.00175	7.8
131.01871	5.7
133.03452	10.2
134.03514	2.1
134.99635	56.8
135.03152	3.1
135.04379	3.5
137.01241	2.0
137.02890	5.6
138.03024	6.9
139.02676	1.6
140.00157	3.7
142.03494	1.9
142.08591	2.3
143.00140	20.7
143.08916	3.4
144.99829	1.6
145.01659	1.7
145.03587	1.6
145.04816	1.4
145.99922	2.9
146.99599	10.5
147.01361	2.3
147.03255	5.0
148.56650	2.3
149.01176	4.8
149.02907	1.6
149.04655	1.8
149.06418	1.8
150.99138	4.1
153.00682	6.1
155.01988	1.5
156.05389	3.0
157.03407	1.9
158.01172	2.7
158.99620	3.3
159.05014	3.2
159.11243	5.8
160.04524	1.7
160.97513	1.9
161.01195	47.5
161.05641	1.4
161.55592	2.8
162.05394	3.9
162.99092	4.2
163.02687	2.8
163.03816	9.7
165.00696	24.2
165.02002	2.5
165.04280	1.9
169.00143	3.4
169.99965	2.9
170.56108	2.1
170.99608	3.2
171.04007	1.7
173.02989	1.8
174.99109	2.9
175.02707	1.4
177.00714	8.2
177.05946	1.7
178.04930	2.3
179.02237	7.8
182.56734	1.7
183.01733	22.4
184.02829	3.1
184.04532	5.3
184.11972	1.5
187.04474	3.4
188.00992	4.7
188.02475	1.7
189.00676	9.7
189.02446	3.3
191.02213	1.2
193.00095	3.9
198.00729	2.8
199.04471	1.9
201.00783	1.5
202.05569	3.6
206.98053	3.3
207.01738	28.8
207.03491	1.2
215.04080	1.6
216.00452	4.9
219.07088	1.6
220.07343	1.5
225.02786	8.5
230.03235	2.9
230.06860	1.4
230.08817	1.7
230.15730	13.5
230.18565	6.3
231.07117	7.6
231.09056	1.5
233.04924	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	230.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69286	1.1
55.01854	1.8
55.05511	1.5
56.04996	1.4
56.96556	100.0
57.03418	4.0
58.06587	1.8
60.95836	2.0
61.02919	6.3
69.03403	4.6
70.06577	7.4
70.98095	2.1
71.04989	2.8
71.06895	1.7
71.68233	1.3
71.68673	1.5
71.95227	1.8
72.08125	5.5
73.02883	3.6
74.97590	3.1
81.03394	2.1
81.19204	1.2
84.04508	2.1
84.08122	2.8
84.96003	5.1
85.02889	10.1
86.03213	1.6
86.09670	1.3
87.04452	1.4
88.25238	1.1
97.02328	1.2
97.02895	7.2
97.99139	1.8
98.97567	97.2
100.99129	29.6
101.00859	3.9
101.06046	1.2
102.00961	3.6
102.96937	1.3
107.25780	1.1
109.02885	1.7
110.97591	2.8
112.99122	3.2
113.00951	1.3
116.02716	1.3
116.98601	90.3
117.02017	1.5
117.03390	1.3
119.00169	16.7
119.01893	18.4
119.51911	1.3
120.01987	24.2
121.01658	5.9
124.95432	1.2
127.00587	1.2
127.03945	2.5
128.98628	7.1
128.99467	1.6
129.02153	2.2
131.00175	7.8
131.01871	5.7
133.03452	10.2
134.03514	2.1
134.99635	56.8
135.03152	3.1
135.04379	3.5
137.01241	2.0
137.02890	5.6
138.03024	6.9
139.02676	1.6
140.00157	3.7
142.03494	1.9
142.08591	2.3
143.00140	20.7
143.08916	3.4
144.99829	1.6
145.01659	1.7
145.03587	1.6
145.04816	1.4
145.99922	2.9
146.99599	10.5
147.01361	2.3
147.03255	5.0
148.56650	2.3
149.01176	4.8
149.02907	1.6
149.04655	1.8
149.06418	1.8
150.99138	4.1
153.00682	6.1
155.01988	1.5
156.05389	3.0
157.03407	1.9
158.01172	2.7
158.99620	3.3
159.05014	3.2
159.11243	5.8
160.04524	1.7
160.97513	1.9
161.01195	47.5
161.05641	1.4
161.55592	2.8
162.05394	3.9
162.99092	4.2
163.02687	2.8
163.03816	9.7
165.00696	24.2
165.02002	2.5
165.04280	1.9
169.00143	3.4
169.99965	2.9
170.56108	2.1
170.99608	3.2
171.04007	1.7
173.02989	1.8
174.99109	2.9
175.02707	1.4
177.00714	8.2
177.05946	1.7
178.04930	2.3
179.02237	7.8
182.56734	1.7
183.01733	22.4
184.02829	3.1
184.04532	5.3
184.11972	1.5
187.04474	3.4
188.00992	4.7
188.02475	1.7
189.00676	9.7
189.02446	3.3
191.02213	1.2
193.00095	3.9
198.00729	2.8
199.04471	1.9
201.00783	1.5
202.05569	3.6
206.98053	3.3
207.01738	28.8
207.03491	1.2
215.04080	1.6
216.00452	4.9
219.07088	1.6
220.07343	1.5
225.02786	8.5
230.03235	2.9
230.06860	1.4
230.08817	1.7
230.15730	13.5
230.18565	6.3
231.07117	7.6
231.09056	1.5
233.04924	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	230.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98626	0.5
55.05508	0.4
56.96555	61.1
57.03429	0.4
57.97329	0.4
58.06583	0.5
60.08170	0.5
61.02931	0.5
68.62142	0.3
69.03402	0.7
70.06578	3.1
70.16839	0.7
70.17254	1.3
70.98101	0.7
71.04977	0.5
71.06908	1.4
71.07278	0.4
71.95257	4.0
72.08137	0.7
72.96036	3.0
73.06521	0.5
74.97590	2.3
75.15324	0.5
83.97618	1.0
84.08118	1.2
84.96014	2.1
85.02904	0.8
86.09687	5.9
97.02879	0.6
97.99174	0.5
98.97565	100.0
99.97884	0.4
100.99136	0.5
101.00870	0.4
101.98642	0.4
102.00922	0.5
102.97021	0.4
110.97554	0.6
112.99118	1.8
114.05477	0.5
116.00227	2.1
116.07121	0.4
116.98598	92.3
117.13328	0.4
117.98931	0.6
119.01879	2.2
120.01968	1.8
121.01645	0.7
124.00717	0.8
124.99090	0.5
126.02260	2.0
127.03919	0.6
128.03424	0.4
128.98589	1.7
129.02179	0.5
131.00166	1.9
131.01935	0.4
132.98032	0.5
133.03476	0.3
134.01253	3.4
134.99634	54.4
136.06146	0.4
137.02820	0.4
138.03017	0.6
140.00166	3.0
140.03818	2.3
142.01727	1.0
142.05370	1.7
142.08604	1.5
142.96507	0.4
143.00183	1.8
143.08981	2.3
144.03311	1.9
145.01648	0.6
146.99605	1.7
147.03229	1.5
149.01176	0.9
150.99130	1.7
152.02217	0.4
153.00673	7.8
153.02032	0.6
158.01227	3.0
158.04855	7.2
158.99600	0.8
159.11288	0.5
160.06425	8.0
161.01175	3.1
161.04865	0.4
162.04324	0.7
162.99095	0.4
163.02658	0.5
163.03888	0.9
165.00620	0.4
165.04340	0.9
169.00230	0.4
170.04861	1.6
171.03279	1.6
176.02278	0.5
176.05937	2.3
177.00682	0.8
178.04869	0.4
178.07492	2.9
179.02231	1.2
184.12051	0.6
184.97577	0.4
188.01024	0.9
188.04398	0.6
188.05910	5.7
188.96977	0.4
189.00653	1.1
189.04312	17.6
192.96300	0.4
197.01140	0.4
202.07423	1.3
203.05972	1.0
206.06967	10.3
207.01840	2.0
207.05371	12.0
210.97523	0.4
212.05806	1.6
220.08539	0.8
221.06995	0.6
224.08022	16.2
225.02727	0.9
225.08319	0.5
229.08556	0.6
230.06953	14.8
230.15761	10.7
230.18199	0.5
230.98067	0.5
231.05312	3.7
233.04886	0.6
247.09451	0.5
248.08028	30.9
248.99136	1.4
249.02689	0.6
249.06396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01863	0.5
55.05495	0.7
56.05029	0.6
56.96557	100.0
57.03422	1.0
57.07073	0.5
58.06602	0.6
60.04512	0.6
60.95840	0.7
61.02925	0.8
67.05495	0.9
68.99759	0.4
69.03415	1.3
70.06577	3.4
70.20492	0.8
70.20866	1.5
70.98118	1.4
71.04977	1.1
71.95266	2.6
72.08138	1.2
72.96039	1.1
73.02910	0.8
73.06543	8.2
74.93163	0.5
74.97597	15.5
74.98005	0.9
76.52631	0.4
77.00890	0.5
79.05473	0.5
81.03356	0.9
81.07061	0.7
82.99833	0.4
83.04965	0.8
83.06091	0.5
84.04483	1.7
84.08118	3.0
84.96024	7.4
85.02904	1.3
85.06516	0.4
86.06059	0.5
86.09718	1.0
86.97586	0.7
88.99168	0.6
91.05473	1.5
92.98626	2.8
93.07041	0.7
95.01299	0.5
95.04947	0.9
95.08578	0.5
97.02918	1.3
97.99200	1.3
98.97569	23.4
100.02164	0.5
101.00851	1.2
102.96972	1.0
103.02392	0.8
105.07029	1.1
107.04919	0.6
107.08573	0.5
109.02856	0.8
110.07170	0.5
110.97549	1.1
111.04424	1.1
112.99118	6.3
115.00665	0.6
116.00236	0.8
116.07054	0.5
116.98604	26.4
117.07035	0.8
117.98966	0.5
119.01902	10.0
119.08591	0.6
120.98029	1.0
121.01663	0.7
121.03524	0.5
121.06498	0.5
123.04433	0.7
124.03890	0.9
124.04697	0.5
124.99098	6.1
125.85997	0.5
127.00679	1.0
127.03888	0.6
128.03391	0.5
128.06172	0.6
128.98601	2.5
129.02197	2.5
129.06972	0.8
129.10254	1.2
130.08606	0.8
131.00154	11.6
131.01834	0.8
131.08543	0.5
131.99707	0.5
132.98076	2.8
133.01678	0.8
133.03479	1.5
133.10179	0.4
134.01294	0.5
134.99640	27.7
135.04385	0.9
136.00031	0.7
136.07556	0.6
137.02925	3.1
139.03885	0.8
140.00200	1.1
140.98524	0.4
141.02199	0.7
143.00142	28.4
143.08543	1.2
144.98070	0.8
145.01736	2.1
145.03505	2.0
145.10118	0.6
145.97723	0.5
146.01245	0.5
146.99683	3.0
147.01393	0.9
147.03276	16.0
147.04350	0.9
148.02890	0.5
149.01199	11.0
149.02412	0.4
149.02960	1.0
150.00731	0.4
150.99124	19.7
151.06293	0.5
153.00658	5.4
154.01730	0.7
155.04633	0.8
157.01749	0.8
157.10094	0.7
158.01228	1.4
158.99635	1.9
159.03313	1.4
159.11380	0.7
160.97659	0.9
161.01201	54.4
161.02798	2.0
162.99149	2.1
163.02713	1.3
163.03964	2.3
164.04222	0.8
165.00694	0.9
165.02365	0.5
165.02979	0.7
165.04353	7.3
166.01808	1.0
167.00139	0.5
167.02229	1.3
168.06461	0.6
169.00188	11.9
170.04875	0.6
170.99603	1.0
171.01341	1.8
171.02899	0.4
172.02765	1.0
172.09586	0.8
173.01225	1.2
173.02855	0.5
174.00729	2.2
174.99115	1.7
175.02634	0.8
175.04010	0.8
176.02216	0.6
177.00676	4.9
177.02126	0.7
177.04265	0.7
177.22316	0.5
178.03807	0.5
178.08603	0.5
179.02261	11.5
179.03783	0.4
181.00162	0.7
184.02777	2.8
185.01208	9.1
185.02914	2.1
185.05818	0.7
185.13365	1.0
187.02821	0.8
187.04420	0.5
188.05618	0.9
188.97063	0.6
189.00677	6.1
189.02425	12.1
189.04195	1.2
190.95398	1.5
190.98647	0.9
191.02179	3.3
191.03743	0.6
192.01817	1.1
193.00194	2.0
195.01723	1.5
201.00790	0.5
201.05817	0.5
202.03867	1.0
202.98598	0.6
203.02229	8.0
203.03963	0.9
204.05315	0.5
206.98332	0.8
207.01727	10.2
207.03427	1.4
207.05116	0.7
208.04549	1.3
208.92889	0.5
208.96436	0.9
209.03328	2.2
212.04062	1.0
213.00667	0.9
213.05402	0.9
213.12421	0.9
217.00035	0.6
219.01593	1.2
221.03392	1.1
225.02797	5.2
225.59186	0.4
226.03799	0.6
227.02194	0.7
228.02052	0.6
230.03293	0.8
230.98074	0.7
231.01393	2.0
231.06763	4.7
231.10063	1.1
231.13763	1.9
231.16080	0.7
248.96376	0.8
248.99139	6.2
249.02789	11.1
249.06380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52539	0.4
53.03938	13.5
55.01855	2.8
55.05489	1.0
57.03424	3.1
61.02918	1.7
66.21955	0.5
67.05489	0.9
68.99784	3.5
69.03419	100.0
69.07065	0.6
69.91889	0.5
70.03780	0.7
70.23460	2.2
71.01361	0.7
71.04983	8.8
73.15160	0.5
76.63239	0.4
79.05469	0.8
81.03403	49.7
81.07083	1.3
82.03780	0.7
83.01319	1.4
83.04972	0.7
85.02891	37.9
87.00813	18.8
87.03498	0.5
87.04485	0.9
91.05466	1.3
93.07024	1.5
95.08585	0.9
97.02876	27.7
99.03790	1.2
99.04439	24.0
105.01865	3.7
105.03400	0.7
105.07040	2.2
107.08594	1.1
109.02863	20.2
111.00776	0.9
115.03955	0.7
117.07022	0.9
119.08570	1.2
127.03894	24.7
128.06223	1.2
129.07002	1.5
130.07776	0.6
131.08580	2.1
133.10126	1.4
137.09621	0.5
141.06993	1.2
142.07748	0.8
143.08560	2.3
145.04965	2.2
145.10144	1.9
147.09224	0.6
154.07768	0.5
157.06516	0.6
157.10176	2.5
157.11436	0.5
159.08076	0.9
159.11668	1.2
161.09708	0.5
167.08588	0.9
169.10095	1.1
171.11597	0.9
175.03922	0.9
185.09599	2.3
185.13235	1.9
187.11172	1.1
189.05464	0.6
213.03806	2.7
213.09319	0.8
213.12854	0.9
213.16414	1.2
231.04962	4.3
231.06987	4.2
231.10207	2.0
231.13800	2.8
231.17439	2.0
238.64195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31020	1.1
50.63184	1.1
53.03940	6.5
55.01865	3.3
55.05500	35.3
55.22845	1.3
56.96551	3.0
57.03418	4.8
57.07061	3.9
59.05002	2.9
65.03922	1.9
67.05490	4.4
68.99776	8.8
69.03419	32.3
69.07047	1.9
70.06564	2.7
70.18502	1.1
71.01315	2.8
71.04986	11.3
71.08618	3.9
71.67984	1.5
72.08150	4.4
72.47191	1.1
72.93819	1.2
77.18441	1.1
79.05481	29.6
81.03407	14.3
81.07042	100.0
83.04964	14.0
83.08625	11.4
84.08162	1.8
85.02882	10.4
85.06171	1.0
85.06540	9.7
86.09677	1.2
87.00822	41.0
87.01362	2.0
91.05475	10.4
93.07025	3.3
95.04964	1.5
95.08597	2.4
97.02865	10.5
97.19001	1.2
97.43410	1.3
99.00769	2.3
99.04453	6.3
99.08086	8.5
101.05998	1.3
105.01859	6.9
105.06994	6.7
107.04952	3.0
107.08599	2.8
109.02856	5.8
109.06501	51.6
109.10141	1.3
110.44328	1.4
111.04401	2.0
115.05438	2.7
117.06995	5.0
117.09102	3.3
119.04890	1.9
119.08566	10.6
121.02839	3.6
121.10054	1.7
123.04429	2.4
127.03899	8.4
127.07533	43.5
128.06206	3.7
129.06958	7.6
131.08560	4.8
133.06500	2.5
135.08061	2.1
139.05469	1.4
141.06970	1.3
142.07777	3.3
143.04996	2.3
143.08557	6.3
145.06448	3.1
145.08563	20.0
145.10097	3.5
147.04381	10.6
147.08012	15.8
157.06467	8.8
157.10103	5.8
159.08037	1.8
159.11699	2.3
160.05174	1.6
161.05975	5.5
161.09601	2.4
161.13214	1.4
169.10110	1.4
170.07210	1.4
170.10835	1.3
171.04327	1.8
171.08031	1.7
171.11697	2.1
175.03868	4.0
175.07542	4.6
175.11165	2.5
184.00461	1.7
185.05933	10.9
185.09584	3.7
185.13226	6.4
187.07423	1.6
188.08362	2.1
189.05457	8.5
189.09137	1.5
189.12761	2.2
192.10034	1.3
201.05531	1.7
203.06976	6.6
203.10692	3.1
203.14363	2.1
209.01285	1.2
213.03827	1.7
213.05467	13.3
213.09048	2.0
213.12663	4.4
213.16342	1.4
227.02281	3.3
231.06509	69.1
231.08360	3.5
231.10056	9.3
231.13715	14.9
232.06744	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2056
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
53.03926	0.3
53.08150	0.2
54.08035	0.2
55.05488	0.9
57.03407	0.4
67.04213	0.5
67.05478	0.6
69.03413	4.6
70.06580	2.6
71.04958	0.8
71.69905	0.3
77.10839	0.2
79.05462	1.4
80.04993	0.3
81.07032	1.3
83.04961	1.7
83.07336	0.4
84.08150	0.3
84.33421	0.2
85.02906	1.6
87.00804	0.7
91.05459	0.7
93.07047	1.3
94.06541	0.6
94.80891	0.2
95.04887	0.3
95.07313	0.6
95.08586	0.4
96.08097	0.8
100.75116	0.2
105.01806	0.3
105.06995	1.8
106.06515	0.3
106.58565	0.3
107.08560	0.7
108.08101	1.2
108.34041	0.2
110.09671	0.4
111.04382	0.9
116.06216	0.2
117.06995	0.3
119.08532	0.7
120.08079	4.9
120.77318	0.2
121.06486	0.3
121.08844	1.4
121.10104	0.6
122.09648	1.2
127.26134	0.2
128.06171	0.4
129.05453	1.5
129.06938	0.9
131.08536	0.8
133.08919	0.3
133.10060	0.5
134.09610	1.6
135.10416	0.5
143.08130	0.3
145.06496	0.3
145.10110	0.4
146.09596	1.1
147.10397	0.4
148.11180	2.9
149.11963	0.5
150.12756	5.8
157.09962	0.4
158.10471	0.9
159.08011	0.7
160.11168	0.8
161.11916	0.3
172.05113	0.4
173.13165	0.2
174.12744	4.0
175.13545	0.6
176.14323	0.4
187.07484	2.0
188.14243	2.8
189.16316	0.2
190.15845	3.0
200.04704	0.5
202.15898	2.2
203.16647	6.7
204.10349	0.3
204.17342	0.5
215.06995	4.5
215.14273	0.4
232.20557	100.0
233.08080	2.7
233.11662	0.3
233.15327	0.8
233.20906	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.3
60.44462	0.6
66.68382	0.6
79.35772	0.7
82.99850	1.8
92.36582	0.7
94.06575	3.0
95.06857	0.8
98.20659	1.1
98.97588	1.2
100.99133	0.9
101.00854	14.1
102.38995	0.6
110.97556	0.7
115.02400	2.0
119.01903	45.4
120.02051	0.6
121.03426	0.6
127.02374	8.4
128.98578	0.8
131.01909	2.5
133.03448	11.2
134.03543	0.6
137.02924	10.1
142.03468	1.3
143.01869	11.5
145.03438	100.0
146.03560	2.6
146.99585	1.5
149.02943	0.8
151.04514	2.0
155.01894	1.5
157.03433	10.0
161.02937	27.0
162.03171	1.0
162.99149	1.0
163.04495	31.7
164.04584	1.1
165.00748	1.1
166.34081	0.6
168.05022	4.0
173.02954	14.5
175.04491	26.0
179.04013	0.6
184.04561	0.9
186.06123	1.0
187.04543	2.2
191.03979	45.5
192.04158	1.1
197.02853	0.6
203.03984	1.4
205.05634	0.9
208.99634	1.7
209.05113	1.0
214.05553	3.1
215.03917	0.7
233.05005	13.8
236.70390	0.8
251.05992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48462	1.5
55.01851	2.7
55.05506	18.1
57.03418	7.6
57.07062	2.3
58.20004	1.7
59.04979	2.1
66.88072	1.7
67.05480	2.9
68.99783	4.9
69.03429	13.9
70.86362	5.7
71.01333	5.1
71.04605	3.3
71.04979	38.5
81.07040	2.4
83.04965	100.0
85.02891	37.5
85.38097	1.7
87.00817	35.0
87.04469	3.9
91.05459	5.5
93.07028	2.7
95.04946	3.1
95.08541	2.1
97.77427	1.7
99.04418	5.3
101.05997	4.3
105.01844	12.9
105.07011	5.2
107.04976	1.8
107.08618	4.0
109.10168	2.0
111.04424	49.8
117.07011	3.3
119.08592	3.9
121.06479	2.1
121.10072	2.2
129.05464	18.1
131.08559	4.8
145.10136	3.1
149.09534	2.4
159.11702	2.5
173.09547	2.3
173.13171	2.7
177.05339	3.6
177.09109	2.8
187.14761	2.4
189.48453	1.7
197.04466	1.8
215.05396	9.3
215.10611	1.8
215.14256	2.3
232.25430	6.0
233.08034	4.1
233.11754	6.0
233.15251	14.2
233.18925	3.6
233.25659	2.9
249.70891	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	233.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95409	1.0
53.03930	2.1
55.01850	1.6
55.05503	22.2
56.96550	3.8
57.03433	10.3
59.04989	1.6
61.02903	1.5
67.01858	1.1
67.05498	6.4
68.99767	2.9
69.03425	13.6
69.07053	2.6
69.98611	4.2
69.99024	3.1
71.01329	4.0
71.03737	1.3
71.04980	33.7
79.05475	5.0
81.07032	11.0
83.04965	100.0
84.05291	1.4
85.02893	34.9
87.00817	33.7
87.04442	2.8
91.05462	7.6
93.07037	6.1
95.04951	2.4
95.08606	7.4
97.06530	1.9
99.04401	6.2
101.06008	3.8
105.01842	11.6
105.06999	7.3
107.04984	2.0
107.08582	6.0
109.06485	2.7
109.10139	2.9
111.04424	53.8
113.77634	1.1
115.05405	1.5
117.06998	2.5
119.08584	8.5
121.06472	3.3
121.10110	4.5
123.08057	1.2
123.11719	2.6
129.05463	16.0
129.06953	1.3
131.08566	6.3
133.10095	4.6
135.08046	2.7
135.11691	1.8
137.05963	1.8
143.08521	1.5
145.06461	2.6
145.10069	8.8
147.08017	2.8
147.11621	3.3
149.09598	1.5
149.13200	2.0
151.07507	1.3
157.10080	2.4
159.08032	2.7
159.11659	7.2
163.07478	1.9
163.14780	1.8
169.10109	1.4
171.11691	1.5
173.05891	1.8
173.09630	2.6
173.13268	3.0
175.07529	1.7
175.11139	1.2
177.09114	1.8
177.12753	1.6
187.07516	1.9
187.11147	2.3
187.14774	3.6
189.12698	1.2
191.10681	2.1
191.14252	1.2
196.05643	1.2
205.06238	1.7
205.08585	1.5
215.05397	11.2
215.10640	2.6
215.14302	3.8
215.17960	3.8
227.04221	1.3
233.04402	2.8
233.06276	2.3
233.08156	2.6
233.11697	4.1
233.15294	12.4
233.18842	6.1
233.20798	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	233.1532
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03915	1.9
55.05492	4.4
57.07062	2.4
67.05494	9.3
69.07047	4.2
73.02928	1.2
76.02222	5.8
79.05480	13.1
81.07042	21.6
83.08600	2.3
84.04471	2.7
91.05466	16.8
93.07027	18.2
95.04937	3.6
95.08588	22.1
98.21420	2.5
98.31159	1.3
105.06344	2.0
105.07015	33.1
107.04919	4.3
107.08582	15.7
109.10136	6.2
115.05376	1.2
117.07007	11.1
119.08552	19.0
121.06474	3.3
121.10128	6.8
125.05962	2.9
129.06964	1.7
130.05000	1.6
130.07706	2.2
131.08546	33.9
133.10129	10.2
135.07979	1.5
135.11642	2.9
137.05939	1.9
139.07484	4.3
141.07008	1.8
143.08533	3.8
145.10100	39.0
147.11632	8.0
149.05966	1.6
149.09645	2.1
151.07526	1.4
155.08490	3.4
156.09354	1.5
157.10085	2.7
159.08003	5.7
159.11687	18.4
161.13220	11.8
163.07503	4.4
169.10042	2.3
171.11601	3.0
173.09558	3.2
173.13217	1.9
177.05464	2.5
177.09070	9.1
178.06194	3.3
182.10971	1.5
187.11185	3.9
187.14789	100.0
188.15108	1.6
191.06927	1.8
191.10608	2.9
191.14268	2.2
197.13234	8.3
205.12192	1.4
205.15843	4.2
215.07117	1.7
215.14285	20.2
233.08000	3.1
233.11598	4.1
233.15321	51.4
233.19011	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02362	1.5
53.03931	2.5
55.05503	5.6
56.96548	1.4
57.07054	3.3
61.18652	1.0
62.52549	0.8
65.03918	1.0
66.55514	1.0
67.05506	4.3
69.03420	5.5
69.07041	2.5
69.51302	1.2
69.51653	9.5
69.53316	1.0
70.79373	0.9
71.04984	2.1
79.05486	43.8
81.07055	4.8
83.04961	3.3
83.08635	4.5
85.06520	3.3
90.68845	1.0
91.05469	9.0
93.07030	8.9
95.04968	5.6
95.08590	3.8
97.06512	2.7
98.21426	1.4
103.05460	1.1
105.07006	12.5
107.04943	45.5
107.08574	11.5
109.06491	2.9
109.10146	1.8
111.04440	1.8
111.08067	3.5
113.05997	1.4
114.60726	0.8
115.05471	1.3
116.06259	1.4
117.07001	3.5
119.08570	15.1
121.06477	2.9
121.10112	7.8
123.08054	2.4
123.11697	1.3
125.09645	2.4
129.07013	1.7
130.07767	1.1
131.08559	14.4
133.10109	8.6
135.04317	0.9
135.08031	3.8
135.11708	1.1
137.05891	1.3
137.09567	5.2
142.07774	2.0
143.08521	1.6
145.06461	1.5
145.10089	15.0
147.08037	11.6
147.11659	12.1
148.08685	0.9
149.01234	1.1
149.09610	7.3
149.13242	3.7
155.08521	1.2
156.09366	1.3
157.10081	4.9
158.10872	2.0
159.08040	2.5
159.11688	6.2
160.08801	2.2
162.23929	0.9
163.11145	4.7
171.11691	2.3
173.09630	3.7
173.13248	11.0
174.10254	0.9
175.11154	16.6
177.09125	1.6
182.10928	1.5
185.09738	0.9
187.07626	1.0
187.11287	1.1
187.14832	6.3
189.12735	3.2
191.14285	52.5
197.13193	2.1
205.15895	1.1
215.07051	1.6
215.14290	8.1
215.17860	1.5
233.04443	1.9
233.08003	2.4
233.15337	100.0
233.19102	3.1
234.15663	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	234.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16973	0.7
55.01865	0.7
55.05507	3.7
56.96537	0.6
57.03421	2.5
57.07054	2.0
58.06588	2.7
65.62447	0.6
69.07061	9.2
69.54069	4.8
69.54485	1.4
70.06577	1.0
72.08138	2.9
79.05473	1.7
81.07027	6.0
85.02857	0.8
91.05466	3.7
95.08591	0.8
103.05448	4.1
105.07027	3.6
106.06458	0.8
107.08557	1.0
115.05472	4.3
117.06999	1.4
118.06518	1.1
119.03537	2.4
119.04940	1.6
119.08566	1.0
120.08101	1.4
123.04414	9.5
128.06168	2.5
129.07001	13.5
130.04115	1.1
131.04909	7.8
133.06448	2.0
136.06171	100.0
137.04549	2.3
137.05930	5.1
139.03946	0.7
142.07748	1.1
143.04918	4.5
143.08556	4.0
144.05681	1.0
145.06473	2.1
146.06006	1.7
147.04398	7.9
147.08044	2.6
148.05159	4.7
149.04741	1.1
149.05962	21.7
157.06474	9.9
157.10069	1.0
160.05209	3.4
161.05957	33.5
162.05603	0.8
162.06731	5.3
163.07535	1.7
164.07047	50.9
169.06534	0.7
170.07227	1.5
171.08041	4.4
171.11716	5.3
173.05983	1.3
174.06783	1.5
175.07535	35.4
176.08266	1.0
184.08838	1.4
188.08347	1.9
189.09129	2.4
190.10854	1.5
192.06624	1.0
199.11160	6.4
205.12192	0.9
217.12224	41.5
218.12593	1.7
234.13451	48.2
234.15164	20.1
235.05995	1.7
235.13229	1.2
235.16980	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	235.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55822	0.5
56.96555	17.3
57.07085	0.6
59.75768	0.5
61.02906	0.9
70.06572	0.8
70.90724	1.7
70.91085	0.7
71.95246	0.7
74.97574	0.7
80.86686	0.6
85.02915	0.8
95.98811	0.6
98.08475	0.5
98.97559	5.9
101.32043	0.5
112.99110	65.9
116.98593	3.9
131.00145	100.0
134.99632	1.9
149.01193	52.2
154.01724	2.9
161.01042	0.6
167.02238	4.3
172.02794	2.0
173.01151	0.7
175.02753	5.9
188.96930	0.7
191.02245	0.9
193.03799	14.6
211.04849	10.2
216.05339	0.7
235.04840	22.4
235.07184	1.2
235.16780	1.3
253.05893	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	18.8
59.22604	0.3
71.14431	0.3
71.95258	0.7
72.96031	0.8
74.97601	0.5
85.02914	0.4
94.06559	0.8
98.97562	6.9
100.99149	0.5
103.00665	0.4
112.99108	74.2
116.98602	3.7
119.00166	0.5
119.01843	0.6
131.00142	100.0
132.00500	0.5
133.80513	0.3
134.99640	0.9
145.01741	0.7
145.03418	0.6
147.03210	0.7
149.01187	53.9
154.01720	4.0
163.02806	0.6
167.02243	4.6
172.02817	1.8
175.02744	6.1
177.04288	0.6
188.97026	0.5
191.02217	0.6
193.03806	13.3
201.82298	0.4
211.04855	9.5
216.05428	0.8
229.33762	0.5
234.06335	0.5
235.04825	19.0
240.20439	0.4
253.05910	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	235.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97594	1.5
53.45787	1.6
55.01862	4.1
57.07067	15.5
60.04498	5.8
61.01141	85.8
67.05486	1.8
68.99779	3.5
72.04504	31.3
78.03779	38.4
81.07031	3.4
81.93056	2.0
86.06042	16.1
87.00817	47.1
90.05551	2.3
91.05471	1.9
93.07052	2.0
95.08582	2.2
102.03143	2.5
102.03751	35.2
103.02153	62.9
104.01637	4.8
104.03467	2.9
105.00066	2.9
107.08588	3.2
109.10101	2.5
114.03764	20.1
114.05509	100.0
116.45472	1.6
119.08555	1.9
120.04784	90.1
129.00026	17.2
131.06401	13.5
132.04765	17.8
133.10071	2.8
140.03404	5.7
146.02693	31.7
147.01079	42.0
149.07416	74.1
158.04509	3.3
162.05792	3.5
164.03731	33.8
174.05814	9.4
179.10649	12.4
188.03709	2.2
191.08456	42.6
196.03392	2.1
200.03732	1.8
206.04753	3.4
217.06410	16.2
218.04793	6.3
229.53421	2.4
232.16476	1.8
235.05731	2.1
235.07541	23.3
235.13364	2.5
235.16882	45.8
237.83421	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62674	0.2
55.01860	1.8
55.05476	0.3
55.08672	0.2
57.07050	0.5
67.05455	0.6
69.03418	1.7
70.67573	0.3
70.67923	0.6
74.56686	0.2
79.05479	0.5
81.07018	0.6
91.05454	1.1
93.03363	0.6
93.07014	0.3
95.04925	0.4
95.08581	0.2
105.06998	0.7
115.05432	2.1
117.06947	0.3
119.08578	0.3
128.06198	0.5
129.06993	1.6
131.04924	0.4
133.10071	0.3
141.06952	0.6
142.07671	0.4
152.06163	0.7
155.35201	0.2
164.06326	0.2
165.06964	3.9
166.07799	1.4
167.08528	4.9
169.06496	0.5
176.06187	0.2
177.06946	0.3
178.07762	4.8
179.08528	6.4
179.10402	0.4
181.06464	0.7
184.27673	0.2
186.42267	0.2
189.06894	0.5
190.07736	1.1
191.08525	10.6
192.09299	35.4
193.06435	0.6
193.10065	3.9
194.07195	0.6
195.07899	0.6
202.07739	10.1
203.08435	1.5
205.06454	15.8
205.10007	2.0
206.07169	2.1
206.10828	1.2
207.07993	2.2
207.11647	32.4
208.11971	0.8
215.08525	0.7
216.09264	0.7
217.10089	8.7
218.07202	0.8
218.10515	0.5
219.08005	10.0
220.08789	37.9
221.09152	1.0
233.09534	0.9
234.10280	0.6
235.11134	100.0
236.11482	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1688
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03936	1.9
55.05267	1.3
55.05490	6.9
57.03410	1.4
57.07064	27.1
59.04998	2.8
67.05495	8.4
67.23659	1.4
69.03407	4.3
69.07054	8.3
71.04978	2.8
79.05488	6.7
81.03401	1.3
81.07040	13.8
83.04972	2.6
83.08593	4.6
85.06526	4.3
91.05465	12.5
92.10132	1.0
93.07029	11.2
95.04941	5.4
95.08593	17.1
97.06506	3.6
98.21557	2.3
105.07014	24.6
107.04952	1.3
107.08577	27.7
109.06513	6.5
109.10125	11.1
111.08041	3.9
115.05402	2.0
117.06992	5.2
119.08560	78.4
120.08869	1.4
121.06465	3.2
121.10120	11.0
123.04420	1.8
123.08056	4.4
123.11674	5.0
128.06178	1.8
129.06978	3.4
130.07794	1.4
131.08539	12.1
133.06468	2.6
133.10101	41.1
135.08044	17.6
135.11684	7.5
137.09587	4.4
142.07719	3.5
143.08530	6.5
144.09344	1.4
145.06456	1.6
145.10104	11.6
147.08018	5.7
147.11658	16.9
149.09586	3.1
149.13185	1.5
151.07516	2.0
151.11118	6.3
151.16675	1.3
156.09262	2.8
157.10101	10.2
158.10843	2.4
159.11681	9.9
160.08765	1.2
161.09596	28.8
161.13210	2.8
163.07446	1.7
163.11159	1.7
170.10934	2.1
171.11627	6.4
173.13210	13.1
175.11205	11.3
175.14796	15.6
176.11894	1.8
177.12715	4.9
179.10645	24.9
184.12448	3.8
187.11200	3.3
187.14755	3.4
189.12663	3.7
189.16356	18.4
192.09270	1.3
193.12192	1.5
193.15868	3.3
197.13568	1.3
199.14767	10.0
202.13560	2.5
207.11638	3.0
217.15846	82.9
218.16208	3.3
219.46983	1.3
220.08836	2.8
235.11137	4.4
235.16891	100.0
235.20692	3.8
236.17268	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	237.0866
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
53.21263	0.5
55.01875	0.6
55.05486	0.7
57.07049	0.6
63.32319	0.5
67.05494	0.9
69.07047	0.8
70.99920	0.7
71.00248	0.8
74.02436	3.2
75.03230	0.6
79.05477	0.9
80.05009	1.2
81.07042	0.9
86.06049	0.5
89.03876	0.5
91.05454	1.3
92.04966	0.6
93.07013	0.8
94.06547	2.2
95.04960	0.6
95.08588	0.6
96.04465	0.5
100.67365	0.4
103.05453	1.1
107.08611	0.5
108.04441	0.8
108.23263	0.5
109.06501	0.7
110.06025	1.7
117.05772	0.8
118.06527	8.4
119.07292	0.5
120.04421	1.5
120.08081	2.3
121.06418	0.7
122.06036	1.0
123.04395	0.5
127.03849	0.5
128.04951	5.7
130.06506	10.1
131.04893	0.5
131.07280	0.9
132.04407	1.5
133.05235	2.1
135.04459	0.5
135.08009	0.5
136.07571	4.8
142.06488	0.5
145.07588	1.5
146.05986	100.0
147.06357	1.7
148.02736	0.7
148.03905	14.3
148.05040	0.9
150.05455	1.4
155.05954	0.6
157.07591	8.5
158.06003	0.8
159.09149	1.6
162.05486	0.7
163.03873	1.2
163.05847	0.8
164.07034	1.9
166.08617	1.3
173.07114	3.9
174.05481	14.7
176.06981	0.6
178.04982	2.1
191.08130	18.6
192.06537	2.2
202.04930	2.3
203.08110	6.7
219.07668	1.0
220.06068	4.1
220.08202	0.9
237.08739	8.9
237.14677	0.6
237.22125	1.8
238.74156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.148
Annotation	Cuspidiol
Peak:m/z	Relative Intensity
53.03925	2.6
53.43187	1.4
55.01836	3.9
55.05498	18.7
57.03398	3.0
57.07034	5.0
58.42904	1.4
65.03921	2.7
67.05497	16.0
69.03420	10.1
69.07055	12.7
71.04975	11.3
79.05489	20.9
81.03365	2.2
81.06625	2.1
81.07045	26.7
83.04969	9.2
83.08611	3.5
84.08090	1.7
85.02876	1.5
85.06494	3.4
91.04924	1.8
91.05460	24.4
93.07030	24.2
95.04964	12.6
95.08117	1.5
95.08589	17.0
97.06517	11.4
97.10139	2.6
98.20702	4.3
99.04409	3.0
99.08073	3.0
103.05405	1.7
105.07002	25.3
107.04929	7.7
107.08579	53.5
107.34843	1.5
108.05677	1.8
109.06507	16.0
109.10132	13.1
111.04399	1.7
111.08002	4.5
113.09609	2.1
115.05418	10.1
116.06190	2.0
117.07003	17.3
119.08561	12.1
121.05735	1.8
121.06490	24.7
121.10128	16.8
123.07996	4.4
123.11677	6.9
125.09580	4.4
127.11111	5.4
131.08522	10.4
133.06435	3.1
133.10117	17.3
135.08031	100.0
135.11600	6.6
137.05849	2.6
137.09567	7.4
139.07483	5.4
139.11102	3.3
143.08490	3.5
145.10095	26.4
147.11589	4.7
147.12723	1.5
149.02251	3.5
149.09599	17.9
149.13194	4.9
150.89603	1.4
151.11166	10.1
154.84167	1.6
159.07954	2.9
159.11700	7.0
161.05908	3.2
161.09521	5.9
163.07515	12.5
163.11169	14.5
163.14731	3.1
165.06923	3.0
165.09023	6.2
166.07693	1.5
173.09538	2.3
173.13234	12.7
175.11211	1.9
175.14766	2.8
177.09071	13.1
177.12726	9.9
177.16292	2.4
179.08441	2.8
179.10606	4.0
181.01208	1.5
181.04893	1.7
181.08510	7.4
181.09970	3.1
183.11610	1.8
191.06975	3.1
191.14249	14.1
193.04901	2.0
193.08493	2.3
193.10086	2.3
194.10794	2.0
195.08008	1.8
195.10063	5.9
201.12640	6.6
201.16339	3.6
207.11432	1.4
209.09448	1.7
209.13205	2.5
211.66817	1.4
219.11682	3.2
219.13721	19.6
219.17311	4.0
222.10352	3.3
237.07425	5.2
237.12605	14.3
237.14748	57.7
237.18503	9.6
237.22075	8.1
249.19966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	[1alpha,3beta(E)]-(+-)- 2,2-Dimethyl-3-(3-methyl-7-oxo-3-octenyl)cyclopropanecarboxaldehyde
Peak:m/z	Relative Intensity
53.03928	3.7
55.01859	5.3
55.05493	22.0
57.03418	5.7
57.07055	9.1
65.03944	4.0
67.05492	37.4
69.03413	40.0
69.07053	26.2
71.01331	6.8
71.04980	68.0
73.06520	3.5
73.52837	2.7
77.02183	2.7
79.05474	28.8
81.03422	4.2
81.07040	83.2
83.04961	9.7
83.08598	11.2
85.06532	8.0
91.05457	29.4
91.48324	2.8
93.07028	52.3
95.04946	18.8
95.08591	47.5
97.06516	17.4
97.10146	5.5
99.04433	3.5
99.08070	20.7
105.07012	45.2
107.04950	6.0
107.08570	60.8
109.06507	43.9
109.10133	76.7
111.04411	3.0
111.08063	7.2
113.09695	3.0
115.05457	5.0
117.07014	8.3
119.08561	22.3
121.06490	12.4
121.10139	25.5
123.08051	13.0
123.11691	30.7
125.05977	4.3
125.09631	11.1
127.07549	4.7
127.11172	75.3
128.04913	3.3
129.07025	2.8
130.07750	3.4
131.08539	7.5
133.06488	3.2
133.10103	58.3
135.08037	26.2
135.11650	19.4
137.09596	5.5
137.13234	4.2
139.11182	11.0
143.10681	9.3
145.10114	38.6
147.08046	4.2
147.11684	13.6
149.01230	3.2
149.09575	8.1
149.13258	8.7
151.07668	5.1
151.11154	100.0
155.10620	27.3
157.58420	3.4
159.11638	13.5
161.13261	5.2
163.07590	3.4
163.11151	6.3
163.14781	3.3
165.12756	5.2
173.13246	3.8
177.09151	5.1
177.12723	9.0
177.16408	6.3
181.08591	6.4
181.12308	3.3
181.15761	3.2
191.14325	8.1
191.17932	4.4
193.08600	4.3
193.12314	3.3
195.10057	3.3
201.16373	11.7
219.13794	15.1
219.17345	18.5
237.07487	4.1
237.14740	23.2
237.18459	37.2
237.22112	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	239.0701
Annotation	7-Hydroxyisoflavone
Peak:m/z	Relative Intensity
53.03933	1.0
55.01850	2.0
55.05506	6.9
57.03418	1.5
57.07067	1.1
58.59582	0.4
59.04980	0.5
63.52554	0.5
65.03918	1.2
67.05495	8.2
69.03415	5.2
69.07052	2.0
70.06554	0.5
71.01337	1.0
71.04983	2.8
71.08618	0.5
71.31134	0.8
79.05476	1.9
81.03400	1.3
81.07036	6.2
83.04968	33.1
83.08602	0.9
85.02876	2.5
85.06514	0.9
91.05468	2.4
93.07047	2.2
95.04962	6.8
95.08585	4.2
97.02878	1.0
97.06521	2.2
97.10128	0.5
99.04434	3.0
99.08080	0.9
105.07005	2.8
107.04960	0.8
107.08559	1.5
109.02850	1.4
109.06509	1.4
109.10136	7.6
111.04422	10.2
113.05968	2.4
115.05436	0.6
116.06236	0.9
117.06980	0.5
119.08541	1.5
121.06477	2.0
121.10168	0.9
123.04413	1.3
123.08022	1.5
123.11739	0.8
125.05943	0.6
127.03901	2.4
129.06970	1.3
131.08543	0.8
133.06453	2.0
133.10117	1.0
135.04442	2.3
135.08029	0.6
135.11632	0.5
137.05954	1.8
137.09575	4.3
139.05344	0.5
140.06157	3.5
141.06964	1.6
143.08580	0.8
145.10130	0.5
147.08022	0.8
147.11673	0.6
149.05943	1.3
151.07489	1.6
152.06172	5.3
153.05438	5.4
153.06964	8.9
154.07747	0.5
155.05008	0.6
155.08519	2.8
157.04933	2.9
157.06393	0.8
157.10130	0.5
161.05986	0.7
161.09482	0.5
165.05589	1.0
165.06989	4.6
165.09103	1.8
166.07297	0.5
167.08492	0.6
168.05687	36.0
169.06494	2.9
169.10088	1.5
171.11604	0.6
175.07529	2.6
179.07036	0.8
180.05644	0.8
180.89886	0.5
181.06493	2.4
181.09930	0.5
182.07219	0.9
183.08034	29.5
183.11653	1.7
185.05888	6.4
193.06464	1.9
193.08492	1.1
195.04411	0.9
196.05177	23.1
197.05952	5.8
197.13252	1.4
197.40977	0.4
207.04341	0.5
208.05196	1.2
209.05913	0.7
211.07518	66.9
212.07915	2.3
221.06032	0.6
221.07996	1.0
221.11610	0.5
221.15326	0.8
223.34689	0.4
224.04642	6.5
225.05408	2.8
239.06998	100.0
239.09003	5.9
239.12625	3.4
239.17955	5.9
240.07706	7.3
242.27022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01850	2.0
55.05506	6.9
57.03418	1.5
57.07067	1.1
58.59582	0.4
59.04980	0.5
63.52554	0.5
65.03918	1.2
67.05495	8.2
69.03415	5.2
69.07052	2.0
70.06554	0.5
71.01337	1.0
71.04983	2.8
71.08618	0.5
71.31134	0.8
79.05476	1.9
81.03400	1.3
81.07036	6.2
83.04968	33.1
83.08602	0.9
85.02876	2.5
85.06514	0.9
91.05468	2.4
93.07047	2.2
95.04962	6.8
95.08585	4.2
97.02878	1.0
97.06521	2.2
97.10128	0.5
99.04434	3.0
99.08080	0.9
105.07005	2.8
107.04960	0.8
107.08559	1.5
109.02850	1.4
109.06509	1.4
109.10136	7.6
111.04422	10.2
113.05968	2.4
115.05436	0.6
116.06236	0.9
117.06980	0.5
119.08541	1.5
121.06477	2.0
121.10168	0.9
123.04413	1.3
123.08022	1.5
123.11739	0.8
125.05943	0.6
127.03901	2.4
129.06970	1.3
131.08543	0.8
133.06453	2.0
133.10117	1.0
135.04442	2.3
135.08029	0.6
135.11632	0.5
137.05954	1.8
137.09575	4.3
139.05344	0.5
140.06157	3.5
141.06964	1.6
143.08580	0.8
145.10130	0.5
147.08022	0.8
147.11673	0.6
149.05943	1.3
151.07489	1.6
152.06172	5.3
153.05438	5.4
153.06964	8.9
154.07747	0.5
155.05008	0.6
155.08519	2.8
157.04933	2.9
157.06393	0.8
157.10130	0.5
161.05986	0.7
161.09482	0.5
165.05589	1.0
165.06989	4.6
165.09103	1.8
166.07297	0.5
167.08492	0.6
168.05687	36.0
169.06494	2.9
169.10088	1.5
171.11604	0.6
175.07529	2.6
179.07036	0.8
180.05644	0.8
180.89886	0.5
181.06493	2.4
181.09930	0.5
182.07219	0.9
183.08034	29.5
183.11653	1.7
185.05888	6.4
193.06464	1.9
193.08492	1.1
195.04411	0.9
196.05177	23.1
197.05952	5.8
197.13252	1.4
197.40977	0.4
207.04341	0.5
208.05196	1.2
209.05913	0.7
211.07518	66.9
212.07915	2.3
221.06032	0.6
221.07996	1.0
221.11610	0.5
221.15326	0.8
223.34689	0.4
224.04642	6.5
225.05408	2.8
239.06998	100.0
239.09003	5.9
239.12625	3.4
239.17955	5.9
240.07706	7.3
242.27022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89867	2.5
55.01870	3.3
55.05502	24.5
57.03432	7.2
57.07058	6.9
65.03943	5.7
67.05496	20.6
69.03418	10.2
69.07061	13.6
69.87238	12.6
69.87659	7.8
70.06578	12.9
71.04983	19.9
71.08616	3.5
79.05493	18.9
81.07058	27.0
83.04964	12.3
84.08135	20.7
85.02882	5.6
85.06525	6.0
89.06047	6.3
91.05471	22.1
93.07037	26.2
95.04958	10.3
95.08601	29.3
96.08121	6.2
98.09675	7.4
101.06006	3.4
105.07014	39.3
107.04936	6.0
107.08562	38.2
109.06508	22.3
109.10120	16.8
111.04421	7.3
111.08075	4.7
117.07022	6.6
119.04951	3.9
119.08591	24.8
121.02858	100.0
121.03766	5.2
121.06490	36.4
121.10127	10.4
123.08057	36.6
123.11727	5.2
123.30354	3.1
124.11205	14.6
125.05943	4.3
125.09635	4.7
129.07016	4.1
131.08527	7.0
133.06480	9.5
133.10115	31.1
135.08029	62.6
135.11676	5.9
137.05968	6.3
137.09586	18.8
137.13220	4.5
139.03929	12.0
141.06950	3.3
143.08569	3.9
145.10094	5.1
146.07259	4.2
147.04298	2.7
147.08002	7.3
147.11671	43.2
149.09563	6.2
150.12778	10.1
151.07506	5.4
151.11183	9.7
157.10158	12.2
159.11623	6.0
160.08772	6.0
161.09625	10.8
163.07515	4.5
163.11133	4.6
164.14409	6.9
165.05524	3.8
165.12717	15.9
169.40118	3.4
175.11163	75.7
177.12704	5.5
179.06999	8.0
179.10686	8.0
181.08575	4.6
181.58150	3.3
193.12198	70.9
195.10097	9.1
197.08113	3.1
202.86752	3.4
203.10718	8.5
207.18520	50.2
221.11682	34.7
221.15237	4.7
239.08986	4.7
239.12607	17.5
239.21136	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1275
Annotation	Stachyline D
Peak:m/z	Relative Intensity
53.03925	3.2
55.05493	10.9
55.52240	2.7
57.03419	7.0
57.07061	6.1
67.05479	12.0
69.03405	9.6
69.07055	6.8
70.12494	9.8
71.04971	11.5
79.05495	18.2
81.07037	22.0
85.06522	6.0
87.04429	5.6
89.05988	11.6
91.05454	24.1
93.07029	33.5
95.04926	8.2
95.08580	25.1
97.06536	3.2
105.07012	56.7
107.04921	4.4
107.08579	41.8
109.06499	33.2
109.10111	15.6
114.09641	2.6
115.57825	2.7
117.06996	5.9
119.04981	2.8
119.08560	31.8
121.06495	46.7
122.07222	4.3
123.08056	34.4
123.11683	6.0
125.09614	4.8
129.06970	3.5
131.08539	9.0
133.06487	8.6
133.08580	4.7
133.10109	52.1
135.08029	100.0
135.11638	3.2
137.05882	2.6
137.09573	21.3
137.13216	4.0
139.07458	2.7
142.07756	9.9
145.10008	3.6
146.07161	3.1
147.08022	6.0
147.11664	47.4
149.09604	5.9
151.07472	8.4
151.11143	6.6
157.10104	23.3
157.32565	2.5
159.11678	8.3
160.08844	3.2
161.09569	12.0
161.11864	3.0
163.03801	4.5
163.07486	4.2
163.11147	5.9
165.12708	17.3
175.09674	5.7
175.11156	94.1
176.11504	3.2
177.12775	6.4
177.72322	3.0
179.10622	4.6
181.08542	3.1
193.12215	78.1
203.10629	11.6
207.18381	3.4
221.11699	45.0
239.08948	5.1
239.12801	24.4
239.21172	2.7
256.08801	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1273
Annotation	Stachyline D
Peak:m/z	Relative Intensity
50.87085	1.3
55.05490	7.0
57.07053	4.0
67.05482	7.1
69.03413	3.7
69.07045	2.8
70.06573	3.3
70.91270	4.2
71.04980	2.9
77.36533	1.6
79.05466	7.1
81.07044	12.0
83.04970	3.0
85.06528	3.5
89.03889	1.4
89.06068	1.6
91.05439	9.5
93.07003	6.9
95.04955	3.0
95.08592	8.6
105.07008	23.1
107.04910	2.9
107.08573	15.3
109.06480	12.4
109.10122	6.1
111.08038	2.1
113.49525	1.6
117.06985	2.8
118.03754	2.0
119.08554	14.8
121.06480	17.4
121.10107	4.5
122.07257	6.2
123.08035	8.3
123.11597	2.1
125.09609	2.3
131.08566	2.9
133.06479	2.9
133.10086	14.8
135.04457	2.1
135.08029	100.0
135.11650	1.9
136.08403	2.6
136.16466	1.6
137.05946	2.4
137.09596	29.3
142.07724	2.0
143.00163	3.2
146.03183	1.7
147.08028	2.2
147.11655	17.9
149.09586	3.8
151.07526	2.3
151.11150	2.9
157.10063	6.2
160.08792	2.9
161.01199	3.0
161.05905	1.8
161.09598	3.3
163.03903	8.4
163.07491	3.5
164.04211	4.2
165.12735	6.1
175.11151	31.9
177.05408	3.7
177.12695	3.1
178.05759	5.5
179.10564	3.0
181.08595	12.3
193.12210	27.3
203.10625	5.3
221.11697	16.0
239.06831	2.4
239.08920	2.4
239.12723	6.1
244.37434	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03931	6.7
55.01855	4.2
55.05505	33.1
56.05004	4.0
56.96566	19.3
57.03435	9.3
57.07063	20.8
59.04985	19.0
61.64538	3.3
65.03941	4.1
67.05497	44.8
67.05837	5.0
68.55151	2.9
69.03413	14.5
69.07056	43.8
69.80893	21.3
69.81299	6.0
70.06586	3.5
71.04989	18.0
71.08626	5.7
73.06546	3.4
79.05482	18.2
81.07046	100.0
82.72424	3.1
83.04966	38.2
83.08596	24.2
85.02880	6.2
85.06525	14.3
86.09690	18.4
89.06010	8.1
91.05471	14.1
92.20174	3.0
93.07039	31.9
95.04948	18.7
95.08598	86.4
97.06516	13.0
97.10175	20.6
98.21499	3.9
99.04440	5.2
99.08086	7.7
105.07011	28.9
107.08584	28.3
109.02885	6.9
109.06497	10.6
109.10138	54.9
111.04427	11.0
111.08084	9.9
111.11723	10.8
113.00559	10.7
113.05967	8.1
113.09650	4.7
117.06959	3.7
119.08578	30.3
121.06466	6.0
121.10133	26.9
123.08038	15.6
123.11677	41.3
125.09629	8.0
127.07504	4.3
127.11165	3.2
133.06541	4.5
133.10085	24.7
135.11681	22.7
137.05940	5.5
137.09599	15.7
137.13235	46.4
139.11156	10.3
145.10120	6.5
147.11711	20.3
149.09618	5.2
149.13274	9.4
151.07536	3.3
151.11139	9.7
153.05475	6.0
153.12785	5.4
155.08519	4.2
157.10089	4.7
161.13223	10.9
163.14775	19.9
165.06969	4.7
165.09113	4.8
165.12749	7.7
165.49405	3.3
169.10155	7.7
175.14738	4.7
177.16446	8.1
179.14363	6.7
183.04718	10.6
183.11659	10.5
196.05226	3.2
197.13234	10.2
203.17953	32.4
209.13319	3.3
211.07565	4.7
213.07945	12.0
221.11699	3.4
221.15346	6.5
221.18970	35.9
231.08975	19.9
239.06873	11.5
239.08871	7.0
239.10846	8.1
239.14372	6.2
239.17987	13.9
239.20113	21.4
240.07874	7.2
257.06918	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	239.2002
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.40248	2.3
52.84993	2.3
53.03927	3.3
55.01866	3.6
55.05502	29.4
57.07067	17.6
59.04992	2.7
66.33659	2.3
67.05494	44.2
69.03411	3.4
69.07058	95.2
71.04987	12.8
71.08630	5.9
71.67813	5.1
79.05474	17.4
81.07041	97.7
83.04961	11.1
83.08595	24.5
85.06538	5.6
89.06024	7.0
91.05461	13.3
93.07030	29.7
95.04948	6.6
95.08589	100.0
97.06517	8.9
97.10165	17.6
99.04442	2.8
99.08105	3.8
101.06033	6.9
103.67406	2.2
105.07010	26.5
107.08578	34.2
109.06494	7.4
109.10140	82.7
111.04456	4.0
111.08045	11.5
111.11697	28.6
113.09632	2.7
115.07505	4.5
119.08556	27.4
121.10124	27.3
123.08047	15.5
123.11689	40.8
125.09585	6.3
127.07550	4.6
127.11108	2.5
129.09071	3.4
133.10104	20.0
135.11711	8.3
135.49266	2.6
137.09593	13.4
137.13245	12.9
139.11188	7.6
141.09108	10.0
147.11668	28.6
149.13264	6.9
151.11256	5.6
155.10654	9.8
161.13239	9.5
163.14851	15.9
164.57851	2.4
165.12747	11.9
169.10089	5.6
175.14821	3.8
179.07068	2.8
183.11653	4.1
193.19490	3.6
197.13237	4.9
203.17909	41.3
211.07497	3.5
211.20380	2.7
221.18944	32.1
225.12993	2.5
239.06856	5.0
239.08875	10.0
239.17923	7.6
239.20010	51.2
242.25539	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	240.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71159	0.3
56.96553	1.2
57.03421	0.7
57.07037	0.4
60.78315	0.3
61.80143	0.3
62.67354	0.4
65.03927	0.6
70.06573	0.8
70.17304	1.8
72.93790	0.5
74.36413	0.3
79.05492	0.5
80.04997	2.8
81.07040	1.1
84.08110	0.8
91.05475	0.6
93.06991	0.4
94.06614	0.4
96.04475	2.2
97.02868	0.5
98.97586	0.6
103.03961	0.4
105.07014	1.4
110.06023	1.0
116.98619	0.9
120.08138	0.8
124.03933	100.0
125.04269	1.2
129.06944	0.6
129.07864	0.3
130.06535	0.4
132.08080	1.4
138.05542	0.3
148.07568	0.4
149.05878	0.4
152.07048	0.4
157.47948	0.3
163.03859	1.1
167.52029	0.4
194.11676	4.3
240.04974	19.8
240.12160	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	240.1146
Annotation	Monalide
Peak:m/z	Relative Intensity
55.01864	7.9
55.05499	1.3
65.03935	1.0
67.05508	4.0
68.05023	8.4
69.05805	0.9
69.07040	1.7
70.06572	2.0
79.05470	4.4
80.05007	4.1
81.07024	3.1
82.06547	0.8
82.69011	0.8
83.08649	1.0
91.05448	2.6
93.07006	2.1
94.06561	3.0
95.04977	1.0
95.08573	1.3
96.08096	1.4
105.07031	0.8
106.06563	8.5
107.08606	0.9
108.08106	18.2
109.05219	1.6
109.06462	0.9
109.10136	1.7
109.96008	0.8
117.06977	0.8
118.06527	5.5
120.08097	5.0
121.08828	2.8
121.10114	0.8
122.06014	16.2
122.09676	1.3
132.08037	1.5
133.08826	1.0
134.09631	4.1
136.07556	29.0
148.11191	2.7
150.12781	4.1
158.03638	2.1
163.13504	2.5
171.02986	1.2
171.04436	22.1
172.05141	2.4
176.14328	18.9
181.06496	1.8
183.04399	1.9
183.08055	0.9
185.05949	8.1
198.06728	1.5
204.13773	4.6
207.12718	1.1
212.07677	1.2
212.12022	5.7
213.08983	1.4
226.06203	19.0
229.50771	0.9
240.11467	100.0
240.23224	1.8
241.08583	22.2
241.11887	2.2
242.28163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0853
Annotation	Lusianthrin
Peak:m/z	Relative Intensity
55.05486	0.8
64.45679	0.4
67.05450	0.3
69.07062	0.7
69.65038	2.2
71.04970	0.4
72.97826	0.3
79.05451	0.5
81.07014	0.6
83.08592	0.3
93.03694	0.6
93.06985	0.6
93.24644	0.3
95.08554	0.5
98.20697	0.5
109.10114	0.3
112.54488	0.3
119.08504	0.4
121.10133	0.6
129.06972	0.6
131.08508	0.3
137.09523	0.3
139.11186	0.4
140.83804	0.4
141.06941	0.3
144.05711	0.4
152.06186	2.7
153.06949	4.0
156.09277	0.4
157.06444	1.3
165.06969	1.6
167.08545	1.1
169.06435	1.1
170.07224	4.0
171.08011	0.5
171.11671	0.6
177.06909	0.8
180.05661	0.4
181.06447	69.9
182.07234	2.4
183.07976	1.6
184.05112	0.9
185.05948	0.7
185.09544	0.5
185.13272	0.4
193.06471	0.4
195.08037	1.8
197.06001	3.0
198.06717	9.0
199.07280	0.3
208.05159	0.8
209.05939	33.0
210.06715	21.2
210.08800	0.7
210.09680	0.4
211.07236	0.5
213.05461	1.5
213.08992	2.9
223.07610	0.4
225.05453	0.5
226.06206	31.0
227.06732	1.3
240.07906	0.5
241.08554	100.0
241.19460	0.9
242.05696	0.4
242.08861	2.3
256.47745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0854
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
51.33548	1.1
55.01596	1.3
55.01862	24.4
55.05489	1.3
57.07038	1.1
66.17768	1.1
67.05486	1.7
67.61715	0.9
68.99770	2.5
69.07061	1.7
69.68316	4.7
69.68746	3.1
83.04955	1.3
93.03703	1.6
93.06988	1.3
95.08591	1.1
105.06989	1.1
107.01572	0.9
109.10106	2.5
115.05505	1.1
123.86233	1.0
128.06203	3.4
128.86789	1.0
129.07013	1.7
137.09541	1.3
141.06963	2.4
142.07759	2.1
145.10089	1.5
152.06180	19.9
153.06976	9.8
154.07661	1.4
155.08525	2.3
156.05708	1.8
157.06502	1.9
158.07198	3.4
165.06985	9.2
167.08514	2.9
168.05637	1.3
169.06473	4.4
170.07220	8.8
171.08023	38.6
177.06944	1.9
180.05695	9.7
181.06447	43.7
182.07246	7.7
183.08057	3.0
184.05217	2.4
185.05911	2.3
185.09601	4.3
195.08017	42.0
197.05951	8.0
198.06723	20.2
208.05183	6.7
209.05952	14.2
210.06757	10.0
213.05553	1.9
213.09073	39.4
223.07513	6.3
226.06210	37.9
226.08382	2.2
227.06837	1.7
241.08559	100.0
241.15701	2.4
241.19582	3.2
242.08809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0855
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01865	25.3
68.99776	1.9
69.68513	6.7
107.72134	1.0
128.06209	2.9
129.06996	1.5
141.06963	2.6
142.07747	1.2
145.06427	0.9
152.06177	18.8
153.07004	9.7
154.07721	1.6
155.04875	1.5
155.08528	1.0
156.05705	1.1
158.07278	2.6
165.06982	11.6
166.07770	1.6
167.08534	3.0
168.05748	1.4
169.06458	3.2
170.07266	8.4
171.08029	38.7
175.07495	1.1
177.06952	1.4
180.05664	8.1
181.06453	42.2
182.07227	10.0
183.08015	3.1
184.05159	1.6
185.05928	3.4
185.09549	4.6
193.06523	1.2
195.08026	42.2
197.05933	9.0
198.06732	21.5
199.07480	1.5
208.05133	7.0
209.05925	10.6
210.06705	8.0
211.07358	0.9
213.09077	41.1
214.29118	1.0
218.93167	0.8
223.07477	8.7
226.03983	1.7
226.06224	35.4
227.06842	2.1
241.08565	100.0
242.09016	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	241.143
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.04926	1.5
53.03923	1.3
55.05505	11.9
57.07042	2.0
64.08492	1.2
67.05485	10.1
69.03399	9.7
69.07047	5.6
71.04975	3.9
71.19810	3.0
79.05450	6.9
81.07039	11.8
83.04951	3.8
83.08599	2.2
89.75784	1.1
91.05457	8.3
93.07023	25.7
95.04950	5.0
95.08586	16.7
97.06490	1.7
98.97560	1.5
103.05473	1.5
105.06985	6.2
107.08574	52.3
108.05688	1.5
109.06488	4.0
109.10146	14.2
110.86686	1.3
111.08050	4.3
113.05962	1.4
117.07025	1.5
119.08548	25.4
121.06476	22.8
121.10114	17.8
122.07249	5.9
123.08057	23.8
125.09626	2.2
128.06143	1.3
131.08539	3.2
133.10101	10.6
135.08026	51.5
135.11662	46.8
137.09587	79.1
138.09973	1.4
139.07513	2.2
144.09288	3.1
145.10153	1.3
147.09198	1.4
148.90204	1.5
148.92723	1.4
149.13228	40.7
153.09093	1.9
153.12733	1.7
159.11667	23.2
163.05780	1.3
163.07468	2.8
163.11137	3.9
167.06888	1.3
167.80028	1.4
177.12709	100.0
181.07201	1.1
181.08553	8.5
195.13760	18.4
199.00809	1.3
205.12167	10.5
223.13260	28.2
226.06287	1.4
241.08440	1.9
241.14302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03919	2.7
55.05502	17.0
56.96548	7.0
57.07049	3.6
67.05486	20.7
69.03418	15.3
69.07052	13.0
71.04967	5.1
71.69727	5.0
75.09294	2.7
79.05486	16.7
81.03380	3.1
81.07051	15.1
83.04981	5.4
83.08568	2.9
85.02882	3.0
85.06544	4.1
91.05453	16.0
93.03716	5.9
93.07032	30.3
95.04942	10.0
95.08595	21.3
97.02888	4.8
97.06551	5.8
97.45502	2.4
98.97565	6.1
99.04433	7.3
105.06999	15.5
107.04923	8.7
107.08579	54.0
109.06507	10.1
109.10168	13.8
111.08071	3.9
115.05413	3.4
116.98624	3.0
117.06992	7.3
119.08554	29.7
121.06492	30.5
121.10123	20.6
122.07261	6.2
123.08057	29.3
125.09611	14.0
128.06223	4.0
129.06982	8.5
131.08540	6.7
133.10059	13.3
135.08037	54.2
135.10641	2.8
135.11668	51.5
137.09592	88.0
139.07492	7.6
139.11163	5.4
141.06978	5.2
142.07674	2.7
143.08498	6.6
145.06461	2.6
145.10089	6.8
149.05844	2.6
149.09660	2.5
149.13223	35.8
153.06944	8.0
153.09010	3.6
154.07748	3.5
155.08469	8.0
157.10117	7.2
159.11670	24.1
162.04327	3.3
163.07562	6.0
163.11166	8.1
165.06981	16.8
166.07666	2.7
167.07083	5.8
167.08531	10.1
169.10110	6.6
171.08040	3.9
177.12723	100.0
178.13109	3.0
180.09326	12.3
181.06387	7.7
181.08537	7.1
181.10054	5.5
181.12186	5.9
183.10060	4.6
185.13255	4.8
191.06990	7.8
195.08061	6.4
195.11665	39.3
195.13762	28.2
197.13272	3.3
197.17307	7.7
205.12190	11.4
208.08856	2.9
213.05449	4.1
213.09035	6.1
213.12744	6.8
223.09344	3.4
223.11127	5.7
223.13158	34.1
226.06180	4.6
231.87306	2.5
232.91792	2.5
241.04881	4.2
241.08459	25.4
241.12082	22.7
241.14163	5.2
241.19659	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	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01848	2.2
55.05495	17.7
56.96555	3.7
57.03430	3.4
57.07060	4.8
60.23460	1.4
65.03918	1.9
67.05488	13.3
69.03415	15.5
69.07049	11.0
69.72556	5.9
69.72991	7.1
71.04982	3.9
78.21712	1.6
79.05469	14.5
81.03413	1.7
81.07043	19.4
83.04951	5.3
83.08606	3.6
85.02891	4.3
85.06526	6.7
91.05460	16.4
93.03716	4.1
93.07028	31.9
95.04948	7.3
95.08599	21.5
97.02865	3.8
97.06498	5.0
97.10143	2.3
98.21370	1.8
98.97574	2.9
99.04428	6.0
103.05487	2.4
105.07012	12.4
107.04933	10.1
107.08573	59.5
109.06482	10.0
109.10136	22.3
111.04433	5.3
111.08062	5.5
113.05943	2.9
114.09169	1.7
115.05475	2.4
116.98615	2.9
117.07006	6.5
119.08554	26.4
121.06489	24.2
121.10118	21.6
121.50797	1.6
122.07271	4.6
123.08043	32.4
125.05923	1.9
125.09606	10.6
128.06216	4.3
129.06955	5.1
131.04962	4.1
131.08549	8.2
133.10083	9.7
135.08031	57.5
135.09068	2.9
135.11668	55.9
137.09590	82.2
139.07527	4.6
139.11180	3.3
141.06989	4.9
142.07707	2.5
143.08568	5.2
144.09326	3.1
145.06503	3.1
145.10126	4.1
147.08049	2.0
149.05945	4.0
149.09581	1.9
149.13228	36.8
151.07512	2.1
152.06128	2.2
153.05499	1.7
153.06966	5.3
153.09074	3.1
153.12688	2.0
155.08517	4.8
157.06490	2.7
157.10117	4.6
159.11662	25.8
161.13266	1.8
162.04333	3.1
163.07521	5.0
163.11171	5.3
165.06987	10.5
165.09081	4.1
166.07687	2.1
167.07097	3.5
167.08557	6.2
169.10147	2.3
171.08028	2.1
171.11566	2.2
177.00667	2.7
177.12718	100.0
178.13170	2.1
180.09297	5.3
181.06468	7.8
181.08565	11.8
181.10101	4.4
181.12236	4.1
183.08073	2.3
183.10133	3.5
185.06261	1.5
191.07007	9.0
195.08003	4.5
195.11687	20.8
195.13799	19.7
197.09581	3.0
197.17294	7.2
198.06693	3.9
198.10355	1.8
205.12195	13.7
208.05154	1.9
209.06013	1.9
213.05489	3.6
213.09111	5.2
221.07527	5.2
223.09604	5.1
223.11322	2.4
223.13225	28.8
226.06113	4.6
230.08092	3.1
241.04900	4.0
241.08521	26.7
241.11987	14.6
241.14153	3.7
241.19727	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	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.7
57.07043	5.3
59.53588	2.1
65.03911	1.9
67.05489	14.3
69.03427	14.7
69.07062	10.3
71.04964	7.3
71.69817	3.1
72.08143	1.8
79.05468	11.1
81.07038	16.2
83.04957	2.9
85.06493	2.9
91.05448	11.8
93.03689	4.6
93.07022	35.3
95.04957	8.6
95.08587	21.2
97.06512	2.4
98.97543	3.7
99.04436	3.1
105.07008	10.2
107.04947	3.3
107.08571	56.9
109.06493	7.3
109.10117	17.2
111.04388	2.5
111.08037	4.5
115.05354	2.0
116.98584	3.9
117.06967	4.1
119.08559	27.3
121.06487	24.6
121.10120	21.0
122.07281	5.3
123.04417	2.3
123.08054	28.6
125.09560	3.6
129.06938	3.1
131.08537	4.5
133.10086	10.2
135.08026	65.2
135.11665	51.9
137.09587	95.9
138.09900	2.2
139.07542	4.3
145.10092	2.1
147.08040	2.9
147.09166	2.2
149.06015	2.0
149.09599	2.4
149.13225	46.3
157.10080	2.5
159.11659	28.6
163.07516	2.7
163.11136	4.8
164.39648	2.0
165.09044	3.2
167.07056	2.2
177.12715	100.0
178.08400	2.0
179.10670	2.5
181.08585	13.1
181.12263	2.5
195.07904	3.3
195.11964	2.9
195.13773	17.5
205.12193	13.4
213.05388	3.5
223.13232	29.3
241.04884	5.2
241.08603	7.5
241.14333	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	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05472	0.5
56.96554	3.2
57.03404	0.2
58.06588	16.8
61.02920	0.2
67.05460	0.4
69.03417	0.3
69.93003	1.5
70.06576	3.1
71.04991	0.3
72.08148	0.4
73.02881	0.4
79.05466	0.3
81.03394	0.4
83.04961	0.4
84.08127	10.0
84.95997	0.3
85.02883	0.6
86.09666	0.3
89.08339	0.3
91.05471	0.2
95.80569	0.2
97.02878	0.5
98.06020	0.4
98.09673	1.6
98.97552	2.0
99.04410	0.2
100.11250	0.4
110.07130	0.4
114.05492	0.5
116.07054	0.6
116.50250	0.2
116.98590	2.3
123.04369	0.6
124.03933	6.0
124.04751	0.4
124.99039	0.3
126.05481	0.4
126.09134	0.3
128.10687	3.7
128.98557	0.3
133.01579	0.2
134.99644	1.4
135.04375	0.3
139.03925	0.6
144.10214	1.2
146.99617	0.3
152.07083	0.4
152.10620	0.4
155.04584	0.6
157.02596	0.3
158.99655	0.2
161.01219	0.6
163.03874	1.1
168.10167	0.9
177.00641	0.4
189.00612	0.3
190.98598	0.5
195.12091	0.5
196.09648	5.0
213.15985	0.6
219.01714	0.4
241.15424	100.0
242.06551	1.0
242.09091	0.5
242.15701	1.5
258.99789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.2
68.04997	0.2
69.07032	0.2
71.15469	0.4
73.02887	0.4
78.03441	0.6
79.04229	0.2
80.05006	4.4
84.04504	0.2
96.04485	3.1
106.02885	1.8
119.03381	0.5
124.03931	100.0
125.04270	0.9
140.03383	0.2
152.25854	0.1
166.04996	0.3
207.57372	0.2
215.06937	0.2
219.43895	0.1
224.05511	0.2
224.33160	0.2
235.01202	0.1
242.06558	13.9
243.07048	0.3
264.04987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05490	0.3
59.04990	0.3
64.38940	0.3
65.03931	3.1
66.12659	0.3
66.97906	0.3
67.05513	0.4
68.99784	4.6
69.03426	0.3
70.06587	0.4
71.04974	0.3
71.45250	0.7
79.05475	0.4
79.63542	0.3
81.03426	0.6
81.07024	0.4
85.06512	0.3
86.09668	0.4
91.05476	1.5
95.04975	0.7
95.08595	0.5
97.06443	0.3
99.04453	0.6
100.62295	0.3
103.05451	0.4
105.07007	0.7
105.59613	0.3
107.04955	6.6
109.02925	0.3
109.10140	0.5
111.04454	0.6
115.05415	1.4
117.07030	0.8
119.04930	0.8
119.08508	1.4
121.02852	18.7
123.08013	0.3
123.11700	0.3
128.06229	0.4
129.06963	0.4
131.04906	1.8
131.08557	1.5
135.08092	0.4
137.09650	0.3
141.06960	6.7
144.05670	1.0
145.06468	2.1
147.04405	3.5
147.08075	2.8
149.02324	100.0
150.02690	1.3
151.11063	0.3
152.06244	0.3
155.08578	0.3
157.06436	0.5
159.08022	1.7
167.03380	1.3
168.05693	0.4
169.05095	0.3
169.06456	8.5
170.07294	0.3
173.05972	2.2
173.70537	0.3
183.08049	0.5
185.05945	0.8
187.07553	2.2
197.05963	11.5
197.07805	0.5
198.06511	0.5
200.04814	0.5
213.05426	1.1
215.07007	97.8
216.07420	1.6
235.18219	0.3
242.31079	0.3
243.06496	52.7
244.06912	1.7
244.09369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01862	1.3
55.05490	0.3
59.04990	0.3
64.38940	0.3
65.03931	3.1
66.12659	0.3
66.97906	0.3
67.05513	0.4
68.99784	4.6
69.03426	0.3
70.06587	0.4
71.04974	0.3
71.45250	0.7
79.05475	0.4
79.63542	0.3
81.03426	0.6
81.07024	0.4
85.06512	0.3
86.09668	0.4
91.05476	1.5
95.04975	0.7
95.08595	0.5
97.06443	0.3
99.04453	0.6
100.62295	0.3
103.05451	0.4
105.07007	0.7
105.59613	0.3
107.04955	6.6
109.02925	0.3
109.10140	0.5
111.04454	0.6
115.05415	1.4
117.07030	0.8
119.04930	0.8
119.08508	1.4
121.02852	18.7
123.08013	0.3
123.11700	0.3
128.06229	0.4
129.06963	0.4
131.04906	1.8
131.08557	1.5
135.08092	0.4
137.09650	0.3
141.06960	6.7
144.05670	1.0
145.06468	2.1
147.04405	3.5
147.08075	2.8
149.02324	100.0
150.02690	1.3
151.11063	0.3
152.06244	0.3
155.08578	0.3
157.06436	0.5
159.08022	1.7
167.03380	1.3
168.05693	0.4
169.05095	0.3
169.06456	8.5
170.07294	0.3
173.05972	2.2
173.70537	0.3
183.08049	0.5
185.05945	0.8
187.07553	2.2
197.05963	11.5
197.07805	0.5
198.06511	0.5
200.04814	0.5
213.05426	1.1
215.07007	97.8
216.07420	1.6
235.18219	0.3
242.31079	0.3
243.06496	52.7
244.06912	1.7
244.09369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70173	0.2
55.95045	0.2
56.96555	3.5
60.95826	0.3
70.87964	0.4
70.88333	0.4
71.95219	0.2
82.99837	0.2
89.95748	0.2
98.96959	0.4
98.97569	4.9
99.97888	0.8
100.02460	0.4
101.00877	1.6
102.00960	0.8
102.96846	1.1
103.15901	0.2
113.44683	0.2
116.98604	5.5
117.98912	0.9
118.03542	0.2
119.01900	11.0
120.01980	5.5
120.97882	1.4
121.01646	1.6
131.01891	0.4
134.99635	5.0
135.99960	1.7
137.02939	4.3
137.99269	0.2
138.03029	2.8
138.98929	1.1
139.02666	0.5
141.98923	0.2
142.03476	0.7
143.01891	0.5
145.03381	0.3
149.23470	0.2
153.00729	1.1
154.00986	0.6
157.03481	0.5
158.01173	0.3
158.99921	0.3
159.99991	1.0
160.04446	0.3
160.99652	0.4
161.02917	2.1
166.99805	0.2
173.03059	0.2
174.97609	0.4
176.03178	0.2
176.97414	0.3
177.00926	7.7
177.02501	0.4
178.01012	23.7
178.49541	0.3
179.00665	5.9
183.99947	0.4
185.02811	0.4
187.04401	0.3
192.98633	0.4
194.04211	0.4
194.98424	0.5
196.02020	0.3
197.01633	0.2
197.99168	0.3
199.04506	0.2
200.02579	0.2
201.02586	0.6
202.00948	1.4
202.02548	0.2
203.00729	0.4
203.03967	0.4
214.95537	0.7
215.95659	1.1
216.95337	0.6
218.04074	3.8
219.01967	4.8
219.03838	0.7
220.02080	25.1
221.01743	8.7
221.04277	0.3
221.05040	0.4
222.01941	0.2
226.00952	2.3
227.00632	0.4
232.96533	0.4
233.96666	1.1
234.96436	0.5
236.99408	0.4
238.48080	0.3
238.97208	0.4
238.99510	0.2
239.02007	0.3
239.05893	0.3
239.96948	0.3
241.05608	0.2
243.03700	0.8
243.55319	0.2
244.02019	7.3
245.01802	1.8
245.04886	1.2
247.96060	0.4
250.99237	0.2
256.96454	2.9
257.96640	0.6
261.03046	0.6
262.03149	100.0
263.02814	20.3
264.03546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43461	1.3
56.63288	1.3
56.96555	17.0
58.89111	1.4
58.99933	1.1
70.06551	4.2
72.08137	2.8
74.02435	6.4
74.97582	2.7
79.69910	1.2
84.04464	1.8
84.08118	11.0
85.02882	2.4
85.08450	4.8
86.09647	1.6
86.81460	1.3
97.02856	2.1
117.05737	19.8
121.06623	1.7
129.06981	7.9
130.06508	52.0
131.07343	6.5
143.07286	12.4
144.08070	19.6
144.70079	1.3
146.05847	1.5
150.99127	4.2
151.03862	1.6
154.06488	21.1
155.05981	10.1
156.06860	1.4
156.08054	27.1
157.06416	2.2
157.07593	24.8
158.06009	15.1
158.08336	8.9
161.04811	5.2
166.06435	1.6
167.07198	1.6
169.00186	4.0
169.05177	5.2
169.07544	4.1
171.09155	32.7
179.05830	1.8
181.07571	27.3
182.05983	4.5
182.08347	2.8
183.09180	14.9
185.07077	74.8
198.10248	32.1
199.08792	1.9
200.07037	3.1
208.09590	1.8
209.07066	14.1
216.07253	1.8
227.08118	100.0
228.08400	2.2
244.10913	22.7
244.17351	3.2
245.04437	4.4
245.09135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
56.96558	100.0
58.99857	1.9
61.02909	2.4
65.20154	1.3
69.03416	2.5
69.09489	1.6
70.06557	2.0
70.98122	7.0
71.04980	1.9
71.68140	1.5
71.68523	2.1
71.95262	15.4
72.08143	1.9
72.96030	7.8
77.00887	2.3
81.03413	1.4
84.08152	1.9
84.96017	6.4
85.02877	3.3
86.06046	1.5
86.99310	1.7
88.99156	5.2
89.00848	2.1
93.01598	2.2
97.02328	2.3
97.02881	7.5
97.04776	1.4
97.96773	2.1
98.97568	65.1
100.99117	1.7
101.00867	28.7
103.02444	1.6
104.10693	2.1
106.02882	1.7
109.01422	1.5
109.02882	1.6
112.99097	3.3
113.00858	4.4
115.02411	6.1
116.07101	1.7
116.98604	59.7
119.01900	86.4
120.02012	1.8
123.02670	1.7
123.04417	1.5
124.95477	8.5
125.04245	1.5
127.02406	4.5
127.77192	1.3
128.98604	3.4
129.03920	4.1
131.00177	6.2
131.01895	22.1
131.67323	1.3
133.03447	28.1
134.99634	37.4
137.02925	14.0
140.00162	2.7
142.03481	2.7
142.96483	20.8
143.01889	16.2
144.98045	1.5
145.01718	2.9
145.03424	22.1
146.99626	3.9
147.01399	2.8
147.05020	3.5
149.01205	6.6
149.03040	2.8
151.04471	4.6
153.00697	6.0
153.03687	3.3
155.01859	20.7
156.05379	4.7
157.03453	21.9
159.05009	9.8
160.97559	19.7
161.02908	27.0
162.99228	1.8
163.04498	7.1
163.54588	2.0
164.05119	2.7
165.00705	4.0
167.01872	9.4
169.03423	4.9
170.95970	9.7
171.05028	7.5
173.02937	23.9
174.99185	8.2
175.04536	8.4
177.00697	2.8
177.06067	5.8
178.04860	7.9
178.55081	2.0
178.98607	2.9
179.01927	6.1
184.04553	1.9
184.97586	5.8
185.02936	66.3
186.04707	1.8
187.04492	10.2
188.97044	70.0
189.00699	3.9
190.52217	1.7
190.98691	3.0
191.02330	1.6
191.03984	3.3
193.00191	13.8
195.07091	7.3
196.04590	1.6
197.02921	27.3
199.36809	1.3
202.98618	20.4
203.03981	18.9
206.98111	52.4
208.04518	4.8
211.98602	1.7
213.05814	5.0
215.04001	8.1
220.99667	13.7
221.03146	1.7
221.05070	9.0
224.99213	3.9
227.04070	3.5
230.98055	7.1
245.05011	51.2
245.08458	14.2
248.99030	2.8
263.06146	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	245.0804
Annotation	2,2'-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
53.03934	1.3
55.01871	1.6
55.05487	0.7
59.53373	0.6
65.03932	1.3
67.05490	5.5
68.99776	10.1
69.03409	0.7
69.07047	2.7
70.06573	1.0
71.69579	1.0
72.08135	1.8
79.05470	1.7
80.05024	0.8
81.03402	4.2
81.07063	0.7
83.04963	3.5
85.02843	0.7
86.09691	18.9
86.10195	1.2
91.05466	8.3
95.04953	11.1
97.02866	1.6
103.05429	1.1
105.03358	0.8
105.07011	9.1
107.04924	6.6
109.02862	1.7
111.00793	2.9
114.03732	0.9
115.05432	2.3
119.04910	6.7
120.05691	4.7
120.08071	0.7
121.02875	2.4
121.06571	0.6
123.04409	61.3
124.04676	0.7
127.03912	3.3
128.06200	0.9
129.06993	1.4
131.04900	1.0
131.08514	1.0
133.06470	33.3
137.02322	0.9
139.03844	1.0
141.06976	0.6
141.89549	0.7
142.03209	4.2
143.08507	0.6
144.05733	0.7
147.04379	1.5
147.07994	1.2
151.03879	100.0
152.04251	0.7
152.06174	1.4
153.06966	2.9
157.06473	5.4
159.08032	2.5
161.05954	13.7
163.03900	1.0
171.05574	1.5
171.08105	1.4
175.07545	1.0
181.06448	5.1
185.05923	3.1
199.07533	7.3
203.03307	1.5
203.07004	3.6
209.05948	1.6
213.05499	0.8
217.05017	0.8
217.07623	0.9
227.06985	6.7
245.04416	10.1
245.08049	55.1
245.13443	2.9
246.08385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0805
Annotation	2,2'-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
51.02390	0.6
53.03931	1.6
55.01852	1.5
55.05492	0.7
56.96549	1.6
62.17682	0.6
65.03915	1.3
66.86900	0.6
67.01842	0.6
67.05486	6.9
68.99783	10.5
69.03416	1.1
69.84969	3.7
70.06580	1.0
72.08126	1.9
77.03910	0.5
79.05460	1.9
80.05013	0.7
81.03410	5.0
81.07017	0.9
83.04983	4.1
84.08133	0.8
85.02894	0.7
86.09686	13.7
90.04660	0.6
91.04932	0.8
91.05460	10.8
93.07021	0.9
95.04948	13.8
95.08588	0.8
97.02859	1.2
97.03964	0.8
97.10239	0.6
98.20660	0.7
98.97546	0.8
103.05427	1.0
103.81493	0.6
105.07008	8.4
107.04938	7.4
107.08593	1.1
109.02859	2.6
109.93038	0.6
111.00768	3.7
111.04426	0.6
115.05438	2.5
116.98540	0.7
117.03353	1.7
119.04927	6.0
119.08562	0.9
120.05697	4.1
121.02829	3.1
121.06487	0.8
123.04404	63.3
124.04727	1.0
124.99065	0.8
125.02328	1.0
127.03864	4.4
127.20509	0.5
128.06198	2.2
129.06978	2.0
131.04865	1.1
131.08536	1.4
133.06462	34.4
134.06859	0.9
135.04408	1.1
139.03888	1.2
141.06940	1.0
142.03178	0.8
143.00188	2.1
143.08537	1.3
144.05699	0.7
145.02811	3.3
145.06430	0.8
147.04390	2.0
147.08014	1.3
149.06006	1.4
150.02736	0.7
151.03876	100.0
152.04372	1.8
152.06285	0.8
153.06963	3.8
155.08435	0.6
157.06444	6.9
159.08014	2.2
161.01158	2.2
161.05952	16.6
166.06680	0.7
167.67554	0.5
169.06371	1.0
171.08038	2.0
175.07532	1.1
177.05443	6.6
178.05711	0.7
181.06468	6.4
185.01183	1.5
185.05974	2.5
185.09596	0.8
189.05482	0.8
189.29732	0.6
199.03812	0.9
199.07492	9.0
199.10811	0.7
199.14784	1.3
203.03409	0.7
203.06953	3.3
209.05962	1.4
215.07025	0.8
217.04935	0.8
217.07678	1.6
227.06824	3.8
227.08830	7.8
227.14185	1.0
245.04391	9.3
245.08037	53.7
245.11977	1.4
245.15372	2.1
246.04604	0.7
246.08389	1.7
249.02805	0.7
267.03931	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1169
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
51.02373	1.1
53.03940	3.8
55.01867	0.8
60.72197	0.3
65.03928	1.0
67.05479	0.3
68.48480	0.4
70.10950	2.0
77.03917	1.2
77.10944	0.3
79.05483	2.5
79.88104	0.3
81.03418	0.4
81.07031	0.6
85.02877	0.3
91.05466	22.7
93.07029	23.4
95.04953	8.7
95.05569	0.4
103.05449	22.5
105.04493	1.5
105.07043	0.6
107.04935	18.8
108.05768	2.1
109.06509	2.8
118.04120	1.5
119.04923	2.5
121.06485	100.0
122.06794	0.8
123.04429	0.6
123.08037	6.1
125.05952	1.6
133.06477	4.6
135.04314	0.5
136.05182	4.1
137.05952	49.3
138.06754	3.6
139.07538	1.9
145.45792	0.3
151.07516	56.2
152.07851	0.5
185.09575	1.0
195.08051	0.6
213.09065	2.3
227.10623	1.5
245.11694	51.0
246.11961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.117
Annotation	Stilbostemin A
Peak:m/z	Relative Intensity
53.03922	2.8
55.01846	1.1
55.05492	2.1
57.03412	3.2
65.03918	1.3
67.05476	1.1
68.99785	5.3
69.03416	2.6
70.03091	5.6
71.91959	1.2
72.08138	2.3
79.05484	13.7
81.07036	7.7
91.05460	23.9
93.07027	15.3
95.04955	7.7
97.10143	1.4
98.20671	1.1
103.05450	21.8
105.04463	1.5
105.07011	21.6
107.04939	12.2
107.08502	1.4
109.06508	11.6
111.04420	1.0
119.04921	4.3
120.05697	4.0
121.06483	100.0
122.06841	1.3
123.04409	12.4
123.08046	3.6
125.05862	1.1
125.09612	1.3
133.06439	2.1
135.08029	56.2
136.05182	2.3
136.08377	1.1
137.05954	98.9
138.06529	1.4
139.07498	1.4
143.08469	1.1
151.07515	27.6
159.07986	1.6
159.11690	1.2
195.07964	1.0
213.09033	3.5
218.96635	1.0
227.10588	1.7
245.04599	1.5
245.11693	44.4
245.18892	1.8
265.70093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.117
Annotation	Stilbostemin A
Peak:m/z	Relative Intensity
53.03934	1.4
55.01843	0.5
55.05502	1.1
57.03426	3.4
60.06419	0.4
65.03934	1.6
67.05480	1.5
68.99780	8.4
69.03405	2.2
69.07044	0.9
69.68916	1.5
69.69347	2.1
72.08141	1.0
77.52809	0.4
79.05484	12.4
81.03378	0.6
81.06600	0.8
81.07041	9.9
83.04934	0.7
83.08629	0.5
86.06051	1.0
91.05466	16.6
93.07019	2.6
94.04158	1.3
95.04961	4.3
95.08587	1.4
103.05460	7.8
105.04488	0.5
105.07014	30.2
106.04134	0.5
107.04929	1.8
107.08567	1.8
109.06499	14.4
111.04453	0.9
113.18584	0.5
116.10682	1.0
117.11047	0.5
119.04912	6.9
119.05798	0.7
119.06084	0.8
119.08545	0.8
120.05706	4.9
121.06487	69.2
122.06819	1.4
123.04405	14.0
123.08035	1.6
124.05229	0.8
128.06171	0.7
129.07039	1.1
131.08521	0.9
133.10085	0.9
135.08031	70.6
136.08382	0.9
137.05951	100.0
138.06302	1.0
141.06941	0.5
142.03241	0.6
143.08557	1.3
145.10095	1.7
147.11664	0.5
149.05984	1.0
157.10100	1.2
159.08020	0.9
159.11664	0.9
161.09633	0.9
167.08571	0.5
171.11679	0.8
175.14769	0.8
185.09604	0.8
185.13219	1.1
187.07632	0.7
195.07976	0.6
199.11124	1.6
199.14752	1.2
213.09036	3.1
217.12399	0.5
220.58487	0.4
227.10646	4.4
227.14490	2.0
245.11700	29.2
245.15434	4.9
245.18617	0.8
245.22673	1.4
246.12138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1855
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03928	0.7
53.24147	0.3
55.01855	0.5
55.05486	0.3
56.05035	0.4
56.96560	0.4
58.06583	0.4
58.72955	0.2
65.03928	0.5
67.05484	1.2
68.99781	1.8
69.03424	0.6
69.07059	10.2
70.06575	0.8
70.88377	0.7
72.08142	1.1
79.05466	0.5
80.05003	0.3
80.45830	0.3
81.03400	2.1
81.07059	0.5
83.04971	0.9
84.04488	0.3
85.02899	0.3
86.06100	0.4
86.09695	100.0
87.10025	0.7
91.05470	6.7
93.07017	0.4
94.34425	0.3
95.04951	2.1
95.08608	1.0
97.02950	0.4
105.07024	2.1
107.04932	1.7
109.02917	0.3
111.00787	0.8
111.04443	0.4
113.31759	0.2
114.03719	0.3
115.05490	0.9
116.98631	0.4
117.06998	0.3
119.04944	0.9
119.08536	0.5
120.05710	0.6
121.02871	0.9
121.10085	0.4
123.03505	0.5
123.04414	11.1
125.02291	0.3
127.03902	0.8
128.06245	0.5
129.07002	0.8
131.04944	0.5
131.08627	0.4
132.10173	1.9
133.06482	6.1
133.10133	0.5
134.99657	0.4
135.04405	0.4
135.15483	0.3
141.06906	0.4
142.03204	2.2
142.06799	0.5
143.08565	0.6
145.06418	0.4
147.04425	0.6
149.02330	0.6
151.03883	15.3
152.04277	0.4
153.06995	0.7
157.06506	1.1
157.07643	0.4
157.10106	0.3
159.08011	0.6
161.05981	3.1
161.09676	0.3
167.03378	2.3
170.02733	0.5
171.04404	0.6
171.08023	0.6
175.04010	0.3
177.05437	0.4
181.06516	1.2
184.05147	0.3
185.05951	0.5
189.05457	0.4
199.03876	0.4
199.07512	1.5
199.17953	0.5
203.03340	0.4
203.07140	0.9
209.06079	0.3
213.12459	0.4
217.05032	0.6
217.08627	0.5
221.63895	0.5
227.06993	1.5
227.10602	0.4
245.04477	6.6
245.08138	10.5
245.11736	0.5
245.13606	0.3
245.18573	3.3
245.22592	0.5
246.04749	0.4
246.08200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1857
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.01863	0.3
55.05490	0.4
57.03439	0.2
58.83733	0.2
67.05499	0.8
68.99767	1.3
69.03422	0.3
69.07054	0.5
70.06597	0.3
71.07982	0.3
71.08313	0.4
71.59097	0.2
72.08144	0.8
79.05478	0.5
81.03418	0.7
81.07059	0.5
83.04961	0.6
84.08163	0.3
86.09693	100.0
87.10023	0.7
91.05450	1.8
93.07045	0.4
95.04961	1.4
105.07016	1.2
107.04948	1.2
109.02852	0.4
111.00791	0.5
115.05451	0.6
119.04953	0.8
119.08595	0.4
120.05746	0.4
121.02842	0.4
121.06492	0.3
123.04419	6.0
127.03873	0.7
128.06177	0.3
131.08565	0.3
132.10185	3.2
133.06485	3.5
135.04416	0.5
137.06012	0.4
142.03246	0.9
145.06528	0.4
147.04424	0.4
151.03877	9.6
153.06969	0.6
157.06487	0.8
157.10153	0.3
159.08107	0.4
161.05934	1.9
171.04462	0.4
175.07576	0.5
177.05515	0.3
181.06483	0.9
185.06003	0.3
185.74290	0.3
199.03963	0.5
199.07545	1.1
199.11246	0.4
199.18047	1.2
203.03404	0.4
217.05046	0.6
221.63918	0.4
227.07072	0.8
245.04466	4.4
245.08113	6.2
245.11868	0.5
245.15511	0.5
245.18544	3.6
246.04755	0.5
246.11253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96557	100.0
57.03426	1.3
60.39462	0.9
61.02905	3.1
62.86103	0.8
65.03947	0.9
66.40318	0.8
66.86538	0.9
67.05483	1.1
69.03410	1.5
70.06567	2.5
70.82246	2.8
70.98110	43.6
71.95227	1.1
73.98769	1.0
74.97598	9.9
79.05450	1.2
81.07011	1.4
84.04489	2.9
84.08118	1.8
84.96025	3.0
85.02876	1.7
86.09677	1.5
86.97579	1.7
88.99149	36.5
91.05454	1.4
92.05493	0.8
92.98647	2.4
95.04993	1.2
97.02893	1.6
97.99149	1.3
98.97571	18.7
100.99130	2.5
105.06965	1.9
107.00181	12.2
107.04920	1.4
107.08596	1.0
110.97546	2.3
112.99094	1.8
116.00190	0.8
116.98599	12.1
119.00153	2.9
119.01881	1.5
123.04375	1.2
125.01215	1.4
128.98586	19.0
129.06963	1.3
130.96477	1.2
131.00122	2.6
133.01686	2.6
134.99632	7.8
135.04391	1.4
137.02258	1.5
143.00116	2.6
143.08499	2.1
144.98077	8.7
146.99629	64.6
147.04326	1.2
148.97545	2.6
149.01237	2.1
150.01761	1.0
155.04720	0.9
155.08539	1.0
156.98087	1.2
158.99559	1.4
159.03322	1.2
159.08018	1.2
161.01184	3.7
162.99135	14.8
163.03891	5.9
165.00699	96.6
166.98619	1.4
167.01146	1.2
170.01262	2.8
173.01076	1.2
173.04434	0.9
173.05946	1.1
173.13287	1.0
174.99113	3.3
175.02586	1.1
175.03903	3.1
177.00644	3.8
177.04314	1.8
179.02171	1.0
181.00191	5.5
183.01738	14.9
186.99133	3.8
187.11232	1.9
188.02335	5.2
189.09222	1.3
193.00198	3.2
193.03822	1.0
201.00688	1.7
201.05588	1.3
201.12582	1.9
205.00168	46.4
205.03679	1.6
209.09479	0.9
219.01712	1.2
223.01227	68.7
228.01782	3.6
229.08521	1.6
229.12247	3.2
241.02283	5.7
246.02808	3.1
247.01256	2.2
247.06331	5.5
247.09853	1.4
247.13295	2.1
259.93924	0.8
265.02225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42361	1.6
56.96559	18.8
57.03419	5.3
58.96150	1.7
61.02915	8.9
62.14135	1.5
70.06593	3.1
70.09488	1.5
70.98093	2.8
71.40472	3.6
72.08147	2.5
84.08113	3.1
85.02885	4.8
86.09679	3.9
88.99128	3.6
98.97565	11.7
100.83759	1.5
101.00870	13.7
110.97563	2.4
112.99092	4.3
115.02406	6.6
116.98587	7.9
119.01902	36.5
121.01662	2.8
127.01538	1.8
127.03938	1.6
127.17519	1.5
128.98570	1.9
131.00157	7.7
131.01868	3.7
133.03424	11.5
134.99646	4.6
135.03252	2.6
137.02946	8.2
141.01221	4.3
142.96512	2.6
143.01863	1.9
144.99841	2.4
146.99609	8.0
147.05016	4.4
149.01193	4.8
155.33661	1.7
158.99690	2.3
160.97620	2.6
161.02931	6.3
163.02724	3.3
163.99965	1.4
165.00659	6.5
168.99788	6.4
173.03003	3.0
174.99106	2.8
175.02625	3.3
175.04504	2.9
177.00702	3.9
178.04936	1.9
187.00854	10.9
187.02434	2.8
193.00060	4.1
196.99271	3.2
201.02425	3.4
205.00146	3.3
205.01926	3.2
205.91798	1.8
211.04813	1.7
215.00322	18.0
223.01227	4.8
229.03181	29.5
229.05299	2.9
233.01544	2.8
247.04260	100.0
247.06476	4.0
265.03979	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	248.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
56.05013	2.3
56.96555	84.7
57.03411	4.5
59.04959	1.5
60.95831	5.1
61.02905	5.0
69.03415	5.4
70.06576	5.1
70.98102	9.9
71.69280	2.2
71.95251	4.3
72.96016	2.7
73.02900	3.2
74.06075	1.5
74.97588	5.7
81.03397	3.9
84.04499	2.0
84.08120	4.8
84.95995	3.7
85.02885	9.7
86.09689	7.0
86.97585	2.0
87.04440	2.4
88.99139	8.6
91.05473	1.9
93.27666	1.7
97.02881	9.0
98.97565	100.0
99.04443	1.7
99.97891	1.7
100.99119	4.3
102.96860	1.9
107.00163	3.8
110.01241	1.6
110.07101	1.8
110.97526	3.3
112.99146	4.1
115.00661	2.1
115.02341	2.1
116.98602	84.1
119.01852	4.5
120.02001	2.3
120.97889	2.3
124.99126	2.2
127.01468	1.8
127.03909	1.9
128.98586	7.8
129.10271	1.7
131.00131	7.5
133.01613	2.4
133.03371	1.7
133.23013	1.4
134.99638	48.7
138.93593	1.7
138.98924	2.4
140.00124	2.9
140.52946	1.6
143.00153	13.7
145.01704	2.4
146.99625	17.1
147.03281	5.4
147.99971	1.8
149.01228	5.1
150.99129	6.3
152.02281	2.5
153.00610	7.4
154.03841	9.2
158.01251	3.5
158.04874	4.1
158.99606	4.8
160.06430	5.3
161.01207	14.9
162.99115	2.3
163.02739	2.1
163.04219	6.5
165.00691	25.3
166.00948	1.8
169.00180	2.1
177.00696	8.5
178.04974	2.3
178.07471	2.9
179.02202	2.0
183.01820	4.9
185.01274	1.8
186.99219	2.0
188.05902	2.9
189.00679	19.5
189.04433	8.2
192.96364	2.9
193.00137	2.0
206.06966	7.0
207.01746	29.1
207.05345	7.9
210.97356	2.4
219.01730	2.1
224.07942	11.3
225.02838	4.8
230.03453	2.7
230.06914	27.5
231.05319	3.0
237.02852	2.2
243.01653	3.3
247.64471	3.5
248.08022	58.2
248.99086	3.6
249.02800	5.9
249.06360	2.0
261.02945	2.3
266.09052	4.9
267.03830	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	248.0913
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
51.02360	1.2
53.03938	18.9
53.51278	0.5
55.01863	5.7
55.05495	0.8
56.05011	0.7
58.02947	0.6
65.03930	2.7
67.05138	1.0
67.05493	20.4
68.06240	0.6
69.03401	1.8
69.07063	1.2
69.90192	2.2
69.90602	1.1
70.06567	2.2
70.10525	0.6
72.08144	0.6
79.05463	3.0
80.05000	1.2
81.03402	65.9
81.07034	1.7
84.08126	1.3
85.02859	0.7
91.05419	1.2
93.07014	1.1
94.06550	4.1
95.04952	11.3
96.04465	1.2
96.08109	1.0
98.06045	1.9
98.20747	0.8
105.07011	1.3
108.04446	2.1
108.08084	1.8
109.02869	11.9
109.06519	0.8
110.06020	1.4
112.07578	1.8
117.05762	0.7
119.08595	0.9
120.08009	0.6
121.08895	0.7
122.06017	12.2
122.09609	3.6
123.04463	0.7
124.03891	3.4
124.07581	2.5
126.05476	2.1
127.03814	0.6
128.06097	0.7
130.06491	0.9
131.07283	2.7
136.07547	1.2
136.11159	0.9
139.07491	0.6
140.07040	24.4
145.10229	0.6
146.09636	2.6
147.07982	0.7
150.09111	3.8
152.07042	51.7
162.12636	1.0
164.07022	2.1
164.10704	6.8
167.08569	1.6
174.09125	3.5
175.07539	0.8
176.07065	1.9
178.08614	9.9
182.29428	0.6
185.09581	0.9
187.11249	0.7
192.10167	25.1
202.08601	5.7
203.10596	0.6
204.17422	4.9
205.07205	1.3
206.08157	3.5
219.08775	0.7
220.09647	42.3
221.09898	1.0
230.08183	1.7
230.18941	0.6
248.09143	100.0
248.20065	12.2
249.09421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43127	1.2
55.01867	1.2
55.05507	1.5
56.96556	100.0
57.03440	3.3
60.95852	5.8
61.02912	4.6
65.17616	1.1
69.03432	2.1
70.06473	4.2
70.06875	2.7
70.98103	13.5
71.95252	3.7
73.02905	4.0
74.97604	8.4
81.03416	1.5
84.08144	2.7
84.96022	4.9
85.02902	5.3
86.97582	2.3
88.84586	1.0
88.99148	14.3
92.98649	2.1
95.04906	1.1
97.02868	3.7
97.99122	1.7
98.20712	1.6
98.97568	91.3
100.99107	8.0
102.96906	1.8
106.01046	1.8
107.00203	4.1
110.97560	1.4
112.99145	5.7
116.98605	73.8
117.01860	1.5
118.01010	1.3
119.00180	3.4
119.01901	3.8
120.97919	2.5
121.01660	1.2
124.99124	6.1
125.01846	1.9
126.00720	1.3
127.03866	1.4
128.98579	8.1
129.02223	1.7
131.00153	9.8
132.98051	2.7
133.03473	3.5
134.99638	34.5
135.00702	1.7
139.20433	1.1
140.00237	3.1
143.00128	22.3
145.01648	2.9
146.99625	27.7
147.03279	12.6
148.01945	1.5
149.01208	9.3
150.99098	14.9
153.00684	5.3
154.53998	1.4
155.04671	2.6
157.02603	2.3
158.01248	3.0
158.99663	6.6
161.01201	30.7
161.02707	1.5
162.99144	1.9
163.03848	1.8
165.00703	34.9
165.04344	4.3
167.02348	1.7
168.01782	1.2
169.00256	5.4
170.05009	1.8
170.99561	3.5
173.01172	2.5
174.99199	1.8
177.00702	11.0
177.02182	2.1
177.04286	1.6
178.03027	1.1
178.04915	2.2
179.02161	3.0
183.01796	9.0
185.01231	5.9
188.02365	1.6
189.00694	27.3
189.03194	3.3
191.02191	2.1
192.96364	3.4
193.00285	1.6
203.02319	3.7
207.01741	63.1
210.97363	2.0
212.02580	1.8
225.02734	10.2
229.02264	1.3
230.03377	2.8
231.01663	1.8
232.08195	1.5
237.02800	2.0
248.99107	4.5
249.02812	12.9
249.06154	2.3
249.08372	3.8
267.00107	2.9
267.03867	11.5
267.09641	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10958	0.4
56.96554	33.8
65.82507	0.3
71.44214	0.8
71.95228	1.0
73.05515	0.3
74.97574	1.0
83.70347	0.3
84.96013	2.6
97.99175	0.7
98.97562	100.0
100.99125	20.0
101.00857	1.1
110.97572	0.7
112.99121	1.1
116.00214	0.4
116.98597	85.0
119.00163	11.2
119.01894	5.5
128.98572	1.9
131.00110	1.7
134.99631	48.9
137.01215	1.1
137.02913	1.7
140.00154	3.6
142.98996	0.8
143.00131	16.2
143.01872	0.8
144.98116	0.6
145.01718	0.5
146.99609	3.1
149.01212	1.7
153.00674	7.2
158.01207	3.0
158.99626	2.6
159.00911	0.4
159.01280	0.4
161.01193	38.1
161.02853	3.3
162.00246	0.4
162.01605	0.4
162.99126	1.3
165.00687	18.8
170.99556	0.5
173.01295	0.4
173.02930	0.6
176.02220	0.4
177.00685	5.5
177.02379	1.1
179.02225	6.4
181.00227	0.4
183.01736	16.3
184.02762	1.6
188.02298	0.6
189.00671	22.7
189.02219	1.0
191.02229	0.7
194.96329	0.4
195.01819	0.7
200.02174	0.5
206.03450	0.5
207.01726	66.7
208.02098	0.4
225.02776	8.3
230.03374	4.4
249.02464	2.2
249.04858	0.7
267.03860	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	249.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63452	0.4
56.30978	0.4
56.96553	34.6
60.95838	0.8
67.85972	0.4
69.03421	0.8
69.39935	4.0
70.98105	0.9
71.95250	1.2
74.97581	1.0
84.96017	1.8
85.02895	0.9
88.27044	0.5
88.99153	0.7
97.02873	1.0
98.97563	100.0
100.99128	17.7
100.99796	0.9
101.00871	1.1
110.97541	1.6
112.99128	4.1
115.02416	2.4
116.98599	60.1
119.00161	7.1
119.01891	2.6
121.01633	0.6
121.64197	0.5
127.03970	0.5
128.98567	3.1
129.02180	0.4
129.03951	0.5
131.00156	6.9
133.03445	7.7
134.99632	26.0
139.99214	0.5
140.00148	2.6
143.00130	13.6
143.01866	0.9
145.01674	0.6
145.03424	0.6
146.99606	4.2
147.03255	0.6
147.05031	0.9
149.01205	4.6
150.99063	0.5
151.04512	0.6
153.00696	2.8
158.01251	1.9
158.99646	3.6
159.05009	4.3
161.01196	25.1
161.02853	1.2
162.99101	1.2
163.02716	0.7
165.00694	13.0
167.02266	0.6
170.99557	0.8
171.05045	1.2
174.99048	0.5
175.02754	0.6
175.04407	0.6
177.00673	7.2
177.02095	0.7
177.06042	2.6
178.04945	1.2
179.02252	3.2
183.01759	9.6
183.03189	0.3
183.84875	0.5
184.02808	0.9
188.02220	0.6
189.00681	17.3
189.06088	0.7
193.03903	0.8
195.07170	2.0
200.04233	0.4
203.07591	2.0
207.01732	48.4
211.04866	0.6
219.07124	4.5
221.03185	0.6
221.08672	2.9
225.02766	7.6
230.03296	2.3
231.07111	1.4
240.63513	0.4
249.02718	2.4
249.08278	2.9
267.03854	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	249.1116
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01860	1.1
57.03411	0.9
65.03899	0.7
65.34859	0.5
67.05486	2.3
69.03422	6.6
70.58649	2.3
71.04973	1.6
79.05479	3.7
81.07027	1.8
83.04954	0.7
91.05469	10.1
93.07016	1.4
95.04937	2.0
97.06506	1.0
103.05456	0.9
105.03384	0.9
105.07007	7.5
109.06512	0.8
115.05428	3.3
116.06210	1.7
117.07003	11.0
119.08575	1.5
128.06201	8.6
129.06984	15.4
130.07764	1.1
131.07640	1.1
131.08554	12.3
133.06447	0.9
133.10120	0.7
141.06967	18.5
142.07755	19.1
142.08867	1.0
143.08545	17.6
144.05687	1.4
144.09297	2.0
145.06474	3.2
145.10094	8.4
146.07224	0.9
147.08047	1.8
147.11610	1.8
152.06187	8.4
153.07002	3.2
154.06532	1.2
154.07747	16.2
155.08366	0.6
157.06557	1.3
157.10106	33.6
158.07214	0.8
159.08011	4.4
159.11653	7.8
161.09630	1.2
165.07010	4.0
166.07736	2.5
167.08539	100.0
168.08922	2.2
169.06447	1.6
169.10101	26.8
170.07257	10.2
171.08035	1.6
172.08853	0.7
175.11156	2.9
183.08025	0.8
185.09593	88.3
186.09973	2.7
187.07571	1.2
187.09447	0.7
187.11147	18.2
195.07990	3.2
203.10641	13.4
213.09125	8.3
231.10129	24.7
238.50066	0.5
249.11189	43.3
250.11465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03927	0.7
55.01839	1.7
55.05486	2.3
57.03402	1.1
67.05495	4.2
69.03426	3.7
69.07047	2.9
70.17957	1.9
71.04955	0.8
72.97237	0.4
79.05478	4.0
81.03394	1.0
81.07036	8.5
83.04957	1.0
83.08584	1.2
84.08123	0.5
85.02879	1.1
85.06522	0.7
90.07729	0.5
91.04931	0.6
91.05466	9.8
93.07025	7.9
95.04956	2.8
95.08588	6.7
97.02879	1.1
97.06500	1.3
97.10143	0.6
98.97525	0.6
99.04439	0.7
103.05427	1.6
105.07009	7.4
107.04921	2.8
107.08577	7.2
109.06496	1.6
109.10115	3.2
111.08040	1.0
111.75419	0.5
114.22981	0.5
115.05412	6.5
116.06207	4.3
117.07026	4.3
119.04927	1.1
119.08566	4.8
121.06470	1.7
121.10112	4.7
123.04390	1.6
123.08051	1.3
123.11655	1.2
124.04697	1.0
125.09615	0.5
127.03902	0.6
128.06200	11.6
129.06984	22.9
130.07777	0.7
131.04881	2.1
131.08549	19.7
132.05638	1.5
133.06468	3.5
133.10101	6.1
135.08092	2.3
135.11652	1.7
137.05981	0.5
137.09573	2.0
141.06970	11.5
142.07748	4.9
143.04883	0.8
143.08543	5.5
144.05670	10.8
145.06461	7.6
145.10066	2.1
146.07256	3.7
147.04364	1.6
147.07999	1.5
147.11642	3.0
149.09557	0.8
149.13194	1.4
152.06154	1.3
153.06961	2.4
153.09106	0.6
155.05978	1.3
156.05653	1.4
157.06476	9.7
157.10100	2.5
158.07188	2.1
159.08025	32.3
159.11647	1.5
160.05127	1.6
160.08589	0.9
161.05965	5.2
161.09607	8.0
161.13188	1.1
167.04922	0.6
167.06995	1.6
167.08472	0.9
169.06400	1.6
169.07603	1.9
170.07245	10.5
171.04332	0.7
171.08005	7.6
171.11601	0.9
172.05183	3.1
173.05945	4.7
173.09828	0.6
174.06706	3.1
175.03918	0.5
175.07513	3.4
175.11147	1.0
175.14705	0.7
177.05490	0.8
178.06230	0.8
184.05106	1.1
185.05952	1.0
185.09627	1.8
185.13152	0.5
186.06760	0.9
187.07507	19.8
187.14853	0.7
188.08183	1.5
189.05499	4.2
189.07462	1.0
189.09071	9.3
189.12756	0.8
189.16339	2.3
190.06201	1.8
191.06981	0.9
191.10574	0.6
192.07822	1.0
193.08598	1.0
198.06693	2.1
199.07527	3.2
201.05437	1.6
203.07007	6.9
203.14302	0.8
203.17946	0.9
204.07768	13.6
205.08450	1.9
206.09274	1.4
206.10942	0.6
207.13615	0.6
213.12697	0.7
213.16365	2.2
216.05894	0.7
216.07690	4.0
217.08482	1.4
218.09283	1.6
219.10115	1.6
221.08060	0.9
221.11520	3.6
222.75490	0.5
231.10088	7.7
231.13791	1.4
231.17384	2.2
234.08598	0.8
249.11168	100.0
249.18329	8.7
250.11504	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03926	0.5
55.01844	0.9
55.05495	1.4
59.04994	0.5
66.78224	0.6
67.05489	2.8
69.03421	3.5
69.07048	1.3
70.65789	2.0
71.04963	0.9
73.02866	0.5
79.05470	2.0
81.03393	2.0
81.07040	4.4
83.04974	1.0
85.02896	2.6
87.00816	1.6
87.66178	0.5
91.05470	9.4
93.07042	3.0
95.04972	3.2
95.08582	2.5
97.02873	2.4
97.06500	2.3
99.04417	0.8
101.97615	0.7
103.05422	1.6
105.01817	0.9
105.07021	6.0
107.04917	1.9
107.08571	2.1
109.02824	1.4
109.06472	0.9
109.10139	1.5
115.05446	6.2
116.06222	3.8
117.07014	3.8
119.04924	0.8
119.08555	2.3
121.06485	1.5
121.10152	0.8
123.04414	0.8
123.08001	0.7
123.11669	0.6
127.03888	1.4
128.06195	9.2
129.06987	22.0
130.07716	1.2
131.04893	1.8
131.08548	17.6
132.05740	1.0
132.08885	0.6
133.06491	3.2
133.10077	2.1
134.13788	0.5
135.08063	1.4
135.11676	0.9
137.05963	2.0
141.06961	11.2
142.07784	4.8
143.08533	4.5
144.05684	8.8
145.06459	6.2
145.10085	1.4
146.03592	1.1
146.07263	2.9
147.04384	2.2
147.08031	1.4
147.11632	1.5
149.09604	1.3
152.06155	1.3
153.06958	1.8
155.06021	1.0
156.05664	2.4
157.06467	10.7
157.10126	1.3
158.07214	1.9
159.04460	0.9
159.08032	25.7
160.05212	1.1
161.05969	3.8
161.09590	7.4
167.07071	1.3
169.06435	1.9
169.07625	1.7
170.07253	8.3
171.04430	1.4
171.08005	6.5
171.11652	0.6
172.05182	3.0
173.06009	4.4
174.06721	2.3
175.07535	2.9
175.11160	0.6
184.05133	0.8
185.05957	0.7
186.06732	1.4
187.07521	18.6
188.08244	1.0
189.05429	4.4
189.09073	9.8
189.12700	0.8
190.06305	1.1
191.06955	1.1
193.04898	0.6
193.08551	1.2
198.06708	1.8
199.07416	2.9
201.05417	1.4
203.07024	6.5
204.07784	12.1
205.08543	2.2
205.72226	0.6
206.09372	1.5
216.07773	3.5
217.08578	1.3
218.09344	1.2
219.10185	1.5
221.11649	3.1
231.10112	6.9
231.13760	1.2
231.17397	0.7
233.11722	2.2
249.11194	100.0
249.18484	2.3
250.11664	3.8
250.14053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	3.3
57.07061	1.4
59.04957	1.4
62.54839	1.3
63.58707	1.1
64.00829	1.4
67.05500	1.2
69.03406	1.8
71.67758	1.4
71.68184	2.1
72.04505	22.4
79.05484	1.3
81.03400	1.7
81.07046	3.0
84.08135	1.6
85.02893	4.1
91.05497	4.7
93.07011	1.7
95.04990	1.4
95.08593	1.4
96.32270	1.4
97.02875	2.2
98.97554	2.2
105.07039	3.0
109.02891	1.4
109.10120	2.4
115.05449	5.6
116.98582	1.8
117.05759	5.5
117.07009	3.6
118.05020	25.0
118.06530	39.0
119.08602	1.9
123.04428	2.2
125.34483	1.4
127.03880	2.6
129.06998	2.2
130.06516	1.7
131.08617	2.0
132.08075	96.5
133.08400	1.9
134.99649	1.7
135.04428	1.9
142.06548	4.7
143.00108	1.8
143.04906	7.7
143.07307	5.5
143.08432	1.5
144.08083	17.7
146.05995	92.8
147.04439	3.2
160.05208	2.2
160.07527	1.9
161.01173	2.6
161.05949	6.5
161.09663	1.8
167.08572	1.9
170.06055	8.1
171.04384	2.9
173.87915	1.5
175.07544	5.4
178.05020	6.1
185.07207	1.6
185.09503	2.4
188.07048	100.0
189.05444	4.9
189.07195	1.9
203.06960	9.8
203.11853	6.7
203.28149	1.6
206.04521	3.4
206.11765	4.4
207.06480	2.5
207.13866	2.5
231.13783	3.7
246.45494	1.4
249.07397	6.5
249.12346	18.1
249.14935	4.1
249.18387	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	249.1844
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
51.13127	2.8
53.03931	4.5
55.01849	7.1
55.05490	14.3
56.96541	2.6
57.07050	4.0
59.05004	3.3
65.03928	4.3
67.05498	39.5
69.03417	27.5
69.07066	20.0
69.78444	16.7
69.78869	6.1
71.04961	8.9
73.02905	3.4
79.05474	28.5
81.03398	11.5
81.07041	100.0
81.64814	2.8
83.04966	3.2
83.08599	13.0
85.02893	18.2
87.00802	9.2
91.05455	25.0
93.07034	55.6
95.04939	9.6
95.08591	78.1
97.02853	14.9
97.06500	11.6
97.10136	3.2
98.20722	5.5
99.04436	9.5
105.01846	5.3
105.07012	31.2
107.04904	4.0
107.08578	48.8
109.02856	7.6
109.06498	9.4
109.10135	47.2
111.08088	8.1
112.13778	3.1
117.07007	6.5
119.08573	30.1
121.06458	8.5
121.10123	32.0
123.08077	5.6
123.11675	13.4
125.05962	6.1
125.09528	3.4
127.03880	11.7
128.06143	3.0
129.06967	7.8
131.08557	7.7
133.06413	6.7
133.10092	22.0
135.08029	8.6
135.11665	10.7
137.06007	4.4
137.09535	3.5
139.07533	3.9
141.07001	5.4
142.07730	7.1
143.08559	6.3
145.10088	9.3
147.08075	4.6
147.11644	25.1
149.09650	3.0
149.13222	22.1
151.11227	3.9
152.14279	8.2
153.09105	7.7
157.10101	12.4
159.07973	4.6
159.11702	3.8
161.09549	6.3
161.13248	14.1
163.11169	4.4
167.08527	19.1
169.10138	4.9
171.11650	6.7
175.07620	4.9
175.11250	5.9
175.14784	8.7
175.74376	2.6
178.07666	4.2
185.09573	19.8
185.13222	4.9
187.11133	4.0
187.14867	3.1
189.05458	4.1
189.09073	3.7
189.12730	5.1
189.16388	8.5
192.09306	7.9
193.10027	6.1
203.10631	5.7
203.14278	2.7
203.17906	42.1
205.08543	4.1
205.15877	3.0
207.11713	6.4
207.13716	4.5
213.16377	11.2
219.11685	6.7
231.10143	9.0
231.13736	4.0
231.17381	25.9
234.13907	7.6
249.05469	3.4
249.11060	16.0
249.16292	25.7
249.18515	43.5
249.23076	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	251.2365
Annotation	Civetone
Peak:m/z	Relative Intensity
50.11314	0.3
50.53325	0.3
53.00298	0.5
53.03938	1.5
53.34170	0.3
55.01866	1.2
55.05500	16.0
57.03427	5.3
57.07067	16.2
57.07349	0.9
57.14476	0.3
57.81843	0.4
62.55500	0.3
65.03926	0.7
67.05495	15.1
69.03417	7.9
69.07057	12.0
71.04973	1.2
71.08617	7.9
71.10199	0.8
71.10549	0.5
79.05019	0.8
79.05480	15.1
81.03418	0.5
81.07041	12.4
82.06538	0.6
83.04966	32.3
83.08603	6.9
85.10154	4.5
89.74505	0.3
89.77246	0.3
91.05472	4.2
93.07027	12.6
95.04942	2.2
95.08589	11.0
97.06511	3.7
97.10148	3.1
98.98450	100.0
105.04489	0.5
105.07021	1.1
107.08578	5.9
107.09244	0.6
109.10149	2.7
111.08056	0.9
111.11703	1.0
114.95709	0.4
116.99487	3.6
117.89346	0.4
119.08488	0.6
121.10123	6.0
123.11667	0.7
125.09586	0.5
127.63683	0.5
133.10095	0.5
135.11649	2.9
140.01044	1.7
149.13223	1.2
163.07547	0.5
174.99214	2.8
236.08441	0.4
251.04691	0.5
251.23634	54.6
252.08563	0.4
252.23868	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	253.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	0.8
67.05489	0.7
69.61983	2.0
69.62402	1.8
81.07030	1.7
91.05431	0.5
93.06967	0.5
95.08586	0.8
98.98452	23.5
110.07596	0.4
139.05379	1.0
140.06236	0.8
141.06956	0.5
147.42226	0.4
152.06189	5.6
153.06961	2.7
154.07738	1.4
163.98140	0.4
164.06239	2.6
165.06978	32.6
166.07680	2.4
167.04861	2.1
167.08473	1.2
168.05690	3.7
169.06416	1.2
170.69048	0.4
176.06175	1.8
177.06981	3.1
178.07758	8.5
179.08540	7.1
180.05620	1.7
181.06448	18.7
182.07245	49.4
183.07608	1.0
187.50468	0.5
189.06943	1.4
192.05655	8.7
193.06433	6.4
194.07236	8.9
195.08035	8.4
196.05220	1.2
196.08784	1.6
197.09593	14.5
197.11461	1.0
207.08017	9.6
208.15050	0.5
209.05911	1.2
210.06725	100.0
211.07166	4.0
224.08258	1.5
225.09068	63.6
225.14844	1.3
226.09428	2.1
238.06226	1.3
253.08569	11.9
253.14326	2.0
253.21655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.122
Annotation	Effusol
Peak:m/z	Relative Intensity
53.01333	0.2
53.03923	1.2
55.01860	2.1
55.05485	1.2
56.96546	0.3
58.31688	0.2
65.03912	0.9
67.05495	5.4
69.03403	1.1
69.07040	0.5
71.04952	0.4
71.58182	0.4
79.05022	0.5
79.05478	8.8
79.63933	0.3
80.04022	0.2
81.03400	2.5
81.07037	2.2
83.04945	0.6
83.08578	0.2
89.88787	0.2
91.05460	19.0
92.06310	0.3
93.03433	0.3
93.07037	2.4
95.01306	0.7
95.04948	3.4
95.08571	0.5
97.06462	0.3
98.98441	3.9
103.05446	2.6
105.03356	0.6
105.07009	22.3
107.04926	1.6
107.08543	0.3
109.02863	0.6
109.06488	1.0
110.78786	0.2
115.05433	2.7
116.06212	0.6
117.06995	9.8
119.04899	1.2
119.08556	1.7
119.81395	0.2
121.06481	9.8
123.04390	2.1
128.06194	3.7
129.06982	8.9
130.07742	0.5
131.04907	2.5
131.08542	4.1
132.05687	0.5
133.06483	1.8
133.10100	0.4
135.04395	0.7
137.05945	7.0
141.06953	5.5
142.07762	1.5
143.08553	4.6
144.05664	0.7
145.06458	11.3
145.10078	0.6
147.04388	1.6
147.08017	2.8
147.11682	0.5
149.05968	2.0
152.06166	1.0
153.06981	3.2
154.07730	1.6
155.04874	0.3
155.08525	8.6
156.09296	0.7
157.06444	2.1
157.10103	1.8
158.07173	0.3
159.04369	0.5
159.08025	4.9
159.11647	0.5
161.05940	10.6
162.06671	0.5
165.06966	9.0
166.07756	4.8
167.08534	7.4
168.05673	0.5
168.09317	2.0
169.06442	4.1
169.10098	4.5
170.07175	1.0
171.04391	0.7
171.08020	5.0
171.11661	0.4
173.05946	1.1
175.07510	3.6
176.06252	0.3
177.06976	0.3
178.07747	4.8
179.08527	10.2
180.09317	1.3
181.06465	3.5
181.10068	6.8
182.07300	1.9
182.10852	2.5
183.08035	6.8
183.11624	2.7
184.05095	0.6
184.08743	1.0
185.05942	2.9
185.09581	2.8
186.06586	0.3
187.07515	10.2
189.06912	0.3
190.07845	0.5
191.08511	5.8
192.09300	15.9
193.06425	0.5
193.10081	4.4
194.07268	1.8
194.10825	1.0
195.08014	8.8
195.11670	0.9
196.05618	0.6
196.08798	2.6
197.05917	4.5
197.09570	5.0
197.13248	5.5
198.06731	1.7
199.07503	4.7
202.07764	2.5
203.08482	0.7
205.06429	3.0
205.10129	0.8
206.07121	0.8
206.10873	0.4
207.08336	2.3
207.11647	23.2
207.56551	0.4
208.08823	0.6
208.12070	0.9
209.06213	0.5
209.09586	7.8
209.13052	1.4
210.06784	1.8
210.10355	7.2
211.07513	14.2
211.11055	6.4
212.08286	2.5
216.09338	0.3
216.56905	0.3
217.10094	2.2
218.07253	0.5
219.08011	2.5
220.08777	7.8
221.09409	1.0
223.07501	3.1
223.11058	1.4
224.08218	2.4
224.11784	0.4
225.09216	5.0
225.12695	20.2
226.13039	0.4
233.09595	0.4
234.10190	0.3
235.11136	20.5
236.11623	1.0
237.09077	2.3
238.09831	14.4
239.44037	0.3
251.10616	0.4
253.12187	100.0
253.19295	3.4
254.12529	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	253.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.35176	0.5
55.05499	3.1
57.07058	0.7
67.05495	6.0
69.07040	2.2
69.51414	5.5
69.54871	0.5
70.07367	0.5
79.05477	5.5
81.07040	7.3
83.08603	1.4
84.88190	0.6
91.05460	6.8
93.06435	0.7
93.07021	11.1
95.04923	0.9
95.08594	7.2
98.21486	1.0
98.98451	16.7
105.07014	10.8
107.08575	6.7
109.10137	4.7
115.05434	0.9
116.78042	0.6
116.99486	0.6
117.06966	3.1
118.07667	0.5
119.08552	5.0
119.73028	0.6
120.29536	0.5
121.10124	5.0
128.06183	2.4
129.06990	5.5
130.07779	0.9
131.08534	5.3
133.10121	6.7
135.11641	1.7
141.06992	2.6
142.07744	4.3
143.08534	11.9
144.09340	1.7
145.10086	12.8
147.11652	12.2
155.08519	4.9
157.10100	20.2
159.11670	15.9
167.08475	0.9
168.09268	0.8
169.10092	4.6
171.11662	13.3
173.13234	2.3
181.10147	1.2
182.10841	1.5
183.11661	9.5
184.12326	0.9
185.13229	5.1
195.11595	0.6
196.12445	1.6
197.11612	0.9
197.13229	10.1
198.13994	1.3
199.14735	1.2
209.13312	1.6
210.13905	0.6
211.14796	5.2
212.15594	1.2
223.14775	2.7
224.15593	2.5
225.16359	2.9
238.17088	5.9
253.19476	100.0
254.19812	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	254.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16951	1.6
56.96545	7.2
61.02921	8.4
69.03397	2.0
69.73010	8.0
69.73420	3.4
70.06578	3.1
71.01330	7.4
71.04977	22.0
73.32362	1.5
75.04464	16.8
79.05482	2.3
81.07037	2.1
87.04452	4.8
88.07631	2.2
89.02393	1.8
98.98452	24.7
103.03925	20.4
103.05417	4.3
105.06994	2.7
107.04928	1.8
113.58907	1.5
117.22729	1.6
120.08095	11.6
123.73692	1.7
124.03946	4.8
131.03357	6.1
143.00130	7.8
159.02859	55.0
161.01193	10.3
163.03880	3.4
166.08641	2.0
175.16432	1.8
182.08044	2.1
187.02382	2.1
208.13316	16.2
208.96230	2.0
219.04964	100.0
236.12836	2.1
249.02684	8.1
254.13884	16.1
254.34062	2.0
267.03867	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	254.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	12.3
61.02911	7.0
64.46201	1.8
70.06555	2.6
70.07214	9.4
71.01332	9.7
71.15453	1.8
75.04460	20.7
81.09296	1.7
84.04504	2.2
87.04451	5.9
89.02366	3.0
98.98456	48.8
103.03922	21.1
110.07146	2.6
110.11337	1.7
110.43324	2.0
119.08624	2.2
124.03968	2.9
131.03371	4.9
143.00156	9.7
144.95259	2.2
159.02864	58.8
159.04192	2.8
161.01190	14.5
163.03984	1.9
179.02278	2.6
187.02449	4.1
192.27180	2.8
211.46986	2.0
219.04970	100.0
220.05502	2.9
249.02882	11.0
267.03796	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	255.0646
Annotation	7758-73-8
Peak:m/z	Relative Intensity
55.05489	1.1
57.07044	0.5
57.29833	0.4
63.38288	0.4
67.05483	1.1
68.99773	1.0
69.03403	0.7
69.07053	2.1
69.61957	1.1
69.62376	2.1
73.91960	0.4
79.05465	1.3
80.02415	0.3
81.03397	0.8
81.07039	3.1
83.04959	1.3
83.08598	0.9
91.05463	1.4
93.07002	2.0
95.04977	0.6
95.08585	1.8
97.02910	0.5
97.06524	0.7
98.20739	0.8
98.98444	5.2
100.54475	0.4
100.98826	0.4
101.69081	0.3
105.07014	1.6
107.08520	1.8
109.10122	1.5
111.04443	0.6
115.05508	0.4
116.07198	0.4
119.08523	1.2
121.10097	1.0
123.11652	0.5
127.03808	0.4
128.06203	0.7
129.06937	0.4
131.08524	0.7
133.10132	1.2
135.11655	0.8
137.13255	0.4
139.05374	0.4
141.06918	0.6
143.04884	0.4
143.08502	1.1
145.06461	0.4
145.10110	1.2
147.11646	1.0
149.13222	0.5
152.06129	0.8
153.06947	0.8
157.06386	0.5
157.10052	1.1
159.07889	0.3
159.11679	2.0
161.13293	0.5
163.11186	0.5
165.06969	0.7
168.32523	0.5
171.04370	31.1
171.08052	1.1
171.11667	0.7
172.04686	0.6
173.13240	0.9
180.05930	0.4
181.06476	1.9
181.12222	0.7
184.05122	0.6
185.05862	0.8
185.13196	0.8
194.07147	0.6
195.04337	1.2
195.08015	1.8
196.08792	0.6
197.05872	0.4
197.09621	0.5
197.13199	0.5
199.07516	0.4
199.14780	1.0
209.05974	1.4
209.09694	0.5
211.14694	0.4
212.04640	85.1
213.04985	1.4
213.16325	0.8
223.07455	1.8
224.08223	1.3
225.05405	0.4
227.06976	100.0
228.07324	1.7
240.07706	1.8
245.38788	0.4
255.06468	70.2
255.09969	8.6
255.17398	2.0
255.20952	6.5
256.06805	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0648
Annotation	Nordalbergin
Peak:m/z	Relative Intensity
55.01846	0.8
55.05485	1.6
57.07065	0.9
64.78672	0.6
65.03906	0.6
65.82263	0.6
67.05488	3.1
69.03436	1.5
69.07057	2.1
69.91440	0.6
70.30995	2.7
71.08623	0.8
79.05502	3.1
81.03384	1.7
81.07034	5.7
83.04965	1.6
83.08618	2.2
91.05442	2.0
93.07037	3.6
95.04922	0.8
95.08581	3.5
98.21387	0.6
98.98450	15.2
99.04443	0.7
99.08054	0.9
100.98837	1.0
105.07018	3.1
107.04917	0.8
107.08575	3.9
109.10126	1.7
110.29584	0.7
111.04437	1.4
115.05435	5.1
117.06949	0.8
119.08593	1.2
121.10124	1.6
123.11685	1.4
128.06201	9.7
128.07069	0.9
131.04944	0.7
131.08574	1.9
132.05635	3.3
133.10110	1.1
135.11681	0.9
139.05392	14.4
141.06946	3.1
143.04912	1.0
143.08559	2.0
145.10085	2.2
147.11670	2.1
151.95311	0.6
152.06183	5.2
153.06970	4.6
155.04922	1.9
155.08490	0.8
156.05675	9.6
157.06473	3.6
157.10133	1.8
158.52509	0.8
159.04352	1.1
159.11687	3.1
160.05165	4.2
161.05986	1.4
161.09578	0.9
165.07011	2.7
166.07674	1.5
167.03693	0.7
167.04863	3.9
167.08533	1.3
168.05711	1.1
169.06430	6.0
171.04401	2.5
171.08075	1.7
171.11696	2.1
173.13251	1.5
177.06918	0.8
178.07860	1.0
179.08577	1.9
180.05684	3.4
181.06442	16.5
181.10036	1.3
184.05170	84.9
185.05966	9.5
185.13214	1.5
188.04651	6.5
193.06454	0.9
194.07291	1.9
195.04251	15.6
195.08026	18.3
195.11729	1.1
196.08762	6.4
197.05968	7.9
197.09671	1.4
197.13232	1.1
198.06601	0.8
199.07529	2.0
199.14809	1.4
199.99132	0.7
208.05186	1.0
209.05952	28.3
209.09381	1.1
211.14749	1.0
212.04652	16.8
212.08127	4.4
213.05203	0.9
222.06728	1.0
223.03871	58.4
223.07320	14.7
224.04526	2.0
224.08276	11.2
225.05467	5.4
227.07011	14.6
227.10629	2.3
229.49379	0.7
237.05423	0.8
240.04213	4.6
240.07787	17.1
240.10080	1.2
241.04913	12.1
255.06502	100.0
255.10132	47.6
255.13663	2.9
255.17444	2.4
255.20950	8.0
256.06894	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
56.96548	2.9
57.03428	3.4
61.02908	1.2
65.28339	0.4
69.03419	1.9
71.01344	1.0
73.02905	2.2
78.03437	1.3
80.05009	3.3
84.96004	0.4
85.02895	2.9
85.25095	0.3
96.04473	1.1
97.02853	2.0
98.97578	1.6
101.00865	0.4
106.02902	6.7
112.99091	0.5
115.03895	1.2
115.30173	0.4
116.98604	1.2
119.01894	0.9
123.05535	100.0
124.03939	1.3
124.05867	1.2
128.98601	0.6
131.00136	0.8
131.01878	0.6
133.03444	0.6
133.04921	1.9
134.00650	0.7
134.99545	0.7
143.00230	0.4
143.01248	1.5
144.99815	0.5
145.03439	1.2
149.01195	0.4
155.01872	1.1
161.03017	0.5
170.01778	0.7
170.23210	0.4
173.03033	0.5
174.04326	0.4
175.04451	0.4
177.00725	0.6
179.02109	0.4
186.04504	0.5
189.00748	0.5
191.02194	0.6
197.02948	1.1
198.01216	1.0
255.09911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1012
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.19204	0.4
55.05481	0.5
61.97499	0.3
67.05466	0.4
68.15329	0.3
69.07034	0.4
71.11078	0.3
71.14305	0.6
79.05446	0.6
81.07018	1.0
83.04997	0.4
91.05450	0.5
93.07013	0.5
98.98456	1.5
101.07530	0.3
101.14848	0.3
105.07045	0.4
107.08588	0.3
109.10113	0.5
123.62309	0.3
141.06958	0.4
143.08502	0.4
145.10135	0.3
152.06175	2.9
153.07005	0.4
157.10081	0.4
165.06960	2.8
166.07727	0.8
167.08562	3.4
167.52579	0.3
169.06448	2.8
171.13118	0.3
176.06238	0.6
177.06993	3.5
180.05632	0.8
181.06439	7.6
182.07138	0.6
183.08069	0.4
184.05173	0.9
193.06453	0.5
194.07214	1.6
195.08029	7.8
196.08667	1.0
197.05951	19.0
198.06210	0.6
200.59648	0.3
205.06383	1.0
206.07309	0.5
208.05157	4.2
209.05927	10.7
210.06630	1.6
211.07506	1.3
212.04640	0.8
212.08342	2.0
221.06021	0.4
221.08238	0.3
221.70328	0.3
222.06720	0.9
223.07521	1.7
224.08281	33.5
225.05431	14.4
225.08838	1.2
227.07050	0.8
227.10649	0.9
239.06900	0.4
240.07777	40.4
241.08212	1.4
255.10126	100.0
256.10458	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1012
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.23291	0.2
67.05503	0.3
67.05882	0.2
69.39016	0.4
69.39414	1.9
70.43111	0.2
79.05446	0.2
81.07030	0.4
83.04942	0.3
93.07030	0.4
98.98454	0.7
105.06991	0.3
111.04399	0.2
112.45523	0.2
133.10089	0.2
140.00832	0.2
141.06917	0.6
145.10081	0.3
147.11684	0.5
152.06181	6.4
153.06914	0.4
155.04846	0.2
156.05458	0.2
159.11681	0.4
165.06973	3.6
166.07712	0.8
167.08546	2.4
168.05785	0.2
169.06470	1.9
171.08093	0.3
173.13153	0.3
176.06184	0.7
177.06960	2.5
178.07726	0.3
180.05664	7.2
181.06448	5.6
182.07170	0.6
183.08011	0.4
184.05223	1.0
184.08800	1.5
185.09541	0.3
192.05682	0.3
193.06494	0.6
194.07228	1.8
195.08025	44.8
196.08690	1.8
197.05942	13.0
197.09604	0.9
198.06456	0.3
199.07498	0.6
199.14561	0.2
205.06496	0.8
206.07260	0.2
208.05177	4.5
209.05952	9.1
209.09517	0.8
210.06586	0.5
211.07487	1.5
212.04849	0.5
212.08296	7.2
212.10332	0.4
222.06703	1.2
223.07506	27.5
224.08284	23.9
225.05437	12.1
225.08925	0.5
226.05853	0.4
227.07114	0.3
227.10674	1.7
237.09204	0.4
239.06969	0.5
240.07774	40.9
241.08319	1.1
254.09370	0.3
255.10121	100.0
255.20735	1.4
256.10458	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1012
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.41065	0.4
57.07050	1.3
68.99741	0.5
69.59681	0.9
69.60100	2.6
79.05499	0.6
82.27018	0.4
83.04962	0.5
98.21369	0.9
98.98451	6.4
101.83101	0.4
107.08546	0.4
111.04411	1.4
115.25434	0.4
125.06010	0.4
137.57864	0.4
152.06168	4.9
153.05420	1.2
163.11163	0.5
165.06955	3.4
167.08536	1.6
169.06465	1.8
177.07001	1.4
178.07703	0.5
180.05676	6.0
181.06439	4.5
183.07965	0.5
184.05135	0.7
184.08824	1.0
185.09337	0.4
191.10678	0.7
193.06535	0.4
194.07205	1.8
195.08022	34.8
196.08559	1.3
197.05949	10.4
197.09695	0.5
199.07657	0.5
205.06487	0.7
208.05128	4.3
209.05943	6.4
209.09709	0.8
209.11649	6.4
211.07463	1.4
212.04855	0.4
212.08264	5.5
215.27034	0.4
222.06685	0.6
223.07503	24.3
224.08278	19.4
225.05431	9.8
225.08868	0.8
227.10625	1.8
237.11209	2.1
239.06891	0.5
240.07770	34.3
241.08098	0.7
255.10114	100.0
256.10400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1013
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05501	1.2
57.07041	0.6
67.05480	1.6
68.99765	0.4
69.07047	2.2
71.04983	0.8
71.08630	0.7
79.05485	1.7
81.03404	0.7
81.07048	2.8
83.04974	0.8
83.08623	0.8
84.00846	0.4
91.05457	1.0
93.07015	2.2
95.08595	2.3
97.06521	0.7
97.10116	0.5
97.36163	0.6
98.98457	9.7
105.06998	1.0
107.08540	1.5
109.10145	1.9
111.08054	0.4
115.05468	0.7
116.99521	0.5
119.08572	1.3
121.10162	1.2
127.03944	0.5
129.07010	0.5
131.08527	0.8
133.10068	1.0
135.11700	0.9
141.06966	1.4
143.08530	1.2
145.10103	0.8
147.11644	0.9
152.06140	4.0
153.06967	4.4
155.04858	0.5
155.08604	0.6
156.09392	0.6
157.10112	1.5
159.11659	1.0
165.06981	7.3
166.07741	1.9
167.08537	1.5
168.09332	0.6
169.06429	3.3
171.04367	10.4
171.05789	0.5
171.08098	1.4
171.11697	1.5
176.06216	0.7
177.05501	0.7
177.06940	1.4
178.07738	3.4
179.08577	3.3
180.05647	4.0
180.09251	0.6
181.06441	10.0
181.10066	0.8
182.07228	1.3
183.07983	1.1
184.08810	6.5
185.13231	1.5
192.05743	0.8
193.06529	1.0
194.07249	6.7
195.08029	26.6
196.08797	15.6
197.05954	7.3
197.07672	0.8
197.09573	3.9
198.06708	1.2
199.07561	0.7
199.14847	1.1
206.07224	1.5
207.04265	0.7
208.05196	0.6
209.06047	3.0
209.09615	3.4
211.04175	0.8
211.07495	2.1
212.04668	29.2
212.08185	11.7
213.05026	0.9
213.16281	1.3
219.10109	0.6
222.06706	7.2
223.07526	16.4
224.08289	17.1
225.05417	4.3
226.06252	0.9
227.07016	30.3
227.10532	11.3
228.07239	1.3
229.30692	0.5
237.09073	1.2
240.07777	24.2
255.06511	22.4
255.10124	100.0
255.17441	1.8
255.20969	5.7
256.06647	0.7
256.10449	2.2
259.34692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1012
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.38704	0.3
55.05486	0.4
65.14082	0.3
65.57990	0.3
67.05474	0.7
70.18049	1.8
79.05479	0.4
79.35410	0.3
81.03401	0.4
81.07026	0.6
82.00778	0.3
83.04937	0.7
85.34486	0.3
91.05470	0.5
93.07021	0.7
95.08572	0.5
98.98464	2.3
103.29349	0.3
105.07001	0.4
107.08557	0.6
109.10118	0.4
111.04414	0.3
117.07011	0.5
131.08525	0.5
133.10146	0.6
141.06990	0.8
143.08553	0.6
145.10088	0.6
147.11690	0.4
152.06161	2.9
153.06946	1.6
159.11685	1.1
165.06956	4.5
166.07750	2.1
167.08473	0.6
168.05550	0.5
169.06450	2.3
171.07950	0.8
171.11639	0.4
176.06161	0.6
177.06990	1.5
178.07755	1.8
179.08559	0.7
180.05679	2.8
181.06436	7.7
182.07220	1.3
183.08029	0.5
184.08807	6.4
185.05956	0.3
185.13225	0.6
189.07147	0.4
193.06476	0.9
194.07231	7.3
195.08020	19.2
196.08800	7.3
197.04243	0.5
197.05937	6.3
197.09590	3.1
198.06683	0.8
199.11165	0.5
205.06483	0.5
206.07280	1.6
207.04408	1.3
208.05228	0.5
208.08771	0.4
209.05937	2.2
209.09590	3.0
210.06760	0.4
211.07527	1.6
212.08276	10.4
213.08817	0.4
222.06714	7.3
223.07518	5.9
224.08296	18.5
225.05461	2.4
225.08772	0.4
226.06161	1.2
227.07108	0.5
227.10622	11.2
237.09151	2.1
237.87355	0.4
238.09904	0.8
240.07770	24.3
241.08344	0.8
254.09412	0.6
255.10121	100.0
255.21024	3.6
256.10474	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01854	6.7
55.05271	2.4
55.05504	32.8
57.03165	3.6
57.03427	54.2
57.07052	5.9
62.71341	1.5
67.05494	86.1
68.05830	1.8
69.03413	5.8
69.07056	29.7
69.89315	2.7
69.89721	9.5
71.01337	5.0
71.04974	8.8
71.08580	1.7
74.44239	1.9
79.05019	3.9
79.05481	81.5
81.03403	17.0
81.07043	41.6
83.04969	33.3
83.08617	8.4
85.02884	3.3
85.06531	5.1
91.05466	38.8
91.73338	1.6
93.07027	91.2
95.04964	15.0
95.08599	18.9
97.02906	2.1
97.06511	27.6
97.10161	17.5
98.98452	46.4
99.04433	3.0
99.08059	5.4
100.98871	2.6
103.05444	1.8
105.07001	13.4
107.04929	4.8
107.08576	58.8
109.02874	4.4
109.06466	3.4
109.10126	12.8
111.04417	4.1
111.08076	3.6
111.11698	1.7
113.05973	2.2
115.05412	2.0
117.07007	10.5
119.08567	12.2
121.06484	5.0
121.10133	12.4
123.11692	2.8
125.09609	5.3
127.03889	2.5
129.06972	2.3
130.07751	2.6
131.04881	2.4
131.08598	4.0
133.10069	8.7
135.08058	4.0
135.11670	100.0
137.09572	4.5
143.08585	3.9
145.10092	18.8
147.11670	2.9
152.06210	3.1
153.12703	3.1
155.08542	2.0
157.10100	3.7
161.05956	2.4
163.11185	14.2
165.07018	2.7
167.08582	2.9
169.10023	2.2
171.04422	1.9
171.11696	1.9
173.13300	2.6
180.05670	3.5
180.20125	1.7
181.06467	3.8
181.10495	2.5
181.12216	14.5
184.05208	4.1
185.06052	2.2
185.13237	2.2
195.08052	14.3
197.06023	6.2
197.13235	2.1
199.11273	2.1
199.14914	2.4
208.05188	2.5
209.05925	5.2
212.04590	2.4
212.08307	4.1
213.09166	1.6
223.07532	8.7
224.08313	12.2
225.05478	7.3
227.07010	6.9
240.07790	20.3
255.06618	10.7
255.10159	63.7
255.15703	47.8
255.20860	9.3
256.10538	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
53.67977	1.7
55.01856	7.7
55.05499	31.0
55.73915	1.6
57.03161	3.6
57.03428	56.1
57.07058	7.6
63.29594	1.6
65.03931	4.2
67.05495	86.3
69.03423	3.3
69.07056	30.5
69.89375	11.9
71.01338	4.0
71.04984	8.1
71.08640	1.9
79.05482	84.3
81.03394	11.2
81.07047	45.5
81.07532	2.1
82.92036	1.8
83.04962	29.8
83.08606	7.6
85.02909	2.4
85.06535	8.7
88.59216	1.5
91.05465	32.2
93.07030	90.8
95.04951	13.5
95.08599	18.7
97.06519	21.0
97.10168	15.9
98.97818	3.1
98.98447	37.2
99.08052	4.0
100.98914	2.0
105.07013	15.0
107.04884	2.4
107.08578	62.6
109.06496	5.9
109.10138	10.3
111.08069	5.2
117.07028	8.4
119.08556	15.8
121.06485	3.4
121.10132	15.1
125.09612	3.6
128.06192	3.2
129.06935	2.7
130.07835	1.9
131.08549	5.6
133.10091	12.5
135.08083	2.9
135.11678	100.0
137.09575	4.8
141.06966	2.8
142.07663	1.8
143.08553	8.9
145.10080	20.5
152.06239	4.4
153.06955	2.9
153.12735	4.1
155.08525	4.6
156.09334	5.8
157.10077	9.7
159.11682	6.1
163.11166	18.8
165.06981	4.9
167.08589	5.0
169.06342	1.9
169.10172	5.2
170.10957	2.7
171.11638	12.7
173.13138	2.0
180.05664	1.8
181.06476	3.7
181.10150	3.9
181.12227	13.0
182.10921	5.6
183.11694	4.2
185.05884	1.9
185.09578	3.1
185.13295	3.8
194.10805	2.1
195.08029	15.0
195.11691	5.1
197.05971	7.1
197.13261	17.0
199.07628	2.4
199.11194	4.5
199.14777	3.0
207.11784	2.7
209.05974	7.2
209.13255	3.1
211.14751	7.4
212.04645	8.8
212.08369	3.3
212.15520	3.7
213.12755	4.7
213.16339	10.5
222.13945	3.5
223.03865	6.3
223.07497	12.1
224.08301	7.7
225.05479	7.0
225.12782	3.3
227.06955	9.7
227.10593	2.2
237.16383	5.4
240.07794	15.8
240.14958	2.7
255.06517	9.7
255.10147	54.2
255.15819	34.3
255.17664	22.7
255.21036	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	256.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
59.26317	0.2
64.42725	0.2
66.88181	0.2
68.05001	0.2
71.04961	0.5
71.58340	0.3
78.03437	0.4
80.05003	3.3
96.04475	2.2
106.02862	0.2
117.25156	0.2
124.03931	100.0
125.04258	1.5
127.02404	0.3
133.04976	0.4
145.03447	1.5
145.04420	0.2
168.05019	0.2
169.03464	1.2
187.04480	1.4
210.07663	0.2
211.17238	0.2
229.04919	0.3
256.08136	7.0
256.26382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0803
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
55.05473	0.7
57.07059	1.6
58.07403	0.9
62.97520	0.5
67.01837	1.8
67.05482	1.3
67.10423	0.6
68.99771	1.3
69.03419	2.3
69.07065	0.6
70.06585	3.7
71.08606	0.9
79.05500	3.0
83.04969	0.9
88.07613	4.7
89.07955	1.2
91.05442	3.7
95.04946	1.2
95.08586	0.8
97.02889	1.4
97.39645	0.6
98.21268	2.7
102.09153	3.3
103.05450	24.4
103.09450	0.6
105.06984	1.9
107.04919	3.2
109.10114	0.9
111.00787	0.8
111.04465	0.8
117.06982	1.4
117.81569	0.5
119.08532	1.2
123.04398	0.9
129.06967	1.0
131.04903	47.2
133.06467	0.7
141.06818	0.7
143.08551	1.0
144.89796	0.6
145.06494	1.2
145.10088	1.0
145.94780	0.6
147.08066	0.8
151.03896	2.6
153.01801	96.6
155.08530	0.8
159.11659	0.5
171.02881	2.7
172.83534	0.5
173.05930	3.8
174.06216	0.6
179.03333	2.5
183.11716	0.9
191.07085	1.0
211.07571	1.0
214.06230	0.6
215.07013	1.5
227.03401	0.9
239.07024	1.0
242.05681	1.9
256.26303	5.9
257.08044	100.0
257.18857	2.7
257.22632	0.8
257.26639	18.0
258.08331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0804
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
51.82602	0.7
53.03934	0.9
55.05493	3.3
57.07055	1.2
59.04978	0.7
62.68938	0.7
67.05481	3.4
69.03401	2.7
69.07053	2.5
71.01336	1.1
71.04957	1.4
71.62769	0.7
71.68583	0.7
71.69138	1.5
75.73822	0.7
79.05472	1.1
81.07027	3.4
83.04967	10.1
83.08607	1.5
85.02880	3.1
85.06490	0.8
85.25687	0.7
91.05464	2.4
93.07052	1.8
93.77719	0.7
95.04939	2.4
95.08583	2.7
97.06503	1.2
101.05992	1.1
103.86839	0.7
105.07007	3.0
107.04959	2.0
107.08559	2.1
109.06476	0.8
109.10146	2.3
111.04420	5.1
113.06011	1.0
115.05413	2.9
117.06987	0.8
119.08522	2.7
121.06464	1.3
121.10110	1.5
122.91750	0.8
126.55801	0.8
128.06149	1.0
129.06989	0.9
131.04889	0.9
131.08545	2.2
133.06448	1.4
133.10103	1.0
137.05916	0.9
141.06967	21.2
143.08563	1.3
145.06474	1.8
145.10086	3.0
147.07956	0.9
147.11624	1.4
152.23186	0.7
153.05434	4.5
153.06941	2.9
155.08479	1.8
157.06471	1.4
157.10130	1.3
158.07239	2.4
159.07901	0.9
159.11671	1.9
161.13197	1.1
165.06972	5.7
166.07764	2.1
167.08476	1.6
168.05602	4.0
168.12851	0.8
169.06450	26.3
169.10086	1.6
171.04416	2.1
171.08096	1.1
171.11662	1.5
173.09627	1.2
173.13268	1.3
179.08400	0.9
181.06447	5.8
182.07242	1.8
183.07980	2.8
183.11649	2.0
185.05968	2.8
186.06749	5.6
187.07431	1.2
187.14777	0.9
194.07213	1.4
194.19196	0.9
195.08017	2.3
196.05125	2.2
196.08778	1.6
197.05943	100.0
197.09526	6.0
197.13239	1.6
198.06615	4.2
199.07513	1.3
199.14746	1.6
201.09088	2.7
201.12744	0.9
201.16431	1.5
210.06735	2.1
211.07529	7.6
213.05476	1.5
214.06157	6.8
215.06853	1.5
224.04453	0.8
224.08322	2.7
225.05426	55.3
225.09048	4.7
226.05936	2.2
226.09874	5.3
227.07025	2.2
229.08556	38.3
239.08949	1.0
239.10939	0.9
239.17932	1.5
240.19527	3.5
241.08568	1.1
242.05681	8.7
242.09181	4.1
257.08044	90.5
257.11646	27.3
257.15286	2.0
257.18988	5.7
257.22452	4.1
258.08511	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	257.1169
Annotation	Orchinol
Peak:m/z	Relative Intensity
59.75675	0.3
67.05490	0.2
70.53331	0.8
80.15516	0.3
83.84126	0.3
85.02876	0.3
121.06454	0.7
128.06227	0.4
141.06972	1.0
145.10086	0.3
152.06169	1.1
153.06972	1.7
154.07761	2.0
155.08531	0.6
159.08018	1.2
165.06975	10.6
166.07767	3.1
167.08554	3.9
168.05656	0.5
169.06482	0.8
169.10117	0.5
171.08031	1.6
176.06154	0.3
177.07027	1.4
178.07837	1.3
179.08542	2.3
180.09218	0.3
181.06453	5.8
182.07239	6.1
183.08005	2.2
184.08824	0.4
185.05981	0.3
186.10318	0.3
192.05669	0.4
193.06427	0.8
194.07248	3.2
195.08028	5.8
196.08797	3.5
197.05923	1.4
197.09590	16.7
198.06679	0.6
198.10176	0.5
199.07529	3.8
199.11214	0.4
207.08072	1.1
208.08804	0.8
209.05927	1.4
209.09608	2.5
210.04837	0.5
210.06728	6.5
210.10269	0.6
211.07512	13.5
212.07953	0.4
213.05495	0.3
213.09134	1.7
214.09703	3.5
215.10614	0.3
223.07532	0.4
224.08321	5.9
225.05415	0.8
225.09071	21.4
226.09845	26.6
227.07002	9.0
227.10440	0.9
228.07611	0.6
229.08545	0.9
229.12222	2.6
237.09224	0.4
239.07068	0.4
239.10643	3.3
239.18193	0.3
240.07762	1.2
240.11414	0.5
241.08571	2.9
242.09312	21.4
243.09766	0.8
255.10063	1.3
256.07208	0.8
257.11670	100.0
257.26709	0.8
258.12015	3.2
258.27930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1167
Annotation	3,4'-Dimethoxy-5-hydroxystilbene
Peak:m/z	Relative Intensity
50.50879	0.4
51.02362	0.5
53.03929	1.2
55.01848	2.1
55.05484	0.8
56.62211	0.5
57.03382	0.5
59.15300	0.4
60.90606	0.4
65.03928	0.9
67.05470	1.2
68.99764	1.0
69.03403	0.5
69.07045	1.3
69.63734	3.7
70.06578	0.9
70.14782	0.4
74.18977	0.4
76.70100	0.4
77.56559	0.4
79.05475	6.4
81.07019	0.9
83.04960	0.8
84.66938	0.4
85.02873	0.5
85.06504	0.6
88.07603	1.7
89.03864	0.6
91.05463	24.5
91.34637	0.5
93.06997	2.2
95.04958	2.4
95.08583	1.4
95.13955	0.4
98.21503	1.0
102.09147	0.5
103.05446	4.4
105.07011	32.5
106.08659	0.5
107.04239	0.8
107.04933	12.3
107.08571	1.0
109.06501	2.9
109.10105	0.9
111.04424	6.1
113.05966	0.9
115.05415	2.1
117.06962	0.7
119.04918	16.4
119.08521	0.8
120.05688	1.0
121.02828	2.1
121.06490	13.8
123.04393	1.2
124.05154	1.5
125.05994	0.9
125.13270	0.4
126.09052	0.4
129.07013	0.8
131.04889	2.2
131.08540	1.1
133.02820	1.4
133.06468	50.4
134.06749	0.9
135.04395	3.3
135.08037	3.5
137.05951	16.4
138.06731	2.5
139.07495	2.0
141.07025	0.7
143.08577	0.8
145.06464	4.7
145.10065	0.9
147.04364	0.7
147.08017	0.9
148.05145	1.8
149.05948	7.2
150.06685	0.5
151.07507	3.6
152.06174	1.4
153.06955	3.1
154.07735	1.6
155.08481	0.9
157.06454	2.8
159.08029	1.5
159.11584	1.0
163.07468	3.0
164.08305	3.2
165.06976	9.1
165.08362	0.7
166.07730	2.0
167.08553	2.3
168.05721	1.2
169.06436	1.0
169.10136	1.1
171.08025	1.5
177.06961	1.2
178.07751	1.5
179.08521	3.3
181.06439	7.8
182.07242	8.1
183.08006	3.6
185.05919	0.7
188.08286	0.8
193.06369	2.6
194.07317	3.1
195.07951	3.4
196.08797	1.3
197.05956	1.3
197.09586	7.1
199.07504	4.4
201.09090	0.9
207.08025	0.9
208.08835	1.3
209.05940	2.5
209.09639	0.5
210.06729	9.3
211.07513	7.5
211.11060	0.5
212.08199	0.9
213.09024	2.3
219.29689	0.4
224.08177	2.2
225.09048	10.9
226.09793	7.1
227.06993	3.7
229.04875	0.6
229.08569	0.7
229.12209	1.2
229.55215	0.5
239.10692	1.7
239.21144	4.0
241.08467	2.7
242.09337	12.4
257.11682	100.0
257.22192	10.6
258.11938	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	257.1168
Annotation	Loroglossol
Peak:m/z	Relative Intensity
55.85862	0.4
57.03415	0.5
67.05495	1.0
69.03429	0.4
69.40286	2.3
69.40717	1.5
70.01929	0.3
70.41195	0.3
72.09380	0.4
83.04946	1.3
87.84492	0.4
91.05453	0.5
95.04952	0.5
105.07014	0.8
107.35113	0.4
109.10123	0.9
111.04417	0.9
119.08531	0.9
121.06455	1.0
125.64459	0.4
129.06990	0.4
131.08565	0.5
137.05992	0.3
137.09570	0.8
141.06970	0.8
145.06422	0.6
145.10100	0.6
152.06181	1.1
153.05458	0.3
153.06963	2.4
154.07722	1.6
155.08485	0.6
158.07213	0.4
159.08008	1.1
159.11708	0.7
165.06963	10.2
165.09061	0.6
166.07755	3.9
167.08517	4.9
168.05707	0.5
169.10098	1.3
171.08008	1.3
176.06067	0.4
177.06895	1.1
178.07761	1.6
179.08533	2.6
180.09256	0.5
181.06442	4.7
182.07246	5.9
183.07991	1.6
193.06410	0.7
194.07240	2.7
195.08008	5.3
196.08798	4.4
197.09593	19.1
198.10164	0.5
199.07452	2.4
199.11215	0.3
201.08998	0.4
207.08017	1.0
208.08826	0.8
209.05875	2.2
209.09621	2.7
210.06731	4.5
210.10124	0.6
211.07518	8.6
211.10883	0.3
212.08063	0.6
212.10548	0.5
213.09129	1.1
214.09810	2.7
223.07582	0.6
224.08282	6.8
225.09053	22.7
226.09837	18.8
227.06955	5.8
227.10527	1.2
229.08655	0.4
229.12022	2.8
239.06961	0.7
239.10619	3.4
240.07774	1.0
240.11243	0.4
241.08426	2.2
242.09268	15.8
243.10013	0.7
255.10086	1.4
256.07300	0.9
257.11664	100.0
258.11990	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1168
Annotation	3,4'-Dimethoxy-5-hydroxystilbene
Peak:m/z	Relative Intensity
53.03929	1.3
55.01855	2.4
55.05512	0.6
65.03927	1.0
67.05473	1.2
67.50748	0.5
69.03391	1.0
69.46947	0.6
69.72890	0.5
71.69215	1.1
71.79729	0.6
79.05479	6.4
81.07034	1.5
83.04958	2.8
85.02882	0.9
91.05463	22.2
93.07028	1.3
95.04970	3.1
95.08586	0.6
99.04436	0.8
103.05445	4.7
105.07011	36.0
107.04929	14.2
109.06510	2.6
109.10119	1.0
111.04422	8.0
113.06001	0.9
115.05441	2.4
117.06975	0.8
119.04926	17.3
119.08566	0.8
121.02856	2.9
121.06490	12.4
123.04431	1.0
124.05170	1.5
129.06969	0.6
130.36322	0.6
131.04909	3.0
131.08533	1.1
132.05591	0.7
133.02809	1.3
133.06467	47.7
135.04378	3.0
135.08046	3.8
137.04932	1.1
137.05952	16.3
137.09596	1.1
138.06714	2.8
139.07475	2.2
141.06955	1.6
145.06476	3.8
145.10132	1.0
147.08052	0.9
148.05135	2.3
149.05981	6.4
149.80168	0.5
151.07491	3.6
152.06194	1.0
153.05528	1.1
153.06975	2.6
154.07742	1.1
155.08479	1.2
157.06468	2.3
159.08022	1.9
163.07578	2.7
164.08286	2.1
165.06978	7.4
165.09023	0.8
166.07680	2.0
167.08524	1.6
168.05698	1.2
169.06456	2.4
171.07985	1.8
173.06035	0.7
177.06976	1.0
178.07689	1.3
179.08493	3.4
181.06459	10.1
182.07274	7.1
183.08018	3.6
185.05917	0.9
188.08260	1.0
192.05672	1.1
193.06381	3.0
194.07214	3.0
195.08063	3.4
196.08720	1.9
197.05896	3.3
197.09602	6.5
199.03859	1.3
199.07558	5.0
207.08046	1.4
209.05916	2.1
210.06721	8.7
211.07501	7.9
211.10901	0.6
212.07867	0.8
213.09047	1.9
214.06198	1.2
224.08327	2.8
225.05640	0.6
225.09077	11.2
226.09837	6.6
227.07002	3.5
229.08464	1.3
239.07013	0.6
239.10597	1.3
241.08430	2.8
242.09341	12.8
257.08188	4.4
257.11682	100.0
258.12024	3.4
269.96982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1166
Annotation	Loroglossol
Peak:m/z	Relative Intensity
55.05489	1.9
55.38568	0.5
55.64824	0.5
57.03423	1.0
67.05473	2.4
69.03421	0.9
69.07053	0.5
70.75628	0.6
70.75983	1.7
71.04965	0.8
79.05483	1.0
81.07043	1.4
83.04965	4.1
85.02880	1.8
90.05523	0.6
91.05439	1.2
93.07026	1.1
95.04932	2.1
95.08577	1.5
101.06001	0.6
105.06989	2.0
107.08565	0.8
109.10126	4.1
111.04420	2.4
115.05391	0.6
119.08538	1.5
121.06441	1.8
121.10119	0.5
131.08510	0.7
133.06467	1.3
135.11737	0.6
137.09569	3.0
141.06912	1.3
143.08484	0.5
145.06480	0.7
145.10074	2.1
147.84303	0.6
152.06175	1.1
153.05429	1.6
153.06953	2.5
154.07713	2.4
155.08595	0.8
157.10103	0.7
159.07964	1.1
164.90181	0.6
165.06964	10.8
165.09073	1.2
166.07758	4.1
167.08551	5.9
168.09236	0.6
169.06444	0.8
169.10071	1.7
171.08008	2.4
171.11697	0.7
173.09557	0.9
173.13216	0.9
177.06956	1.5
178.07724	2.4
179.08517	3.3
181.06465	5.5
182.07260	7.3
183.07967	2.2
183.11583	0.7
185.06104	0.6
187.14789	0.7
193.06410	0.8
194.07236	2.7
194.08817	0.6
195.07996	5.0
196.08760	3.8
197.05896	0.9
197.09586	18.2
198.10144	0.9
199.07451	3.0
199.14734	0.8
207.08000	1.5
208.08980	0.6
209.05923	2.1
209.09547	2.9
210.06708	5.6
210.10384	0.8
211.07506	10.3
211.11348	0.6
213.09048	1.7
214.09790	2.2
224.08289	6.9
225.09042	24.1
226.09833	20.8
227.06992	6.8
227.10570	1.7
229.08543	1.3
229.12109	3.7
239.06937	0.7
239.10789	3.2
240.07777	0.9
240.11446	0.8
241.08490	2.7
242.09268	16.2
243.09848	1.0
255.10075	1.6
256.07349	1.5
257.11661	100.0
257.18906	3.4
257.22473	1.9
257.26605	0.7
258.11954	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	257.1169
Annotation	Loroglossol
Peak:m/z	Relative Intensity
53.12452	0.7
55.01844	1.0
55.05493	2.6
57.03415	1.4
63.05157	0.7
67.01845	0.7
67.05477	2.8
68.99774	1.3
69.03416	1.8
69.07031	1.1
71.04970	1.0
71.30239	1.4
79.05463	0.9
81.07043	3.4
83.04973	4.8
85.02876	2.0
91.05457	2.5
93.07020	1.9
95.04945	1.7
95.08581	2.5
96.47876	0.6
97.06467	1.0
103.05470	0.8
105.07008	2.9
107.04921	2.7
107.08558	2.2
109.06481	1.0
109.10122	2.9
111.04423	3.7
113.05937	0.7
115.05407	0.8
117.07022	1.4
119.08546	2.2
121.06463	1.5
121.10092	1.8
129.07028	1.6
131.04926	1.8
131.08517	2.5
133.10104	1.1
134.05809	0.7
135.07997	1.1
137.05980	1.1
137.09674	1.0
141.06934	3.8
143.08514	1.7
145.06425	1.3
145.10081	3.1
147.11690	0.9
153.01825	4.0
153.05461	2.2
153.06921	1.9
154.07750	1.6
155.08508	1.2
157.06479	0.8
157.10123	1.7
159.08017	2.3
159.11632	1.6
161.05856	1.0
165.06979	9.6
165.09076	1.2
166.07788	3.2
167.08540	6.3
168.05644	1.1
169.06444	2.6
169.10101	2.2
171.02879	4.4
171.08035	2.1
171.11632	1.3
173.05963	1.2
173.09633	1.0
173.13257	1.6
177.06908	1.2
178.07782	1.8
179.08521	2.6
181.06425	5.0
182.07214	6.1
183.07973	2.8
183.11516	1.1
185.05942	1.2
186.06693	0.7
187.07472	0.9
187.14735	1.3
193.06409	0.8
194.07286	4.6
195.08008	6.7
196.05197	0.7
196.08815	3.6
197.05920	7.1
197.09592	17.7
197.13232	0.9
198.06718	2.0
198.10231	1.0
199.07475	2.7
199.11226	1.0
201.08965	0.9
201.12621	1.1
207.07947	0.8
209.05943	1.7
209.09602	2.2
210.06682	5.9
211.07498	10.5
211.11063	1.2
212.08084	0.9
213.05507	0.8
213.09082	2.0
214.06273	1.1
214.09782	1.5
224.08260	7.9
225.05676	4.2
225.09055	23.1
226.09854	18.6
227.07019	6.0
227.10468	1.4
229.08569	7.4
229.12238	3.1
239.06856	1.0
239.10649	2.9
241.08533	1.9
242.05573	1.2
242.09311	14.5
255.10068	1.2
256.07205	1.1
257.08084	15.5
257.11664	100.0
257.19009	5.3
257.22525	3.4
257.26608	1.3
258.12012	3.8
270.63901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1169
Annotation	3,4'-Dimethoxy-5-hydroxystilbene
Peak:m/z	Relative Intensity
51.02383	0.4
52.30952	0.4
53.03923	1.2
55.01855	2.7
55.05499	1.1
57.03431	0.8
57.79794	0.4
65.03925	1.5
67.05185	0.4
67.05489	2.9
67.17966	0.4
68.38921	0.4
68.99781	0.6
69.03414	1.0
69.07035	0.5
69.93048	2.1
71.05008	0.4
75.04446	0.5
79.05479	6.2
81.07039	2.7
83.04961	2.7
83.08600	0.6
85.02888	0.7
91.05465	24.6
93.07022	1.8
94.04156	0.4
95.04955	3.2
95.08604	2.2
98.20730	0.4
99.04404	0.6
103.05457	4.8
105.07011	33.6
106.07305	0.5
107.04936	13.4
107.05656	0.6
107.08542	0.7
109.06463	2.6
109.10139	4.3
111.04432	7.6
115.05428	2.1
117.07008	1.1
118.04111	0.6
119.04928	15.8
119.08537	1.1
120.05696	1.0
121.02843	2.8
121.06488	12.5
121.10098	0.6
123.04431	0.6
123.08055	0.8
124.05185	1.6
125.05956	0.8
128.06151	0.5
129.06937	0.9
131.04912	2.0
131.08516	1.3
132.05659	0.4
133.02821	1.0
133.06468	47.7
134.03674	0.5
135.04402	2.6
135.08049	4.5
137.04929	0.9
137.05952	15.6
137.09517	2.2
138.06750	2.0
139.07491	2.3
140.13351	0.4
141.06958	3.3
142.62418	0.4
143.08530	1.0
145.06444	4.3
145.10080	1.0
147.07980	0.7
148.05156	2.9
149.05952	7.0
150.06721	0.5
150.12926	0.5
151.07498	3.2
152.06136	1.0
153.05673	0.7
153.06963	3.4
154.07742	2.0
155.08521	2.1
157.06494	2.4
157.10101	0.7
159.08017	2.7
159.11682	1.0
161.05962	1.0
163.07507	2.4
164.08318	2.0
165.05659	0.9
165.06978	10.6
165.09114	1.4
166.07726	1.7
167.08574	2.1
168.05719	2.2
169.06464	4.2
169.10080	0.8
171.04448	0.5
171.07997	2.7
171.11658	1.0
173.05992	0.8
173.09499	0.5
173.13197	0.8
176.06157	0.6
177.06978	1.4
178.07753	1.6
179.08514	2.8
180.41707	0.4
181.06451	10.6
182.07227	7.1
183.08028	5.6
183.11609	0.5
184.05197	0.6
184.08772	0.5
185.05824	1.3
186.06819	0.6
188.08241	1.0
192.05692	1.1
193.06407	3.1
194.07233	3.0
195.08017	3.0
196.05136	1.8
196.08842	2.2
197.05954	8.0
197.09613	7.0
197.13239	0.8
198.06715	1.0
199.03853	2.9
199.07504	5.6
199.14705	0.7
201.09137	0.8
207.07961	0.9
208.08763	0.5
209.05887	2.9
209.09554	0.4
210.06709	10.6
211.07523	9.2
212.08186	0.9
213.05417	0.5
213.09061	2.6
214.06247	3.4
214.09772	0.7
223.62529	0.4
224.08237	1.8
225.05734	2.2
225.09055	11.1
226.09831	8.1
227.06976	4.4
229.05026	0.5
229.08571	1.5
229.12169	1.2
239.06969	3.6
239.10548	1.3
240.07356	0.5
241.08505	3.2
242.05786	2.1
242.09334	12.4
255.06627	0.6
256.07159	1.3
257.08069	12.2
257.11673	100.0
257.18893	2.6
258.08319	0.6
258.12076	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	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01856	1.4
55.05499	4.1
57.03160	0.8
57.03428	11.1
57.07051	0.7
60.86535	0.5
65.03944	0.8
67.05494	44.1
68.99773	1.2
69.03410	1.9
69.07056	4.6
71.04974	2.1
71.70016	0.8
79.05480	5.8
81.03405	1.6
81.07043	32.0
82.07377	0.7
83.04956	1.5
85.02892	0.7
85.06497	0.9
87.04453	0.7
91.05456	3.9
93.07023	5.3
95.04954	4.8
95.08590	15.3
97.06520	1.3
98.97572	2.5
99.04428	2.3
99.08084	2.7
105.07030	2.2
107.04940	6.3
107.08569	4.7
109.06499	2.4
109.10136	100.0
110.10511	1.3
111.00787	2.5
111.04437	0.8
111.08070	0.6
113.05992	0.6
116.98621	1.0
117.07003	1.3
119.08568	5.7
121.06482	0.7
121.10121	2.3
123.04441	0.9
125.05975	2.4
127.07545	1.0
127.25597	0.7
131.04898	4.1
133.10115	1.4
135.11656	1.2
137.09592	94.7
138.09927	1.4
139.03893	0.8
145.06548	0.8
147.04358	0.7
147.07968	3.0
147.11731	0.5
155.10651	9.4
158.99611	0.7
161.13261	1.6
163.03926	1.6
165.09088	44.7
166.09398	0.8
169.10117	0.6
173.01251	0.6
173.05951	2.1
177.00717	0.9
179.14268	1.2
183.10173	2.6
197.05899	1.1
201.05376	0.7
201.11227	2.3
211.07532	0.9
221.15392	0.6
225.05389	0.6
227.94250	0.5
229.04942	2.8
229.08565	1.1
239.07005	0.7
239.12726	7.8
239.16333	1.0
242.10588	0.8
245.28087	0.6
257.04413	7.5
257.08090	7.7
257.13803	30.7
257.22522	0.9
258.05048	0.6
258.14133	0.6
260.06168	0.6
276.18594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
53.17513	6.8
55.01876	10.6
69.03431	6.9
69.07057	8.0
71.04962	8.8
71.68945	6.6
71.69365	10.3
72.08160	7.4
75.41740	6.6
79.05487	15.8
81.07040	13.0
84.08136	8.5
85.06538	13.0
91.05461	22.1
92.55365	5.4
93.07030	28.6
95.04942	10.4
95.08599	13.4
95.21927	6.0
105.07034	55.5
107.04938	12.2
107.08595	60.8
109.06539	10.0
109.10127	7.6
115.05489	7.8
117.07011	12.4
119.04959	7.2
119.08562	27.8
121.06503	19.2
123.08064	24.4
126.44839	5.9
133.06490	10.5
133.10109	50.9
135.08022	93.3
141.09096	6.5
147.04428	8.3
147.11641	48.0
151.07593	7.1
151.11275	7.1
152.07054	13.5
153.09142	39.4
157.10114	20.5
159.11595	9.1
161.05919	9.2
163.11211	21.3
173.05980	9.4
175.11166	100.0
181.56697	6.7
187.03931	10.3
189.05460	18.6
193.12228	67.2
201.05438	35.2
203.03470	31.2
203.10652	18.9
211.13268	52.8
215.03502	7.9
221.11707	37.7
229.04886	34.9
239.12564	8.1
257.04425	90.9
257.08069	14.4
257.18829	15.7
262.85687	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	257.1895
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05487	4.4
55.33021	1.0
57.07079	2.2
61.49575	1.0
67.05515	5.7
69.07062	5.6
70.28371	1.5
70.28770	3.0
71.04983	5.1
72.08131	2.5
79.05476	6.1
81.07037	6.3
83.04966	3.1
83.08579	2.9
85.06525	3.5
90.09219	1.1
91.05472	9.3
93.07031	15.8
95.04961	5.1
95.08586	11.2
97.06498	1.9
105.07018	23.6
107.04934	1.1
107.08582	14.4
109.06490	7.8
109.09634	0.9
109.10157	9.3
111.08042	2.3
115.05424	1.6
117.06993	5.4
119.08560	22.8
121.06441	1.2
121.10129	59.9
123.08031	4.4
123.11693	1.8
128.06180	1.7
129.06970	5.2
130.07823	1.4
131.08543	13.0
133.10117	10.9
135.08032	13.3
135.11671	3.5
137.09573	4.4
141.06995	1.4
142.07774	6.4
143.08540	17.2
144.09288	3.0
145.10110	20.3
147.11707	2.4
149.09579	3.7
151.11130	1.3
153.06955	1.6
155.08554	4.9
156.09286	3.5
157.10109	25.7
158.10896	6.0
159.08006	1.9
159.11671	29.4
161.09622	2.9
161.13206	1.8
163.11147	3.9
167.08536	1.0
168.09291	2.9
169.10085	11.2
170.10863	2.7
171.11673	13.5
173.09618	3.4
173.13245	25.5
174.14038	4.6
175.11143	3.6
175.14807	3.1
177.12697	2.4
181.10062	2.1
182.10928	2.6
183.11684	11.0
184.12422	3.8
185.13217	3.6
187.11157	8.2
187.14790	6.1
189.12714	3.4
195.11629	2.3
196.12451	1.0
197.13210	7.8
199.14795	34.6
201.12704	9.4
209.13226	2.8
211.14734	1.5
213.16350	12.1
214.17172	3.5
215.14293	3.5
215.17918	10.2
224.15556	1.7
229.19379	1.6
239.17918	15.0
257.18970	100.0
258.19400	3.2
258.27859	12.4
258.99951	1.0
268.76215	1.0
274.37823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1893
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01846	1.9
55.05489	5.9
57.03419	2.1
57.07056	4.6
57.27534	1.6
67.05499	10.2
69.07041	5.7
71.04958	3.7
71.54094	1.7
71.68870	3.4
72.08138	2.5
73.02161	2.2
79.05474	9.1
81.07033	13.3
83.08597	2.5
85.06519	2.6
87.58791	1.6
90.09176	3.2
91.05460	13.4
93.07024	16.9
95.04942	2.6
95.08589	15.2
97.06505	3.3
103.05440	2.4
105.07013	32.2
107.04914	2.8
107.08577	17.3
109.06491	4.9
109.10146	13.9
111.08051	3.2
115.05394	2.4
117.06996	10.7
117.35336	1.8
118.96461	2.0
119.08563	19.1
121.10120	91.5
123.08036	6.0
123.11648	3.6
126.52663	1.7
128.06174	4.9
129.06984	9.9
130.07697	3.8
131.04898	1.8
131.08553	17.6
133.06497	2.6
133.10068	8.2
135.08017	16.1
135.11707	3.0
137.09552	3.2
137.78583	2.1
142.07709	4.6
143.08537	21.3
145.06429	4.0
145.10083	22.9
147.11626	2.1
149.09554	5.1
151.11108	1.9
153.06949	3.5
154.07764	2.6
155.08542	6.6
156.09352	3.2
157.10104	20.6
159.11667	13.7
163.11087	2.0
165.06970	5.5
166.07727	2.1
167.08427	3.7
169.10107	11.8
171.11636	10.9
173.09508	3.2
173.13202	16.2
179.08418	2.0
181.06514	3.3
182.07208	6.1
183.07993	3.5
183.11569	11.6
185.13187	2.4
187.11174	6.0
187.14789	3.2
195.08003	4.1
196.08759	2.3
197.05884	3.0
197.09589	12.0
197.13196	8.4
199.07480	4.5
199.14790	30.1
200.14966	1.6
201.12721	6.3
210.06721	5.5
211.07571	9.0
211.09288	2.2
211.14774	3.5
213.09018	2.1
213.16290	10.5
215.14418	3.2
215.17863	5.6
224.08284	3.7
225.09079	20.0
226.09840	18.3
227.06958	7.6
237.89079	1.8
239.06943	3.0
239.10677	2.5
239.17923	13.0
242.09311	12.6
257.08044	6.0
257.11664	69.3
257.18942	100.0
257.26602	12.2
258.12180	3.4
258.19217	2.9
258.27863	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	258.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90918	0.9
53.03924	2.1
55.01861	2.0
56.05023	2.2
56.96556	10.5
57.03419	2.3
58.85401	1.1
61.02900	2.3
65.03933	1.5
67.05489	1.3
69.03417	19.4
69.07035	1.6
70.06577	5.3
70.62442	3.8
71.04966	1.0
72.08134	2.1
72.93769	1.2
73.02881	2.6
79.05473	1.6
80.05007	6.8
81.03409	0.9
82.06564	11.2
83.04951	1.2
84.04472	3.9
84.08118	4.7
85.02893	13.0
86.09689	2.1
91.05419	1.2
97.02882	16.9
97.99201	1.0
98.06010	2.9
98.97564	5.4
100.02188	7.9
104.10708	4.0
107.04922	1.4
108.04465	18.0
109.05268	1.1
110.97566	1.7
112.07605	1.2
115.03896	4.3
116.98602	3.7
117.03382	1.1
118.90089	1.0
121.02808	1.3
121.06482	2.0
123.04403	2.0
124.03930	3.9
125.04179	1.1
126.05495	46.0
127.03902	1.5
127.06308	5.0
128.98622	1.2
131.00151	1.8
134.99620	2.9
135.04401	3.1
138.05453	2.1
140.03383	1.2
143.00081	1.4
146.02681	7.4
146.99634	2.2
147.03152	4.0
147.04286	1.3
149.01178	2.2
149.02321	4.2
151.06264	1.8
152.06992	1.2
155.04655	1.4
156.03322	2.6
158.97354	1.2
158.99561	1.4
161.01244	1.4
161.02762	1.1
163.03873	3.7
166.04982	1.1
168.06516	1.7
171.03183	2.6
174.04388	3.2
177.00685	3.8
181.16510	1.1
182.03232	1.0
184.00224	1.0
186.04384	5.6
189.04277	3.7
204.05447	6.0
213.05370	2.4
213.07181	1.4
215.02234	1.4
217.00064	1.4
230.05186	1.2
231.06580	1.7
234.98972	2.4
235.01189	1.3
237.03059	1.0
240.08662	7.0
249.02916	1.2
258.09714	100.0
259.05869	2.3
259.10010	1.6
267.03705	1.3
276.03891	1.1
276.07590	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	259.0961
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
54.03807	0.4
55.05509	0.7
65.03925	1.7
67.05475	0.5
68.38336	0.4
68.99770	1.1
69.07040	0.4
69.47598	2.3
69.48020	1.7
70.99890	0.4
72.54916	0.5
79.05479	1.8
91.05466	100.0
92.05804	0.9
93.07028	0.5
97.06494	0.5
103.05441	1.0
105.07013	75.9
106.07335	0.9
111.00765	1.7
115.05425	1.2
117.07016	0.5
119.08547	1.0
121.06506	0.8
121.11901	0.4
124.28265	0.4
127.03905	6.2
129.06966	0.6
131.08566	1.6
133.06465	12.0
133.10126	0.7
139.03925	2.1
145.10023	0.6
146.09618	0.6
147.11693	0.8
149.02324	0.8
151.03848	1.1
151.07457	0.5
153.01808	1.7
153.05424	0.6
155.03386	4.0
157.06447	0.7
159.11626	0.8
163.03896	1.2
167.08618	0.5
171.08087	0.5
175.07640	0.5
213.05408	0.6
227.06769	0.6
241.08528	1.8
259.05884	1.0
259.09637	10.6
259.12836	0.8
259.20526	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	259.0962
Annotation	4-Methoxy-2,5,9-trihydroxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03938	3.3
54.17585	1.7
55.01856	7.0
55.05495	2.8
57.07044	1.7
67.05486	3.7
69.07037	2.8
71.67849	3.0
79.05479	7.5
81.07039	2.9
81.84879	1.5
85.02856	2.2
91.05470	17.1
93.07024	12.3
95.04944	4.2
95.08582	4.0
97.06521	2.5
103.05443	7.9
105.07005	13.3
107.04948	8.9
107.08551	2.4
109.10104	3.9
115.05441	2.7
119.08592	2.9
121.06487	39.8
121.10108	2.3
123.04440	4.4
125.05971	6.2
128.06165	3.5
129.06985	3.8
131.08559	2.3
133.06461	3.3
133.10130	2.6
135.07974	2.7
137.05930	6.2
138.06631	1.6
139.07504	2.1
143.08546	4.4
145.10031	2.3
147.04388	4.6
147.11613	2.0
149.02255	1.6
151.07518	22.7
152.06172	4.9
152.07169	3.4
152.08205	2.3
153.05446	14.3
153.06966	20.7
155.08493	2.4
157.06483	13.5
159.11658	2.7
165.06995	7.9
165.09068	11.6
167.08571	1.7
169.06477	5.9
170.07253	8.5
171.08063	13.3
171.11693	2.7
173.13208	1.7
180.05649	4.5
181.06451	75.0
182.07254	10.7
183.08017	7.1
184.05219	2.5
185.09598	5.3
189.12520	1.8
195.08002	5.6
197.05894	2.5
198.06725	19.8
199.07523	31.5
209.05946	34.2
210.06737	6.5
211.07550	1.9
213.05821	1.7
213.09073	57.6
223.07626	4.3
226.06245	12.9
227.07008	77.0
228.07689	4.1
231.10117	3.4
241.08563	100.0
242.09026	2.1
244.07220	3.4
259.09622	66.4
259.13248	26.5
259.16965	3.0
259.20526	5.8
259.24408	2.2
260.10226	2.6
260.12888	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	259.0961
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
51.02375	0.2
53.03930	0.2
55.01852	0.2
55.05494	0.6
62.55500	0.1
63.02358	0.2
63.58606	0.1
65.03928	2.3
67.05505	0.8
68.99770	1.2
69.03410	0.3
69.07064	0.7
77.03909	0.2
79.05478	1.9
80.61792	0.1
81.03420	0.3
81.07060	0.8
83.04969	0.2
83.08588	0.2
86.04214	0.1
89.03873	0.3
91.05462	100.0
92.05779	0.9
93.07046	0.7
94.91301	0.1
95.04939	0.8
95.08582	0.8
97.02878	0.3
97.06511	2.6
98.00459	0.1
103.05464	1.1
105.07008	71.4
106.07368	0.4
107.04941	0.4
107.08568	0.7
109.02845	0.3
109.10126	0.5
111.00780	2.2
111.04433	0.3
115.05424	1.4
117.03310	0.2
117.07075	0.2
119.08537	0.8
121.02926	0.2
121.06493	1.2
121.10130	0.5
123.04412	1.1
125.06004	0.3
127.03889	5.8
128.06175	0.2
129.06960	0.6
131.08554	1.1
132.08102	0.2
133.06462	10.8
133.10130	0.3
135.04393	0.7
135.11641	0.2
137.05838	0.2
139.03880	1.9
143.08562	0.2
145.10071	0.5
146.09619	0.6
147.08012	0.2
147.11693	0.3
149.02242	0.2
149.13278	0.3
151.03871	1.1
151.07555	1.1
152.06139	0.2
153.01790	1.4
153.05429	0.3
153.06863	0.2
155.03363	3.6
155.08481	0.3
157.06465	0.5
157.10106	0.4
159.11710	0.4
159.94313	0.2
161.02310	0.2
161.13289	0.2
163.03870	2.3
165.09074	0.4
167.08539	0.4
169.06300	0.1
171.08012	0.3
171.11699	0.3
173.02293	0.8
175.07503	0.2
181.04927	0.5
181.06424	0.2
185.09637	0.2
185.13168	0.3
187.07457	0.2
187.14850	0.2
199.07423	0.2
199.14923	0.2
201.16319	0.3
215.06979	1.1
217.08540	0.6
223.07489	0.2
227.06898	0.4
241.08546	2.3
241.19521	0.2
259.09607	11.2
259.13190	0.8
259.16846	0.7
259.20480	0.6
259.24179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
53.40707	1.6
55.01860	12.9
55.05504	11.0
56.05025	13.9
58.99573	10.8
61.01132	4.4
64.22163	1.6
65.03927	3.2
67.05483	4.9
68.05019	4.3
68.99757	2.5
69.07049	8.6
70.82409	2.6
72.66900	1.7
73.01115	2.4
74.00639	2.4
76.02233	3.9
76.03969	3.6
79.05483	58.5
80.04994	5.9
81.07043	29.8
82.06580	9.4
83.08611	2.6
84.04477	9.0
85.01117	100.0
85.04018	6.3
86.00636	31.7
86.99026	6.9
88.02177	3.4
89.03890	1.9
89.24901	1.9
91.05465	71.5
92.01702	2.2
93.07024	5.6
94.06577	8.3
95.04926	4.6
95.08575	4.7
96.08143	11.2
97.01094	4.7
97.06509	26.1
97.08897	9.1
98.09678	33.5
100.02144	2.2
103.05464	2.6
105.07012	54.2
107.04912	2.9
107.08567	2.8
108.08105	5.1
109.08870	2.5
109.10066	1.7
110.09650	16.5
111.00780	6.3
111.02680	2.9
112.03943	11.1
113.04212	95.3
115.05452	4.9
116.01659	22.2
117.03387	1.8
121.06496	3.5
121.94759	1.7
122.09661	15.8
123.10413	2.6
127.03901	11.2
129.07062	1.9
130.03989	2.1
130.04976	42.0
131.04524	2.3
131.08519	3.3
133.06453	6.1
135.04381	2.7
139.03885	2.3
139.05775	3.6
143.02690	4.1
144.01115	5.1
145.06242	1.7
147.04414	2.8
149.02303	2.5
151.07536	2.8
155.03381	1.9
156.08398	70.4
156.10176	36.5
157.06488	2.9
159.04413	2.0
161.02362	6.4
162.02177	4.7
163.03854	12.9
171.08000	3.0
173.02370	13.0
177.03275	8.8
189.03253	7.2
195.08026	2.1
199.07535	4.2
207.02859	3.3
215.06972	11.8
217.08553	2.1
241.08554	6.1
242.08473	13.3
259.11450	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16838	1.5
53.03924	2.6
55.01867	8.5
55.05510	10.6
56.05027	13.0
58.99573	12.0
61.01137	2.1
61.68866	1.5
67.05491	3.7
68.05009	7.3
69.07041	6.7
70.02923	1.7
70.08115	5.5
70.08523	4.0
74.00648	3.8
76.02206	4.7
76.03993	4.0
79.05479	54.9
80.04995	6.6
81.05753	2.1
81.06594	2.7
81.07039	28.3
82.06560	13.1
83.08595	5.3
84.04491	7.7
85.01115	100.0
85.04009	5.7
86.00156	2.6
86.00637	27.4
86.99023	7.4
88.02190	5.1
89.03884	2.1
91.05452	13.9
93.07024	7.7
94.06557	10.0
95.04929	4.9
95.07325	2.2
95.08563	6.8
96.08125	12.6
97.01107	4.7
97.06516	32.0
97.08909	10.2
98.09674	26.6
99.96388	1.4
100.02192	2.4
103.05483	1.9
105.07011	13.5
107.04901	2.1
107.07276	1.9
108.08083	6.2
109.08884	3.7
109.10077	2.2
110.09676	13.0
111.02647	1.9
111.33955	1.8
112.03939	12.7
113.04214	90.9
116.01659	19.8
117.03324	2.4
118.44626	1.5
119.08564	2.7
121.06499	4.2
122.09646	12.3
123.10389	4.7
130.04984	38.4
130.08565	1.6
131.04501	2.9
131.08479	1.7
135.04373	2.9
139.05728	8.3
143.02711	3.3
144.01099	4.8
145.02829	2.0
156.08391	65.4
156.10173	35.4
159.04373	2.4
161.02374	7.6
162.02235	4.3
163.03902	12.8
171.11627	1.7
173.02333	15.7
177.03226	10.2
189.03238	8.3
215.07008	15.8
242.08418	13.4
259.11191	40.6
259.13733	2.8
259.20554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1323
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03937	4.7
56.46120	0.8
60.12654	0.9
70.82236	2.7
77.03905	1.3
79.05460	5.8
91.04932	1.4
91.05464	19.1
93.07032	22.2
95.04955	8.6
103.05452	25.6
105.04502	1.3
105.07008	15.7
107.04951	7.6
118.04133	1.5
120.05681	3.8
121.06483	100.0
123.08061	1.8
135.08046	6.5
137.05920	1.0
139.07515	4.7
149.24698	0.9
150.06705	4.9
151.07513	69.0
152.08302	6.9
153.09006	1.2
165.09084	34.7
227.10649	1.8
259.13251	51.2
260.13773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1325
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
51.02377	1.2
53.03936	4.3
55.01856	2.6
55.05501	1.6
57.03431	0.6
62.48093	0.6
65.03939	1.0
67.05484	2.6
69.03403	0.7
69.07054	10.3
70.15897	3.1
77.03905	0.8
79.05479	10.9
79.56009	0.7
81.03400	0.8
81.07048	2.9
83.04958	0.8
83.08640	0.8
85.06528	1.3
89.03909	4.0
91.05458	21.6
93.07029	24.4
95.04951	9.0
95.08601	3.1
97.06513	16.4
103.05450	21.0
105.03387	1.2
105.04470	1.7
105.07011	17.1
106.04151	0.8
107.04936	8.8
107.08560	2.3
109.06508	2.2
109.10156	1.2
117.03358	5.3
117.06989	1.0
119.04878	0.8
119.08573	2.6
120.05740	3.4
121.06485	100.0
121.10111	1.5
122.07215	0.8
123.04452	0.7
123.08031	2.4
128.06223	1.3
129.07007	1.3
129.64944	0.7
131.08566	1.1
133.02835	1.3
133.06433	1.1
133.10103	1.9
134.03615	1.3
135.04396	9.0
135.08038	4.6
135.11670	1.1
137.05959	1.7
139.07532	4.3
143.08531	1.3
145.02844	4.4
145.10107	1.8
147.08069	0.8
147.11626	1.6
149.02361	1.6
149.09618	0.7
149.13220	1.3
150.06721	4.5
151.07516	63.9
152.08289	7.1
153.09163	1.2
157.06470	1.1
157.10097	1.7
159.11673	1.5
161.02348	2.5
161.09657	0.7
161.13263	1.1
163.03876	36.5
165.09090	33.6
171.11652	1.3
173.02361	4.2
185.05925	0.7
185.09595	1.8
185.13182	1.4
191.03384	2.3
195.08014	1.1
199.07472	0.9
199.14777	1.2
201.16396	1.4
203.10696	0.7
203.17957	0.8
213.05418	1.7
213.09004	0.8
213.16443	0.9
215.06995	4.8
217.04942	8.9
217.12134	0.7
227.10631	1.8
231.06546	1.7
241.08607	1.3
241.12109	1.0
241.19499	1.5
259.06058	4.5
259.09714	11.3
259.13293	65.2
259.20605	4.0
259.23969	3.0
260.09866	0.7
260.13467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.83100	1.3
53.03933	3.0
54.01493	1.6
55.05495	8.1
57.07046	3.3
57.51637	1.6
67.05492	9.7
69.07061	33.1
69.45364	5.6
69.45786	8.7
71.04984	21.7
79.05478	7.4
81.07043	17.7
83.04958	4.3
83.08600	7.9
85.06535	20.0
91.05483	12.8
93.07034	18.8
95.04948	5.4
95.08090	1.8
95.08593	19.8
97.06506	4.6
98.21473	2.9
99.08043	1.8
103.05464	5.2
105.03372	6.7
105.07021	28.9
107.08577	23.3
109.06495	7.3
109.10130	13.1
111.08058	10.1
115.05405	1.8
117.07002	8.5
119.07735	2.8
119.08568	51.0
120.09289	1.9
121.06470	16.5
121.10126	11.4
123.08090	2.2
123.11697	26.1
129.06982	3.8
130.07777	2.1
131.08577	15.2
132.40874	1.6
133.10110	35.6
135.08041	13.9
135.11693	3.9
136.95044	1.5
137.09595	3.9
142.07800	2.9
143.08493	9.2
144.09314	3.5
145.10103	34.8
147.11667	18.7
149.09634	2.8
149.13255	2.6
151.07526	11.7
156.09309	4.0
157.10126	13.8
159.11671	30.0
160.12370	2.9
161.13251	31.0
163.11177	4.4
165.09091	7.3
170.10933	3.0
171.11676	13.0
173.13248	10.7
175.11154	5.6
175.14801	82.0
176.15546	4.5
177.12711	3.1
177.16399	3.4
181.06425	1.6
185.13257	16.8
189.12698	3.2
189.16383	4.9
190.13417	3.1
199.14746	5.2
201.16368	24.0
203.14325	10.9
215.17923	6.0
217.19489	4.0
229.09975	1.9
229.15880	2.1
241.19484	17.2
245.18262	1.7
259.13074	8.8
259.20544	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.40033	1.5
53.03932	3.0
55.01861	9.0
55.05503	33.4
57.03426	9.0
57.07071	7.8
65.03934	1.7
67.05498	20.9
68.99738	1.9
69.03408	6.0
69.07059	53.4
69.80744	10.9
70.07355	1.8
71.04977	6.4
71.08598	2.8
71.65836	1.7
79.05485	27.4
81.03415	1.5
81.07041	24.4
83.04958	6.4
83.08597	25.7
85.06534	22.1
89.03875	10.3
91.05463	17.9
91.17378	1.5
93.07029	25.1
95.04955	7.2
95.08588	23.3
97.02878	3.3
97.06516	100.0
97.10146	7.2
98.06850	3.2
98.20731	1.8
99.08091	14.5
103.05455	3.4
105.03367	1.6
105.07008	30.3
107.04961	4.2
107.08578	22.1
109.06510	4.5
109.10125	20.0
111.08065	4.3
113.09665	2.4
115.07521	1.6
117.03371	9.2
117.07001	5.5
119.08562	30.2
121.02882	2.0
121.06492	17.1
121.10123	26.1
123.08047	2.5
123.11680	5.9
125.09615	5.9
129.06979	4.7
131.08551	10.6
133.02823	5.1
133.10106	32.6
134.03618	4.6
135.04410	17.8
135.08005	3.3
135.11636	4.2
139.11165	5.1
141.07014	1.9
142.07758	4.9
143.08525	12.2
144.09360	3.9
145.02824	12.0
145.10088	25.3
147.07973	3.8
147.11661	17.4
149.02332	3.9
149.09583	4.4
149.13258	12.9
151.07532	10.0
151.11159	3.4
155.08502	2.2
156.09351	5.9
157.10110	19.5
159.11661	22.4
161.02260	10.4
161.09599	6.9
161.13226	5.0
163.03880	83.7
164.04187	3.7
165.09105	6.0
165.12709	4.9
167.14288	6.1
170.10915	8.4
171.08035	1.7
171.11682	19.9
173.02318	36.9
173.13222	9.8
175.11183	2.6
175.14789	5.4
177.12741	2.8
179.14236	2.0
181.10004	1.9
184.12469	6.7
185.13243	20.9
186.14026	2.2
187.14777	3.2
189.12729	6.6
189.16357	3.8
191.14288	7.4
197.13213	1.8
199.14795	40.2
201.16351	50.1
202.12187	3.6
203.14323	9.4
213.09059	1.8
213.16396	2.9
215.06982	33.2
217.04932	8.0
217.15808	2.3
231.06482	2.7
241.08693	2.2
241.19514	13.0
259.06552	3.3
259.09628	24.8
259.13022	8.5
259.20822	64.6
260.19931	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2053
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.74869	1.2
53.03931	3.1
55.01863	7.0
55.05504	10.6
57.03400	2.3
57.07048	5.5
65.03921	2.0
66.90627	1.0
67.05490	15.4
68.99776	1.4
69.03397	4.9
69.06695	1.9
69.07059	32.9
69.39474	13.5
71.04972	3.4
71.45146	1.1
79.05089	1.4
79.05482	16.6
81.03383	1.8
81.07037	15.4
83.04946	4.5
83.08598	5.0
85.06529	35.8
89.03895	13.5
91.05470	17.3
91.31744	1.1
93.07028	17.5
95.04974	5.9
95.08588	19.2
97.02872	2.9
97.06515	37.9
97.10216	1.0
98.20700	2.2
99.08082	23.7
103.05428	5.5
105.03369	2.0
105.04491	1.2
105.07012	34.4
107.04932	8.1
107.08575	12.6
109.06487	5.3
109.10161	9.7
111.08068	3.1
113.09586	2.9
115.05444	2.1
117.03349	12.6
117.06996	7.5
119.08557	35.9
121.02811	2.3
121.06483	25.4
121.10123	30.2
123.04414	1.7
123.08054	3.2
123.11673	3.8
125.09586	5.0
128.06174	2.7
128.66687	1.1
129.06989	5.2
130.07776	1.4
131.08549	10.4
132.09328	1.4
133.02809	1.9
133.06444	2.3
133.10104	26.8
134.03595	5.0
135.03459	2.1
135.04402	27.2
135.08002	4.1
135.11661	4.3
137.09589	2.0
137.13229	1.3
139.07553	1.3
139.11166	5.1
142.07767	3.6
143.08531	13.3
144.09312	2.6
145.02823	15.0
145.10098	17.2
147.08023	4.7
147.11668	25.1
147.12837	1.6
149.02307	3.0
151.07529	13.3
151.11151	2.1
152.08292	1.7
155.08553	1.3
156.09253	2.9
157.06487	2.9
157.10141	13.9
159.04333	1.7
159.08040	1.2
159.10539	2.0
159.11681	21.9
161.02321	2.8
161.09605	6.0
161.13200	4.7
163.03880	100.0
163.11096	1.5
163.14795	1.5
164.04239	2.2
165.09052	7.8
165.12694	3.9
167.08469	1.6
169.10023	1.6
170.10910	3.5
171.04379	1.5
171.07983	2.3
171.11661	15.0
173.02335	4.9
173.13229	9.7
175.11087	3.5
175.14842	7.7
177.05280	1.5
177.12669	2.0
179.14333	1.8
184.12354	1.4
185.05899	1.6
185.09602	1.9
185.13214	20.2
186.13838	2.3
189.09056	1.5
189.12683	2.9
189.16328	4.0
190.13498	2.7
191.03346	7.4
195.07843	1.6
197.13225	1.4
199.14822	12.9
201.16370	53.8
203.14288	7.8
213.09085	1.5
213.16388	2.7
215.06940	3.4
217.04927	29.7
230.05835	1.3
231.06444	2.1
241.04910	1.3
241.08484	3.7
241.15787	1.5
241.19469	13.6
259.06027	3.9
259.09610	35.3
259.13248	17.0
259.17059	4.8
259.20529	64.2
259.23996	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	261.028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
56.96555	71.4
59.21378	1.1
60.95832	6.4
69.03403	1.7
70.06570	2.9
70.33298	5.1
70.98109	3.1
71.95248	3.7
73.02893	1.4
74.97589	9.2
81.03414	1.0
84.08128	10.9
84.96020	11.1
85.02886	5.0
85.08469	2.6
86.09684	9.7
86.97591	1.3
90.47929	1.1
92.98647	2.7
97.02885	1.9
98.97565	100.0
99.97952	1.4
102.96849	23.9
110.97561	12.3
112.99116	8.6
113.03484	3.9
116.00230	1.5
116.98602	75.6
117.03307	1.3
119.01899	5.3
120.97890	23.2
121.01649	2.9
124.99127	2.4
125.86632	1.2
127.00694	2.2
128.98584	18.8
129.10242	2.8
131.00127	14.2
131.01854	1.6
133.03447	3.1
134.00699	1.7
134.92548	1.3
134.99631	46.2
136.00056	1.2
136.06172	1.8
138.98923	15.3
140.00125	3.3
140.98582	10.7
142.96501	1.7
143.00150	19.8
143.01175	1.8
145.01709	5.0
146.99603	12.7
147.03241	1.7
148.02208	1.2
148.06036	2.4
149.01176	11.8
152.98582	1.8
153.00696	4.7
155.00099	1.9
157.00012	1.1
157.02632	1.9
158.01288	1.2
158.99635	19.9
161.01199	25.7
161.02789	2.3
162.99057	1.6
163.03831	2.6
164.01804	1.1
165.00699	4.0
170.99597	15.9
172.94347	1.8
173.01213	14.0
173.02745	2.2
174.99120	2.0
175.02721	2.6
176.93608	1.6
177.00700	25.5
177.05946	1.1
178.04945	1.7
179.02254	3.9
180.04597	1.9
182.01244	1.3
182.99550	1.5
189.00673	17.6
190.95445	1.6
191.02232	12.2
191.03806	2.0
193.03813	3.0
193.07419	1.4
194.94679	4.4
195.01688	3.0
197.02342	1.9
201.00670	17.0
201.02396	1.8
203.02261	1.7
203.04031	1.1
205.01576	1.5
205.03651	1.6
206.02806	7.1
207.01735	5.6
211.04814	1.8
212.95633	2.3
213.00706	3.3
215.03061	1.4
219.01714	37.6
221.05069	3.4
229.03259	8.7
231.01732	2.7
236.95723	5.6
237.02788	35.8
243.01756	1.4
243.04904	1.4
249.02734	1.8
253.07533	1.7
254.96907	2.1
255.03874	3.1
256.04813	1.4
260.95990	5.4
260.99664	4.5
261.02850	30.9
261.05817	48.8
261.08896	4.7
261.09418	4.6
261.14706	2.2
278.96790	37.8
279.00537	5.7
279.03619	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	261.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	12.3
60.95838	1.4
71.68563	0.3
71.95240	1.2
74.97579	1.3
74.97958	0.3
84.95998	1.3
92.98604	0.6
98.97566	30.2
99.97903	0.4
100.97141	0.8
100.98011	0.3
101.00855	1.1
102.96857	4.6
110.97538	1.2
116.98602	29.3
117.98957	0.4
118.98194	0.9
118.99014	0.7
119.01090	0.5
119.01902	8.5
120.01963	0.4
120.97890	4.7
124.99075	0.3
128.98581	2.2
131.00160	0.5
134.92511	0.5
134.99635	18.5
135.99948	0.6
137.02933	2.7
138.98921	3.2
140.00160	0.9
140.98576	1.6
143.00148	3.2
145.01695	0.5
146.99612	2.2
149.01120	0.4
149.04849	0.7
153.00685	2.5
155.00081	0.5
157.00021	0.5
158.01219	1.4
158.99660	3.5
161.01175	4.7
161.02609	0.4
161.02892	0.4
170.99641	1.9
173.01195	2.0
176.93556	0.6
177.00897	18.3
178.01007	1.2
179.00801	0.5
182.99863	0.7
189.00659	3.0
191.02255	1.5
194.94717	0.9
195.01854	0.6
200.02431	0.5
201.00745	3.0
207.01706	0.8
212.95738	0.7
217.04030	2.8
218.03548	0.4
219.01935	25.4
220.02074	1.3
221.01715	2.3
222.01796	0.4
225.00882	2.2
236.95764	0.6
237.02774	4.3
237.98633	0.5
238.98532	0.4
242.03450	0.7
242.98346	1.0
243.01917	8.6
244.02145	0.4
253.07396	0.5
254.96588	0.7
260.04626	0.4
260.99692	8.6
261.02997	100.0
262.03128	5.8
263.03424	0.4
277.00787	0.4
278.96780	7.4
279.00574	14.4
279.03815	2.5
284.01462	0.6
284.04575	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	261.0751
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
50.97355	0.6
53.03936	1.6
55.01866	2.1
65.03934	0.8
66.32554	0.6
67.05492	6.3
68.99777	8.3
69.03408	0.8
70.06583	1.0
71.68987	0.7
71.69408	1.1
77.03931	0.7
79.05484	2.5
81.03395	3.1
83.04972	3.0
84.08079	0.6
85.02861	0.9
86.09708	0.8
91.05466	1.4
92.50369	0.7
93.07043	0.9
95.04943	10.5
98.19359	0.7
102.25324	0.6
103.05456	6.2
105.06969	0.7
107.04938	21.1
109.02852	2.2
110.03668	1.3
111.00792	2.8
111.04446	0.9
115.05450	1.6
117.06994	1.3
121.02804	1.2
123.04408	70.5
127.03906	8.7
128.06178	0.8
130.06506	2.0
131.04906	20.6
131.05887	1.1
135.04391	9.4
135.70175	0.6
136.05183	2.8
137.02306	2.5
139.03882	4.3
141.06978	2.6
142.12616	0.6
145.06427	2.2
145.07491	0.7
147.04398	1.4
147.08029	1.0
149.02304	2.6
149.05934	8.5
150.03055	1.8
151.03877	100.0
152.04672	4.9
153.05440	2.0
158.06030	2.9
159.04362	8.6
159.08037	0.8
163.03883	2.2
169.06458	4.2
170.06001	3.2
173.05956	4.6
175.07532	1.3
177.05423	8.6
187.03868	1.3
187.07503	1.6
188.07063	2.3
191.07080	0.9
197.05949	7.5
201.05435	1.9
215.03381	2.2
215.07051	7.4
219.06494	2.9
225.05417	4.0
243.06483	7.5
261.04010	4.4
261.07541	50.3
261.12198	2.3
261.22180	0.9
262.07935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0753
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
53.03934	1.4
53.47997	0.5
55.01855	2.7
55.05507	0.7
56.05018	2.4
56.96554	0.7
58.99571	0.7
60.99153	0.9
65.03928	1.4
67.01879	0.5
67.05493	5.5
68.99783	6.8
69.03403	1.4
69.07030	0.6
70.02946	0.6
70.06576	1.1
71.69264	0.5
71.69675	0.8
72.08151	0.5
79.05483	4.4
80.71484	0.5
81.03407	4.1
81.05867	0.5
81.07035	1.5
82.06546	0.4
83.04958	4.1
84.04475	0.8
84.08117	1.1
85.02905	0.9
86.09697	1.5
87.00690	0.9
89.03921	1.0
89.82718	0.5
91.05456	2.0
93.07024	0.7
95.04950	12.7
95.05517	1.0
96.08125	0.4
97.02847	0.9
98.09673	4.8
98.42473	0.6
98.97559	0.8
103.05444	5.5
105.03416	0.6
105.07021	1.1
107.04935	23.1
107.05663	1.2
108.08075	0.6
109.02870	2.1
110.03615	0.6
110.09682	1.3
111.00785	3.0
111.04406	1.0
115.03787	2.3
115.05429	1.2
116.01706	0.6
117.06999	1.2
118.01235	1.6
120.08091	1.1
121.02819	1.6
121.06468	1.8
122.09662	0.6
123.04407	73.2
124.05270	0.6
127.03896	7.7
128.06180	0.6
129.06970	1.0
130.04959	0.6
131.04906	21.8
131.08542	0.7
133.02798	0.6
135.04391	10.5
136.05183	2.6
137.02330	3.0
139.03859	3.2
141.06969	4.2
145.06441	1.9
147.04384	1.1
147.08084	0.6
149.02321	3.5
149.05959	9.5
149.07173	0.5
150.03130	1.9
151.03879	100.0
152.04674	5.3
153.05446	1.7
155.04941	0.9
156.10168	2.6
157.06418	1.2
158.07968	2.8
158.10799	0.6
159.04399	9.4
159.08020	1.2
163.03899	0.9
169.06450	4.2
173.05951	5.6
173.09509	0.8
175.07520	1.4
177.05414	7.2
177.06790	0.7
181.00468	0.5
187.03830	0.8
187.07567	2.2
191.06995	0.9
197.05960	8.0
201.05478	1.5
213.05505	0.6
215.03464	1.0
215.07008	6.5
215.10667	1.4
219.06561	2.7
225.05484	3.9
243.06490	8.1
261.04120	2.5
261.07556	49.3
261.10754	5.1
262.07953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1118
Annotation	4-Methoxy-3,3',5-trihydroxybibenzyl
Peak:m/z	Relative Intensity
51.02354	0.5
53.03934	2.5
55.01853	1.2
55.05492	0.9
55.35637	0.4
63.64148	0.4
67.05489	1.1
68.99760	1.0
69.03396	0.5
69.07063	0.9
70.06538	0.5
70.41813	0.8
70.42220	1.6
78.04676	0.5
78.62661	0.4
79.05481	3.8
81.03405	1.2
81.07038	1.6
83.04944	0.9
84.08101	0.7
86.09698	0.5
90.19614	0.4
91.04921	0.9
91.05464	12.1
93.06430	0.8
93.07021	16.2
95.04951	6.6
95.08576	1.0
100.09398	0.5
100.11208	0.6
103.05453	13.1
105.04494	1.4
105.07011	1.8
107.04934	39.7
107.08545	1.7
109.02859	1.2
109.06410	0.5
109.10165	0.6
111.04449	1.0
117.07039	0.7
119.08554	1.7
121.06480	100.0
122.06841	1.4
123.04423	2.7
125.06007	2.6
129.07022	0.8
131.04890	0.6
131.08493	1.1
132.84901	0.4
133.10109	0.6
135.04390	7.1
135.08080	0.5
135.11630	0.7
137.05907	0.5
139.03873	0.5
139.07471	0.7
141.06941	1.2
143.08554	1.0
145.06439	1.6
145.10109	0.9
147.08005	0.5
147.11612	0.6
149.13249	0.5
151.03867	1.1
152.04645	6.0
152.05769	0.7
153.05438	8.5
153.06943	1.5
154.05788	1.2
155.08514	3.0
157.06459	0.8
157.10118	0.7
159.04193	0.5
159.08063	1.7
159.11676	0.6
161.06018	0.5
161.09561	1.3
165.06989	5.1
167.07005	22.4
168.05678	1.0
168.07339	0.4
173.05928	0.8
173.09639	1.0
183.08015	8.8
185.05850	0.5
187.07588	0.7
193.06493	0.6
199.07713	0.5
201.05528	0.4
201.08966	2.0
211.07515	15.7
214.06189	0.6
215.10548	0.5
229.04910	1.3
229.08553	25.2
230.08919	0.7
243.10225	1.3
244.09618	1.2
261.03894	0.7
261.07077	0.5
261.11218	6.7
261.14914	1.8
261.18457	1.2
261.21854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26352	1.2
53.03924	2.4
55.01858	7.9
55.05246	1.4
55.05502	24.9
56.05016	5.2
57.07063	12.0
58.99574	20.2
59.18921	1.4
60.76615	1.3
61.01132	6.9
65.03914	2.3
67.05484	7.7
68.05007	2.7
69.03394	3.1
69.07051	10.3
70.02937	2.3
70.06582	7.2
71.04974	2.0
71.07970	2.6
73.01120	11.5
74.00647	10.1
74.02411	1.6
76.02206	6.0
76.03975	5.1
79.05477	13.8
81.07041	38.0
82.06559	3.0
83.08602	21.1
84.04489	12.9
84.08131	1.5
85.01108	10.0
85.04002	1.3
86.99025	9.5
87.02670	1.6
87.04441	2.1
88.02191	7.4
91.05458	11.0
93.07023	10.3
95.04943	5.3
95.08586	13.0
97.02873	1.6
97.06522	2.7
97.10136	2.1
98.09674	6.7
99.02657	9.1
100.11233	46.0
103.05472	1.6
105.07021	11.6
107.04938	1.7
107.08568	14.3
109.06467	3.2
109.10127	5.9
110.09562	1.4
112.03949	20.0
112.11220	15.7
113.04191	3.3
115.05785	16.4
116.01656	33.9
116.05298	25.3
117.06985	3.2
119.08569	6.9
121.06462	3.2
121.10111	7.4
121.54140	1.6
122.09647	5.0
123.04375	3.5
123.08061	2.7
123.11696	3.3
124.07595	1.7
124.11210	6.3
128.78728	1.3
129.06960	2.3
130.04965	16.6
131.04881	1.4
131.08554	6.5
133.10092	6.2
135.08066	2.4
135.11658	4.5
137.09465	1.5
137.13245	2.3
141.07283	20.5
143.08568	2.1
144.01134	4.9
145.06186	1.6
145.10106	5.2
147.11665	1.7
149.09546	1.7
149.13275	3.3
151.03865	2.8
155.08449	1.8
157.10135	3.4
158.09961	100.0
158.11729	58.6
159.07936	1.7
159.11678	6.6
161.09596	2.1
161.13191	2.8
162.02155	14.7
173.13232	3.7
177.16241	1.6
187.11172	1.8
187.14781	3.2
197.13229	1.6
201.16428	1.9
215.14308	2.8
215.18011	2.0
243.13812	2.9
243.17400	2.4
243.21053	1.8
244.09996	50.8
261.03888	2.1
261.07431	2.8
261.12628	62.6
261.15030	6.5
261.18307	6.8
261.22186	7.0
261.25537	3.7
271.33670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02346	0.7
53.03928	2.5
55.01836	0.8
55.05238	0.9
55.05503	13.1
57.03412	1.8
57.07069	4.7
58.87405	0.5
65.03918	1.8
67.05495	44.9
69.07059	14.0
70.27634	2.2
70.28055	1.2
71.04975	2.0
71.08598	2.0
72.65768	0.6
79.05482	59.9
79.78220	0.5
81.07044	51.0
82.07387	0.7
83.04943	1.3
83.08608	8.4
84.87035	0.6
85.06516	4.2
91.05466	30.9
91.37529	0.6
93.07030	74.4
94.07343	1.4
95.04958	5.1
95.08592	39.7
97.06514	3.8
97.10155	2.9
99.08089	3.7
105.04495	1.0
105.07016	20.0
107.08578	51.5
109.06499	1.7
109.10143	15.0
111.08081	4.3
111.08772	0.8
113.09602	1.0
115.05375	1.0
117.07019	8.7
119.08567	18.1
121.10127	44.7
122.10500	1.1
123.08051	1.4
123.11704	4.9
125.09586	1.5
131.08554	15.8
133.10112	13.3
135.11673	39.0
137.09607	2.3
137.13208	1.4
139.11177	1.2
145.10110	16.2
147.11650	12.4
149.09549	0.9
149.13232	30.6
151.03899	0.7
151.11137	1.5
151.14764	0.8
153.12714	0.9
159.11664	10.1
161.13232	15.2
163.14806	22.0
163.16190	1.2
164.15245	0.7
165.12750	1.6
173.13222	11.7
175.14799	4.5
177.16371	5.8
179.14253	1.5
185.13379	0.7
187.14774	6.5
189.16359	0.8
201.16373	4.1
205.15846	1.3
215.17949	1.9
217.19553	1.0
219.17497	0.8
233.22607	1.5
243.21051	34.8
244.21324	1.1
261.22104	100.0
262.22464	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.9
53.03928	3.6
55.01843	1.0
55.05502	16.9
57.07071	4.7
58.86062	0.7
60.60565	0.8
65.03922	2.3
67.05495	44.5
69.03416	0.7
69.07056	12.2
70.05462	2.9
70.05871	1.5
71.04980	1.7
73.40758	0.7
77.03875	0.8
79.05480	57.6
81.07043	45.6
83.04987	1.7
83.08607	8.0
85.06534	5.4
91.05464	31.5
93.07030	75.1
93.57355	0.8
94.07330	0.7
95.04963	5.8
95.08591	38.6
97.06512	4.6
97.10162	2.3
98.07839	0.8
99.08060	4.7
103.05444	1.3
105.04527	1.3
105.07011	22.0
107.08578	52.3
107.71023	0.8
109.06498	2.7
109.10138	16.1
111.08053	3.0
111.80016	0.8
111.80786	0.7
113.09625	1.2
117.06992	7.0
119.08558	15.9
121.10126	47.1
122.99980	0.8
123.08112	0.9
123.11692	5.7
125.09625	1.4
131.08548	14.7
133.10117	12.8
135.11668	32.3
137.09593	1.1
137.13200	2.4
145.10110	16.0
147.11649	11.0
149.09639	1.1
149.13226	28.1
151.03877	1.7
151.14836	0.9
159.11662	10.1
161.13240	11.6
163.11145	1.3
163.14795	18.9
165.12749	2.4
173.13234	10.7
175.14830	4.3
177.16365	5.7
179.14273	1.6
187.14822	8.1
191.14243	0.8
201.16368	2.3
204.24980	0.8
206.84972	0.8
215.17967	2.6
215.32899	1.0
221.10033	0.9
233.22610	1.6
243.21046	28.8
244.21336	1.0
261.22107	100.0
262.14392	0.9
262.22440	3.4
280.26505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03932	2.6
53.23380	0.4
55.01859	0.8
55.05502	12.7
57.03434	1.2
57.07067	4.6
61.48626	0.5
65.03927	1.2
67.05492	43.2
69.07054	12.1
69.46088	1.2
69.46494	4.1
71.04964	2.6
71.08617	1.4
77.03912	1.0
79.05479	58.6
80.05795	1.0
81.03421	0.6
81.07041	49.2
82.07388	0.6
83.04964	1.2
83.08611	7.5
85.06522	3.7
85.10184	0.8
89.03489	0.5
91.05011	0.5
91.05461	29.5
93.07027	77.5
94.07313	0.8
95.04960	6.3
95.08588	36.0
97.06497	3.3
97.10152	2.5
97.69173	0.5
98.20718	1.0
99.08076	3.2
100.86850	0.5
103.05455	0.6
104.06328	0.5
105.04478	1.5
105.07012	18.7
106.11567	0.5
106.13801	0.6
107.08572	47.1
107.68144	0.4
109.06499	2.2
109.10134	15.6
111.08073	2.8
113.09650	1.4
115.05460	0.5
117.06993	7.8
119.08557	17.6
119.09410	1.0
121.10120	41.3
122.10466	0.8
123.08053	1.4
123.11672	4.5
125.04068	0.5
125.09589	0.7
125.18472	0.5
128.06207	0.6
131.08540	12.7
133.10101	13.9
135.11665	36.7
136.11983	0.8
137.09579	1.7
137.13231	1.6
139.11182	0.8
145.10097	15.1
147.11658	12.5
149.09639	0.8
149.13226	29.8
151.11162	1.5
151.14742	0.5
153.12685	1.0
159.11679	10.4
161.13219	12.7
163.11128	0.7
163.14795	23.3
165.12706	2.1
167.14348	0.8
173.13229	10.0
175.14810	5.0
177.12790	0.6
177.16365	5.4
179.14268	1.9
187.14787	7.0
189.16293	0.7
201.16385	2.9
203.17943	0.8
205.15810	0.9
215.17944	1.4
217.19458	0.6
219.17348	0.6
229.23358	0.4
233.22517	1.2
243.21040	32.2
244.21432	0.8
261.22095	100.0
262.22498	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01847	1.4
55.05502	14.3
57.03418	1.0
57.07064	4.8
65.03921	1.8
67.05493	45.1
69.07059	12.5
70.94767	1.9
71.04963	2.9
71.08601	1.3
75.34452	0.7
79.05478	65.3
79.11041	0.8
80.05798	0.7
80.64906	0.7
81.07041	52.7
82.07381	0.9
83.04962	1.2
83.08604	6.8
85.06534	4.1
85.10161	0.9
88.47656	0.7
91.05466	32.4
91.06041	1.6
93.07028	83.5
95.04958	6.9
95.08590	37.8
95.09100	0.5
97.06507	4.0
97.10142	2.7
99.08098	3.9
102.92442	0.7
103.27841	0.7
105.04511	0.8
105.07009	20.3
105.07713	1.3
107.08573	52.3
109.06479	2.8
109.10133	17.0
111.08042	3.6
111.11662	0.7
113.09624	1.4
115.05386	0.7
117.07013	6.9
119.08568	14.7
121.10127	41.8
123.08031	1.5
123.11684	5.5
125.09579	1.0
131.08536	16.1
133.10095	14.4
135.11668	40.8
137.09583	2.2
137.13217	2.0
138.58490	0.7
139.11159	0.8
145.10089	14.0
147.10495	0.5
147.11650	12.3
147.57872	0.7
149.13229	28.5
151.11104	1.3
151.14830	1.5
159.11653	11.9
161.13231	13.3
163.14793	20.0
163.16154	1.0
165.12715	1.8
173.13229	11.0
175.14807	5.3
177.16347	6.2
179.14261	2.2
187.14789	9.5
201.16278	3.8
215.17892	2.3
217.19536	0.9
219.17447	1.6
233.22614	1.8
234.54398	0.8
243.21039	33.7
261.22101	100.0
262.22400	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02372	0.8
53.03920	2.3
53.60221	0.7
55.01863	0.9
55.05503	15.9
55.50325	0.6
57.07069	4.7
61.53420	0.6
65.03924	1.5
67.05495	49.5
69.07053	13.8
70.05150	3.8
71.04960	2.9
71.08611	1.4
79.05480	65.8
81.07042	60.3
83.08605	8.7
85.06535	3.2
91.05465	33.7
91.06039	1.4
93.07029	83.3
94.07350	0.8
95.04958	7.1
95.08591	43.0
97.06513	4.6
97.10152	3.4
98.21368	1.1
99.08061	4.0
105.04507	1.0
105.07018	21.8
107.08574	51.6
109.06490	2.3
109.10142	20.0
111.08055	3.7
113.09615	1.9
117.07004	6.8
119.08560	17.6
121.06518	1.2
121.10124	50.1
123.08052	2.0
123.11691	5.0
125.09598	1.4
129.07040	0.6
131.07654	1.2
131.08554	17.6
133.10104	15.7
134.59093	0.7
135.11667	36.9
136.32787	0.8
137.09566	2.6
137.13248	1.6
139.11157	0.9
143.08553	0.8
145.10095	19.2
147.11682	14.1
147.12848	1.0
149.13232	31.3
151.11171	1.4
151.14789	1.3
153.12700	1.0
159.11667	11.8
161.13234	14.2
163.14790	25.6
165.12799	1.8
166.39134	0.7
173.13232	12.6
175.14813	5.3
177.16367	6.3
187.14767	8.1
189.16295	0.7
201.16411	3.9
201.17950	0.7
203.17882	1.0
205.15932	0.8
215.17972	2.3
217.19589	0.9
219.17351	1.6
233.22559	1.6
243.21042	36.8
244.21399	1.3
261.22098	100.0
262.14270	3.5
262.22397	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	261.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
53.20626	0.8
55.01846	1.7
55.05502	14.1
57.03425	2.1
57.07067	5.4
65.03920	2.1
67.05490	46.2
69.03397	1.1
69.06683	1.1
69.07050	15.5
70.05470	4.8
71.04958	3.0
71.08607	2.1
79.05478	68.4
79.90048	0.8
81.07040	53.3
83.04954	0.9
83.08590	7.7
85.06506	4.5
91.05459	32.8
93.07026	95.1
94.07359	1.0
95.04944	6.8
95.08585	41.2
95.09196	2.1
97.06493	3.9
97.10133	3.4
99.08068	4.2
103.05419	1.6
104.60804	1.0
105.04495	0.9
105.07007	21.0
105.07707	1.3
107.08572	58.4
108.08926	0.8
109.06487	3.4
109.10134	18.5
111.08080	4.4
113.09608	1.9
113.16975	0.9
117.06992	7.3
119.08555	17.8
121.10123	47.7
123.08063	2.1
123.11674	5.6
131.08540	17.7
131.76634	0.9
133.10109	14.9
135.08067	0.8
135.11670	41.0
137.09587	1.4
137.13220	1.5
145.10100	17.9
147.11646	13.6
149.09558	1.0
149.13232	27.0
151.11171	1.5
159.11646	11.2
161.13203	13.0
163.11034	1.1
163.14778	20.8
165.12682	1.1
173.13228	13.4
175.14758	5.6
177.16362	7.0
179.14255	2.1
187.14769	7.9
201.16365	3.8
215.17902	2.8
217.19473	1.4
219.17351	1.7
233.22629	1.1
243.21033	31.3
261.22092	100.0
262.14282	3.1
262.22388	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	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41942	4.1
50.87563	3.7
55.96122	3.8
70.06937	10.7
70.07355	14.2
92.53759	3.9
97.02905	6.2
98.21354	6.5
101.00867	21.1
103.18138	4.4
113.00860	5.2
113.34039	4.0
119.01886	38.0
131.00177	6.4
131.01863	25.9
133.03445	13.3
137.02959	4.5
143.01872	30.4
145.03416	10.3
155.01894	13.4
161.02930	100.0
162.15350	4.3
173.02924	33.1
191.04016	19.7
203.03862	6.8
263.01602	15.5
263.06088	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16597	28.4
70.13068	54.1
70.13478	100.0
110.68549	24.9
119.01888	40.8
131.01869	44.3
133.03476	35.8
143.01897	38.9
161.02979	59.4
171.46600	32.6
173.02956	30.0
185.50826	32.3
263.01584	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
56.05024	3.0
56.96557	4.6
65.00973	0.4
67.05509	0.6
70.06591	0.5
71.69135	0.6
71.69492	0.4
74.06066	11.2
74.97607	0.6
79.09323	0.4
80.33988	0.4
81.07064	0.6
83.05004	0.4
84.04508	0.8
84.08127	0.9
85.02879	0.9
86.09695	0.7
87.49298	0.4
91.05470	0.7
97.02894	1.1
98.97562	0.7
101.00909	0.5
107.04986	0.7
116.98611	1.0
117.03664	0.5
119.01909	3.4
119.03514	4.9
119.04882	0.4
123.04408	0.8
126.91241	0.5
130.04965	0.5
131.01898	1.8
131.08440	0.5
133.06395	0.4
134.99655	0.8
135.04375	0.9
136.06158	12.5
137.02953	0.6
137.04561	2.2
137.05554	0.4
139.03914	1.1
140.40633	0.4
142.05101	0.6
143.01894	2.1
145.10092	0.4
147.04384	0.5
149.01175	0.5
150.99174	1.2
155.01843	0.7
161.01205	0.6
161.01497	0.7
161.02942	7.2
161.04388	0.7
161.04813	0.8
161.05957	0.6
162.04085	100.0
163.03806	2.5
169.00163	0.6
173.01506	0.4
173.02898	2.6
173.05618	0.4
174.07727	3.4
176.05568	1.1
184.04489	0.4
186.04475	0.4
189.05412	0.7
191.03958	1.5
191.06735	0.8
191.10349	5.0
202.07184	0.5
202.10715	0.9
203.03914	1.3
217.11981	0.5
219.06218	11.4
219.09843	1.4
222.04376	0.7
235.09285	0.6
240.05275	0.5
245.04405	0.6
263.05862	3.1
263.08789	33.0
264.08850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03920	1.7
55.05238	0.9
55.05500	17.2
57.03413	2.4
57.06843	0.9
57.07065	12.5
63.41876	1.0
64.31367	0.9
65.03913	2.3
65.67184	0.7
67.05492	89.7
69.07053	16.3
69.48045	6.8
69.48454	1.3
70.38950	0.7
71.04972	1.2
71.08615	8.5
79.05482	25.0
81.07040	100.0
83.04957	2.6
83.08607	14.7
85.06519	3.8
85.10155	4.5
91.05470	17.5
92.49671	0.9
93.07028	24.7
95.04938	1.4
95.08589	92.5
97.06511	9.5
97.10156	7.5
99.08084	5.7
105.04442	1.1
105.07013	12.5
107.08575	13.3
109.06503	1.6
109.10136	48.6
111.08059	6.6
111.11684	2.3
113.09621	4.4
119.07861	1.1
119.08570	14.5
121.10122	17.5
123.08038	2.4
123.11682	21.5
125.09652	1.2
127.11158	2.9
131.08510	1.4
133.10109	16.1
135.11673	10.7
137.09586	2.1
137.13240	9.4
141.12735	1.9
147.11664	11.8
149.13226	9.0
151.11121	2.1
151.14772	9.1
155.14291	1.2
161.13246	11.0
163.14789	8.1
165.16351	12.6
167.14304	0.9
175.14784	10.1
177.16405	1.0
179.17915	5.7
189.16394	4.2
193.15816	0.8
203.17950	1.9
207.17474	1.0
217.19461	1.9
245.22614	39.9
263.08279	2.8
263.14478	2.1
263.23657	75.8
264.23889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
66.92137	0.2
67.05489	0.8
70.06582	1.3
71.06907	0.4
71.68091	0.4
77.03915	0.5
78.45576	0.2
79.05482	0.9
81.03417	0.2
81.05776	0.9
81.07034	1.0
82.68593	0.2
84.08163	0.3
91.05457	0.4
94.06539	0.8
95.04957	1.4
96.08112	3.4
103.05424	0.3
105.03375	1.4
106.06567	0.3
108.04491	0.5
110.06036	0.3
116.07055	1.6
117.07413	0.3
120.08116	1.3
120.08931	0.2
121.08411	1.5
122.06016	0.3
123.04407	100.0
123.06755	2.3
124.04738	0.6
124.07568	32.8
136.07573	0.6
141.07765	0.7
142.08606	13.4
147.04344	0.5
147.51775	0.2
161.05965	0.4
175.07469	0.3
177.05511	0.2
190.08629	0.5
201.09065	0.4
218.08253	0.7
236.12749	0.6
246.11212	16.8
247.11578	0.3
264.12259	45.3
265.12521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.26826	5.8
53.03922	6.2
55.01871	6.6
55.05486	23.4
57.03436	7.7
65.03944	8.0
67.05496	40.3
69.03420	46.2
69.07051	15.1
70.06554	7.3
70.17662	6.2
71.04970	8.7
71.69598	11.5
72.08147	15.0
79.05471	26.8
81.03383	8.3
81.07030	30.6
83.04961	15.4
83.08572	6.7
89.03915	11.3
91.05451	76.2
93.03383	8.0
93.07035	59.1
95.04950	61.5
95.08578	28.0
97.06449	10.2
98.99089	6.7
100.07604	24.5
105.07014	86.5
107.08556	37.7
109.02846	8.6
109.06513	44.3
109.10161	14.5
111.04407	28.4
113.05976	12.2
116.06235	8.9
117.03333	18.3
117.07009	23.5
119.04954	11.8
119.08559	95.1
120.04451	18.1
120.08064	32.0
121.02859	14.7
121.06486	62.8
121.10082	21.1
123.04395	12.8
123.08041	25.5
128.06142	9.9
129.06961	23.7
130.07800	7.4
131.08517	49.9
133.06444	9.4
133.10071	24.1
135.08009	98.0
137.05931	7.6
137.09572	21.4
139.03885	21.4
139.07520	11.0
141.06972	13.3
142.07779	11.2
143.08539	28.2
144.09276	12.1
145.02847	46.4
145.06471	20.7
145.10075	37.1
147.04366	28.7
147.08017	58.0
147.11653	25.4
149.05933	16.4
149.09612	19.6
150.07735	9.4
151.07494	9.6
153.07068	10.0
156.09271	12.7
157.06454	8.1
157.10120	27.8
158.07242	24.0
159.08031	50.3
159.11624	38.8
161.05983	10.5
161.09558	53.9
161.13193	10.0
163.03886	17.2
163.07526	11.7
165.09100	33.1
166.04974	47.5
168.09430	10.6
171.11679	14.9
172.08772	16.3
173.09628	16.4
173.13216	25.3
175.07507	70.6
175.11188	36.4
177.05412	100.0
183.11678	22.2
185.09589	7.9
187.07593	7.7
187.11208	40.3
189.09062	17.7
189.12700	12.7
193.08574	23.5
199.11160	22.2
201.12686	34.3
203.10637	54.6
211.11110	21.7
217.12149	26.9
219.13708	15.7
229.12184	30.4
235.13112	7.2
247.10684	44.2
247.13286	49.2
265.11661	36.5
265.14554	43.2
265.25211	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1542
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.80919	0.4
55.05489	0.5
60.35628	0.6
69.03423	0.5
69.07039	0.6
70.06564	1.0
71.69048	0.4
71.69440	0.6
72.07766	0.6
72.08139	8.8
79.05480	0.8
81.07066	0.6
86.09677	0.8
89.01755	0.5
89.03904	5.4
89.10782	5.2
91.05448	1.2
93.07029	1.1
95.04939	0.6
98.06026	0.8
100.07597	0.7
103.05426	0.5
105.07005	1.2
115.05464	0.6
115.08660	1.4
117.03358	19.7
117.04191	1.0
119.08556	1.1
120.04413	0.5
120.08097	1.1
121.06459	1.2
122.07108	1.4
123.04402	0.8
127.11036	0.5
131.08505	0.6
135.04384	2.0
135.08012	0.6
139.03854	1.1
145.02824	55.9
147.04350	2.3
149.05959	8.1
159.08026	0.5
163.03935	1.0
166.04962	1.8
175.07635	0.7
177.05440	100.0
178.05795	1.6
186.05507	1.1
199.08632	0.6
201.05518	0.5
202.98357	0.5
215.05769	0.4
219.48213	0.4
247.10707	1.9
247.14398	0.7
248.10493	0.6
248.12813	7.3
265.11890	2.4
265.15424	17.6
265.24963	0.5
266.15970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Speciosin K
Peak:m/z	Relative Intensity
51.51509	1.4
53.03932	4.3
54.30869	1.5
55.01856	1.9
55.05261	2.2
55.05503	18.0
56.44437	1.5
57.03403	1.4
57.07054	6.3
59.60353	1.6
63.47387	1.6
67.05486	24.1
69.03416	14.0
69.07056	18.9
71.04980	8.1
79.05485	20.5
81.03405	4.3
81.07042	100.0
83.04967	4.8
83.08601	6.8
85.06517	5.4
91.05458	16.8
93.07027	29.7
94.06573	1.6
95.04958	15.3
95.08588	37.1
97.06515	11.4
97.10162	8.1
98.20725	3.2
99.04443	3.2
99.08062	3.9
101.02304	1.5
105.07011	41.9
107.04941	2.0
107.08574	38.1
109.06490	13.7
109.10145	24.6
111.04403	4.3
111.08051	3.4
111.11646	2.5
115.05463	2.6
117.07004	8.8
119.08563	39.6
121.06531	8.3
121.10128	27.2
122.07086	2.0
123.08074	7.6
123.11671	12.9
124.05168	2.1
125.05998	3.3
129.06984	5.7
130.07721	3.5
131.08551	19.3
133.06461	3.6
133.10103	18.4
135.08012	7.4
135.11632	9.3
137.05992	2.4
137.09569	3.7
137.13194	4.0
139.07510	4.8
139.11174	2.2
141.06895	2.6
143.08505	6.2
144.09346	3.0
145.06435	2.6
145.10100	36.8
147.08037	9.7
147.11635	11.3
149.05888	2.0
149.09599	20.1
149.13249	7.7
151.07504	4.7
151.11227	3.7
153.09058	2.7
155.08502	3.8
157.10146	8.2
159.07990	7.9
159.11655	36.6
160.08736	2.1
161.09622	9.1
161.12019	1.6
161.13200	7.7
163.11150	6.2
163.14720	2.8
165.09183	2.6
167.10649	6.0
169.10097	15.0
171.11618	3.6
173.05966	2.0
173.09601	12.0
173.13234	7.8
175.11205	4.8
175.14809	4.9
177.12767	3.2
181.10117	3.3
182.10945	2.8
183.11662	3.1
185.13203	5.8
187.11159	14.7
187.14778	19.6
191.10635	6.3
191.17924	3.7
196.12428	4.3
201.12691	4.2
201.16347	55.9
201.20432	2.0
203.14235	6.2
203.17827	2.0
205.08580	2.0
205.12144	3.7
205.15823	5.1
211.14796	15.8
219.13818	2.5
219.17439	12.7
223.14738	1.7
229.12189	2.9
229.15819	38.6
237.18422	3.2
247.13264	3.4
247.14099	2.7
247.16917	37.0
265.12061	2.5
265.17776	28.7
265.24551	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	266.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
70.91395	0.3
76.89957	0.1
82.99855	0.2
98.97571	0.3
101.00856	2.3
101.41991	0.1
116.98595	0.3
119.01900	11.3
120.01958	0.2
122.97778	0.2
134.99837	1.0
137.02942	3.7
140.98781	0.3
142.03508	0.4
153.00905	0.4
158.99834	1.3
165.99557	0.3
170.73058	0.1
175.03040	0.4
177.00926	23.9
178.01064	0.9
182.99756	0.7
193.04012	0.3
195.01945	0.5
200.02539	0.6
201.00883	1.4
201.02330	0.2
209.98964	0.2
217.04063	3.7
218.03667	0.3
219.01967	27.1
220.02057	1.4
221.01883	0.3
225.00830	2.5
237.02957	0.2
242.03523	0.7
243.01909	8.9
244.02065	0.2
260.04507	0.2
261.03015	100.0
262.03195	3.5
263.03302	0.3
266.03522	0.6
275.04776	0.3
284.04663	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	266.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47102	0.3
55.05503	0.5
57.03425	0.3
58.33980	0.3
59.04988	1.1
60.13802	0.3
61.02915	1.4
63.52789	0.3
69.33490	0.5
69.33894	3.2
71.04975	2.0
77.53120	0.3
79.05480	1.0
81.07053	2.9
94.04032	1.1
98.21431	0.5
105.07011	0.5
119.03534	2.0
133.06245	0.3
136.06171	100.0
137.04593	1.7
137.06567	0.7
145.02798	0.4
162.07755	0.4
177.05429	0.6
234.13470	18.4
266.16083	44.8
267.58279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.31627	0.7
53.03922	4.1
55.01862	1.9
55.05498	5.8
57.03157	1.1
57.03428	19.2
65.03916	0.8
67.05186	1.1
67.05493	11.5
69.03419	2.0
69.07041	3.2
71.04967	1.3
79.05481	12.6
80.71218	0.8
81.03404	100.0
81.07041	11.3
81.13027	0.9
82.03706	1.0
83.04951	4.7
83.08606	13.9
87.27934	0.8
88.50918	0.8
91.05468	16.9
93.07029	7.5
95.04957	19.7
95.08594	4.4
97.02863	2.8
97.06548	1.4
97.10112	1.0
105.07021	11.4
107.04958	4.0
107.08562	2.3
109.06491	2.8
109.10110	1.9
111.04388	1.6
111.08065	6.5
115.05440	1.0
117.06950	1.1
119.08558	9.9
121.06454	2.2
121.10107	3.8
129.06989	7.4
131.08549	6.8
133.06435	2.4
133.10107	4.7
136.06201	1.7
137.09523	0.9
142.07732	2.0
147.08022	1.7
147.11659	6.9
148.56215	0.9
149.09592	3.9
157.10112	9.9
163.11139	1.3
165.12779	1.9
175.11201	9.8
193.10493	1.4
193.12219	16.1
211.13235	2.6
213.12903	0.8
223.13136	0.9
249.14853	1.3
267.15854	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.35553	0.8
51.80719	1.0
53.03939	4.9
55.01859	1.3
55.05254	1.1
55.05504	6.9
57.03160	1.3
57.03429	20.9
57.07069	1.2
67.05492	12.8
69.03423	2.3
69.07047	3.1
69.61607	0.9
70.74256	0.9
71.04959	1.8
71.61489	1.0
71.61823	1.5
72.10213	1.1
79.05484	11.3
81.03407	100.0
81.07047	14.9
83.04977	5.8
83.08607	14.2
86.98385	0.8
91.05465	17.9
93.07043	8.9
93.85115	0.9
95.04955	22.2
95.08579	6.7
96.83672	0.9
97.02838	1.5
97.06506	2.3
98.98450	1.3
99.08055	0.9
105.07018	14.6
107.04927	5.2
107.08569	3.7
109.06481	3.2
109.08183	0.9
109.10107	1.8
111.08064	5.1
119.04897	0.9
119.08568	11.7
121.06459	0.9
121.10138	5.6
123.11701	1.3
125.09653	1.1
128.15245	1.2
129.06981	8.7
131.08539	7.6
133.06471	3.3
133.10109	4.6
136.06151	2.0
137.09657	1.2
142.07727	2.9
147.08015	3.5
147.11678	9.5
149.09570	2.8
157.10104	9.6
165.12689	3.0
175.11153	9.5
193.12225	18.1
193.99861	1.0
196.00746	0.9
210.08583	0.8
211.13286	2.8
225.22003	0.8
234.31683	1.0
249.14850	1.5
267.15878	46.6
287.50433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1585
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
53.03932	3.4
55.01855	2.3
55.05504	5.5
55.59309	0.7
56.94328	0.7
57.03429	20.8
61.59785	0.6
62.91974	0.7
67.05496	12.9
69.03420	2.5
69.07060	3.7
70.76015	2.0
71.04996	1.7
79.05483	12.7
81.03406	100.0
81.07045	13.7
83.04967	5.1
83.08608	15.0
85.06526	1.2
89.86466	0.6
91.05470	17.9
93.07035	8.4
95.04956	21.4
95.08596	5.3
97.02888	1.4
97.06516	2.1
97.10139	1.7
105.07018	15.7
107.04935	4.9
107.08578	3.3
109.06491	3.5
109.10143	2.7
111.08051	6.2
115.05444	1.3
117.07007	1.5
119.08566	11.6
121.06470	2.5
121.10121	4.6
123.08044	1.9
128.06268	0.9
129.06979	6.8
131.08549	8.4
133.06459	2.2
133.10117	3.7
137.09578	2.1
141.06963	0.8
142.07750	3.3
142.17421	0.6
142.88753	0.7
145.10072	0.8
147.08046	3.0
147.11668	6.4
149.09589	4.1
157.10107	9.8
163.11121	1.3
165.12704	2.2
175.11183	7.4
193.12224	15.6
206.10925	0.7
211.13217	2.6
237.52287	0.7
245.28519	0.6
249.14703	0.9
267.15829	36.8
285.10156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
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
51.02385	0.6
53.03932	3.9
55.01860	2.6
55.05509	10.4
56.96571	0.8
57.03428	21.5
58.89465	0.6
65.03922	1.0
67.05497	18.0
69.03410	2.4
69.07059	5.9
69.32504	0.9
71.04971	2.0
71.70324	0.9
76.50391	0.7
79.05483	17.3
81.03403	100.0
81.07042	21.0
83.04967	9.0
83.08608	17.4
85.02907	1.1
85.06522	1.7
87.12789	0.6
91.05466	24.7
93.07026	11.8
95.04952	22.7
95.08577	7.0
97.02874	1.6
97.06521	2.2
97.10133	2.0
99.08129	0.7
103.05421	0.9
105.07008	17.7
107.04927	6.8
107.08550	4.6
109.06505	5.2
109.10117	2.7
111.04417	1.2
111.08074	6.1
115.05416	1.2
117.07018	1.5
119.04848	0.9
119.08563	15.8
121.06464	2.9
121.10131	4.8
123.04386	1.0
123.08026	2.3
123.11704	1.5
125.09601	1.0
128.06172	1.1
129.06990	10.1
129.20937	0.7
131.08527	9.2
132.47470	0.7
133.06480	3.2
133.10110	7.6
135.08076	1.1
136.06100	1.6
137.09598	1.3
142.07758	2.7
143.08598	1.0
145.10077	2.6
147.08002	3.0
147.11659	10.7
149.09584	5.0
157.10114	10.2
163.11177	1.0
165.12737	2.5
175.11156	11.6
177.05519	0.8
183.11775	1.0
193.12202	18.4
211.13185	2.1
224.08319	1.6
249.14743	2.3
255.32445	0.7
267.09802	2.8
267.15848	44.5
267.20663	1.6
285.09991	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	268.1037
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01847	0.4
57.03413	0.4
58.28779	0.2
69.03400	0.4
70.24944	0.7
70.25352	0.3
85.02866	0.3
94.04050	0.4
98.21350	0.3
105.17047	0.2
119.03527	1.1
130.87999	0.2
136.06163	100.0
137.04565	0.7
137.06606	1.2
268.10373	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	269.0803
Annotation	Dalbergin
Peak:m/z	Relative Intensity
54.77366	0.5
55.01860	0.6
55.05504	4.0
55.38771	0.6
57.03417	0.9
57.07045	2.3
58.02937	1.5
58.06573	0.8
60.04497	0.9
67.05482	2.9
68.05020	0.8
68.99754	1.4
69.07054	3.8
69.07363	0.6
70.06583	0.7
70.73573	1.9
71.08610	1.2
79.05470	2.5
81.07047	4.1
82.06550	1.1
83.04939	2.0
83.08575	3.0
86.06054	1.1
89.04613	0.5
89.79025	0.6
91.05467	0.9
93.06998	2.8
95.08573	2.1
97.06505	1.0
97.10130	1.5
105.06981	0.7
107.08582	1.3
109.10131	1.0
111.11701	0.7
118.04136	0.9
121.10115	1.7
133.06474	2.5
135.11629	0.9
140.06111	0.7
141.06966	1.2
142.04121	2.8
149.13168	0.8
152.06204	4.0
153.06960	2.6
154.07681	1.0
155.04889	0.7
157.06430	3.7
158.07207	1.5
159.11699	0.7
161.05922	1.2
165.07028	3.3
166.04105	0.8
166.07704	0.7
168.05656	0.8
169.06458	1.5
170.07245	2.2
171.08014	3.3
175.07521	8.0
177.09026	0.9
180.05685	1.1
181.06456	4.6
182.07222	5.0
183.04395	2.5
183.07979	2.3
184.05054	1.1
185.05907	50.9
186.06390	0.6
194.03607	0.9
195.08037	4.6
197.05927	1.5
198.06735	17.0
199.07552	3.0
209.05896	8.1
210.06767	1.7
211.03807	0.9
211.07552	4.4
213.09064	1.3
222.03047	6.3
223.07466	5.9
226.06203	24.0
237.05421	30.3
238.05807	0.7
239.03351	1.5
240.07738	2.5
240.26820	1.4
241.08553	48.4
241.27179	1.7
242.08856	1.6
251.23546	1.3
252.24081	2.1
254.05666	1.8
255.06410	0.8
268.26312	10.5
269.08044	100.0
269.26620	12.0
270.08496	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0804
Annotation	Dalbergin
Peak:m/z	Relative Intensity
50.64046	0.3
51.55537	0.2
55.05483	0.3
57.03413	0.6
67.05493	1.5
68.99784	1.3
69.07037	0.6
69.19746	0.3
69.87460	1.6
73.02161	0.3
79.05457	1.1
81.07042	2.5
83.08597	0.5
91.05442	0.6
93.07006	1.2
95.08578	0.6
97.06469	0.3
98.20779	0.6
107.08588	0.7
117.07007	0.5
119.52930	0.3
121.10163	0.3
128.06219	0.5
131.08530	0.4
149.13191	0.7
152.06201	0.4
155.04964	0.5
157.06334	0.3
158.07254	0.9
165.07059	0.5
169.06410	0.5
170.07173	0.5
173.09601	0.3
174.84624	0.3
175.07509	0.6
183.04366	6.0
185.05939	33.9
186.06383	0.3
195.07985	0.6
198.06702	3.4
199.07475	0.8
209.06075	0.6
211.03842	3.7
223.07518	0.6
226.06204	100.0
227.06549	1.9
237.05524	0.6
241.08551	93.8
242.08928	1.9
254.05763	0.4
266.07782	0.3
269.08041	66.8
270.08301	1.8
288.92926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.117
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.10307	0.2
55.05484	0.4
55.49453	0.2
57.03391	0.3
67.05482	0.9
69.07040	0.3
69.93947	1.8
71.36227	0.3
75.65745	0.3
79.05470	0.4
81.07018	0.9
87.45049	0.2
93.06999	0.6
95.08566	0.4
98.21370	0.4
107.08582	0.6
113.10358	0.3
138.29008	0.2
139.05432	0.5
149.13177	0.5
153.06943	0.5
159.11670	0.3
165.06978	1.7
166.07787	2.1
168.05600	0.5
169.06483	0.3
176.06160	0.5
177.06961	1.4
178.07721	2.4
179.08501	1.0
180.05569	0.4
181.06459	0.6
183.08008	3.9
192.05624	0.7
193.06479	1.0
194.07219	7.0
195.08020	12.6
196.05077	0.3
196.08540	0.4
198.06728	0.7
201.40947	0.3
205.06500	0.5
206.07164	1.4
207.04359	0.8
207.08026	0.5
208.08780	0.7
209.05911	0.5
209.09583	4.0
210.06747	0.6
211.07500	21.6
212.07892	0.5
219.08005	0.3
222.06711	5.7
223.07501	16.2
224.08208	1.5
225.09000	1.3
226.06244	1.1
226.09825	2.4
235.07648	0.4
236.08315	0.4
237.09135	1.5
238.09840	37.3
239.06993	18.5
239.10490	1.0
240.07401	0.4
241.08572	1.0
253.08530	0.4
254.09338	42.6
255.09775	1.2
268.31955	0.3
269.11673	100.0
270.12076	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1171
Annotation	3,4,6-Trimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.69654	0.3
54.43619	0.2
55.05470	0.4
56.38481	0.2
57.03431	0.6
57.07078	0.2
63.28665	0.2
67.05495	1.4
69.07049	0.6
69.80393	0.8
69.80824	1.1
79.05500	1.2
81.07051	2.0
83.08603	0.3
91.05453	0.4
91.26926	0.2
93.07020	1.0
95.04928	0.3
95.08588	0.3
97.06512	0.4
101.60459	0.3
107.08574	0.7
131.08516	0.4
131.89951	0.2
133.10138	0.3
134.64674	0.3
149.13229	0.8
152.06171	0.4
153.06982	0.6
165.06992	2.0
166.07777	2.2
168.05666	0.8
169.06430	0.4
176.06120	0.3
177.06964	1.9
178.07767	2.6
179.08542	1.0
181.06499	0.4
183.04411	1.0
183.08031	4.0
185.05954	4.2
192.05621	0.4
193.06407	1.1
194.07237	7.7
195.08028	13.3
196.05185	0.6
196.08546	0.5
196.71956	0.3
197.09644	0.3
198.06721	1.0
205.06348	0.4
206.07263	1.4
207.04356	0.6
207.08012	0.5
208.08781	0.9
208.56702	0.3
209.05959	0.4
209.09587	3.8
210.06725	0.3
211.04037	0.9
211.07515	22.3
212.07848	0.4
219.08133	0.4
221.05936	0.5
222.06746	6.2
223.07509	17.0
224.08157	1.4
225.09143	1.5
226.06216	15.2
226.09550	2.3
227.06569	0.5
235.07576	0.3
236.08171	0.6
237.09178	1.3
238.09850	37.5
239.06995	20.3
239.10184	1.0
240.07343	0.5
241.08568	11.9
242.09026	0.4
253.08495	0.4
254.09348	43.3
255.09778	1.5
269.08224	8.6
269.11673	100.0
270.08920	0.5
270.12042	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03918	3.4
55.01845	3.7
55.05506	19.3
57.03425	30.1
57.07040	5.1
65.03928	2.6
67.05493	72.3
67.63760	1.1
69.07052	27.9
71.04979	5.3
71.08571	1.5
73.02899	1.4
79.05482	45.2
81.03376	2.5
81.07042	100.0
83.04969	9.2
83.08158	1.6
83.08604	17.3
85.06525	6.0
91.05466	22.9
93.07029	61.0
95.04929	5.2
95.08593	22.6
97.06518	12.3
97.10155	1.9
98.21084	9.4
99.08066	3.2
103.02443	1.1
105.07020	8.9
107.08575	34.3
109.06475	3.7
109.10110	4.5
111.08105	7.6
113.09583	1.3
117.06998	9.3
119.08528	3.7
121.06458	1.9
121.10128	17.9
123.08067	1.3
123.11671	6.1
131.08534	9.6
133.10098	12.5
135.11681	11.0
139.11134	1.3
145.10080	1.1
147.11705	1.4
149.09671	1.2
149.13229	42.2
151.11110	2.1
157.10132	1.2
159.11661	17.5
159.89035	1.2
163.33482	1.1
167.14209	1.7
175.07483	1.3
177.12785	7.3
185.05792	2.1
195.11981	1.8
195.13751	13.5
198.06789	1.7
198.29568	1.2
201.34747	1.0
210.06667	1.6
211.07458	1.5
213.14813	1.3
215.17975	1.2
226.06181	6.8
238.09778	1.4
239.06914	1.5
241.08528	6.7
254.09271	2.3
263.34247	1.1
269.08295	8.0
269.11609	11.3
269.17404	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.61690	0.9
53.03912	3.4
55.01851	2.1
55.05500	19.7
57.03424	31.2
57.07059	4.7
65.03911	1.7
67.05488	72.0
69.03383	1.3
69.07052	28.6
69.60589	9.2
71.04971	6.0
72.65251	0.9
79.05475	45.1
80.05764	1.3
81.03369	2.9
81.07037	100.0
82.07320	1.2
82.79000	0.9
83.04963	9.8
83.08601	15.9
85.02851	1.6
85.06528	6.3
91.05453	29.6
93.07021	64.4
95.04952	5.9
95.08584	25.4
97.05962	1.4
97.06507	15.6
97.10129	2.5
99.08017	3.8
103.05395	2.1
104.90642	1.1
105.04430	1.4
105.06998	10.7
107.04904	1.6
107.08568	34.6
109.06481	5.0
109.10137	6.3
111.08078	8.7
113.05888	1.2
113.09542	1.5
117.06301	1.1
117.06997	13.5
119.08504	4.2
121.06490	8.6
121.09293	1.2
121.10110	19.3
123.11671	8.6
129.06898	1.8
131.08546	11.8
133.10094	12.9
135.11658	13.5
139.11115	2.3
143.08461	2.5
145.09999	3.0
147.11584	3.5
149.13222	44.7
150.13586	1.0
151.11035	1.6
153.09001	1.1
157.10013	1.7
159.11652	20.0
161.05965	5.1
161.13097	1.4
167.14233	1.4
169.09929	1.5
171.07797	1.0
171.11604	1.4
173.13153	2.1
175.07468	2.1
177.12729	8.3
185.05833	2.9
195.13763	10.4
198.06601	1.2
209.09465	1.2
209.13091	1.4
214.12137	1.3
226.06171	7.0
237.05270	1.4
241.08490	6.9
251.17741	1.3
269.08121	8.8
269.12256	4.3
269.17252	35.8
269.22394	4.6
270.17633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03933	3.4
55.01854	3.8
55.05502	22.2
57.03426	36.1
57.07063	8.3
65.03919	3.6
67.05492	81.7
67.41668	1.9
69.07052	33.7
69.45094	18.1
71.04969	7.3
71.08635	5.4
73.02851	2.1
79.05481	44.4
81.07045	100.0
83.04964	9.1
83.08598	23.1
85.06528	4.3
91.05470	21.9
93.07028	72.9
95.04950	7.6
95.08591	29.5
97.06487	15.5
97.10207	2.6
99.08096	3.6
102.57868	2.1
105.07014	6.6
107.08575	38.9
111.08073	8.8
117.07033	10.5
119.08556	2.8
121.10126	25.6
123.11695	2.9
131.08537	7.3
133.10109	6.0
135.11714	11.5
139.11142	2.6
149.13231	56.4
158.15448	3.7
159.11670	21.4
165.12715	2.3
177.12666	11.6
189.80840	2.0
195.13818	12.6
241.82458	2.3
269.07944	2.5
269.17435	40.9
270.27829	11.2
290.10538	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1741
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03916	3.5
55.01866	4.1
55.05270	1.9
55.05504	22.1
57.03426	38.0
57.07054	5.5
65.03932	3.1
67.05492	73.5
68.54243	1.3
69.07056	34.3
70.81824	1.9
70.82174	3.0
71.04983	9.7
77.03917	1.4
78.75052	1.4
79.05479	41.8
81.07041	100.0
83.04939	8.9
83.08598	16.7
85.06525	5.0
91.05462	21.7
93.07024	73.2
95.04941	5.1
95.08578	26.8
97.06513	13.3
97.10156	2.1
99.08051	5.0
105.07027	9.4
105.75179	1.3
107.08572	37.9
109.06531	2.2
109.10109	4.3
111.08062	7.6
117.06998	8.7
119.08532	4.3
121.06466	3.2
121.10119	21.2
123.11687	3.9
131.08568	9.5
133.10112	9.3
135.08041	2.1
135.11707	7.9
139.11201	1.9
143.08527	1.6
147.11595	1.9
149.13234	47.5
150.13580	1.7
151.11183	2.6
157.10178	1.5
159.11664	18.5
162.12686	1.4
177.12701	10.0
195.13838	10.5
198.29317	1.5
199.14754	2.0
251.20067	1.7
269.07983	2.5
269.17374	34.7
269.22562	4.6
273.76389	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	269.1742
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
52.03282	1.4
53.03936	2.4
55.01874	2.5
55.05501	22.4
57.03429	31.5
57.07059	5.7
67.05495	69.4
68.27351	1.5
69.03403	1.4
69.07065	27.2
69.44891	3.5
69.45303	10.8
71.04975	4.7
71.08609	1.6
74.06013	1.2
79.05017	2.5
79.05483	45.2
81.03395	2.9
81.07046	100.0
83.04978	9.3
83.08611	16.7
85.06531	4.3
91.05473	21.9
93.07034	66.4
95.04947	6.9
95.08592	29.5
97.06526	14.3
97.10128	2.4
99.08039	3.9
105.07005	16.0
107.04958	1.4
107.08577	36.3
109.06493	2.6
109.10146	7.3
111.08049	9.8
114.50723	1.3
117.07028	9.4
119.08526	7.3
121.06479	1.3
121.10132	23.1
122.97381	1.4
123.11676	5.9
131.08548	11.8
133.10127	13.2
135.08070	2.4
135.11674	11.6
139.11150	3.0
143.08524	4.2
145.10123	5.7
147.11595	3.2
149.13240	44.3
157.10085	6.9
159.11696	22.4
161.13258	1.6
167.45770	1.4
169.10112	1.7
171.11641	4.3
173.13216	4.2
177.12735	9.8
185.05942	1.6
185.13164	3.1
195.13805	11.2
198.06644	1.6
199.14743	1.6
213.16365	4.4
226.06285	8.3
227.17960	2.5
241.08562	9.2
241.19315	1.7
269.08054	6.4
269.11435	2.9
269.17233	26.5
269.22504	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88175	1.4
53.03928	2.1
55.01855	6.4
55.05508	13.4
55.96914	1.2
57.03199	1.3
57.03430	15.9
57.07053	3.0
65.03928	1.9
67.05498	44.9
69.03420	1.7
69.07058	15.2
70.59475	3.0
70.59852	4.8
71.04987	3.3
75.51861	1.3
76.22750	1.3
79.05482	22.9
81.03400	2.3
81.07042	55.4
83.04977	5.1
83.08605	13.9
85.06526	2.5
88.20770	1.5
91.05476	17.6
93.07035	37.4
95.04942	5.2
95.08596	14.9
97.06520	6.2
97.10167	2.1
99.08076	1.7
104.09694	1.4
105.07043	7.0
107.08572	20.9
109.10117	3.0
111.08033	4.8
117.07006	6.1
119.08566	3.4
121.06503	2.5
121.10133	14.6
123.11678	4.2
131.08556	6.2
133.10121	5.6
135.08014	1.9
135.11649	5.9
140.06218	1.7
141.06950	3.5
142.07762	1.8
149.09592	4.1
149.13243	18.7
151.11227	1.6
152.06189	4.9
153.06973	4.5
157.06407	1.4
159.11699	10.2
163.82301	1.6
165.07022	1.6
168.05667	7.1
169.06497	4.9
170.07266	5.4
172.05162	4.7
177.12686	4.7
180.05754	1.6
181.06456	5.1
182.07220	2.2
183.04428	5.3
183.08038	2.0
185.05952	13.1
195.08020	5.5
195.12085	1.5
195.13737	8.5
196.05190	1.5
197.06038	1.7
198.06743	48.2
199.07382	5.5
202.06238	4.0
209.06020	4.1
211.03812	2.5
211.07535	6.8
211.14752	2.3
213.08926	1.7
218.63039	1.5
223.07579	12.1
226.06230	46.3
227.06691	2.5
237.05461	20.6
238.06004	1.9
238.09882	3.4
241.08569	64.2
242.09003	2.8
254.05727	3.1
254.09319	3.3
255.06551	5.2
269.08078	100.0
269.11642	13.2
269.17328	18.6
269.21936	1.7
270.08395	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	4.1
55.01859	3.3
55.05500	22.8
57.03164	1.6
57.03425	24.0
57.07055	2.8
59.29666	1.6
65.03919	2.2
67.05492	81.4
69.03405	3.9
69.07057	31.0
70.98093	4.1
71.04974	5.2
71.08598	1.8
77.03882	1.6
79.05481	46.8
81.03384	2.0
81.07040	100.0
82.07376	1.7
83.04972	7.3
83.08608	18.6
85.02844	2.1
85.06520	5.0
91.05459	31.4
93.07026	65.9
95.04964	10.7
95.08590	27.4
97.06512	15.4
97.10168	2.3
99.08070	4.4
105.07012	17.8
107.08567	31.5
109.06483	5.3
109.10124	12.3
111.08063	8.8
117.06990	14.2
119.08561	6.7
121.06472	3.0
121.10137	13.4
123.08038	2.4
123.11660	6.4
129.06960	1.9
131.08566	14.8
133.10110	16.3
135.08046	4.0
135.11662	14.2
137.09650	3.1
139.07631	2.1
139.11128	2.6
141.06920	2.5
142.07724	1.9
143.08632	1.7
143.42288	1.5
145.10109	5.4
147.11624	3.3
149.13242	32.0
151.11150	6.2
155.08539	1.9
157.10081	4.1
159.11671	26.4
165.09073	1.8
169.10114	3.9
171.11658	2.3
173.09659	1.7
173.13242	4.2
177.12741	11.5
181.10092	3.2
183.11688	3.5
185.13179	3.3
187.14943	1.4
194.10922	1.5
195.11771	3.1
195.13768	10.0
199.14764	3.2
209.13246	6.1
210.02090	1.7
213.12735	1.5
221.13193	1.5
223.14752	2.3
225.16397	3.4
227.14301	2.3
241.19429	2.6
251.18124	3.6
269.13135	2.7
269.17096	37.2
270.17899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	2.7
55.01865	3.6
55.05500	21.9
57.03425	34.6
57.07065	3.7
65.03928	2.0
67.05491	74.5
69.03415	1.2
69.07055	31.7
71.01334	0.7
71.04976	6.3
71.08607	0.9
71.68094	0.7
71.74146	0.4
73.02898	1.0
77.03918	0.8
79.05477	43.9
81.03407	2.2
81.07039	100.0
82.07382	1.1
83.04963	10.2
83.08603	18.4
85.06531	6.1
86.06060	0.4
91.05463	26.3
92.05750	0.7
92.27548	0.5
93.07024	71.5
94.07355	0.9
95.04959	7.3
95.08589	28.8
97.06510	15.8
97.10165	2.2
99.04413	0.7
99.08060	4.3
103.05452	2.2
105.04499	0.8
105.07006	14.7
107.04953	1.4
107.08572	38.6
109.06495	3.9
109.10146	6.4
111.04438	0.8
111.08057	9.0
111.08812	0.6
111.10300	0.5
111.11682	1.2
113.06012	1.0
113.09614	1.9
115.05394	1.1
116.06097	0.5
117.06995	10.1
119.04916	0.6
119.06060	0.6
119.08565	5.8
121.02857	1.4
121.06480	9.8
121.10122	24.0
122.06824	0.4
123.04406	0.6
123.08025	1.2
123.11700	3.7
125.06076	0.6
125.09602	1.2
127.07553	0.5
129.07002	1.6
131.04977	0.5
131.08551	11.2
132.08852	0.5
133.06456	1.7
133.10103	11.3
135.04375	1.8
135.08032	9.1
135.11665	10.0
139.07501	0.7
139.11154	2.3
142.07719	1.3
143.08554	2.6
145.10089	4.4
147.04396	1.3
147.07997	0.5
147.11681	3.2
149.09589	1.4
149.13226	45.7
150.13560	1.1
151.07552	0.5
151.11140	1.4
153.09045	0.5
155.08420	0.4
156.09317	0.9
157.06380	0.5
157.10124	4.9
159.08017	1.2
159.11664	22.5
161.05942	10.5
161.13188	2.2
162.11978	0.4
164.29591	0.5
165.12636	0.5
167.08566	0.6
167.14297	1.2
169.10066	0.6
171.11642	3.1
172.12410	0.6
173.13214	1.8
175.07504	2.4
175.14777	1.0
177.11302	0.8
177.12708	8.7
183.11592	0.7
185.05948	2.2
185.13235	2.8
187.14732	0.5
195.11800	0.9
195.13757	11.4
198.06573	0.6
199.14777	3.2
200.15349	0.6
209.13142	0.9
211.14793	0.6
213.12680	0.6
213.14572	0.8
213.14911	0.5
213.16425	2.9
215.10649	0.5
226.06186	5.1
227.17796	1.0
241.08531	6.4
251.10666	0.4
251.17906	0.8
251.20123	0.5
261.33286	0.5
269.08096	3.9
269.11594	4.5
269.17365	32.1
269.22427	13.6
270.08386	0.9
270.11176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01860	1.8
65.03935	3.4
67.01854	1.2
67.05482	1.1
68.99782	9.1
69.03413	0.9
70.06578	1.4
70.52283	1.3
70.52642	1.5
72.08137	2.1
76.20739	0.6
81.03420	0.9
81.07055	0.8
89.03895	0.7
89.64918	0.5
91.05467	11.6
93.07011	0.7
95.01306	1.3
95.04964	0.6
95.08610	0.7
103.05457	0.9
105.07028	0.6
107.04932	5.7
109.06562	0.6
109.10107	0.8
111.00798	1.4
111.04444	0.8
115.05445	2.6
117.07015	1.6
119.04937	5.2
119.08521	0.8
121.01963	0.8
121.02852	16.2
128.06221	1.4
129.07004	1.1
131.04915	5.2
131.08524	1.7
133.02797	0.6
137.02406	0.7
141.06985	9.2
144.05663	1.7
145.02817	2.7
145.06503	3.6
147.04404	3.5
147.08064	3.5
149.02325	90.2
149.09631	0.7
150.02936	0.9
152.06180	1.6
153.01805	20.6
153.06990	1.8
155.04872	1.1
157.06483	3.0
159.04385	4.3
159.07996	2.4
165.01805	1.0
165.06969	1.0
167.03345	1.0
169.06479	12.2
173.05945	4.1
181.06404	2.8
183.04390	1.5
185.05954	2.0
187.03888	2.9
187.07536	3.4
197.05954	15.8
198.06711	0.6
199.07494	1.1
199.14847	0.6
199.86314	0.6
200.04837	0.6
201.05447	1.8
203.07076	1.1
213.05467	1.6
215.07004	100.0
216.07376	1.7
225.05376	3.4
227.07037	0.9
229.04936	1.8
240.11386	0.9
243.06509	77.6
244.06795	1.4
248.74164	0.6
253.04982	4.0
271.05988	82.2
272.06262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.88794	0.3
55.01860	0.8
55.05501	1.1
57.03444	0.5
57.07064	0.4
59.04968	0.5
63.02444	0.4
63.04065	0.4
65.03931	0.5
67.05494	2.6
68.99779	0.8
69.07043	1.2
71.08621	0.4
71.09850	1.0
79.05479	1.8
81.03403	1.9
81.07059	2.7
83.08611	0.5
91.05480	2.8
93.07034	2.9
95.04960	3.0
95.08578	1.9
105.06995	2.8
107.08598	1.4
108.18478	0.4
109.06490	0.6
109.10131	1.5
117.07013	0.9
119.08533	1.9
121.06498	1.2
121.10133	1.3
128.06172	0.7
129.06958	1.1
131.08540	1.4
133.10110	1.7
141.06952	1.2
142.07756	0.8
143.08531	1.2
145.06458	0.6
145.10114	1.9
147.07980	0.5
147.11673	1.6
153.06956	1.7
154.07776	0.6
155.08530	1.3
157.06468	2.0
157.10130	3.2
159.08093	0.6
159.11618	2.0
161.09767	0.4
165.06973	3.5
167.08574	0.5
168.05692	1.9
168.56224	0.4
169.06465	2.0
169.10115	0.8
171.08002	0.7
171.11583	0.7
173.05943	0.6
173.09642	0.4
173.13297	0.8
175.11079	0.6
181.06471	4.2
182.07195	2.4
183.08063	2.2
183.11693	0.9
185.05931	3.7
193.06427	0.7
194.07285	0.5
195.08092	0.7
196.05173	5.3
197.05957	9.6
197.09511	0.6
197.13199	1.2
198.06781	1.3
199.03815	0.5
199.07549	0.9
200.08328	2.2
201.16397	0.5
209.05984	0.5
210.06728	5.9
211.07509	13.2
211.14742	0.8
211.30090	0.4
212.08302	8.3
212.90265	0.4
213.05437	14.4
213.08990	1.4
215.06964	0.6
215.17998	0.5
222.06725	1.8
223.03860	1.3
224.04659	3.2
225.05437	2.1
225.09131	3.2
225.12688	1.3
227.06995	2.5
228.07745	9.7
229.05049	0.8
234.30983	0.4
238.06242	3.8
239.07002	5.8
240.07794	11.3
241.04944	7.6
241.07545	0.5
241.08354	0.4
242.05597	0.5
243.06467	0.9
243.10138	10.8
253.08658	0.9
253.19492	4.0
256.07278	32.8
257.07776	1.8
271.06192	5.3
271.09610	100.0
271.20523	3.5
271.24103	0.9
272.10052	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01851	0.9
55.05496	0.9
57.03399	0.5
67.05489	2.7
68.99770	1.8
69.07062	1.0
69.67928	0.7
69.68333	2.8
75.09055	0.4
79.05457	1.4
81.03397	1.8
81.07046	2.7
83.08598	0.4
84.35030	0.5
85.02884	4.2
91.05471	2.1
93.07022	1.9
95.04962	1.3
95.08607	2.5
105.07005	2.0
107.08556	1.3
109.10126	1.6
115.05456	0.5
117.06980	0.6
118.54429	0.4
119.08560	1.5
121.06474	0.5
121.10115	1.5
128.06224	1.3
129.06987	1.3
131.08537	1.6
133.10118	1.7
140.06190	0.9
141.06943	1.2
142.07722	0.7
143.04886	0.6
143.08548	1.8
144.05627	0.9
145.06438	0.8
145.10075	1.6
147.11649	1.1
152.06166	1.7
153.06978	1.7
155.08531	1.0
157.06429	0.6
157.10121	3.3
158.07216	0.7
159.08031	6.9
159.11652	1.6
161.13190	0.8
165.06952	3.6
167.04877	1.4
167.08540	0.6
168.05664	6.3
169.06429	1.8
169.10162	0.6
171.08026	1.6
171.11650	1.1
172.08749	1.0
175.07536	0.7
175.11191	0.7
181.06389	2.6
181.10008	0.6
182.07260	4.1
183.08025	9.7
183.11644	0.7
185.05898	5.5
185.09599	0.7
185.13223	0.7
193.06509	1.1
194.07257	0.6
195.04376	1.6
195.08026	1.4
195.92953	0.5
196.05237	2.5
197.05930	7.8
197.09604	4.1
197.13171	0.5
199.07509	1.3
200.08269	2.6
207.11479	0.6
210.05136	0.5
210.06723	17.5
211.07495	19.5
211.14848	0.7
212.08275	13.9
213.05450	8.8
213.08949	1.5
215.10739	0.7
219.13783	0.5
223.03940	0.6
225.05415	1.4
225.09056	12.7
225.12535	0.7
225.16243	0.6
227.06975	2.7
228.07764	28.8
229.04944	0.7
229.08199	1.1
238.06171	4.3
239.06973	4.2
240.07745	4.3
241.05032	2.2
243.10124	24.2
253.08545	9.4
253.19466	4.8
255.06502	2.3
256.07257	6.2
257.07910	0.7
270.08896	2.1
271.06210	4.8
271.09595	100.0
271.20520	3.8
271.24249	0.9
272.10016	4.2
285.45389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0961
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.48227	0.7
55.05492	1.1
61.94070	0.6
67.05494	4.2
69.61041	0.8
69.61444	4.7
71.63399	0.6
79.05447	1.7
81.03365	0.7
81.07020	2.7
91.05466	3.6
93.07031	4.0
95.04930	0.6
95.08612	4.2
96.70689	0.6
105.07033	3.6
105.86108	0.7
107.08562	3.4
109.10137	4.2
117.06981	2.4
119.08549	2.2
121.10131	5.7
128.06227	0.9
129.06976	2.7
130.07710	0.6
131.08527	3.3
133.10150	3.6
135.11635	1.0
139.05302	0.7
140.06198	3.6
141.07014	1.1
142.07756	2.1
143.08521	2.6
145.10074	5.1
147.11652	4.5
152.06146	3.2
153.06969	3.7
155.08504	2.3
157.06433	1.2
157.10089	10.7
158.07201	0.9
159.07996	1.1
159.11636	6.3
165.06987	2.5
167.08553	0.7
168.05687	19.5
169.06386	1.8
169.10062	1.4
171.08035	0.7
171.11693	3.0
172.08838	2.6
173.13237	1.6
175.11176	2.3
180.05667	2.1
181.06461	2.6
182.07245	2.5
183.08029	23.8
183.11641	1.6
185.05920	5.4
185.13280	0.8
195.08022	5.7
196.05173	12.2
197.05945	2.5
197.09636	1.0
197.13219	2.9
199.07538	2.9
200.08307	5.8
201.68135	0.7
208.05150	2.9
210.06737	2.3
211.07512	88.5
211.14784	1.5
212.08031	3.6
213.05443	2.3
213.16414	0.8
215.10524	0.9
224.04605	3.3
224.15559	1.1
225.03424	0.6
225.05396	3.2
225.09082	2.6
227.06987	2.7
228.07780	9.4
238.17188	0.8
239.07004	52.7
240.07639	4.4
241.04964	5.9
243.10138	38.3
244.10536	1.4
253.19504	16.4
256.07230	8.2
271.09619	100.0
271.20514	14.0
272.09964	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01812	0.7
55.05468	1.1
55.94258	0.7
58.26993	0.7
63.05774	0.7
67.05512	3.7
67.05817	0.9
70.82819	2.2
79.05470	2.4
80.63212	0.8
81.03397	1.2
81.07057	3.6
90.29097	0.7
91.05461	3.8
93.07030	4.3
95.04915	0.8
95.08575	3.0
102.92152	0.8
105.07024	4.7
107.08578	3.8
109.10126	2.6
115.05444	0.8
117.06980	1.1
119.08551	3.3
121.06489	1.0
121.10148	5.4
128.06134	0.8
129.06982	2.3
131.08559	4.0
133.10104	4.8
135.11676	1.0
140.06181	4.7
141.06970	1.1
142.07738	1.7
143.08504	2.5
145.10120	4.6
147.07961	1.0
147.11661	5.4
151.11185	1.4
152.06187	3.7
153.06949	5.1
155.08511	2.8
157.06538	1.1
157.10106	9.7
158.07187	1.1
159.08014	1.2
159.11694	6.3
163.11098	0.9
165.06931	3.6
166.07523	0.8
168.05663	23.4
169.06400	2.8
169.10127	1.4
171.07936	1.3
171.11665	3.4
172.08798	2.9
173.13217	1.7
175.11153	1.9
180.05696	2.4
181.06441	3.1
182.07257	4.4
183.08026	33.8
183.11621	2.2
184.08397	1.0
185.05916	6.4
185.13220	2.8
195.04390	0.9
195.08025	6.7
196.05139	16.2
196.12437	0.7
197.05943	4.2
197.13226	2.8
198.06882	0.7
199.07448	2.0
200.08279	6.0
208.05154	2.7
209.05615	1.1
210.06679	2.5
211.07498	99.6
211.14766	2.6
212.08034	5.0
213.05444	2.9
213.16327	1.1
224.04703	4.1
224.15538	0.8
225.05444	3.6
225.09039	2.9
225.16464	0.9
227.06990	3.1
228.07773	10.7
229.08498	1.7
238.06253	1.0
238.17010	0.9
239.06976	61.8
240.07683	5.1
241.04887	6.3
243.10121	43.4
244.10458	1.6
253.19461	17.6
256.07230	11.5
271.09595	100.0
271.20532	13.9
272.09979	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	271.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68657	0.7
55.01847	2.4
55.05487	1.6
57.03415	0.8
57.07090	0.8
65.41074	0.5
67.05495	5.7
69.07032	1.5
69.72784	4.8
79.05468	4.3
81.03391	2.5
81.07033	5.5
83.08610	1.2
91.05465	9.1
93.07032	7.0
95.04944	1.6
95.08606	4.9
97.06479	0.6
103.05421	0.8
105.07018	7.7
107.04939	0.7
107.08582	4.7
109.06486	0.7
109.10145	4.1
111.04407	0.8
115.05458	1.2
116.14988	0.6
117.06965	2.7
119.04887	1.2
119.08537	4.2
121.06465	2.7
121.10126	6.0
123.11636	0.8
127.00661	0.6
127.03919	0.7
128.06221	1.6
129.06972	2.6
131.08522	4.1
132.05763	0.6
133.06438	0.8
133.10104	6.3
135.08022	1.6
135.11655	1.8
137.05989	0.8
141.06964	6.2
142.07733	2.9
143.08551	2.8
144.09418	0.6
145.06433	1.0
145.10083	6.1
147.08000	4.1
147.11673	5.1
151.07542	0.6
151.11206	0.8
152.06171	2.0
153.06963	13.8
154.07771	1.5
155.04881	1.0
155.08514	10.9
156.09256	0.8
157.06476	1.3
157.10083	11.4
159.08087	0.8
159.11662	6.4
161.09555	0.8
161.13210	1.5
165.06967	96.6
166.07341	2.1
167.08397	0.7
168.05684	15.6
169.06500	4.5
169.10129	2.1
171.07991	1.4
171.11678	2.5
173.09630	0.7
173.13214	2.7
175.11205	2.1
181.06444	14.1
181.10008	0.9
182.07285	3.5
182.10847	1.3
183.08022	39.3
183.11642	1.8
184.05232	1.0
184.08501	0.7
184.12367	0.8
185.05638	3.5
185.13272	0.8
187.14726	0.8
193.06456	47.3
194.07098	2.4
195.11777	1.0
196.05159	19.0
196.08882	1.1
197.05940	6.1
197.09538	0.9
197.13191	3.2
198.14017	0.8
200.04659	0.9
201.09084	0.7
209.05933	1.2
210.06686	3.1
211.07507	100.0
211.14725	2.0
212.07927	2.6
213.05391	1.7
213.09067	1.3
213.16359	1.2
215.07071	1.2
221.07071	1.9
223.03801	0.7
223.14775	0.6
224.04214	2.8
224.08229	1.2
224.15529	0.8
225.03392	0.6
225.05408	2.4
225.09052	2.1
225.12759	1.5
225.16331	1.6
228.07687	1.3
238.02557	1.8
239.06985	70.5
240.07504	2.1
240.11400	2.0
241.04842	1.3
241.08562	0.9
243.06441	1.1
243.10191	1.3
253.04990	3.7
253.19479	14.6
256.06940	8.2
256.10907	0.8
257.08051	1.9
271.06000	8.1
271.09476	12.0
271.13281	11.3
271.20572	15.3
271.24121	2.0
272.10477	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01859	1.1
55.92111	1.0
59.67024	1.0
60.89453	1.0
61.85429	1.1
67.05489	2.9
67.33128	1.1
69.07066	2.2
71.67606	1.8
79.05486	2.8
79.89952	1.3
81.03408	4.2
81.07036	2.5
85.02948	1.4
91.05482	3.8
93.07027	4.3
95.04979	4.7
95.08604	3.6
99.08096	1.2
105.07034	2.1
114.27907	1.2
115.05415	1.8
117.07010	2.4
121.06530	5.0
124.96910	1.2
128.06160	1.3
129.06966	2.7
130.96831	1.1
131.04956	1.2
131.08591	2.3
133.06508	1.2
139.05434	1.8
140.06195	1.2
145.06451	1.3
145.10112	2.3
152.06255	4.7
153.01880	1.5
153.06995	2.5
154.07822	1.6
155.08554	1.8
157.10159	2.0
159.08078	3.5
159.11658	1.7
165.06998	9.1
167.04904	1.6
167.08594	1.8
168.05652	11.2
169.06487	3.6
169.10199	1.5
171.08044	3.4
172.08885	1.7
179.08585	1.9
180.05750	1.3
181.06496	5.3
182.07213	7.1
183.08035	20.5
185.05986	7.3
186.06311	2.7
187.06635	4.5
194.07336	2.6
195.04388	1.6
195.08099	4.4
196.05219	4.5
197.05969	6.7
197.09627	9.6
199.07483	2.4
200.08365	3.8
210.06706	9.9
211.07544	31.1
211.10803	1.6
212.08322	8.3
213.05476	9.9
222.06824	1.3
223.07802	1.3
225.09084	24.1
225.12799	3.5
226.06322	1.5
227.06801	2.5
228.07864	28.2
237.75455	1.2
238.06090	3.0
239.07100	13.2
240.07773	3.0
240.11462	2.1
241.05104	1.9
241.08517	2.5
242.08957	1.3
243.10280	18.2
253.08589	22.9
255.06636	3.4
256.07156	6.1
256.11130	1.2
269.08279	1.5
270.08829	7.4
271.06094	8.9
271.09619	100.0
271.13220	7.5
271.20856	1.6
271.27481	1.6
272.09860	2.5
282.27823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1322
Annotation	Heliophenanthrone
Peak:m/z	Relative Intensity
53.03935	10.5
55.01868	14.9
55.05484	2.7
65.03922	5.2
67.05495	38.4
69.03399	4.5
69.07062	2.3
69.92037	0.9
71.04949	1.2
71.16525	2.0
71.16858	1.2
73.02894	2.8
74.43171	0.9
77.03879	2.1
79.05480	24.2
81.03403	100.0
81.07038	10.1
82.74297	1.3
83.04954	2.3
91.05463	55.6
93.03380	1.9
93.07031	54.6
95.04955	86.9
95.08579	2.4
97.06512	1.3
99.04435	2.8
103.05448	9.9
105.04470	2.8
105.06326	1.9
105.07008	30.1
107.04907	4.4
107.08576	6.2
109.06496	2.8
115.05433	10.3
116.06176	1.5
117.07000	21.3
119.04897	1.6
119.08565	10.3
121.02882	1.9
121.05600	2.4
121.06486	50.1
128.06203	15.2
129.06990	22.4
130.07773	4.9
131.04910	8.7
131.07663	1.7
131.08546	22.3
133.06480	8.2
133.10118	6.4
135.04346	2.5
135.08008	1.3
141.06941	12.9
142.07755	13.3
143.08537	28.3
144.05737	1.5
144.09279	2.3
145.06454	17.5
145.10092	24.7
147.08025	9.6
152.06082	1.3
153.06964	9.1
154.07741	4.4
155.08534	24.1
156.09370	5.5
157.06465	6.6
157.10106	27.3
158.07198	1.7
159.08017	9.4
159.11679	8.3
160.08812	1.2
161.05919	2.0
161.09587	3.0
165.06969	10.7
166.07782	6.5
167.08565	11.5
168.09326	8.6
169.06429	5.9
169.10107	14.6
170.07191	1.7
171.08035	17.0
171.11658	3.3
172.08783	2.6
172.76907	1.0
173.09589	8.8
177.09029	2.7
178.07741	4.1
179.08533	8.4
180.09340	2.1
181.06458	3.3
181.10110	14.5
182.07323	1.7
182.10870	15.7
183.08031	14.3
183.11638	14.9
184.08769	2.9
185.09593	19.3
185.13147	1.1
186.10117	1.4
189.09120	2.3
191.08495	2.5
192.09309	11.5
193.10101	8.0
195.08054	5.3
195.11722	3.3
196.08789	6.8
197.09602	10.6
197.13228	19.9
199.11121	5.0
199.14722	2.3
203.10626	6.6
207.11662	18.5
209.09566	5.1
209.13152	2.2
210.10336	6.7
211.07613	1.2
211.11188	17.6
213.08963	1.6
217.08456	2.8
220.08842	1.5
225.09132	2.2
225.12714	59.7
226.13313	1.6
227.10591	2.1
227.14330	6.1
229.08606	1.5
235.11165	2.3
243.10008	2.5
243.13774	3.0
253.12193	12.5
271.13235	72.1
271.20483	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	271.1324
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.16389	0.3
62.63020	0.2
69.04015	0.2
73.88965	0.3
97.14532	0.3
98.20750	1.0
98.21456	0.8
149.73047	0.2
152.06175	0.4
153.07001	1.0
165.06969	3.2
166.07745	1.8
167.08533	0.6
168.42110	0.2
169.06389	0.3
171.07993	0.4
177.06929	0.6
178.07748	1.2
179.08539	2.2
181.06433	3.9
182.07207	1.1
183.08075	0.8
185.09567	0.7
193.06494	0.5
194.07249	2.9
195.08037	3.4
196.08818	3.0
197.09569	2.8
198.06723	0.7
207.07979	0.8
208.08801	1.2
209.06032	2.0
209.09583	6.6
210.06659	0.8
210.10355	1.1
211.07610	1.4
211.11143	0.6
212.08090	0.6
213.09074	6.8
218.18306	0.3
222.10272	0.3
223.07541	0.8
224.08287	8.1
225.09064	32.8
226.06105	0.4
226.09564	1.3
227.10657	1.4
228.07742	0.6
228.11288	2.0
237.09131	0.4
238.09818	0.8
239.07057	0.5
239.08023	0.4
239.10640	8.0
240.11418	58.9
241.08565	13.2
241.11783	1.0
242.09331	0.5
243.10043	0.6
254.09326	0.6
255.10144	3.9
256.10889	25.6
257.11526	0.5
269.11652	1.2
271.13239	100.0
272.13516	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	271.1324
Annotation	9,10-Dihydro-3,4,7-trimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03933	2.9
55.01865	1.9
55.05481	1.9
67.05505	8.1
68.99776	1.2
69.07072	3.2
71.69496	1.2
71.69879	1.9
75.04469	1.4
79.05479	9.6
81.03399	5.6
81.07047	9.2
83.04955	2.8
83.08587	1.8
91.05463	40.3
93.07021	9.6
95.04940	5.6
95.08588	7.5
103.05434	3.8
105.07006	15.9
107.04935	7.1
107.08588	6.5
109.06491	1.5
109.10123	4.3
111.04415	6.0
115.05411	5.6
116.52281	1.2
117.06995	8.7
118.04061	2.3
119.04900	4.5
119.08519	8.5
120.05665	1.5
121.05621	1.4
121.06484	26.4
121.10111	5.8
128.06171	2.8
129.06978	4.5
131.04890	2.7
131.08549	7.2
132.05652	3.9
133.06471	5.5
133.10110	6.3
135.04379	4.4
135.08026	13.9
137.05945	5.8
141.06964	1.5
142.07756	2.8
143.08521	4.5
145.06454	2.6
145.10097	8.8
145.99631	1.3
147.08025	34.1
147.11646	5.7
149.06001	2.5
151.07512	5.0
153.06969	3.3
155.08502	2.7
157.10085	10.7
159.08002	3.8
159.11649	7.5
161.13286	1.7
163.07451	2.8
163.14822	1.3
165.06960	6.2
165.09052	2.1
166.07605	2.1
167.08484	2.1
169.06433	2.3
169.10023	1.7
171.07988	3.1
171.11720	2.5
173.09540	2.8
173.13202	5.1
177.06964	1.7
177.09007	2.3
178.07814	2.3
179.08540	4.3
181.06476	7.5
181.10124	1.8
182.07259	4.1
183.11707	3.2
184.35022	1.3
185.09610	3.1
185.13249	1.8
193.06493	2.3
194.07169	2.1
195.07993	5.2
196.08789	5.6
197.09595	5.4
197.13226	3.0
208.08807	2.4
209.05936	3.6
209.09366	2.7
210.06651	2.7
210.10394	1.8
211.07541	3.8
211.11229	1.7
211.14783	3.4
213.09094	7.6
224.08310	11.4
225.09081	12.3
225.12732	2.5
226.09656	1.6
227.10541	2.0
228.07629	1.8
239.06898	2.1
239.10654	11.9
240.11455	9.0
241.04968	1.6
241.08604	6.9
253.19438	22.5
255.10028	2.3
256.07098	2.4
256.10947	10.8
271.05933	15.2
271.09805	4.7
271.13239	100.0
271.20560	34.7
271.23895	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	271.1437
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.01865	0.6
55.05487	0.9
65.72309	0.5
67.05482	2.0
67.69090	0.5
68.99757	0.6
70.02837	1.8
70.03255	1.1
70.21902	0.5
77.84310	0.4
79.05444	0.9
81.03396	1.2
81.07021	1.8
85.02886	1.2
89.69506	0.5
91.05461	1.8
91.99805	0.5
93.07028	0.9
94.06554	0.5
95.04958	1.0
95.08575	1.6
99.78394	0.5
105.07024	1.1
117.06966	0.5
118.06521	1.1
118.09393	0.5
119.07292	0.9
119.08556	0.8
120.08110	0.9
121.06485	0.7
123.51661	0.5
124.07632	0.6
129.06964	1.2
131.08495	0.5
132.08041	0.7
133.10048	0.6
142.07791	0.7
144.08063	1.1
145.06453	0.5
145.08885	0.6
147.06744	0.6
148.07497	0.6
153.06950	1.0
154.06435	1.2
157.10101	1.8
158.05968	1.4
158.07202	0.6
158.09581	0.7
159.07994	1.7
159.09171	1.8
159.10390	0.5
162.09073	0.6
168.05714	1.1
168.08029	6.5
169.08832	3.2
170.09697	0.6
181.10086	0.9
182.07259	0.9
182.09583	3.3
183.07973	1.5
183.10408	11.3
183.11940	0.9
185.05908	1.5
186.05415	1.4
195.07771	0.6
196.05193	0.5
197.05901	1.8
197.09630	0.7
198.07793	0.6
198.12775	7.0
199.08691	2.4
199.12340	0.6
200.08456	0.9
200.13063	0.5
207.11754	0.5
210.06755	3.1
210.08995	0.6
210.11342	1.0
211.07515	4.8
211.09517	1.0
212.08038	1.6
212.09511	2.2
213.05431	2.1
213.10298	5.3
214.10948	1.5
215.15393	2.1
225.09058	2.1
226.12346	6.2
227.08138	1.4
227.11757	26.2
228.07799	6.2
228.12538	20.2
229.13081	1.0
238.06219	0.7
239.06984	1.6
240.08917	1.6
240.11311	0.6
241.09779	2.8
243.10144	6.4
243.14882	14.6
244.15103	0.6
253.08488	1.6
253.13274	1.7
253.19527	0.5
254.11761	0.5
254.24937	0.7
255.11247	63.0
256.12024	64.4
257.12369	1.8
269.12833	1.9
271.06125	2.5
271.09613	24.7
271.14362	100.0
272.10086	1.6
272.14651	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	271.1898
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
51.64795	1.6
53.03924	3.6
55.01841	2.3
55.05241	1.7
55.05502	32.2
57.03168	1.4
57.03428	21.3
67.05494	59.7
69.07056	30.2
69.41376	1.6
69.41711	17.3
71.04985	10.4
71.54278	1.4
79.05482	24.0
81.03390	4.4
81.07042	83.7
83.04962	5.0
83.08610	23.0
85.06538	8.8
91.05461	21.5
93.07038	22.4
95.04932	5.9
95.08588	100.0
97.06511	16.9
97.10136	4.7
98.20772	4.4
98.21453	3.7
99.08057	5.8
105.07010	18.5
107.08572	8.3
107.53121	1.6
109.06484	4.6
109.10154	12.7
111.08047	6.1
115.07640	1.4
117.06999	3.3
119.08566	24.9
119.36575	1.8
121.10101	5.4
121.98171	1.3
123.08018	3.7
131.08539	2.4
133.10135	11.6
134.51924	1.6
135.11691	8.7
137.09576	3.2
137.13232	5.8
140.25003	1.5
145.06404	2.1
157.10170	2.2
161.13232	23.8
165.06992	1.8
179.14259	10.8
184.30545	1.4
197.13220	2.4
225.08974	2.5
229.28050	1.4
240.11446	2.7
253.17989	2.7
256.10886	2.0
271.06070	8.3
271.13065	8.7
271.18985	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	271.19
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.49669	0.8
53.03925	2.5
55.01847	2.2
55.05504	40.1
57.03165	1.5
57.03427	23.8
57.07054	2.6
59.04980	0.9
59.38277	0.7
65.03919	2.1
67.05495	55.7
69.07059	32.3
69.66584	5.9
69.66985	1.6
71.04981	12.6
73.06528	1.8
79.05028	1.1
79.05482	25.0
81.07043	90.3
83.04961	5.3
83.08607	19.1
85.06519	9.2
91.04922	1.2
91.05465	21.4
93.07030	27.0
95.04932	2.8
95.08591	100.0
96.08928	1.0
97.05952	1.2
97.06519	16.6
97.10139	6.0
99.08078	5.5
101.05972	1.0
105.06331	1.3
105.07007	18.4
107.08563	8.7
109.06505	2.6
109.10142	13.5
111.08076	4.8
113.09615	2.4
119.08570	22.6
121.10105	5.5
123.08057	4.5
123.11662	1.4
125.09618	1.7
127.07546	1.3
133.10109	15.7
135.10928	0.7
135.11705	8.5
137.09576	2.8
137.13240	5.8
141.09044	0.7
147.11668	0.9
149.13234	0.9
157.10101	1.3
159.11659	1.8
161.13237	30.4
179.14279	12.5
182.56445	0.8
197.15379	1.0
211.14708	0.8
253.17673	1.8
253.19864	1.3
271.06015	2.0
271.18988	59.6
272.19611	0.9
287.03363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(10S)-Juvenile hormone III acid diol
Peak:m/z	Relative Intensity
53.03936	3.2
55.01864	2.7
55.05504	34.1
57.03429	27.7
57.07064	2.8
65.03909	1.8
67.05495	55.5
69.03435	2.2
69.07059	27.8
70.23078	5.3
71.04980	10.8
79.05482	29.9
80.43976	1.2
81.03400	1.5
81.07043	92.5
83.04963	6.0
83.08611	20.2
85.06525	9.3
91.05462	24.7
93.07030	25.5
94.27451	1.2
95.04963	3.7
95.08594	100.0
97.06517	15.0
97.10161	6.9
99.08085	6.1
105.07011	18.0
107.08571	12.6
109.06511	3.8
109.10140	14.2
111.08074	4.5
111.44218	1.3
113.09590	1.4
117.06998	2.5
119.08566	27.4
121.10126	12.4
123.08079	5.8
123.11710	2.5
129.07024	2.4
131.08559	6.1
133.10112	21.0
135.11641	7.0
137.09599	2.5
137.13220	6.4
143.08577	2.9
145.10097	5.4
147.11639	5.1
149.13268	1.4
157.10083	11.5
159.11655	11.0
161.13235	29.6
169.10170	1.7
171.11668	3.8
173.13269	1.6
175.11150	2.4
179.14240	12.4
183.11595	2.2
185.13223	2.7
187.14853	2.3
197.13266	3.3
211.07510	1.9
224.40239	1.5
228.04114	1.4
236.18057	1.3
253.19627	16.8
271.06021	3.6
271.09769	1.4
271.12952	1.3
271.18646	37.7
271.24307	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	271.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51967	1.3
53.03931	4.1
53.08851	1.4
55.01859	3.4
55.05236	2.1
55.05500	40.4
55.55764	1.3
57.03161	2.1
57.03425	30.1
57.07077	2.0
65.03922	2.2
67.05494	64.1
69.07055	32.7
71.04975	11.2
71.31039	3.8
73.06557	1.5
76.70872	1.2
79.05476	30.1
81.03379	2.2
81.07041	96.1
83.04972	3.9
83.08605	21.7
85.06534	10.1
86.84239	1.4
91.05465	32.3
93.07032	33.7
95.04947	5.6
95.08588	100.0
97.06516	12.6
97.10132	5.6
99.08049	6.0
100.34412	1.3
105.07005	27.4
107.08586	15.7
108.59641	1.4
109.06503	3.5
109.10126	22.1
111.08027	3.2
117.06992	6.6
119.08558	24.9
121.10120	17.8
123.07249	1.5
123.08051	7.6
123.11775	1.4
129.06976	5.5
130.07698	3.3
131.08551	10.2
133.10118	25.2
135.10776	1.4
135.11629	9.4
137.09599	4.1
137.13205	5.8
141.06970	2.1
142.07764	6.4
143.08568	8.3
144.09308	1.8
145.10056	10.6
147.11649	16.1
149.13210	1.7
155.08517	4.2
157.10089	31.7
159.11676	16.1
161.13228	25.8
167.08519	2.0
169.10165	5.3
171.11676	5.8
173.13268	2.9
175.11145	4.3
179.14270	9.9
182.10901	1.6
183.11649	4.8
185.13187	3.9
197.06068	1.5
197.13199	6.3
198.99698	1.8
211.07466	2.1
211.14780	5.8
212.15491	1.7
213.16199	1.8
224.15524	2.2
253.19528	40.2
271.05951	12.3
271.09067	2.6
271.14017	2.9
271.19012	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	271.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01867	5.2
55.05502	31.8
57.03196	1.9
57.03431	22.8
57.07063	1.9
65.03905	4.0
67.05497	63.3
68.99783	3.0
69.03413	2.3
69.07061	27.2
70.62280	5.4
71.04982	9.8
71.08639	1.6
72.42798	1.7
79.05485	31.7
81.03400	10.6
81.07045	87.3
83.04968	6.0
83.08603	20.4
85.02880	2.5
85.06522	7.3
88.98855	1.6
91.05462	38.6
93.07032	41.9
95.04967	8.8
95.08593	100.0
95.30506	1.5
97.06515	13.2
97.10159	4.8
99.08089	4.2
101.06001	1.8
104.17194	1.5
105.07014	33.9
107.08580	18.6
109.06528	4.0
109.10129	28.0
111.08067	4.1
113.06039	1.9
115.05437	2.8
117.06994	7.3
119.08573	31.3
121.02874	1.7
121.06470	6.8
121.10124	31.3
123.08035	6.9
123.11687	3.6
125.09611	1.6
128.06238	3.3
129.06982	9.7
131.08551	18.7
133.10107	35.4
135.11674	10.8
137.09616	4.7
137.13268	5.2
138.38983	1.9
140.06239	2.7
141.06969	6.7
142.07755	8.0
143.08548	17.7
144.09296	3.3
145.06450	4.1
145.10115	21.4
147.08035	2.1
147.11655	22.0
149.09599	2.5
149.13219	2.2
151.11203	3.8
152.06198	3.6
153.06978	9.1
154.07741	2.6
155.08571	8.7
157.06508	2.1
157.10104	56.3
158.07164	2.1
159.08055	4.7
159.11674	35.8
161.09552	2.0
161.13226	26.2
163.11208	2.2
165.06958	10.1
166.07672	2.1
167.08568	1.7
168.05696	25.3
168.09334	3.5
169.06441	7.0
169.10068	8.0
171.08040	3.6
171.11659	11.1
172.08795	1.8
173.05960	2.7
173.13287	6.9
175.11133	11.9
175.14772	1.9
177.12701	2.1
179.14276	13.9
181.06488	6.1
181.10086	3.4
182.07256	9.8
182.10844	2.1
183.08038	31.7
183.11636	7.3
185.05928	11.0
185.09650	3.6
185.13275	6.3
187.14825	2.3
195.08090	3.2
195.86002	1.8
196.05180	17.7
197.05940	15.6
197.09651	2.7
197.13255	14.1
198.06627	2.7
199.07570	4.9
199.14830	2.7
200.08337	6.6
201.16371	2.3
209.05809	2.1
209.13179	2.8
210.06709	17.8
211.07510	79.1
211.14719	10.9
212.08228	18.3
213.05437	16.2
213.08984	4.7
213.16367	3.5
215.10670	4.0
221.05933	1.7
223.14832	3.2
224.04689	4.7
224.15523	2.6
225.05565	3.4
225.09125	17.3
225.12726	4.8
225.16406	5.9
226.06210	2.3
227.06987	5.3
227.14189	1.9
228.07756	19.9
229.08469	1.8
238.17180	3.2
239.06998	64.5
240.07738	13.1
241.04996	3.3
242.09256	3.1
242.16751	1.8
243.10121	39.0
244.10532	2.3
253.08630	3.3
253.19536	71.6
256.07257	25.3
271.06082	18.2
271.09641	87.5
271.13223	7.7
271.18939	21.1
271.20560	44.3
271.24152	3.6
272.06339	1.4
272.10107	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	271.2051
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03949	1.3
55.05490	4.8
57.07072	1.2
65.03942	1.2
67.05490	17.5
67.77702	0.7
69.07069	2.8
69.47861	6.6
77.03976	0.7
77.96838	0.5
79.05476	14.6
81.03404	1.9
81.07041	17.9
83.04976	0.9
83.08624	1.9
91.05463	16.3
93.07026	25.7
95.04928	4.6
95.08590	21.0
95.71505	0.6
97.06531	1.9
97.10146	0.8
105.07006	24.6
107.08572	20.9
109.06527	1.3
109.10138	20.0
109.10868	1.1
109.35017	0.6
110.16118	0.7
115.05451	0.9
116.66604	0.6
117.06994	7.4
118.07813	0.9
119.04920	0.7
119.08555	15.1
121.06458	1.6
121.10116	35.4
123.08044	1.0
123.11715	2.5
128.06210	3.6
129.06981	9.7
130.07774	1.5
131.08536	18.9
133.10104	27.4
135.11641	5.7
137.09636	1.3
141.06963	3.1
142.07751	10.5
143.08531	14.1
144.09331	2.9
145.06412	0.8
145.10088	23.5
147.07901	0.7
147.11659	28.5
149.09602	3.1
151.11133	4.0
153.06947	1.1
155.08542	6.6
156.09352	1.0
157.10098	70.4
158.10594	0.9
159.11659	37.7
161.09641	2.0
161.13260	2.1
163.11148	2.8
165.06985	1.1
167.08521	1.7
168.09332	1.7
169.10118	7.4
171.11659	16.6
171.13058	1.3
173.13231	7.2
175.11151	14.7
177.12805	2.6
181.10132	2.0
182.10913	2.1
183.08101	0.8
183.11674	11.1
184.12390	1.1
185.13211	7.8
186.13841	0.6
187.14764	1.8
189.12820	0.8
195.07944	0.6
195.11674	1.3
196.12494	3.2
197.05966	0.7
197.13217	15.7
197.14908	0.9
198.13986	2.8
199.14803	1.8
201.16389	0.9
203.03693	0.6
209.13234	2.7
210.14067	0.7
211.07497	1.2
211.14775	14.8
212.15498	2.3
213.16360	4.0
223.14722	3.3
224.15556	6.1
225.09137	1.3
225.12709	1.0
225.16269	6.8
227.17755	0.8
228.07651	0.8
229.04652	0.6
238.17143	3.9
240.11397	0.8
242.16597	1.7
253.19476	100.0
254.19852	1.8
256.07324	0.9
271.05969	3.1
271.09515	4.2
271.12991	3.6
271.20517	74.7
272.20886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03931	1.2
55.01865	1.0
55.05499	6.6
57.03437	0.7
57.07071	0.7
58.13476	0.6
65.03921	1.1
67.05490	19.5
68.99781	1.0
69.07047	3.4
69.66739	1.7
69.67169	3.4
77.03928	1.2
78.14374	0.7
79.05473	15.2
81.03398	2.8
81.07039	17.8
83.04964	0.8
83.08622	1.3
91.05464	17.1
93.07024	27.7
95.04972	4.2
95.08585	19.9
95.09196	1.1
96.90635	0.6
97.06526	2.0
98.21416	1.1
103.05486	1.1
105.07006	26.3
107.08572	21.0
109.06508	1.4
109.10132	20.5
115.05438	1.9
115.26839	0.6
116.06202	1.1
117.06992	9.9
118.07791	0.7
119.04889	0.6
119.08556	15.5
121.06497	2.2
121.10118	37.4
123.08054	1.2
123.11695	2.8
128.06166	3.3
129.06969	9.9
130.07745	2.8
131.08543	23.2
131.87509	0.7
133.10106	27.6
135.11658	5.5
137.09589	0.7
141.06963	4.6
142.07759	12.4
143.08542	13.5
144.09323	3.3
145.06468	0.8
145.10088	24.8
147.08052	1.3
147.11656	29.4
149.09560	3.6
151.11121	3.8
152.06186	1.3
153.06982	1.7
154.07768	1.6
155.04895	1.1
155.08539	8.2
156.09248	1.6
157.10097	64.2
158.10693	0.9
159.08014	1.2
159.11665	39.9
161.09589	2.1
161.13239	2.6
162.07689	0.6
163.11177	2.1
165.06966	1.6
167.08543	1.8
168.05679	5.9
168.09282	1.6
169.06476	0.9
169.10081	7.2
171.08066	1.1
171.11664	16.8
172.08780	0.7
172.12465	0.7
173.05957	0.6
173.13232	9.4
175.11153	13.2
177.12753	1.7
181.06450	0.7
181.10117	2.4
182.07237	1.5
182.10864	2.9
183.08049	7.3
183.11656	13.5
184.12373	1.2
185.05945	1.8
185.13208	8.9
187.14662	1.2
195.07985	1.4
195.11665	1.2
196.05200	3.9
196.12440	1.9
197.05881	1.7
197.13203	17.5
198.13983	1.7
199.07469	0.8
199.14772	2.8
200.08263	2.0
201.05376	1.2
201.16437	0.8
203.06824	0.6
208.05312	0.6
209.13242	3.6
210.13899	1.0
211.07510	23.3
211.14777	13.4
212.08044	1.6
212.15504	3.2
213.05412	1.1
213.16338	4.8
215.14386	0.9
223.14735	3.4
224.04622	0.9
224.15622	6.4
225.05492	1.4
225.09074	1.8
225.12729	1.3
225.16313	6.7
227.17841	0.8
228.07774	2.8
229.04915	1.3
229.19449	0.6
232.43323	0.6
238.17128	4.5
239.04674	1.2
239.06961	13.1
240.07477	1.1
240.11340	0.8
241.04985	2.0
242.16667	1.4
243.10120	9.3
251.17851	0.7
253.19472	100.0
254.19856	1.5
254.24742	2.6
256.07248	2.2
271.06003	8.7
271.09595	25.9
271.13037	3.7
271.20511	77.9
272.10165	1.2
272.20892	1.6
272.25836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03927	1.8
55.01837	1.3
55.05492	6.6
56.85029	0.8
57.03428	1.0
65.03932	1.1
67.05492	21.9
69.07055	4.2
71.14146	2.0
79.05484	15.5
81.03407	3.8
81.07038	18.4
83.04946	1.5
83.08591	2.6
85.06539	0.8
89.73632	0.8
91.05458	19.2
91.56361	0.7
92.06223	1.0
93.07025	28.5
95.04934	4.4
95.08591	24.5
96.08136	0.8
97.06516	1.5
97.10214	0.9
99.28952	0.8
105.07008	26.3
107.08578	21.0
109.06503	1.2
109.10133	20.5
114.18834	0.9
115.05419	1.3
117.07011	8.2
118.06515	1.1
119.08556	16.2
121.06486	2.4
121.10121	37.0
123.11675	3.3
124.07575	1.9
127.91285	0.8
128.06203	3.6
129.06992	9.4
130.07768	2.5
131.07819	0.6
131.08549	22.3
133.10110	27.1
134.06021	3.1
135.11656	5.3
137.09604	2.7
141.06996	4.3
142.07756	14.2
143.08524	16.0
144.09331	2.9
145.06494	1.4
145.10097	25.8
147.06873	0.9
147.08020	1.2
147.11656	29.1
148.07564	4.0
149.09633	3.6
151.11176	4.5
153.06946	2.1
155.08524	8.7
156.09247	2.3
157.10100	65.0
158.10594	1.1
159.11667	39.9
161.09619	1.5
161.13235	5.3
163.11223	1.9
165.06961	2.3
167.08524	1.6
168.09312	1.4
169.10091	8.3
171.11662	15.5
172.12468	0.9
173.13219	8.1
175.11157	15.0
177.12729	2.1
181.10095	2.6
182.10951	2.5
183.08073	1.4
183.11641	9.9
184.12424	1.0
185.13202	8.4
187.14786	1.7
189.12750	1.0
195.11734	2.0
196.12511	2.6
197.13222	16.1
198.13982	1.6
199.14848	2.5
200.24374	0.8
209.13260	2.7
211.07419	1.2
211.14786	12.8
212.15518	1.8
213.16382	3.6
213.72139	0.9
223.14818	3.3
224.15491	4.8
225.12740	1.4
225.16379	7.2
227.17865	1.3
238.17149	3.2
253.04878	1.0
253.19469	100.0
254.19814	2.2
271.06012	5.5
271.09622	3.3
271.14127	3.7
271.20563	70.9
272.20752	1.3
287.07141	0.9
289.15375	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	271.2051
Annotation	Clathrin B
Peak:m/z	Relative Intensity
50.28846	1.0
52.10145	1.0
55.01851	2.0
55.05494	5.0
57.03404	1.4
58.24768	0.8
60.33537	0.9
60.62167	1.0
67.05494	23.1
68.99758	2.1
69.07050	5.4
70.89069	2.2
70.96188	1.0
79.05477	17.0
81.03381	3.2
81.06601	1.6
81.07043	22.3
83.04975	1.2
83.08585	3.7
91.04930	1.3
91.05464	21.5
93.07028	28.8
95.04927	4.0
95.08592	26.2
97.06480	2.4
105.07011	28.5
105.27271	0.9
107.04960	1.2
107.07899	1.8
107.08579	21.9
109.06490	2.1
109.09401	1.5
109.10132	21.2
115.05444	1.8
116.06171	1.2
117.06393	0.9
117.07008	9.6
119.08551	17.8
121.06492	3.1
121.10126	37.4
123.04381	1.1
123.08039	2.1
123.11732	2.2
127.03841	1.1
128.06207	3.6
129.06979	12.5
130.07762	1.1
131.07657	1.5
131.08553	22.3
133.10112	28.9
135.11665	6.3
136.69820	1.0
137.09570	2.0
139.05399	1.5
141.06995	7.5
142.07758	12.4
143.08546	15.4
144.09297	3.3
145.06450	3.5
145.10104	26.1
145.97691	0.9
147.07964	1.5
147.11661	31.1
149.09554	2.7
149.13235	1.3
151.11137	3.7
152.06183	4.7
153.01816	1.5
153.06952	6.7
155.08516	9.5
156.09271	1.6
157.06462	3.2
157.10095	69.6
158.07146	1.0
159.08020	4.5
159.11665	43.4
160.08780	1.4
161.05922	1.2
161.09604	2.7
161.13257	5.0
163.11133	2.8
165.07018	5.4
167.08511	1.9
168.05687	20.9
168.09283	1.7
169.06427	5.2
169.10068	7.8
170.07303	1.6
171.08069	2.5
171.11665	17.1
172.08868	1.8
173.09543	2.1
173.13219	9.9
175.11162	14.2
177.12738	1.5
181.06430	5.1
181.10086	2.6
182.07262	7.2
182.10890	1.9
183.08040	27.3
183.11649	13.3
184.08705	1.9
184.12396	1.4
185.05933	10.3
185.09576	3.3
185.13223	8.6
186.06491	1.7
186.13985	1.3
187.07474	3.3
187.14766	1.9
193.06505	1.4
195.08022	3.2
195.11626	1.3
196.05171	15.2
196.08801	1.3
196.12482	1.7
197.05943	17.0
197.13199	18.6
198.06577	3.7
198.13991	3.2
199.07379	3.0
199.14771	3.1
200.08316	4.8
201.09076	13.6
209.05914	1.4
209.13217	3.3
210.06708	15.3
211.07509	71.8
211.14771	15.2
212.08247	18.1
212.15602	2.2
213.05455	12.1
213.09007	8.6
213.16258	3.7
214.06076	3.4
215.10684	3.6
215.14195	1.0
221.05969	1.1
223.14832	3.2
224.04597	5.6
224.08182	1.5
224.15500	5.4
225.05431	4.4
225.09068	15.6
225.12651	1.8
225.16316	7.0
226.06146	1.4
226.09525	1.9
227.06932	5.5
227.10484	1.9
228.07776	19.3
229.08540	10.7
238.06133	2.3
238.17070	3.8
239.06987	68.4
240.07722	11.2
241.04904	2.4
241.08432	4.2
242.16653	1.3
243.10136	37.5
244.10773	4.6
253.08562	2.5
253.19469	100.0
254.09425	4.9
254.19704	2.2
255.10110	3.7
256.07239	23.0
257.08041	14.3
271.06207	5.7
271.09601	93.9
271.12985	3.6
271.20544	74.7
272.10364	67.1
272.20755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2051
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03933	3.8
55.01855	5.1
55.05501	8.7
57.03416	4.3
57.07053	1.4
65.03927	2.1
67.05494	32.3
68.99770	2.0
69.03424	2.4
69.07056	9.2
70.07208	6.6
70.78103	1.2
71.04990	1.3
71.08569	1.3
73.26714	1.1
79.05481	29.8
81.03405	18.1
81.07043	31.4
83.04962	2.9
83.08597	3.1
85.02903	1.4
85.06545	1.3
91.05463	37.3
93.07024	45.5
95.04401	1.8
95.04958	20.5
95.07999	2.4
95.08589	36.7
95.09191	2.0
97.06477	2.7
97.10145	1.4
98.21368	1.3
100.54031	1.2
103.05431	4.9
103.31931	1.2
104.06227	1.5
105.07008	49.0
107.04935	51.8
107.08577	27.1
108.05212	1.4
109.06501	3.2
109.10143	24.2
111.04443	1.6
115.05438	5.5
117.06991	15.4
119.04920	18.3
119.08554	23.0
121.06490	26.5
121.10122	42.1
123.08015	3.3
123.11673	4.6
128.06221	7.0
129.07004	17.8
130.07744	2.9
131.04907	3.8
131.08540	28.1
132.05634	1.1
133.06468	15.4
133.10110	34.6
135.08028	6.8
135.11673	7.6
137.05937	3.5
137.09641	1.4
139.07556	1.7
140.06227	1.4
141.06999	9.7
142.07755	15.1
143.08540	23.2
144.09340	3.0
145.06454	6.4
145.10104	31.1
147.04384	2.2
147.08003	6.4
147.11658	35.8
147.12828	1.8
149.06026	2.1
149.09589	4.0
149.13254	2.6
151.03851	3.6
151.07515	29.2
151.11154	3.8
152.06198	2.9
153.06996	8.5
154.07739	3.6
155.08521	14.7
156.09322	2.1
157.06483	2.9
157.10098	74.4
159.08023	4.1
159.11671	46.2
161.09605	4.4
161.13200	6.9
163.07530	2.2
163.11168	3.5
164.08311	4.7
165.06984	11.4
165.09045	1.2
166.07759	1.6
167.08568	6.7
168.05681	8.3
168.09325	4.1
169.06451	3.8
169.10088	15.7
171.08025	5.2
171.11662	14.6
173.09540	2.9
173.13229	10.0
175.11154	14.7
175.14775	1.4
177.09047	1.7
178.07768	11.0
179.08521	3.6
181.06419	9.6
181.10129	4.4
182.07260	5.2
182.10837	2.9
183.08028	16.4
183.11655	13.9
184.08765	1.5
185.06007	3.6
185.09624	6.0
185.13200	9.8
187.07442	1.5
187.14726	1.3
192.09273	1.7
193.10042	6.6
194.07227	2.3
195.08046	5.1
195.11639	2.7
196.05182	5.4
196.08757	7.4
196.12447	3.3
197.05884	7.2
197.09541	2.5
197.13222	20.1
197.14928	2.1
198.13887	3.1
199.07500	2.1
199.14825	2.3
200.08365	3.4
201.16393	2.0
203.07007	1.2
203.10550	2.0
207.08031	2.8
207.11687	4.0
208.08775	4.9
209.09612	3.4
209.13297	3.3
210.06703	6.3
210.10265	1.5
211.07516	24.9
211.11246	8.6
211.14780	18.0
212.08316	6.8
212.15565	3.9
213.05458	6.8
213.09012	2.9
213.16359	5.5
215.10571	1.4
221.06053	1.5
221.09575	4.1
222.10454	2.9
223.14729	3.6
224.08191	1.8
224.15610	5.3
225.05409	2.4
225.09103	7.2
225.12743	11.4
225.16211	8.0
226.09789	2.0
227.06995	1.6
227.17825	1.8
228.07718	7.0
229.04935	1.9
229.08513	2.0
238.09755	8.0
238.17188	4.6
239.07008	22.2
239.10562	2.3
240.07674	3.6
240.11429	3.9
241.04904	2.2
241.08630	3.4
242.16690	2.1
243.07593	4.2
243.10162	11.9
243.21111	1.3
253.05026	1.4
253.08551	1.6
253.12341	7.7
253.19481	100.0
254.19678	1.8
256.07318	7.4
256.10834	2.7
271.06091	20.1
271.09674	34.6
271.13281	82.3
271.20547	91.0
271.23856	4.4
272.10361	6.7
272.13583	3.6
272.20844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
50.40007	0.7
53.03921	1.5
55.01871	1.4
55.05504	6.7
57.07061	1.6
65.03927	1.7
67.05142	1.6
67.05496	22.7
69.03399	1.0
69.07059	5.1
77.03907	0.8
79.05019	1.2
79.05476	18.3
81.03391	1.1
81.07042	25.6
83.04952	1.6
83.08598	3.0
85.06462	0.8
91.05466	21.6
93.07029	31.3
95.04936	3.5
95.08591	27.7
97.06514	2.5
97.10123	0.9
103.05479	1.6
105.07014	32.6
105.07724	1.8
107.08572	26.2
109.06487	1.8
109.10137	26.3
115.05423	2.4
116.06168	0.9
117.06997	8.9
119.06111	0.7
119.08559	17.6
121.02833	0.9
121.06484	1.3
121.10126	41.7
123.08056	2.2
123.11678	4.0
128.06172	3.7
129.06987	12.6
130.07761	2.8
131.08546	22.7
131.09319	0.5
131.09558	0.9
133.10104	30.9
135.11681	6.9
137.09552	1.1
137.13284	0.8
141.06938	6.1
142.07750	15.2
143.08537	16.4
144.09308	3.1
145.10101	27.2
147.08005	1.3
147.11664	32.3
149.09593	4.4
149.13217	3.0
151.11157	3.5
152.06215	1.6
153.01862	1.4
153.06995	3.1
154.07750	1.3
155.08527	9.3
156.09291	1.9
157.10101	66.4
158.10745	1.3
159.11671	41.8
160.12057	0.8
161.09586	3.3
161.13219	6.2
163.11148	2.5
165.06956	5.2
165.12724	1.0
167.08511	1.2
168.05725	1.9
168.09314	2.6
169.06381	1.0
169.10091	11.3
170.10855	1.4
171.11664	19.3
173.05862	1.0
173.13217	11.6
175.11171	13.4
175.14812	2.6
177.12744	3.2
177.16437	1.0
181.06575	1.5
181.10083	3.0
182.07199	1.2
182.10899	1.9
183.08040	3.8
183.11664	13.6
185.05942	1.2
185.13202	8.7
186.13974	1.1
187.11110	1.1
187.14827	4.0
195.11710	1.7
196.05194	2.4
196.12437	2.7
197.05920	1.7
197.13255	17.7
198.13869	1.3
199.14723	3.9
201.16376	2.5
209.13240	3.2
210.06734	1.2
211.07516	9.3
211.14790	15.1
212.08121	1.0
212.15558	2.7
213.05489	1.5
213.09096	0.8
213.16382	4.4
215.14276	1.3
215.17943	2.9
223.14781	3.1
224.15552	5.5
225.09187	1.4
225.16339	7.6
227.17873	2.3
228.07764	1.1
229.19460	1.2
238.06221	1.1
238.17073	4.4
239.06970	4.8
240.07744	2.7
240.11618	0.9
242.16566	1.0
243.10149	1.9
243.21097	1.4
243.44899	0.8
253.08913	1.2
253.19489	100.0
254.19788	2.0
256.07230	2.8
271.05994	12.0
271.09659	23.1
271.13022	1.6
271.14139	1.7
271.20541	90.0
271.24088	14.6
272.06107	1.3
272.10318	2.3
272.18530	2.1
272.21036	1.4
277.09775	0.8
282.09283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03945	2.0
55.01860	1.0
55.05506	7.6
57.03399	1.3
65.03922	1.6
67.05490	20.1
68.99772	2.1
69.07048	6.2
70.44387	4.0
71.08601	1.1
79.05480	13.5
81.03364	1.5
81.07049	20.5
83.04938	2.0
83.08597	4.2
91.05462	19.9
92.04998	1.0
93.07027	26.8
94.80185	1.0
95.04948	2.7
95.08585	23.7
96.08167	1.2
97.06520	1.8
97.10118	1.8
98.21386	1.0
103.05490	2.2
105.06332	1.8
105.07011	27.9
106.06531	2.4
107.04922	1.2
107.08572	25.0
109.06484	2.2
109.10133	22.8
111.04436	1.2
115.05458	2.1
117.06992	10.3
119.04903	2.2
119.08570	16.8
121.06492	1.6
121.10120	36.1
121.52580	0.9
123.08052	2.3
123.11703	3.4
124.07598	1.4
125.37076	1.0
128.06206	3.5
129.06981	10.9
130.13089	0.9
131.08546	23.8
133.10095	28.5
134.05939	1.3
135.08105	1.0
135.11665	6.1
137.09628	1.4
141.06969	4.5
142.07788	10.6
143.08554	14.7
144.09306	2.4
145.10104	27.6
147.08014	0.9
147.11662	30.4
148.07526	2.8
149.09592	3.7
149.13158	1.6
151.11140	4.6
152.06123	1.2
153.06984	3.7
154.07713	1.0
155.04962	1.9
155.08484	5.8
156.09340	2.8
157.06483	2.7
157.10107	63.3
159.10356	2.2
159.11674	42.7
161.09566	2.4
161.13205	4.4
163.11153	2.9
165.06956	6.8
167.08522	2.0
168.05704	6.1
169.06471	1.8
169.10124	9.8
171.08044	1.1
171.11668	16.3
171.13057	1.5
173.05984	1.6
173.13232	12.8
175.11169	15.0
175.14809	2.9
177.12735	2.7
181.06412	2.4
181.10103	2.5
182.07225	3.0
182.10870	1.7
183.04460	1.1
183.08012	9.0
183.11673	10.4
184.12381	1.2
185.05927	3.5
185.13255	9.5
186.06310	1.1
187.11131	1.1
187.14790	3.1
193.06447	1.5
195.11705	1.6
196.05193	4.1
196.12437	3.0
197.06004	5.5
197.09547	1.5
197.13202	15.5
198.14012	2.2
199.14793	2.8
200.08307	2.4
201.05368	1.3
201.08890	1.1
201.16351	2.8
209.13245	3.5
210.06685	4.0
211.07513	25.0
211.14780	15.0
212.08231	2.4
212.15599	2.1
213.05446	3.8
213.09021	1.2
213.16341	6.2
215.17897	1.8
221.06081	1.1
223.03949	1.5
223.14778	3.4
224.15536	6.1
225.05486	2.7
225.09056	4.8
225.12560	1.2
225.16338	6.5
226.09421	1.2
227.17870	2.3
228.04141	2.0
228.07710	5.4
229.04967	1.6
238.06194	2.8
238.17065	5.4
239.06938	12.7
240.07671	7.6
241.04903	1.2
242.16556	1.5
243.06448	3.4
243.10115	5.7
253.08644	6.0
253.19489	100.0
254.19737	2.1
256.07251	8.3
271.06042	19.9
271.09622	66.3
271.14182	4.3
271.17313	3.7
271.20541	85.6
271.24026	8.9
272.06604	1.0
272.10028	3.6
272.20834	2.2
289.15527	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	272.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59621	0.7
52.77826	0.6
55.01876	0.9
55.05498	0.9
56.96555	100.0
57.03428	1.6
57.80072	0.6
61.02918	2.1
65.03934	5.7
69.03419	4.7
69.94932	2.3
70.06573	4.2
70.98087	0.9
71.05025	0.9
71.95268	1.7
73.02906	1.8
73.71990	0.6
74.97594	9.3
79.05484	1.1
80.05009	1.3
81.03407	1.8
81.07030	1.2
82.06560	0.7
83.04966	0.8
83.06115	0.8
84.08140	1.3
84.96014	8.1
85.02886	9.2
86.09714	1.0
86.97592	1.4
87.04450	0.7
89.03909	2.3
92.04990	59.2
92.98644	1.3
93.05771	6.1
94.06549	10.9
95.04971	1.2
95.06082	1.0
97.02882	3.6
97.99162	1.5
98.97572	18.6
102.97039	1.0
107.04959	1.9
109.02880	1.3
110.06024	94.9
110.07106	7.9
110.97550	1.2
111.04369	0.9
112.99139	1.5
116.98608	13.4
117.03364	1.8
123.01161	0.6
123.04421	2.4
124.03931	7.2
124.99097	20.5
125.00016	1.1
126.97044	0.7
127.00662	2.1
127.03871	2.5
128.98587	1.4
129.02211	3.5
130.93291	2.2
131.00146	2.8
132.98105	2.1
133.01686	0.7
134.01288	0.8
134.99640	6.9
135.04366	4.5
136.98923	0.6
139.03938	0.8
140.00131	0.6
140.03383	1.5
141.02199	1.8
143.00140	68.2
144.00545	0.9
144.98007	1.7
145.01704	2.5
145.02838	2.1
145.04997	0.7
146.99631	1.4
147.03264	12.6
147.04390	0.8
148.94333	1.0
149.01202	1.6
149.02254	0.8
150.99118	13.1
152.06999	3.1
152.98604	2.2
153.00728	1.2
155.04602	2.3
156.07611	0.7
157.01701	2.6
158.99626	2.2
159.03235	5.2
161.01196	71.6
162.99130	2.7
163.02658	1.4
163.03877	14.5
163.12297	1.1
164.04124	1.2
165.04318	4.4
166.01755	2.3
167.00194	1.6
169.00171	7.6
169.01697	1.9
170.04976	0.7
170.99625	7.9
172.94298	3.5
173.01172	0.8
174.00737	0.8
175.02765	2.2
176.93764	1.2
177.00668	1.9
177.04294	1.1
179.02248	7.8
182.03346	0.8
184.02824	2.1
185.01183	18.8
185.02809	1.2
186.99107	0.9
187.02751	2.6
189.00676	17.8
190.95357	8.1
190.98753	1.0
191.02298	1.6
191.03885	1.5
194.94894	0.8
201.00696	1.4
202.95551	0.7
203.02232	11.0
205.00165	1.3
205.03841	1.5
207.01665	3.1
208.14374	0.7
208.96361	3.3
209.03201	0.7
212.02156	0.7
213.00565	4.0
214.95370	1.5
219.01730	1.3
221.03242	1.2
223.01193	1.3
226.15459	1.9
230.03384	1.5
231.01688	6.8
232.96429	7.9
248.95914	2.1
248.99020	3.6
249.02788	51.2
250.97478	4.9
254.10173	3.0
254.14940	1.2
267.00818	1.8
267.03836	58.9
268.04260	0.8
272.04245	7.1
272.11237	25.4
272.15677	5.0
285.04880	23.8
289.95380	0.8
289.98529	0.9
290.05341	4.8
290.96930	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	272.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	100.0
57.03426	0.9
57.07044	1.0
61.02917	1.3
65.03911	1.1
67.05489	1.3
69.03428	2.0
70.06582	2.8
70.98096	1.0
71.34659	1.0
71.34991	1.1
71.95255	1.2
72.08120	0.9
73.02911	1.2
74.97592	18.3
79.05482	1.4
81.03413	0.8
81.07044	1.7
83.06094	1.4
84.08115	1.4
84.10209	0.8
84.96021	3.7
85.02910	3.9
86.97579	2.6
89.03913	2.1
92.05003	8.6
92.98646	2.7
94.06520	1.2
95.04957	1.1
95.06081	1.6
97.02863	1.9
98.97581	5.7
106.02885	1.0
107.04950	1.3
107.20898	0.9
110.06035	12.2
110.07146	10.2
114.97037	1.4
116.07091	0.7
116.98615	5.5
117.03347	2.2
119.04939	1.1
123.04432	2.0
124.03934	15.8
124.99107	9.8
127.00681	1.6
128.98611	1.5
129.02211	7.7
130.08627	1.0
131.00148	1.3
132.98074	5.3
134.99680	1.8
135.04408	6.0
137.40497	0.9
139.04962	1.4
140.03456	6.4
140.05365	1.7
143.00145	37.3
145.01735	1.2
145.02852	1.6
147.03276	29.8
150.99124	33.6
156.07710	1.7
157.01735	1.6
158.99591	1.4
159.03278	2.4
161.01196	40.3
162.99150	1.6
163.03883	10.4
164.04190	1.3
165.04347	13.4
166.01749	1.4
167.00186	1.3
168.03586	1.2
169.00182	16.4
169.01567	0.7
170.04811	1.1
170.99606	6.0
174.00697	2.1
174.04346	2.0
175.02759	1.0
175.12041	0.8
177.00781	1.1
177.04312	1.0
179.02235	5.5
184.02751	2.0
185.01186	9.2
186.04395	2.5
187.02777	1.1
188.05949	1.1
189.00706	7.9
191.02313	1.9
203.02220	5.7
204.05435	2.3
204.36424	0.9
205.03792	1.8
207.01787	1.9
208.14474	2.2
209.03297	3.0
213.00665	2.4
219.01755	1.0
223.04823	2.1
226.15494	1.8
231.01672	4.2
237.02827	1.3
239.45813	0.9
240.44514	1.0
249.02776	38.0
254.15001	1.5
267.03839	38.8
272.04224	5.4
272.06482	1.2
272.07047	1.7
272.11343	3.5
272.15915	8.6
285.04883	11.5
290.05472	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	272.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01856	0.4
55.05494	0.6
56.96553	32.7
57.03422	0.6
61.02913	0.4
65.03900	0.5
67.05470	0.5
67.74555	0.4
69.03396	1.0
70.06569	4.1
71.95233	0.5
72.08131	0.5
73.02872	0.9
74.97593	4.6
75.59222	0.4
78.03420	0.7
79.05454	0.6
80.04649	0.3
80.05005	3.4
81.07037	0.7
84.08102	0.7
84.96005	1.2
85.02874	1.7
86.09680	0.9
86.43439	0.5
86.97574	0.8
89.03886	1.0
91.05486	0.5
92.05000	4.2
92.05531	0.7
92.98611	0.5
94.06546	0.7
95.04958	0.9
95.06066	1.0
96.04467	3.0
97.02882	0.6
97.99187	0.4
98.21492	0.9
98.85786	0.5
98.97523	2.1
101.59248	0.4
102.97027	0.6
106.02888	3.8
107.04920	1.4
110.06029	5.5
110.07116	2.8
111.04382	0.5
116.07027	0.9
116.98598	1.5
117.03313	0.7
119.04883	2.2
123.04385	2.1
124.03925	100.0
124.99071	3.5
125.04257	1.0
127.03895	0.5
127.08672	0.7
129.02214	1.2
131.00186	0.6
132.98073	1.1
133.80190	0.4
134.99640	1.4
135.00664	0.4
135.04381	1.5
140.03436	1.1
141.02248	0.5
143.00127	14.9
145.01653	1.0
145.02800	0.8
147.03265	8.3
147.04404	0.6
149.01173	0.7
149.02277	0.9
150.99100	8.0
151.03893	0.5
152.98529	0.5
158.06760	0.5
158.99693	0.5
159.03307	1.2
161.01189	21.3
162.99118	0.5
163.03867	5.6
164.04205	0.5
165.04315	3.3
166.01721	0.6
169.00179	5.6
170.04869	0.7
170.99614	2.0
175.02693	0.5
177.04327	0.7
179.02159	3.0
184.02838	1.4
185.01169	4.1
189.00668	4.5
191.02223	0.6
196.06090	0.8
198.06419	0.5
203.02283	2.6
205.03825	0.5
207.01846	1.2
209.03221	0.5
213.00694	1.0
219.01828	0.7
226.15553	0.7
230.05362	0.7
231.01624	2.0
244.06816	0.7
249.02765	15.2
254.06633	0.6
254.15100	0.8
255.06465	0.6
267.03818	16.0
272.04437	1.2
272.07660	16.1
272.10965	1.0
272.15912	3.2
273.07581	0.6
285.04877	6.4
290.05515	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11192	0.4
54.21755	0.5
58.91168	0.4
65.03915	0.4
67.05487	1.0
68.99765	0.8
70.23978	2.0
79.05470	1.0
81.07034	1.0
91.05463	1.2
92.05813	0.5
93.07005	0.9
93.08674	0.4
95.08570	0.9
96.60497	0.4
105.07007	0.9
107.08616	1.0
109.10130	0.8
110.06026	0.6
121.10133	0.8
122.10461	0.7
129.06911	0.4
131.08598	0.9
133.10081	0.5
134.10455	0.9
141.06985	1.3
144.05644	0.6
145.10077	0.8
146.10399	0.7
147.11659	1.1
148.12001	0.6
149.75093	0.4
153.06969	0.8
154.07262	0.5
155.08473	0.8
156.08939	0.5
157.10130	1.1
158.07228	1.0
158.10460	1.9
159.07979	2.3
159.11636	0.8
160.11995	1.3
165.06973	1.4
168.05684	1.4
169.06238	1.7
170.07130	0.9
171.08018	0.6
172.12097	0.6
173.09605	1.0
181.06424	1.3
182.07320	2.2
183.08025	4.2
184.08389	2.0
184.12006	0.6
185.05954	0.7
185.09578	1.0
186.06554	1.6
187.07529	2.3
193.06429	0.6
195.08029	1.8
196.05217	2.8
197.05908	3.4
198.06615	3.8
198.13484	0.5
200.08247	0.8
201.09065	17.7
208.05222	0.7
210.06622	0.4
211.07489	12.7
212.07954	6.2
212.15028	0.8
213.05492	1.0
213.09059	8.1
213.15965	0.4
214.06154	4.6
215.07047	0.6
221.72108	0.5
223.07520	1.1
224.04640	2.2
224.08331	1.2
225.05266	1.2
226.06143	0.5
226.09488	1.3
226.16837	0.5
227.06822	0.7
228.07625	1.2
229.08525	15.2
239.06993	26.4
240.07460	5.7
241.08470	4.7
242.05713	1.8
243.10062	1.5
244.10724	6.9
249.62984	0.4
254.09317	4.7
254.19794	4.9
255.10112	6.1
256.07230	0.6
257.08023	19.1
271.09628	1.2
272.10364	100.0
272.20859	3.6
273.10809	2.4
294.72919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1125
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.58164	0.4
55.01845	0.4
56.96562	2.4
57.03432	0.9
61.02917	1.1
65.03932	5.9
69.03413	2.2
70.09308	0.7
70.09718	1.1
71.04945	0.3
73.02903	0.8
80.05011	1.0
81.03395	0.5
85.02892	7.4
87.04430	0.8
90.92481	0.3
92.04988	60.6
93.05246	0.6
93.05777	5.8
94.06553	9.2
97.02317	0.3
97.02898	1.8
98.20773	0.4
98.97590	1.3
99.04388	0.5
103.03945	0.5
103.10288	0.3
109.02860	0.8
110.06023	100.0
111.06379	1.0
112.54241	0.3
112.99101	0.5
116.98627	0.5
124.99098	0.4
127.03893	2.3
131.00145	0.5
143.00136	0.7
145.04927	0.7
147.03270	0.5
152.07031	3.1
161.01186	0.7
169.04367	0.7
170.94218	0.4
176.07092	0.6
178.04922	3.0
178.55072	0.5
190.95445	0.4
212.09201	0.8
232.96559	0.4
248.99203	0.9
249.02780	0.7
254.10158	3.3
267.03903	1.0
271.34082	0.3
272.11243	34.3
273.11551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
50.98751	0.7
53.03936	1.6
65.03922	1.5
65.95689	0.6
67.05498	1.6
68.99781	3.5
70.21714	2.3
71.01341	0.9
79.05504	0.8
81.03418	1.0
83.04992	0.9
91.05464	8.4
95.04957	23.4
97.80270	0.6
104.41277	0.6
105.04523	0.9
105.07030	1.9
107.04939	30.3
107.23912	0.7
111.04449	0.8
114.19179	0.7
117.06969	0.9
119.04926	100.0
120.05240	1.8
121.02844	7.9
123.04411	58.9
124.04756	1.2
127.03900	0.9
129.07037	0.8
133.06476	7.3
134.44162	0.7
135.04385	1.1
139.03876	7.0
139.57721	0.6
141.06946	2.2
145.06473	2.6
147.04387	18.1
149.02315	23.7
151.03874	18.2
157.06424	1.5
161.05914	3.2
167.03412	1.0
169.06490	3.4
171.04382	2.3
173.01430	0.7
179.03368	1.5
181.06422	1.2
185.06003	2.1
187.07571	1.4
189.05487	2.5
192.08516	0.7
197.05872	3.8
199.07495	1.8
199.57928	0.7
201.05525	1.5
213.05368	0.8
215.07005	23.3
216.07367	0.8
225.05499	0.9
227.07066	1.7
231.06488	1.2
242.05750	1.5
243.06499	23.5
245.08054	6.5
255.06462	5.5
273.07535	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	273.0752
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02374	0.4
53.03940	1.0
55.01851	0.4
65.03929	0.6
67.05486	1.0
68.99764	2.9
71.39598	0.8
73.89996	0.4
77.03918	1.1
77.62497	0.4
79.05486	0.5
80.25417	0.4
81.03390	0.5
89.03875	0.4
91.05463	1.9
95.04956	6.7
105.03380	1.8
105.06989	0.4
107.04942	6.8
111.00794	1.9
111.04430	0.8
113.54806	0.3
119.04926	17.6
121.02843	1.3
123.04411	100.0
123.89303	0.4
124.04735	1.0
127.03797	0.5
131.08592	0.4
133.06477	1.6
135.04391	7.4
136.05179	0.6
139.03836	2.8
139.42587	0.4
141.06989	0.5
145.06480	1.2
147.04390	6.5
149.02318	4.7
151.03879	4.3
153.07008	0.7
157.06477	1.0
161.05989	1.6
163.03885	9.0
163.05159	0.7
163.07510	1.3
169.06450	0.9
171.04384	0.8
181.06473	0.8
185.05959	0.4
189.05457	2.8
197.05928	0.6
199.07558	1.4
203.07001	0.7
213.05379	0.4
215.07028	4.0
227.06958	1.1
231.06432	0.7
243.06505	3.4
245.08049	2.0
255.06516	3.0
273.07541	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	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
52.08623	0.3
53.03934	0.6
57.44820	0.3
65.03911	0.8
67.01850	2.5
67.05484	0.7
67.99777	0.3
68.99764	2.2
69.03413	2.0
79.05466	1.0
81.03418	0.3
83.01327	0.4
83.04948	0.5
91.05467	7.5
93.06999	0.4
95.04956	4.0
97.02871	1.1
103.05417	0.3
105.06995	1.1
106.96620	0.4
107.04940	6.9
109.02818	0.4
109.10103	0.5
111.00752	0.6
111.04418	0.4
115.05401	0.3
119.04922	23.5
119.08543	0.4
121.02820	1.9
121.06492	1.4
123.04412	9.3
133.06439	0.5
135.04402	1.1
135.07997	0.5
137.02348	0.4
139.03883	0.5
139.07501	0.4
141.06955	0.4
142.07704	0.4
145.06427	0.3
147.04382	43.8
148.04692	1.0
149.02333	2.0
149.05888	0.5
150.06738	0.4
151.03854	2.2
151.07483	0.7
152.06155	0.4
153.01799	100.0
154.02118	1.7
157.06422	0.4
161.05954	0.6
163.89197	0.3
165.09103	0.6
169.06450	0.5
171.02867	5.4
171.04240	0.5
179.03351	0.9
181.06456	0.5
189.05466	1.1
197.05841	0.6
200.13794	0.4
201.05463	0.5
203.34560	0.4
213.09004	0.4
215.07024	1.5
227.03185	0.3
231.06480	0.5
236.79527	0.4
241.08583	0.6
243.06528	1.9
245.04420	0.4
245.07918	0.6
245.12878	0.6
255.06511	1.2
273.07529	78.8
274.07819	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01870	0.7
55.05500	0.8
65.03910	0.5
67.01855	5.0
67.05470	1.0
68.99777	3.6
69.03417	2.3
69.07058	0.8
69.76951	2.0
71.04986	0.4
73.02911	0.3
77.48597	0.3
79.01814	0.4
79.05478	0.8
81.03413	0.7
81.07040	1.9
83.01320	0.6
83.08601	0.4
85.02881	0.4
91.05467	7.7
93.07033	1.0
93.47225	0.3
95.04951	3.5
95.08604	2.0
97.02875	1.5
105.06999	1.7
107.04950	3.7
107.08582	1.1
109.10123	0.8
111.00804	1.0
119.04928	21.7
119.08556	1.1
121.02831	1.1
121.06482	1.2
121.10097	0.4
123.04414	8.9
123.11700	0.5
124.28910	0.4
125.02312	0.8
125.09589	0.3
129.01794	0.8
129.07028	0.3
131.08525	1.3
133.06464	0.6
133.10121	1.0
135.07991	0.5
135.11594	0.6
141.07004	0.4
145.10112	0.4
147.04388	38.9
147.11612	0.5
148.04715	0.7
149.02281	1.0
149.05966	0.5
151.03880	1.3
151.07567	0.4
153.01802	100.0
154.02141	1.2
157.06444	0.5
157.10072	0.6
159.08025	0.4
159.11647	0.5
161.05971	0.5
161.09668	0.4
163.03955	0.6
171.02863	20.5
171.11774	0.6
172.51263	0.4
173.13188	0.4
179.03407	1.9
181.06461	0.9
185.13281	0.9
187.14940	0.6
189.05463	1.1
199.14923	0.4
213.05530	0.4
213.09096	0.5
215.06950	0.8
217.04945	0.6
227.11295	0.4
241.08556	0.7
243.06479	0.9
245.04349	0.8
255.06551	0.8
255.17450	0.5
271.10880	0.4
273.07544	68.0
273.18527	1.3
273.22089	1.5
273.25449	0.6
274.07831	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	273.0752
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03924	0.3
55.01860	0.5
55.05490	1.3
56.96555	0.3
57.99550	0.3
65.03924	0.8
67.01852	2.8
67.05512	1.4
68.67572	0.3
68.99780	1.8
69.03408	1.9
69.07050	1.9
69.35668	3.8
70.67606	0.3
71.04954	0.3
79.05463	1.4
81.03392	0.3
81.07040	3.6
83.01320	0.5
83.04978	0.4
83.08604	0.8
85.06528	0.3
85.61996	0.3
91.05463	9.1
93.07027	2.7
95.04954	3.1
95.08594	3.3
97.02866	1.4
97.10143	0.6
105.07009	2.9
107.04949	3.6
107.08566	2.2
109.10140	2.4
111.00776	0.8
111.04433	0.3
119.04922	19.6
119.08555	2.1
121.02828	0.8
121.06499	0.8
121.10124	1.5
123.04408	5.9
123.11684	1.4
127.03919	0.4
129.06949	0.4
131.08540	1.1
133.10091	1.1
135.04439	0.5
135.08049	0.6
135.11652	1.3
136.18282	0.3
137.13220	0.5
143.08524	0.8
145.06358	0.5
145.10100	0.8
147.04381	43.3
147.11679	1.2
148.04747	0.6
149.02405	0.5
149.09712	0.3
149.13237	1.1
151.03912	1.3
151.07529	0.4
153.01799	100.0
154.02100	1.5
157.06500	0.7
157.10112	0.6
159.07918	0.3
159.11688	0.9
161.05969	0.4
161.13229	1.2
163.14809	1.1
170.07124	0.3
171.02879	4.1
171.08090	0.4
171.11638	0.7
173.13208	0.3
175.14833	0.9
177.16344	0.6
179.03381	0.7
180.61478	0.3
181.06461	0.6
185.13249	0.5
189.05392	1.1
199.14828	0.4
203.17885	0.6
207.06458	0.5
213.12650	0.3
215.14287	0.4
217.12263	0.4
217.19528	0.7
227.10678	0.4
231.06512	0.3
241.08527	0.5
253.87064	0.3
255.06459	1.2
255.17538	0.4
255.20834	0.8
258.08795	0.4
273.07532	68.0
273.18692	2.0
273.22049	1.3
273.25571	3.1
274.07941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01862	0.5
55.05493	0.7
56.19453	0.3
65.03921	0.6
67.01854	2.6
67.05483	0.8
68.99770	1.3
69.03414	1.8
69.07051	0.9
69.37461	2.4
69.37888	1.3
71.04980	0.4
75.81738	0.5
79.05475	0.8
81.07033	1.0
83.01341	0.4
83.04944	0.3
84.24796	0.3
91.04912	0.7
91.05460	7.5
93.07016	1.0
95.04961	3.1
95.08586	1.3
97.02869	0.9
97.67606	0.3
98.21509	0.7
105.07014	1.6
107.04936	8.0
107.08558	1.1
107.43048	0.3
109.06490	0.9
109.10146	0.7
111.00784	0.9
111.04382	0.4
111.81725	0.3
115.05421	0.3
117.06977	0.8
119.04922	21.7
119.08543	1.1
121.02827	2.3
121.06475	0.7
121.10131	1.0
123.04404	5.6
128.06216	0.6
129.06955	0.6
131.08536	0.9
133.06490	0.6
133.10089	0.8
135.07974	0.5
135.95937	0.4
139.03844	0.4
142.07790	0.5
143.08485	0.7
145.10078	1.5
147.04379	43.1
147.11714	0.5
148.04694	0.7
149.02303	0.4
149.09538	0.4
151.03859	1.3
151.07535	0.6
153.01797	100.0
154.02115	1.4
155.06981	1.0
155.08470	0.4
156.09265	0.7
157.06490	0.4
157.10080	1.3
159.11671	0.6
161.13182	0.5
165.05461	1.9
165.06717	0.4
169.10078	1.1
171.02861	2.7
171.11661	1.2
173.09583	1.1
173.13208	0.4
175.11214	0.5
179.03357	0.6
181.06268	0.3
181.10092	0.7
181.40485	0.3
182.10890	0.3
183.11794	0.4
185.13205	0.5
189.05424	1.0
190.86220	0.3
197.13144	2.0
199.11055	0.8
211.14894	0.7
213.16380	1.4
215.06976	0.7
215.14401	0.4
227.14189	0.3
231.06517	0.6
241.08415	0.5
243.06522	0.5
245.08208	0.4
255.06471	0.9
255.17412	2.5
255.20872	0.4
273.07535	76.7
273.18384	4.6
274.07886	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	273.1115
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
55.01870	0.4
55.05501	1.4
57.03425	0.5
57.07062	0.6
57.46101	0.3
65.03930	2.6
67.01835	0.4
67.05489	1.7
68.99779	0.6
69.03419	0.6
69.07050	1.4
70.94898	0.9
79.05473	2.8
81.03391	1.1
81.07043	3.3
83.04975	0.6
83.08601	0.4
84.04481	0.9
85.02866	0.8
87.00785	0.5
91.05460	100.0
92.05778	0.8
93.07014	2.5
95.04931	2.6
95.08593	2.5
97.02894	0.5
97.10158	0.6
99.04409	0.7
103.05451	1.6
105.01838	0.4
105.07006	84.5
106.07356	0.9
107.04919	1.6
107.08578	2.7
109.06515	0.7
109.10136	1.6
111.04399	0.9
115.05432	5.1
119.04907	3.5
119.08557	2.2
121.02834	0.8
121.06472	0.9
121.10120	2.3
123.04398	3.6
123.11675	0.9
125.02281	0.6
127.03894	0.7
129.06979	1.5
131.08539	0.6
133.06465	11.1
133.10083	1.2
135.08037	1.3
135.11684	1.0
137.05949	1.4
141.05429	10.6
143.08572	0.7
144.74535	0.4
145.06410	0.5
145.10086	1.2
146.09601	0.7
147.04373	1.0
147.07983	0.4
147.11658	1.1
149.02307	0.9
149.13206	1.1
151.03894	0.9
151.07515	1.7
153.05461	2.5
153.06657	0.4
157.06450	2.7
157.10092	1.3
159.11690	0.8
161.09593	0.5
161.13240	1.1
163.14760	0.7
164.07001	1.0
165.05447	1.3
165.06866	0.7
165.09160	0.5
167.03398	2.2
167.08521	1.0
169.04935	4.1
171.11658	1.2
173.13242	0.5
175.11075	0.5
175.14786	0.5
177.05475	1.7
177.06779	0.5
181.06523	0.8
182.07164	0.5
185.09657	0.6
185.13261	0.6
189.16362	0.5
195.06473	0.5
195.08008	1.1
197.09595	0.6
199.11137	0.8
201.16408	0.8
203.17813	0.5
209.09540	0.4
213.08977	1.1
217.19524	0.5
223.07436	0.5
227.07002	0.5
227.10667	0.8
227.14200	0.5
231.06409	0.5
238.91019	0.3
240.07664	0.5
241.08499	1.6
243.06499	0.7
255.10135	4.4
255.17390	0.8
255.20750	0.8
273.03824	0.7
273.07550	2.0
273.11105	14.6
273.14771	0.9
273.18552	2.6
273.21896	1.7
273.25574	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	273.1118
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
53.03927	1.4
55.01866	11.4
55.05508	0.9
55.08480	0.8
57.07070	2.8
60.33128	0.8
65.03925	1.0
66.51617	0.9
70.06592	4.4
71.67408	0.9
71.67833	1.3
79.05474	2.2
81.07043	1.3
86.06058	1.0
88.07604	3.3
91.05466	2.3
95.04948	3.4
105.07018	2.7
106.08655	1.2
107.04936	23.8
111.04419	2.6
119.04913	8.8
121.02857	19.8
121.06489	2.6
122.03625	1.2
123.04407	5.9
128.06267	1.1
129.07053	1.5
131.08481	1.6
133.06563	1.4
135.08038	3.9
141.06944	1.1
145.10167	1.0
147.04309	1.7
147.37157	0.8
149.02316	1.5
151.03941	1.4
151.07544	6.6
152.06224	3.4
153.01823	1.4
153.06996	4.0
154.07738	1.4
155.06998	2.9
155.08359	1.0
158.07231	1.5
161.09706	1.0
165.05479	5.6
165.06953	4.6
165.09088	2.1
167.08495	1.7
169.06488	2.1
170.07213	4.8
171.08038	17.9
171.11548	0.9
177.07001	1.0
180.05719	3.7
181.06453	19.7
182.07237	4.5
183.08067	3.4
185.05995	1.6
185.09644	3.4
195.08029	23.1
197.05936	3.1
198.06735	10.0
199.07552	1.4
208.05202	3.7
209.06000	5.5
210.06718	3.2
213.09068	30.3
214.09332	1.2
215.07086	1.3
223.07550	4.5
226.06197	17.2
227.07063	1.8
240.07721	0.9
241.08568	100.0
242.09077	1.8
245.08000	1.0
255.25043	3.2
256.26328	1.3
273.04309	0.8
273.07797	1.6
273.11157	13.8
273.14517	1.9
273.18549	1.9
273.22079	1.4
273.26089	3.3
274.27405	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1116
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
55.01862	2.8
55.05493	1.9
58.57051	1.9
66.51261	1.7
69.50761	3.7
69.51163	11.8
91.05465	4.8
95.04942	6.0
105.07001	2.8
107.04942	15.7
119.04926	16.0
121.02879	2.0
121.06404	2.0
123.04422	12.8
139.07449	2.4
147.04362	2.5
149.02364	4.7
150.41901	1.7
151.07500	2.8
152.06177	5.5
152.08269	3.9
153.06938	8.0
155.08482	2.1
161.05916	7.7
165.06984	10.5
166.08662	3.4
167.07060	3.4
167.08496	3.0
169.06462	4.6
170.07269	6.2
171.07977	3.9
177.06796	1.5
180.05733	4.4
181.06462	31.3
182.07234	6.3
182.19952	1.9
183.08061	6.1
185.09552	2.7
185.80016	1.6
195.08014	17.6
196.08838	8.9
197.05966	10.9
198.06741	13.4
199.07530	3.3
209.05936	11.5
210.06731	6.0
211.07570	3.1
212.08301	14.9
213.09087	29.1
215.06973	9.3
223.07469	7.5
224.08298	4.7
225.05473	3.3
225.09053	2.4
226.06215	13.1
227.07043	11.4
227.10631	15.1
230.09274	2.1
240.07730	4.9
241.08583	87.5
242.09348	26.1
243.06593	8.6
245.08041	1.8
245.11639	4.3
255.10130	40.3
257.07907	1.9
258.08875	13.1
272.29404	2.1
273.11179	100.0
273.18561	5.3
274.11774	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	273.1117
Annotation	4'-Hydroxy-5-methoxy-3,4-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
50.09933	0.3
53.03927	1.4
53.98078	0.4
55.01848	0.4
55.05523	0.3
65.03934	1.6
67.01850	0.8
67.05493	0.4
68.99773	0.9
69.03423	0.7
79.01842	0.4
79.05475	4.1
81.07017	0.4
85.42449	0.3
85.68901	0.4
91.05470	3.3
92.02611	0.6
93.03384	0.5
93.07024	0.4
95.04948	4.0
95.08576	0.5
105.04498	0.7
105.07051	0.6
107.04939	100.0
108.05289	0.7
109.06507	1.6
109.10162	0.4
111.04442	4.4
117.06986	0.4
119.04929	6.5
121.02853	26.0
121.06495	0.5
121.10062	0.4
122.03635	8.3
123.04446	2.0
125.05970	2.3
135.04401	0.5
135.08022	0.5
139.07538	1.4
145.10123	0.5
147.04388	13.9
151.03804	0.5
151.07527	6.5
153.01805	30.5
155.07011	12.3
155.08308	0.4
157.10178	0.4
165.05460	32.4
171.02884	0.9
171.11670	0.4
173.13110	0.4
194.63065	0.3
215.07069	0.5
225.05582	0.5
229.26932	0.5
243.06691	0.4
244.48615	0.4
273.07593	23.5
273.11203	14.9
273.14163	0.7
273.18518	1.3
274.07849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	4'-Hydroxy-5-methoxy-3,4-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.02375	0.5
53.03934	1.7
55.01854	1.4
55.05502	0.7
57.03445	0.4
65.03918	1.3
67.05490	1.5
68.82597	0.4
69.03400	0.5
69.41515	2.8
69.41940	1.3
77.03905	0.6
79.05490	3.6
81.03406	0.7
81.07031	1.1
83.04962	0.9
89.39532	0.4
91.05473	2.7
93.07001	1.0
94.04166	0.7
95.04959	7.5
95.08582	1.3
105.04490	0.6
105.07014	1.3
107.04938	100.0
108.05258	0.7
109.06514	1.8
109.10146	0.7
111.04423	4.0
117.07020	0.9
119.04926	12.0
119.08561	0.9
121.02850	23.6
121.06469	1.6
121.10139	0.6
122.03635	6.7
123.04414	8.5
123.08088	0.5
125.05967	2.5
127.03899	0.5
128.06252	0.5
129.06978	0.8
131.08540	1.4
133.06480	1.1
133.10075	0.7
135.04398	0.9
137.05936	1.0
139.07518	1.6
143.08575	0.6
145.06464	0.5
145.10086	1.3
147.04378	1.3
147.08012	1.0
149.02347	3.2
151.03868	2.8
151.07512	7.4
153.01810	0.9
155.07008	15.2
155.08311	0.7
157.06509	0.6
157.10062	0.8
159.11679	0.7
161.05977	0.6
161.09624	0.8
161.13409	0.4
165.05452	31.0
166.82376	0.4
169.06483	0.5
171.11574	0.5
179.06924	0.4
181.06430	0.9
182.07231	0.5
195.08057	0.5
199.07634	0.5
201.05431	0.6
211.07332	0.4
213.09024	1.5
215.07005	3.1
225.05431	0.8
227.10643	0.5
240.07838	0.5
241.08623	2.0
243.06430	2.8
245.08072	1.0
255.17424	0.9
255.19992	0.6
273.04141	0.6
273.07620	1.4
273.11169	17.3
273.14230	0.9
273.18518	4.7
273.21262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	2,4-Dihydroxy-6-phenethyl-benzoic acid methyl ester
Peak:m/z	Relative Intensity
53.03931	0.9
55.01864	14.3
55.05506	5.1
57.03415	0.7
57.07058	1.3
57.31222	0.6
62.35700	0.6
67.05492	7.1
68.99769	0.9
69.03407	0.9
69.07056	10.4
71.70197	0.8
71.70558	0.9
79.05479	4.1
81.07043	16.6
83.04934	0.7
83.08613	3.4
85.02864	0.9
91.05487	3.7
93.07034	10.8
95.04942	2.7
95.08592	15.5
97.10124	1.9
105.06997	8.1
107.04946	3.5
107.08585	13.8
109.10143	12.0
111.11734	0.8
117.07027	1.3
118.82126	0.7
119.04922	7.7
119.08575	5.8
121.02850	1.2
121.06516	0.8
121.10134	10.6
123.04391	6.8
123.08007	0.6
123.11682	6.7
128.06203	1.6
129.06976	1.2
131.08484	1.9
133.06496	1.0
133.10097	5.2
135.08034	0.6
135.11665	7.7
137.09549	0.8
137.13211	2.9
141.06963	0.7
142.07738	1.1
145.06429	0.6
145.10069	2.1
147.04387	1.2
147.10779	0.5
147.11696	4.9
149.02304	2.5
149.05949	0.7
149.13232	9.2
151.03876	1.8
151.14891	0.8
152.06168	4.8
153.01831	0.7
153.06956	4.1
155.04900	0.6
155.08525	1.4
157.06485	0.8
157.10086	1.2
158.07164	1.4
159.08029	0.7
159.11783	1.3
161.13261	5.2
163.14821	7.9
165.06938	5.1
167.08528	1.4
168.05714	0.7
169.06454	1.4
170.07245	4.1
171.08018	18.7
171.11725	1.3
173.13231	1.3
175.14815	2.6
177.16360	4.2
180.05695	3.0
181.06451	19.8
182.07251	5.6
183.08067	3.9
184.05219	1.1
185.05936	1.7
185.09637	3.9
185.13243	0.8
187.14798	0.9
189.16377	3.0
191.17899	2.5
194.07202	0.8
195.08028	20.9
196.08376	1.0
197.05957	2.8
198.06726	8.5
199.07472	0.9
199.14781	1.0
203.17932	3.5
208.05171	3.7
209.05946	7.2
210.06712	5.3
213.09081	29.0
214.09326	0.7
215.06982	1.8
217.19542	5.1
223.07469	5.5
224.08165	1.2
226.06226	20.3
226.78365	0.7
227.06830	0.9
227.17833	0.7
231.21066	1.2
239.79083	0.8
240.07776	1.3
241.08562	100.0
242.08897	2.6
243.06557	2.1
255.06569	0.7
255.17513	1.0
255.20470	0.8
265.46625	0.7
273.03830	1.8
273.07617	1.9
273.11172	7.7
273.14481	1.0
273.18417	3.7
273.21988	3.1
273.25708	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	273.148
Annotation	3,3',5-Trimethoxybibenzyl
Peak:m/z	Relative Intensity
53.03934	1.8
55.01846	0.9
59.10173	0.4
63.20580	0.5
65.03915	0.7
65.05612	0.5
77.03931	0.9
78.04698	0.6
79.05481	25.7
91.05464	8.6
91.06022	0.7
93.07024	0.8
94.04228	0.6
94.21799	0.5
95.04944	5.0
95.42303	0.5
98.20706	0.9
103.05451	21.3
105.07014	81.0
106.07356	1.3
107.04945	1.3
107.08580	1.4
108.05746	0.6
109.06500	1.6
118.04175	0.9
119.04948	1.6
120.05701	12.4
121.06487	47.2
122.07225	0.6
122.67162	0.6
123.04399	1.0
123.08047	2.2
133.06483	1.8
135.08031	100.0
136.08389	1.5
137.05978	1.1
138.60785	0.6
139.07507	4.8
149.07079	1.0
150.06729	7.3
151.07516	65.3
152.08310	5.6
165.09094	56.2
166.09406	1.2
195.08095	0.6
199.11087	3.1
229.26952	0.7
241.12271	3.7
273.14819	69.1
274.15207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2571
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05504	19.9
57.07072	7.0
62.40043	3.2
67.05495	31.5
69.07054	37.5
69.47054	17.7
69.47485	10.8
79.05485	14.8
81.07040	71.0
83.08597	12.7
91.05460	17.9
93.07026	36.8
95.04943	4.0
95.08586	74.1
95.09191	4.4
97.10150	10.8
98.21457	6.6
103.05413	2.7
105.07007	41.1
107.07904	4.9
107.08571	53.8
109.10139	53.7
111.11707	3.8
119.08551	25.4
121.06477	5.8
121.10123	52.7
123.04452	3.3
123.11691	38.1
133.10136	18.9
135.08031	9.2
135.11678	32.2
137.13206	12.6
145.10094	2.8
147.11670	20.4
149.13234	56.0
151.07515	6.5
151.14806	8.4
153.01788	4.0
161.13248	32.0
161.96745	3.3
163.14796	25.4
165.09137	6.6
175.14798	13.9
177.16327	21.8
183.66614	2.8
189.16402	24.7
191.17917	7.1
203.17891	18.7
217.19472	24.1
225.19438	2.9
273.07486	4.9
273.14767	11.8
273.18640	3.5
273.25729	100.0
277.96289	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	274.9747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	16.8
71.50500	3.2
71.95252	4.9
85.07403	2.0
98.97567	100.0
101.00850	5.2
103.02383	2.1
113.24897	1.7
116.98602	67.2
118.69721	1.7
119.01900	35.9
130.06860	1.9
134.99643	30.8
137.02893	10.9
140.00195	2.9
143.01880	2.9
145.03441	15.0
153.00688	4.2
157.03302	2.8
158.01175	2.3
159.05003	7.8
161.02928	2.5
169.03407	7.4
172.94290	3.2
177.06114	2.1
185.02902	4.9
187.04482	16.6
190.95363	7.4
195.04993	2.2
205.05571	2.7
207.03470	3.0
208.96454	2.3
214.95262	1.8
215.04057	4.1
216.98747	2.1
229.05525	8.5
232.96474	6.9
247.06628	4.5
250.97466	2.1
252.96352	3.6
256.96500	6.4
268.94189	2.9
270.93958	2.8
274.97464	63.1
275.06039	12.5
288.92081	5.1
289.64261	2.1
292.98477	39.8
293.06503	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	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	38.0
70.63309	1.5
70.63682	2.2
70.89736	0.9
70.98108	9.0
71.95230	2.7
73.27561	1.1
84.96022	1.6
88.99135	4.0
92.04977	1.4
93.05332	1.1
98.97566	100.0
107.00130	1.4
110.06013	1.5
110.97547	5.5
111.06400	1.0
112.99104	2.5
116.98604	69.9
119.01874	2.1
124.95462	1.8
125.07063	2.1
127.03849	1.5
128.98587	8.6
130.93254	1.7
131.00150	4.7
134.99634	22.4
135.00603	0.8
140.00192	2.0
142.96513	1.2
146.99640	6.5
149.01172	2.2
153.00658	2.0
154.96494	1.2
158.01236	1.6
161.10172	1.0
163.03990	0.8
165.00702	3.6
172.94292	3.6
172.97574	12.7
174.99115	1.5
177.00679	2.0
188.97075	3.5
190.95378	3.7
190.98601	25.2
193.00177	1.4
200.96925	1.0
202.98595	1.2
205.00146	3.0
206.98070	1.0
208.99538	5.4
214.95349	1.6
214.98532	2.0
218.98102	5.3
219.01741	6.5
220.99658	1.8
223.01210	1.3
232.96504	5.6
232.99640	11.5
236.99039	2.0
237.02783	12.7
247.06493	1.0
250.97417	3.8
251.00708	11.1
251.02530	0.9
255.03899	1.2
256.96350	9.6
274.97464	72.3
275.11905	1.0
292.98526	43.4
297.99042	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20917	0.6
56.96555	89.4
69.36272	3.1
69.36700	4.2
69.53191	0.7
70.06568	0.8
70.98106	33.6
71.95245	3.9
74.97599	2.5
84.08160	1.1
84.96035	1.8
85.02913	0.9
88.99147	16.3
88.99670	1.4
97.02872	1.1
97.99194	0.7
98.97564	82.4
101.00833	1.4
107.00163	4.5
110.97549	2.8
112.99099	1.6
116.98601	67.3
119.01920	5.5
125.07085	1.4
128.98581	8.1
130.93285	1.3
131.00151	2.5
131.01929	0.8
134.99637	34.3
135.04393	1.4
137.02954	1.1
139.03952	0.8
140.00204	2.1
142.19040	0.7
143.00154	0.8
145.03427	2.1
146.99620	15.4
149.01193	1.7
153.00687	3.8
154.96458	4.4
155.01851	1.1
156.98093	0.8
158.01204	1.4
158.99600	1.2
161.01126	1.0
163.03854	4.3
165.00677	20.3
169.03419	2.0
170.01251	0.8
171.05011	0.8
172.94385	3.7
172.97562	30.1
173.02943	0.7
174.99149	2.5
177.00694	1.8
183.01718	2.4
186.99109	1.7
187.04512	2.5
188.02209	0.8
188.97070	2.1
189.00716	0.9
190.95377	5.8
190.98601	100.0
193.00206	3.3
195.99063	1.1
197.02960	0.9
200.97057	2.4
203.03833	1.1
205.00163	9.1
206.98103	1.0
208.96448	1.9
208.99652	22.7
214.00171	3.4
214.95412	1.6
214.98579	4.0
215.04016	1.6
218.98099	24.0
219.01599	1.3
220.99666	1.6
221.05034	2.9
223.01172	6.3
229.05519	1.4
230.98473	0.9
232.96388	5.9
232.99651	46.3
236.99120	11.1
237.02794	1.5
241.99878	1.0
247.06595	2.6
250.97566	3.1
251.00679	29.2
252.01404	1.0
256.01227	2.9
256.96350	9.4
269.01685	2.3
274.02197	1.5
274.97467	66.8
275.06024	2.7
275.97549	0.9
292.98508	46.9
297.99084	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	275.0908
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
55.01868	2.9
55.05501	0.6
59.08792	0.4
65.03928	1.2
66.97847	0.4
67.05479	1.3
68.99774	1.4
69.03404	0.7
69.59070	3.0
79.05470	1.0
81.03388	0.5
81.07030	0.7
81.61148	0.4
83.04958	1.5
85.02874	0.9
91.05450	1.8
93.03384	1.5
93.07027	1.8
95.04958	2.7
95.08589	0.9
95.23024	0.5
97.02876	0.5
103.05470	3.5
105.07025	1.3
107.04937	50.4
107.08572	0.5
108.93205	0.4
109.02857	0.6
109.10162	0.5
111.04427	3.6
117.06989	1.6
119.08557	0.8
121.02842	1.9
121.06481	5.6
123.04406	0.8
127.03864	0.7
131.04910	2.4
133.06453	0.6
135.04391	0.8
135.08040	0.6
139.03879	100.0
140.04225	0.7
141.06970	0.9
145.06456	8.6
147.04375	0.7
149.05959	25.2
151.03900	1.2
153.05405	0.6
155.05971	0.5
161.05959	1.8
163.03880	1.2
163.07521	1.6
169.04927	1.9
169.06319	0.6
173.05974	3.2
175.14917	0.4
181.71541	0.4
183.11676	1.3
184.32881	0.4
187.07637	0.7
191.07031	8.3
193.10133	0.7
197.05930	0.5
211.11095	1.1
229.04871	0.9
229.08461	0.5
233.08109	1.6
257.04395	0.6
257.08066	1.2
257.11700	0.6
275.05353	2.6
275.09131	5.4
275.12952	1.3
275.20114	0.9
298.30231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.091
Annotation	Lecanorin
Peak:m/z	Relative Intensity
51.02380	0.3
51.39505	0.2
51.66265	0.2
53.03930	0.9
53.43306	0.2
55.01860	0.5
55.05502	1.9
57.03420	0.3
57.07056	0.3
67.01852	0.3
67.05493	2.0
69.03406	0.5
69.07050	1.2
70.38521	0.8
71.04995	0.4
76.42607	0.2
77.03906	0.4
79.05478	2.7
81.07037	2.8
83.04958	0.8
83.08608	0.5
85.02867	0.5
85.06516	0.2
91.05466	3.5
93.07023	2.5
95.04949	1.5
95.08588	2.5
97.06483	0.5
97.10129	0.3
105.04506	0.2
105.07012	5.7
107.04936	100.0
107.08575	2.6
108.05246	1.2
109.06498	0.9
109.10137	1.3
111.08015	0.3
117.06998	0.5
119.08560	3.3
121.06496	1.1
121.10126	1.4
123.04391	0.6
123.08027	0.3
123.11690	0.4
125.05952	0.3
125.09584	0.2
127.03922	1.4
129.06985	0.2
131.05032	0.2
131.08539	1.7
133.10106	3.0
135.08041	0.8
135.11674	0.9
137.05963	0.8
137.09595	0.9
143.08571	0.5
145.10103	1.8
147.11662	2.7
149.05998	0.6
149.09631	0.6
149.13254	0.5
151.03879	1.6
155.08604	0.4
157.10117	0.5
159.11668	1.3
161.13226	0.6
163.11195	0.6
165.09142	0.3
167.08490	0.2
169.04938	10.7
169.10077	0.3
171.11647	0.4
173.09557	0.3
173.13245	0.4
175.11224	0.2
181.04945	0.3
183.11710	0.8
185.13188	0.4
187.11255	0.3
187.14780	0.7
201.16422	0.5
215.14372	0.3
217.15862	0.3
225.21294	0.2
229.12115	0.3
229.15800	0.4
239.17915	0.4
257.07883	0.2
257.12689	0.3
257.18997	0.8
257.22519	0.4
275.09091	1.7
275.13672	0.3
275.16888	0.3
275.20038	8.6
275.23557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1273
Annotation	3,4-Dihydroxy-3',5'-dimethoxybibenzyl
Peak:m/z	Relative Intensity
53.03932	1.6
55.01863	1.1
55.05493	1.5
57.03423	1.1
57.87608	0.5
65.03937	1.9
67.05497	5.8
68.99789	0.6
69.03410	1.7
69.07050	1.5
69.47898	4.1
71.04967	0.6
72.84479	0.4
79.05018	1.0
79.05482	20.4
80.69150	0.4
81.03410	0.7
81.07044	29.9
83.04973	1.2
83.08609	0.5
85.06541	0.5
91.05467	15.0
92.06240	0.5
93.07027	4.9
94.04180	2.4
95.04950	5.3
95.08596	4.3
97.06503	1.0
97.10128	0.5
103.05452	10.0
105.07016	34.6
106.07325	0.8
107.04942	3.1
107.08583	4.4
108.05727	0.5
109.06502	27.2
109.10133	4.2
111.08015	0.5
113.05951	0.7
117.07019	1.0
118.04153	1.3
119.04942	2.9
119.05757	0.4
119.08579	2.9
120.05702	6.8
121.06496	7.0
121.10141	2.6
122.07277	1.2
123.04410	15.0
123.08031	2.5
123.11694	1.3
124.05164	0.5
131.08557	1.6
133.06462	1.7
133.10146	2.5
135.04395	1.0
135.08038	11.7
135.11670	3.5
137.05956	68.7
137.09503	0.9
138.06528	0.7
139.07530	3.2
145.10086	1.5
147.11653	1.3
149.05949	1.3
149.13264	3.1
150.05611	0.9
150.06746	10.6
151.07524	23.5
152.08319	4.7
153.09085	3.2
159.11671	1.0
161.13266	1.1
163.11174	0.6
163.14870	1.0
165.09093	100.0
166.09428	1.9
173.13229	0.6
175.14719	0.5
177.16371	0.5
201.16400	0.6
219.11263	1.8
227.30569	0.5
229.19559	0.7
231.21086	0.9
243.87779	0.6
257.11783	1.3
257.22446	0.9
275.12744	68.3
275.20038	1.9
275.23541	3.7
276.13071	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	275.1275
Annotation	3,4'-Dihydroxy-4,5-dimethoxybibenzyl
Peak:m/z	Relative Intensity
53.03933	3.7
55.01868	1.6
55.05491	4.3
62.07919	1.4
65.03865	1.3
67.05479	5.4
69.03406	1.8
69.07049	3.2
69.39154	1.6
71.69801	2.3
74.87027	1.7
77.03971	1.5
79.05480	7.4
81.07045	8.7
83.04953	2.7
83.08611	2.0
91.05466	24.9
93.07029	23.7
95.04958	8.3
95.08583	4.6
103.05453	14.6
104.34980	1.4
105.07021	15.2
107.04940	55.2
107.08572	5.6
109.06518	2.6
109.10147	2.3
117.06974	3.5
119.04889	2.1
119.08558	7.4
121.06492	100.0
121.10082	4.3
123.04420	5.8
123.08044	2.6
124.05164	1.5
131.08522	6.1
133.10115	7.4
135.04445	1.5
135.11676	2.9
137.05972	9.4
139.07515	3.3
140.07843	4.6
141.07004	2.0
145.06427	2.4
145.10089	5.5
147.11658	5.2
149.05962	3.7
149.09610	2.0
151.03957	1.7
155.08507	2.1
157.10081	2.1
159.11699	3.8
161.13181	1.5
165.06944	5.7
165.09055	1.5
166.06223	8.1
167.07031	13.2
167.08418	2.8
168.07426	4.5
169.10214	1.5
173.13365	1.8
181.06587	1.8
181.08612	14.7
182.07184	3.8
183.08022	8.8
183.11438	1.6
193.06346	1.6
197.09550	5.8
210.06708	4.0
211.07520	17.2
212.08247	9.8
215.10635	3.6
225.09027	7.1
227.07077	1.6
228.07843	10.0
239.17830	1.7
243.10144	53.7
257.18988	3.1
267.68011	1.7
267.73172	1.7
275.04678	2.7
275.12756	16.4
275.15915	2.4
275.16959	3.0
275.20010	21.1
275.27701	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	275.1272
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	0.8
55.05495	0.9
65.03930	1.5
67.05485	1.7
69.07058	1.0
70.93746	1.1
77.03911	0.5
79.05479	3.8
81.07033	2.9
83.08620	0.9
91.05462	29.5
93.07027	7.2
94.04155	2.6
95.04936	5.3
95.08575	2.3
97.06525	0.5
103.05441	5.1
105.04449	0.7
105.07006	4.4
107.04928	1.7
107.08577	1.3
108.05714	2.7
109.06480	1.4
109.10119	0.8
113.06021	0.5
117.07010	1.1
118.04134	2.1
119.04916	13.4
119.08544	1.9
120.05248	0.5
121.06497	3.3
121.10154	1.0
122.03630	8.0
122.04503	0.5
123.04408	0.5
123.08041	6.3
125.05975	0.6
130.00029	0.5
131.08510	1.2
133.06477	3.2
133.10092	2.1
135.08005	0.5
135.11725	0.6
136.05176	5.7
137.05948	100.0
138.06284	1.8
139.07518	2.2
141.06940	0.4
145.06430	0.5
145.10109	1.2
147.08026	0.8
147.11673	0.9
149.09567	0.7
151.07509	99.1
152.07861	1.8
161.13258	0.6
165.06989	0.8
196.85364	0.4
211.07504	0.8
215.10672	0.7
243.10147	1.9
257.11685	1.0
257.19019	0.7
275.05017	0.6
275.12735	22.9
275.19992	8.2
276.13123	0.7
281.02716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03918	2.9
55.01849	4.3
55.05506	15.0
57.02472	2.0
57.03433	4.6
57.07056	4.8
67.05492	21.1
69.07047	9.4
70.06555	2.3
70.19909	5.6
70.20306	3.2
71.04967	7.0
77.34330	1.8
79.05487	22.0
81.07052	28.4
83.04955	6.6
83.08595	7.5
85.06522	7.0
88.07614	3.8
91.04922	2.8
91.05470	42.1
93.07026	26.9
95.04940	6.2
95.08586	21.2
97.06513	5.2
98.20804	2.0
105.06333	3.9
105.07011	60.0
107.04935	8.7
107.08571	23.4
109.05827	1.9
109.06484	12.7
109.10124	9.5
111.08041	8.8
115.70419	1.9
117.07015	16.1
119.08560	41.6
120.09367	1.9
121.06472	4.4
121.10112	16.3
123.08034	4.1
123.11681	6.1
125.09605	2.5
129.06978	4.0
131.08543	27.5
133.09171	3.0
133.10107	35.3
135.08052	16.4
135.11642	7.0
137.09557	5.8
141.06953	2.2
142.07747	2.6
143.08514	11.2
144.09319	3.4
145.10118	21.6
147.08041	2.6
147.11658	20.5
149.09589	6.6
149.13235	3.1
151.11198	2.0
155.08519	3.3
157.10092	15.9
158.10858	6.2
159.11676	33.3
161.09555	3.1
161.13226	8.0
163.11186	6.1
166.07071	1.7
168.09329	2.2
169.10078	7.2
171.11670	7.5
173.13234	37.6
174.13896	3.3
175.11148	6.2
175.14735	6.4
177.12694	6.5
183.11650	7.9
184.12444	2.7
185.13158	3.2
187.11145	3.7
187.14737	6.6
191.14227	5.3
197.13284	5.8
199.14850	9.6
201.12688	6.2
211.03362	2.0
211.14847	2.2
213.16397	4.3
215.17879	5.7
229.19324	2.4
239.17923	6.4
247.20569	3.5
251.10591	1.9
257.18933	20.2
275.20004	100.0
275.27673	22.1
276.20239	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03930	3.4
55.01863	14.0
55.05502	22.0
55.51090	1.2
57.03424	2.4
62.00457	1.1
67.05495	27.5
67.47775	1.1
68.75759	1.2
69.07066	15.2
70.88232	4.9
71.04978	1.6
79.05020	1.9
79.05479	24.6
81.03375	2.5
81.07041	40.3
83.04960	2.7
83.08596	5.8
85.71561	1.2
91.05463	55.8
91.06039	2.9
93.06442	1.5
93.07024	24.5
95.01303	1.6
95.04946	6.3
95.08585	17.4
97.06512	16.8
97.10153	3.1
101.10717	1.2
103.05424	2.7
105.07011	100.0
107.04940	7.2
107.08578	13.2
109.06490	4.6
109.10131	5.8
111.08092	1.3
114.67351	1.5
117.06996	10.8
119.08562	41.8
121.06474	3.2
121.10134	7.2
123.08037	3.8
123.11713	2.0
125.09621	2.1
129.06976	2.2
131.07646	2.0
131.08549	21.7
133.10103	56.8
135.08009	3.5
135.11656	4.8
143.08553	3.8
145.10124	15.6
147.11650	20.5
149.09576	5.3
149.13225	2.7
151.11047	1.7
155.08499	1.7
157.10118	3.9
159.11699	9.5
161.13266	2.4
163.11105	3.1
165.09097	2.0
171.11736	2.9
173.13205	4.7
175.14825	1.9
177.12714	1.7
179.14209	2.0
183.11694	2.4
185.13138	1.4
187.11032	1.5
197.13190	1.5
198.90154	1.3
200.85201	1.4
201.12582	1.9
229.19415	2.4
239.17882	2.8
244.76465	1.4
247.20509	3.1
257.19000	9.6
275.05219	2.6
275.20029	91.4
275.27689	5.1
276.20303	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	275.2002
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03922	2.3
55.01865	7.6
55.05503	28.5
57.03405	1.9
57.07063	1.0
59.04993	1.4
62.60008	0.7
65.03899	2.5
67.05493	37.9
69.03426	0.9
69.07062	10.1
69.43137	1.6
69.43541	6.7
71.04977	4.5
77.03909	1.4
79.05480	47.8
80.05805	0.9
81.03391	1.4
81.07043	28.8
81.52119	0.9
83.04993	2.0
83.08605	7.5
85.06519	1.6
91.05463	44.4
91.46669	0.9
93.07028	31.5
95.04980	4.8
95.08585	13.0
97.06499	5.2
97.10136	4.2
98.20722	2.0
103.05450	1.9
105.07013	51.0
107.04932	28.8
107.08576	32.7
109.06496	3.1
109.10131	14.2
111.08044	2.0
115.05430	1.5
116.06243	1.0
117.06993	15.1
118.07716	0.9
119.08560	37.4
121.06458	3.1
121.10120	11.3
123.08035	2.2
123.11662	3.7
125.09595	5.1
129.06967	3.9
130.07745	1.6
131.08546	17.9
133.06383	0.9
133.10107	34.9
135.08012	7.4
135.11673	2.8
137.09586	1.0
141.06955	1.0
143.08528	3.9
145.10101	16.3
147.07991	1.3
147.11665	22.2
149.09593	51.0
149.13214	1.2
153.09061	2.3
155.08495	1.7
155.10631	1.5
157.10095	2.8
159.07986	1.0
159.11655	10.2
159.78845	1.0
161.09595	1.2
161.13217	7.8
163.11153	2.5
167.10722	1.0
169.10106	1.7
169.12251	1.2
171.10356	0.9
171.11652	3.5
173.11700	3.5
173.13211	6.4
175.11148	1.7
177.12752	2.1
183.11659	2.2
185.13226	1.2
187.11165	2.4
187.13188	1.3
187.14740	2.0
197.13208	3.4
205.12201	1.5
215.14255	1.2
215.17999	2.3
229.19502	7.8
233.15305	2.3
239.17873	4.2
247.16736	1.0
247.20497	2.5
257.18982	18.0
275.20013	100.0
275.27835	2.5
276.20294	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.29869	0.7
53.03927	1.6
55.01870	3.4
55.05502	12.8
57.03424	1.3
57.07038	1.0
64.13597	0.6
65.03921	0.9
67.05495	19.4
69.03406	2.5
69.07066	11.0
69.43834	6.8
71.04957	2.2
79.05480	19.0
81.03424	0.7
81.07045	22.6
83.04964	5.6
83.08591	3.8
85.06516	1.3
91.05466	36.6
93.07027	20.5
95.04960	5.3
95.08592	13.8
95.09187	1.2
97.06506	4.0
97.10142	2.0
98.20724	1.5
98.21375	1.4
103.05445	1.8
105.07011	48.7
105.56209	0.7
107.04926	5.9
107.08580	14.2
109.06509	6.4
109.10130	6.2
111.08038	1.5
115.05442	0.7
117.06999	8.7
119.04933	0.8
119.08562	26.1
121.06483	6.2
121.10115	7.9
123.08045	4.2
123.11674	1.7
125.09584	1.1
129.06999	2.2
131.07541	0.9
131.08543	15.9
133.06459	1.5
133.10106	29.5
135.08031	5.6
135.11661	3.8
137.05995	1.3
137.09593	2.2
141.06952	1.1
142.07716	1.1
143.08519	2.7
145.06471	0.7
145.10094	15.9
147.08026	2.0
147.11656	19.1
148.08771	0.8
149.09604	6.4
149.13228	1.5
151.11087	1.7
155.08527	1.4
157.10110	2.2
159.11673	9.3
161.09576	1.9
161.13266	4.8
163.11188	4.9
165.09138	0.8
169.10094	1.7
171.11667	2.9
173.09575	1.2
173.13271	5.8
174.21886	0.7
175.11180	2.8
175.14853	1.4
177.12733	1.5
179.14290	0.9
183.11655	2.7
187.11110	1.3
187.13081	0.7
187.14764	1.2
191.10510	0.8
191.14142	0.8
197.13272	1.1
198.46472	0.8
199.14749	1.1
201.12785	1.8
203.14386	0.8
207.13757	1.1
211.14746	1.2
213.16402	1.2
215.14259	1.0
215.17821	1.5
217.15825	1.4
219.13815	1.9
229.19426	2.0
233.15318	1.3
233.18893	1.7
239.17953	3.5
247.20628	2.2
257.18988	9.7
275.04907	1.5
275.20020	100.0
276.20349	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.23196	1.7
55.01856	3.7
55.05508	14.4
57.07051	3.0
65.32567	1.8
67.05490	20.1
69.07052	10.9
70.11857	7.4
71.04958	2.5
77.03863	1.8
79.05475	21.0
81.07040	20.9
83.04964	3.8
83.08597	8.0
91.05463	35.8
93.07035	25.8
95.04968	3.6
95.08597	18.6
97.06528	3.4
97.10149	2.7
103.05437	2.2
105.07014	47.6
107.04923	2.0
107.08574	16.3
109.06514	4.4
109.10158	7.3
111.08068	3.3
111.32213	2.1
113.00977	1.8
117.07014	10.2
117.10034	1.8
119.08582	31.9
121.06492	4.3
121.10105	10.5
121.68217	1.7
123.08056	2.5
123.11630	2.1
125.09580	2.1
129.06978	2.7
131.08563	17.0
133.10104	33.7
135.08026	3.7
135.11674	4.2
137.09589	3.3
143.08525	3.8
145.10101	17.2
147.08011	1.6
147.11665	13.1
149.09593	16.6
149.13313	1.8
151.11171	5.5
155.08496	2.0
157.10091	4.7
159.11662	10.7
160.58076	1.6
161.09613	3.4
161.13246	4.3
163.11169	9.4
163.14828	2.1
169.10164	4.4
171.11687	2.4
173.13242	5.4
175.11118	3.9
177.12683	2.2
183.11722	4.2
191.14238	3.3
197.13326	3.0
207.13962	1.8
213.16493	2.4
215.14395	2.2
215.17882	2.3
216.04897	2.0
229.19522	3.4
239.17972	11.6
250.90146	2.0
257.19046	11.6
268.98355	1.8
275.05063	2.0
275.20038	100.0
275.27734	2.9
276.20261	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2729
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03943	2.1
55.05505	15.6
57.07068	9.5
67.05497	29.4
69.07057	32.2
70.86230	2.8
71.08607	3.2
75.24486	1.4
79.05474	11.8
81.07044	100.0
83.08605	11.9
91.05457	6.8
93.07019	18.2
95.08588	85.2
96.08934	1.4
97.10172	7.7
105.07007	7.3
107.08580	21.7
109.10140	56.2
111.11710	7.7
117.57217	1.4
119.08556	4.2
121.10135	12.1
123.11689	23.4
125.13268	1.9
133.10149	2.2
135.11667	12.6
137.13217	10.6
147.11684	1.8
149.13293	8.5
151.14751	3.2
156.34097	1.4
159.11728	2.2
161.13237	1.7
163.14787	6.2
165.16327	2.5
177.16466	1.6
219.21124	2.7
275.05106	1.9
275.20120	11.6
275.27344	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	277.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88502	100.0
69.88905	33.5
72.39762	20.6
80.58792	22.8
95.18204	20.3
96.28526	21.9
131.00197	28.8
133.03448	87.5
151.04498	21.8
159.04984	28.3
161.02931	19.8
245.05019	57.3
277.03067	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	100.0
57.38841	7.8
70.98110	18.7
71.13680	25.2
72.76736	8.4
76.54978	9.8
80.55582	8.2
84.96024	11.3
88.99159	10.1
89.25774	7.4
98.97557	93.2
101.00906	12.7
110.97582	15.4
112.99091	13.7
114.97124	7.9
116.98610	48.8
119.01897	19.7
128.98633	31.1
131.00156	31.5
131.01953	7.7
133.03410	10.0
134.99637	9.7
143.01848	10.0
146.99609	35.8
149.01189	15.1
155.04695	9.5
158.99622	21.4
161.02922	20.4
165.00645	19.3
173.02898	13.0
177.00717	14.6
189.00639	14.3
219.01753	17.7
237.02808	29.5
245.05058	23.6
263.00986	10.1
269.90280	8.7
277.03131	15.4
277.05576	9.0
277.07791	14.2
295.06870	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
55.05277	1.2
55.05505	18.3
57.07056	3.8
57.53144	1.0
63.95155	1.4
65.03943	1.7
67.05492	35.1
69.07056	14.7
71.04978	2.2
77.03951	1.5
79.05480	73.1
81.07042	37.6
83.08622	7.6
85.06522	2.2
87.70313	1.2
91.05467	27.2
93.07030	100.0
95.04961	7.3
95.08595	21.5
97.06519	2.5
97.10152	4.2
105.07028	11.9
107.08578	48.5
107.59124	1.3
109.06556	2.7
109.10149	14.5
115.39808	1.1
117.06998	3.5
119.08548	10.7
121.10123	42.6
123.08051	1.7
123.11675	3.5
125.09606	1.2
131.08527	4.4
133.10127	10.6
135.11678	56.0
143.08542	1.2
145.10089	3.2
146.24490	1.2
147.11688	7.4
149.09627	1.9
149.13234	25.8
157.10086	1.9
159.11705	2.3
161.13232	4.1
163.14789	7.1
171.11644	1.2
173.13237	2.4
175.11285	1.3
175.14848	2.9
185.13184	1.4
193.12234	1.3
195.13747	2.1
199.14848	1.4
207.13872	1.4
213.16338	1.9
220.93546	1.2
221.15337	1.7
221.32309	1.2
231.17458	1.2
235.16875	4.5
259.20621	3.9
277.21579	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	277.2157
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03932	3.9
55.05501	16.0
57.07054	2.2
58.06984	1.5
65.03903	1.7
67.05145	1.8
67.05492	29.2
69.07062	12.6
70.79342	1.2
70.82285	3.1
70.82644	2.7
71.04967	2.0
77.03885	2.2
79.05480	66.5
81.07040	30.0
83.04985	1.6
83.08631	9.5
85.04366	1.4
91.05463	27.6
93.07027	100.0
95.04987	8.1
95.08585	25.0
97.06519	2.1
97.10127	3.2
105.07010	12.9
107.08570	45.3
109.06501	1.6
109.10124	10.2
116.09800	1.3
117.06996	3.7
119.08588	9.8
121.10121	42.6
131.08551	4.0
133.10120	12.3
135.08037	1.5
135.11668	43.0
143.08511	2.1
145.10083	3.1
147.11658	8.7
149.13216	20.4
159.11693	1.8
161.13225	4.1
163.14804	6.0
171.11620	1.9
175.14809	1.9
185.13225	3.0
207.13708	2.0
213.16209	1.7
221.15361	2.3
235.16653	2.8
259.20676	3.3
277.21585	55.3
277.24634	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2522
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
55.05507	12.1
57.07074	10.6
65.03926	2.6
67.05138	2.2
67.05493	40.2
69.03396	3.0
69.07062	24.8
71.04971	6.9
71.08621	2.2
71.68024	2.2
79.05488	15.6
81.07044	86.1
82.07368	2.1
82.82339	1.8
83.04968	1.8
83.08620	8.0
85.06535	2.6
85.87233	1.4
88.81181	1.4
90.57169	1.4
91.05491	8.2
93.07035	24.5
95.04945	4.5
95.08591	100.0
97.06511	3.9
97.10136	6.4
99.08078	6.8
103.13342	1.6
105.07014	10.2
107.04881	2.1
107.08577	20.8
109.06482	4.6
109.10136	71.1
110.10444	1.7
111.11716	4.1
117.03354	2.0
117.07006	2.5
119.08574	9.3
121.06480	1.7
121.10122	14.9
123.04433	2.3
123.11690	29.8
125.09588	2.1
127.11160	3.9
131.08563	3.1
133.10106	7.3
135.08055	2.7
135.11668	20.2
137.05962	3.2
137.13220	15.7
139.11113	1.5
141.12717	1.4
143.08556	2.1
145.10089	3.1
147.07999	1.8
147.11638	7.0
149.02325	6.0
149.09636	2.5
149.13219	12.8
151.07458	1.7
151.11162	1.9
151.14815	2.4
153.12698	4.1
157.10152	2.9
159.07979	2.0
161.09573	2.3
161.13243	4.3
163.03900	6.5
163.14801	6.1
167.08434	1.9
175.11143	1.6
175.14774	5.5
177.16321	2.9
179.10609	2.2
185.09552	1.6
188.08362	2.3
189.09070	3.1
189.16342	4.6
191.17917	5.6
203.14375	1.8
203.17932	6.3
213.16254	1.6
217.04980	3.3
221.13235	1.7
235.16895	6.2
259.09619	4.7
259.16891	1.8
259.20349	3.3
259.24265	9.1
277.11078	2.0
277.14874	2.4
277.17767	8.3
277.21616	10.6
277.25259	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2522
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
54.61785	1.5
55.01844	1.9
55.05503	13.3
56.59381	1.5
57.07065	12.2
57.78421	1.7
58.76669	1.3
59.83078	1.4
65.72188	1.4
67.05141	2.5
67.05492	43.0
69.03413	2.5
69.07055	23.1
70.65131	4.1
71.04980	9.1
71.08613	1.8
79.05484	15.2
81.07042	92.7
82.07365	2.1
83.04948	2.7
83.08608	8.1
85.06536	2.8
85.10115	1.6
91.05467	8.6
93.07031	24.7
95.04940	3.2
95.08589	100.0
96.08835	1.4
96.92505	1.6
97.06503	3.5
97.10136	6.4
98.20850	1.7
99.04455	1.7
99.08076	2.8
105.07007	13.7
107.08572	25.7
109.06485	5.4
109.10136	78.6
111.08068	3.2
111.11713	3.4
119.08556	11.9
121.06452	1.9
121.10114	20.4
123.08054	2.6
123.11683	31.0
125.09594	2.0
127.11149	4.3
129.07060	1.8
131.08554	2.4
133.10091	10.9
135.04297	2.1
135.08080	1.7
135.11662	20.3
137.05969	3.6
137.13219	17.0
139.11140	3.4
141.12680	1.7
143.08475	2.1
145.10065	3.0
147.08031	1.9
147.11644	4.7
149.02318	4.5
149.13235	11.8
151.03748	2.0
151.07501	2.0
151.11224	3.4
153.12657	3.6
157.10101	2.6
159.11705	3.0
161.09514	2.9
161.13203	4.4
163.03880	7.0
163.14792	8.7
167.08534	1.9
169.09981	1.8
171.08104	2.0
171.11641	2.0
173.09644	1.7
175.07516	2.0
175.14783	5.6
177.16333	4.9
179.10611	2.8
185.09628	2.0
189.16364	4.0
191.14262	1.5
191.17923	5.8
203.14217	1.5
203.17946	5.6
217.04907	3.0
235.16936	5.3
238.41365	1.5
259.09598	4.2
259.20389	3.7
259.24161	7.0
260.09195	1.7
277.10812	4.6
277.14957	2.2
277.17917	7.0
277.21664	10.5
277.25241	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2522
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03929	1.8
55.01823	1.1
55.05508	13.8
55.25801	1.0
57.07067	13.4
59.04983	2.2
65.03934	1.0
67.05496	27.4
69.03403	3.2
69.07058	30.3
69.37196	10.6
71.04665	0.8
71.04983	7.0
71.08617	1.7
73.06538	1.1
79.05477	12.1
79.95792	1.2
81.07046	94.2
82.07383	0.9
83.04961	1.0
83.08611	11.8
85.06534	2.3
88.07615	3.5
91.05460	6.9
93.07037	18.6
95.04951	2.6
95.08593	100.0
96.08918	1.4
97.06516	7.7
97.10165	6.1
98.21459	2.4
99.08051	2.4
105.06995	9.7
107.08585	18.6
109.06519	2.1
109.10143	50.8
110.07037	1.0
110.10468	1.1
111.08069	2.6
111.11700	5.5
112.07637	0.9
113.09586	1.2
119.08549	7.1
121.06499	1.4
121.10136	14.0
123.08053	2.7
123.10766	1.7
123.11686	32.9
125.09605	3.1
127.11171	3.7
129.07031	1.2
131.08542	1.8
133.10103	5.1
135.11665	13.6
137.05916	1.6
137.09570	2.7
137.13235	48.4
139.11160	3.4
141.12723	1.8
143.10793	1.0
145.10060	1.8
147.11665	5.9
149.13222	9.9
151.11200	1.9
151.14842	2.1
153.12737	6.0
157.10190	1.1
159.11691	1.6
161.13246	3.8
163.14757	4.6
165.12738	4.2
167.14299	1.1
171.11639	1.2
173.02336	1.5
173.13306	1.6
173.96559	1.0
175.14751	4.0
177.16341	2.7
181.15759	1.1
186.18500	3.4
189.16336	3.8
191.17944	7.0
193.15881	1.0
193.19655	1.0
203.17961	3.6
215.07010	2.3
230.21014	1.9
235.16811	2.5
259.20416	2.0
259.24255	8.2
275.53485	1.0
277.14893	1.3
277.18430	4.8
277.21680	4.5
277.25217	32.2
278.23215	9.9
278.25775	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	277.9487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41091	1.2
56.96555	38.6
60.95837	1.5
68.14912	1.2
70.49659	5.4
71.95251	4.5
74.93137	1.6
74.97578	1.9
84.96014	1.5
89.22581	1.2
98.97562	87.2
99.97910	2.0
102.96883	3.4
110.97530	1.6
116.98600	100.0
117.30319	1.3
117.81431	1.2
117.98950	3.6
118.98251	1.4
119.01899	5.8
120.01978	2.2
120.97892	3.7
121.01662	2.5
128.98587	3.4
130.93294	2.8
134.99634	79.6
136.00003	1.9
137.02994	2.0
140.00156	3.8
142.03476	2.6
143.00148	5.2
146.99612	4.5
148.94305	1.4
153.00652	14.3
158.01207	4.8
158.99648	3.3
160.04547	4.3
161.01208	4.2
165.06075	1.3
172.94254	1.7
174.97627	4.8
177.00784	8.5
178.01025	2.2
178.05524	1.4
186.99144	1.4
187.99426	1.4
189.00778	2.0
190.95399	3.9
192.98747	4.2
206.00507	3.0
208.96443	1.9
212.92168	9.7
215.01746	1.7
216.98720	2.8
218.91257	2.3
219.01805	6.5
220.02130	2.5
220.48071	1.3
230.93262	19.7
232.96416	3.2
233.96703	1.5
234.99805	4.0
236.94920	3.2
236.98637	2.5
237.02846	8.5
241.88170	1.4
241.98628	1.5
246.91095	1.6
248.94318	10.4
248.97481	2.1
250.97534	1.9
254.93275	13.8
254.96083	36.9
255.03883	7.5
256.96487	2.0
258.99707	1.9
260.00058	6.4
260.04486	6.3
263.93484	2.4
267.91101	1.3
270.97055	1.9
272.48889	1.6
272.94345	88.4
272.97018	5.8
273.94424	3.0
274.97247	2.9
277.00836	3.7
277.18182	1.5
277.94910	4.2
277.97736	3.7
278.01056	12.6
278.05209	2.4
278.08066	1.5
279.00845	2.4
279.03793	2.1
281.93304	2.7
284.88675	1.7
288.92072	5.7
290.92017	3.2
290.95374	53.1
292.98438	1.7
295.95688	10.1
296.97800	2.0
297.04916	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	278.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
57.07054	1.5
65.03928	0.8
67.05479	1.0
69.03411	1.1
70.06558	2.3
70.68212	1.2
72.08134	0.9
79.05468	1.6
81.03397	1.3
81.07025	1.1
84.08084	1.0
86.09692	1.2
91.05489	2.0
93.06999	0.7
94.06544	1.3
95.04955	1.3
110.06037	1.9
115.05415	1.1
118.30968	0.7
119.04890	2.3
120.08090	9.1
122.06016	2.5
123.04417	8.2
124.04727	0.9
128.06216	3.2
130.06508	0.7
131.08508	0.6
132.10243	0.6
134.99730	0.7
137.02263	1.1
141.06961	1.4
143.04921	1.4
143.08524	3.2
143.74214	0.8
146.06006	0.7
147.04378	12.2
149.02328	8.4
153.06883	1.2
159.08009	0.8
160.05185	1.0
160.07460	1.7
161.04700	0.7
161.05949	3.0
162.05499	1.3
163.03816	0.7
168.08049	2.7
169.06424	1.2
170.05942	1.7
171.06732	0.8
171.08057	2.9
173.05801	0.7
174.06754	0.8
175.03966	0.7
175.07526	1.1
176.07036	3.3
177.07787	2.7
178.08501	0.7
181.06424	0.8
186.05614	0.8
186.09100	2.6
187.07494	2.7
188.07045	2.0
189.09116	1.3
190.08586	1.1
196.07568	2.4
198.05363	1.6
199.06210	1.9
204.10118	1.7
212.07033	1.7
214.08588	6.6
215.06972	0.9
216.06561	3.1
217.08795	1.0
224.07054	2.7
227.05751	2.4
230.08122	3.5
231.08841	6.0
232.09718	3.9
242.08145	2.2
260.09152	100.0
261.09509	2.7
269.21194	0.9
273.96680	0.7
278.10199	1.6
279.08771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1383
Annotation	3alpha-Phenylacetoxy-6beta,7beta-dihydroxynortropane
Peak:m/z	Relative Intensity
51.46207	0.1
57.01768	0.2
57.07048	0.2
69.65530	1.1
70.06567	0.2
71.19793	0.2
75.11576	0.2
79.05459	0.5
79.65801	0.1
81.03374	0.2
81.05756	0.2
81.07027	0.3
86.09669	0.3
91.05454	0.7
94.04170	1.5
94.06537	0.3
95.04972	0.2
96.08115	0.6
107.04937	0.4
110.05959	0.2
114.09099	0.2
119.08533	0.2
122.03619	5.4
122.05983	0.2
123.06789	0.3
124.07576	6.0
136.07553	0.2
137.05952	100.0
138.06287	0.8
142.08611	8.0
147.04349	0.4
149.02328	1.0
194.35410	0.2
214.08688	0.1
250.14418	0.2
260.09161	1.4
260.12790	4.1
278.13834	25.0
279.14093	0.2
282.04773	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	279.0385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51088	0.7
56.96557	11.0
58.49760	0.6
61.09436	0.6
68.64948	0.7
71.18721	0.8
71.19054	1.5
71.95230	1.4
92.81497	0.7
98.97567	100.0
100.99132	1.6
110.97556	23.4
112.99118	0.7
116.98602	56.0
128.98584	29.1
131.00157	1.2
134.99632	18.4
140.00142	2.0
143.00151	1.8
146.99635	16.7
149.02362	0.7
152.00203	1.1
153.00691	2.4
158.99632	34.5
161.01183	1.9
164.25377	0.8
165.00696	2.4
170.99626	13.7
174.02907	1.0
177.00687	64.0
178.01006	0.7
189.00693	35.0
191.62364	0.8
195.01743	6.4
200.02284	2.7
207.01741	27.0
212.02335	1.4
219.01746	5.4
225.02795	2.4
230.03329	1.1
237.02794	7.8
249.02852	1.9
251.60158	0.8
255.03813	2.8
256.77017	0.7
268.47794	0.7
279.03812	6.6
297.04874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98635	0.5
56.96556	10.7
68.79588	0.4
70.32864	0.9
70.33260	0.7
71.95249	0.6
74.97601	0.5
84.96003	0.9
98.97564	100.0
100.99148	0.4
110.97551	18.0
116.98603	59.1
128.98587	21.3
131.00192	0.6
134.99634	21.4
140.00188	2.1
140.98535	0.5
143.00148	2.2
146.99622	13.6
149.01253	0.6
153.00676	2.4
158.01239	1.3
158.99629	24.8
161.01231	1.1
165.00670	2.5
170.99626	5.4
177.00677	45.5
178.01122	0.7
189.00673	15.9
195.01727	4.6
200.02301	1.7
207.01736	9.9
219.01730	5.7
225.02898	1.1
230.03407	0.7
237.02760	7.3
237.06396	0.5
249.02773	0.8
255.03854	5.2
279.03815	3.0
297.05133	2.2
297.08203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	16.5
57.07053	1.1
60.95832	1.8
61.02907	1.5
65.03912	0.9
68.64952	0.8
69.03416	2.7
70.06588	0.7
70.39630	2.3
71.95255	1.5
79.65096	0.8
81.03416	0.9
84.96019	1.2
85.02885	3.4
96.07867	0.8
97.02840	1.7
98.20814	0.8
98.97565	100.0
102.96862	1.8
110.07156	0.8
110.97549	28.4
111.04449	0.9
112.99119	0.8
116.98602	64.1
120.97891	0.8
124.99134	0.8
127.03896	1.3
128.98586	32.0
131.00150	1.6
133.03453	0.8
134.99640	28.1
135.04419	1.1
139.03870	6.5
140.00160	1.8
143.00160	1.8
145.04962	1.0
146.99625	25.3
147.35323	0.8
149.01225	1.6
149.02296	10.3
149.04836	0.8
153.00691	2.3
158.01221	1.5
158.99628	30.9
161.01190	2.3
163.03893	3.5
165.00705	2.7
167.03284	0.8
170.05174	2.3
170.99631	12.2
177.00685	62.8
181.03465	0.8
181.04982	1.2
189.00688	37.8
190.98587	2.0
194.97925	1.3
195.01736	5.9
200.02219	3.6
201.00749	1.0
207.01727	20.9
211.02751	1.6
212.02312	1.1
219.01778	6.2
222.97198	0.9
230.03284	1.0
232.99612	1.4
237.02776	12.0
249.02827	1.6
255.03879	7.0
260.04532	0.9
279.03915	9.4
297.05011	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	279.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70672	0.9
55.01855	2.3
55.05503	37.0
57.07067	12.5
58.99572	17.3
65.03933	1.5
67.05482	2.7
69.07060	1.1
70.06571	3.2
71.69447	1.8
72.08145	3.5
73.01117	2.1
76.02209	7.1
76.03985	3.6
79.05486	1.7
80.20348	0.9
81.07044	3.6
83.08109	1.6
83.08606	30.2
84.08117	3.1
86.09694	1.7
86.99042	13.1
88.02197	6.1
91.05462	2.5
93.06973	1.1
95.08588	3.1
101.09621	1.4
103.05448	2.7
105.06973	1.5
110.07187	1.4
116.01663	55.3
119.04930	2.0
120.08089	1.1
121.02854	7.9
121.03732	1.3
123.04398	5.0
124.03939	4.2
130.05013	1.3
131.04941	3.5
144.00020	0.9
144.01117	25.3
145.10083	1.1
147.04428	5.7
149.02318	96.1
159.04414	2.4
159.08334	7.9
161.05991	1.5
162.02180	100.0
163.03825	2.3
167.03387	3.2
177.01859	3.3
177.05469	3.5
187.03899	3.1
189.05406	1.4
205.04913	4.7
205.06607	2.3
205.08427	1.1
215.03308	5.1
219.02924	2.3
224.59708	1.1
233.04318	1.7
244.10013	1.5
251.07198	1.3
262.11038	20.7
262.92923	1.0
279.04721	2.1
279.09354	2.9
279.13397	2.5
283.75464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03922	1.4
55.01846	1.0
55.05494	10.5
57.03426	1.0
57.07064	13.0
65.03918	3.6
67.05495	100.0
68.05831	1.2
69.07057	9.4
71.04974	1.7
79.05479	13.0
81.03376	0.8
81.07042	99.1
82.07388	0.8
83.04958	1.7
83.08589	5.5
85.06506	0.8
86.00713	0.7
89.51335	0.7
91.05470	5.0
93.07027	16.2
95.04944	1.9
95.08591	74.3
96.05160	0.7
96.08916	1.3
97.06521	1.8
97.10141	3.3
98.21071	5.1
100.18007	0.8
101.37641	0.9
101.96179	0.8
105.06991	4.5
107.08575	8.4
109.06492	2.0
109.10138	40.8
110.10479	0.7
111.11690	0.9
113.05978	1.0
117.06956	2.8
119.08560	3.9
121.02847	2.7
121.10121	8.0
123.08041	1.9
123.11684	22.7
131.08533	5.2
133.10081	3.3
135.08055	1.3
135.11693	6.8
137.09621	1.3
137.13240	10.7
145.10085	2.6
147.04410	0.9
147.11681	2.4
149.02318	67.2
149.09624	1.6
149.13232	2.5
150.02632	2.1
151.11203	1.0
151.14777	2.2
153.09122	1.1
159.11685	2.4
161.13176	1.9
163.11177	1.9
163.14790	2.4
167.03355	1.3
167.10689	1.3
173.13214	3.2
177.12791	1.5
181.12277	1.6
187.14772	2.5
191.14168	1.0
195.13817	1.2
201.33612	0.7
205.15927	1.3
209.15331	2.4
219.05708	1.8
219.21007	1.1
223.16890	3.6
237.18431	1.3
243.21036	2.7
261.22144	5.0
279.09369	2.4
279.16367	1.1
279.23135	35.4
280.09573	0.9
280.23480	1.6
280.26291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03941	2.0
54.23342	0.8
55.05506	10.1
57.07046	2.4
65.03911	2.8
67.05495	100.0
68.05810	1.5
69.07065	7.2
69.34750	1.9
69.35163	8.9
71.04961	1.5
79.05476	11.0
81.07043	99.9
82.07369	1.7
83.08611	4.0
91.05454	2.2
93.07038	9.1
95.04903	0.8
95.08591	75.7
96.08883	1.6
97.06512	1.0
97.10132	2.3
105.06989	2.9
107.08553	5.8
109.06503	1.2
109.10141	40.4
111.11749	0.8
117.06977	1.4
119.08499	1.7
121.10115	3.8
123.08054	1.6
123.11691	26.4
127.75008	0.8
131.08531	2.5
133.10115	2.4
135.11674	3.6
137.13254	9.8
145.10072	2.4
147.11642	1.4
149.02325	9.4
149.09663	1.3
149.13231	2.2
151.14789	2.0
159.11688	1.6
161.13203	1.2
163.11162	1.0
163.14830	1.7
173.13248	2.9
177.12709	1.6
181.12320	0.9
187.14798	2.2
191.14241	0.9
195.13832	1.6
209.15390	2.4
223.16943	2.1
237.18277	1.0
240.06566	0.9
243.21011	1.2
261.22034	2.4
279.16034	1.3
279.23148	30.9
280.23331	0.9
297.14096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2313
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03930	1.2
55.05499	9.2
56.96546	0.8
57.03424	0.6
57.07069	5.1
65.03929	3.1
67.05493	99.9
69.07059	9.9
69.43679	0.7
69.44001	6.6
71.04990	1.2
71.08608	0.8
79.05477	14.5
81.07043	100.0
82.07378	1.2
83.04978	1.4
83.08601	6.8
85.06515	2.0
91.05463	6.2
93.06440	0.7
93.07029	13.5
95.04958	1.2
95.08591	81.5
96.08900	1.5
97.06494	1.4
97.10146	2.7
99.08031	0.8
105.07006	3.8
107.08573	9.7
109.06499	1.5
109.10136	49.1
110.10478	0.9
111.08120	1.2
111.11681	0.9
114.84499	0.6
117.07005	1.5
119.08551	4.0
121.02847	1.3
121.06532	1.0
121.10133	8.2
123.08078	2.1
123.11684	25.8
124.99966	0.7
131.08545	3.7
133.10095	3.5
135.08054	1.3
135.11662	4.8
137.09586	1.1
137.13225	10.0
138.52939	1.8
141.09023	0.9
145.10063	3.0
147.11681	2.9
149.02318	29.0
149.09586	1.1
149.13211	4.2
151.11102	1.4
151.14839	3.3
153.00468	0.7
153.09067	0.6
158.03215	1.7
159.11708	3.4
161.13228	2.5
163.11185	1.9
163.14723	1.3
165.12773	1.8
167.03386	0.7
167.10646	0.7
173.13271	3.6
177.12743	1.7
177.16321	1.1
179.14281	0.8
181.12279	2.4
187.14784	3.3
191.14281	1.6
195.13762	2.5
205.15865	1.5
209.15344	2.9
219.05638	1.7
219.21065	1.0
223.16904	2.9
243.21046	3.9
261.22073	4.3
279.19803	2.1
279.23135	37.1
280.23511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02971	0.9
53.03932	1.8
55.05500	29.7
56.13700	1.0
56.96545	1.7
57.06798	1.7
57.07067	26.4
59.04989	15.2
65.03922	1.6
67.05490	17.8
67.05838	1.5
69.03412	3.9
69.07054	100.0
70.22987	1.9
70.23396	3.7
71.04973	2.4
71.08614	4.8
71.22703	0.9
79.05476	6.8
81.07039	43.6
82.07375	1.2
83.04958	1.5
83.08605	37.6
85.06503	2.3
85.10172	1.6
91.05463	4.6
93.03350	1.0
93.07033	18.9
95.04990	2.4
95.08586	46.5
97.06519	5.9
97.10152	11.9
98.97573	1.8
105.07016	6.2
107.00702	1.3
107.08576	24.2
109.06510	2.6
109.10135	29.7
111.08062	5.5
111.11707	14.5
113.09633	1.3
116.98594	2.1
117.06968	1.2
119.08527	2.8
120.12273	0.9
121.02859	4.3
121.10122	17.7
123.11684	17.8
125.09639	1.2
125.13216	1.3
131.08553	1.7
133.10101	3.1
135.11658	16.6
137.13237	8.7
139.11140	5.7
141.12744	1.1
145.10112	2.1
147.04378	1.4
147.11646	3.2
149.02313	89.5
149.09674	1.1
149.13245	16.0
150.02640	2.5
151.14824	2.9
153.12675	2.2
155.08577	1.3
157.10072	1.3
159.11621	1.1
163.14810	4.6
165.16336	3.8
167.03398	3.0
167.08562	1.5
167.14342	1.5
169.10039	2.3
173.13278	1.3
177.00537	1.1
177.16241	2.4
183.17400	2.9
191.17987	3.7
192.83824	1.1
195.11664	2.2
195.17403	1.5
198.19116	1.1
205.19528	4.4
209.18948	1.6
219.05754	1.1
219.13757	1.0
243.20926	1.2
261.14688	2.4
261.18527	1.2
261.25763	9.6
279.09634	1.7
279.13327	1.4
279.16220	1.3
279.20853	7.8
279.26758	16.1
303.01324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1168
Annotation	Magnaldehyde B
Peak:m/z	Relative Intensity
54.10257	0.4
55.05493	1.5
57.07060	0.7
63.37124	0.6
67.05486	1.8
69.03404	0.5
69.07048	2.0
71.04980	1.0
71.08630	0.7
71.67946	0.8
78.38332	0.5
79.05473	1.3
81.07035	2.7
83.08604	1.1
84.31294	0.5
91.05462	2.0
93.07005	1.4
95.04942	0.7
95.08590	2.2
97.10136	0.9
105.06996	1.5
107.08553	1.0
109.10130	1.8
115.05425	1.0
117.07012	0.7
119.08566	0.9
121.10112	0.9
123.11695	1.1
131.08546	1.0
133.10115	0.9
143.08556	1.2
145.06439	1.0
145.10074	0.9
147.11664	1.0
149.13203	0.8
152.06204	1.5
155.08476	0.9
157.10101	1.2
158.07251	1.6
159.11566	0.7
161.09525	0.5
165.06995	9.2
167.08534	2.5
171.08044	0.9
178.07753	5.2
179.08557	4.0
180.09331	6.0
181.06468	0.5
181.10214	0.6
182.07285	0.9
183.08032	0.8
189.07008	1.3
190.07730	3.0
191.08530	14.4
192.09305	6.9
193.06500	5.3
193.10052	2.8
194.07256	0.6
194.10959	0.6
195.08029	10.5
196.08705	0.9
197.13332	0.7
202.07750	0.8
205.06493	1.8
206.07245	1.9
207.08029	5.4
207.11664	0.7
208.08812	31.2
209.09579	2.6
209.13164	0.7
210.10416	4.2
211.14830	0.9
218.07195	0.7
219.07974	2.6
220.08728	1.7
221.06207	0.7
221.09584	7.2
222.10387	9.2
222.70662	0.5
223.07753	4.1
223.11142	24.7
225.12744	4.3
234.06740	1.9
235.07504	8.4
235.11070	3.1
236.08060	0.6
237.09087	3.7
237.12773	1.0
238.09856	11.2
239.10530	0.6
241.12184	3.7
248.08257	1.1
249.09058	6.4
250.09856	20.7
251.07004	5.0
251.10498	1.0
253.12201	33.4
254.12560	1.3
263.10492	1.3
263.16367	0.9
265.08588	2.4
266.09329	22.0
267.09900	1.2
276.06097	0.6
279.10361	0.5
281.11676	100.0
281.18704	2.3
281.22540	3.1
282.11880	3.1
283.02863	0.8
283.15680	0.6
285.78317	0.5
299.06247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
55.01857	5.4
55.05501	39.9
57.03429	27.4
57.07073	3.5
57.31722	1.8
65.03924	3.8
67.05490	99.7
69.03428	5.3
69.07049	20.2
70.31354	11.1
71.04964	5.5
73.06531	3.3
79.05477	100.0
81.03408	17.6
81.07042	70.8
83.04967	38.5
83.08612	11.7
85.06512	3.5
88.52219	2.4
91.05459	68.4
93.07025	72.2
95.04962	33.5
95.08586	47.6
97.02831	2.4
97.06526	7.9
97.10146	6.2
98.21185	6.1
99.08099	2.5
103.05444	3.9
105.07006	66.1
106.07367	5.4
107.04936	8.2
107.08571	28.6
109.06502	9.3
109.10155	10.1
111.08053	4.2
115.05408	4.0
117.06990	14.2
119.04889	2.1
119.08555	43.3
121.06461	5.3
121.10133	9.4
123.08047	9.3
127.07661	3.0
128.06197	5.0
129.06970	18.4
131.08557	7.6
133.10129	19.1
135.11670	2.7
137.09564	3.4
137.13330	2.8
141.07031	2.7
143.08521	13.8
145.06442	3.9
145.10112	13.1
147.08025	5.4
147.11656	38.3
150.02615	2.5
156.09294	3.4
157.10059	3.4
159.08046	3.6
159.11647	3.4
161.09581	8.1
161.13194	18.4
164.28038	2.3
166.53850	2.3
167.08528	3.4
169.10056	3.0
171.11678	30.5
179.08521	3.4
181.10101	2.7
189.12721	10.9
193.10184	4.0
195.11751	2.5
207.11676	6.2
207.13779	10.3
209.09473	2.7
221.13191	3.9
225.12788	2.9
235.11272	5.8
237.12643	3.9
263.10281	2.2
263.17993	5.1
281.08240	5.4
281.11798	8.4
281.17593	26.8
299.06177	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	281.1742
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.12773	1.3
53.03933	7.3
55.01850	4.0
55.05237	1.9
55.05500	33.8
55.16819	1.2
57.03428	30.6
65.03923	5.6
67.05492	85.6
69.07048	18.3
71.04986	3.9
71.08840	3.9
73.06535	2.5
75.43103	1.3
77.03889	2.1
77.97797	1.6
78.48266	1.1
79.05479	100.0
81.03400	14.9
81.07042	71.3
83.04507	2.4
83.04970	33.8
83.08607	9.8
84.56680	1.3
85.06493	3.1
91.05463	70.2
93.07026	71.9
95.04948	29.3
95.08588	42.4
96.08942	1.5
97.02885	2.3
97.06517	6.1
97.10136	6.7
103.05470	2.8
105.07009	50.6
107.04944	8.7
107.08571	21.7
109.06499	7.4
109.10097	7.8
111.08098	2.0
117.06983	10.7
119.08559	28.5
121.06477	3.8
121.10123	6.8
123.08067	10.2
125.13184	1.5
128.06213	3.9
129.06978	14.6
130.07729	1.6
131.08539	3.3
133.10109	14.2
135.11665	3.0
141.06816	1.7
143.08586	9.1
145.10109	11.7
147.08029	2.7
147.11662	34.5
153.24396	1.6
155.08545	1.4
156.09286	2.0
159.11620	2.5
161.09567	3.9
161.13228	18.1
171.11676	30.7
179.08449	1.7
189.12735	11.6
195.08131	1.5
207.11931	2.4
207.13727	11.4
228.03389	1.4
235.11154	3.6
237.12833	2.6
264.94580	1.6
281.11728	4.7
281.17422	37.8
281.22580	4.6
297.14117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03938	8.4
55.01854	5.2
55.05232	2.0
55.05502	34.3
57.03162	1.8
57.03430	27.5
57.07058	1.7
65.03924	4.7
67.05496	85.1
69.03401	2.1
69.07056	17.1
71.04980	4.9
73.06549	3.4
79.05483	100.0
81.03407	16.0
81.07044	63.3
81.07544	2.0
82.07397	1.3
83.04969	34.9
83.08609	9.5
85.06520	3.9
86.56391	1.1
86.76006	1.3
91.05466	76.2
92.05804	1.6
93.07032	69.0
95.04958	31.5
95.08002	2.5
95.08591	40.4
96.08918	1.2
97.02863	1.7
97.06519	5.8
97.10148	5.4
98.20728	3.1
98.21412	4.3
105.04506	1.9
105.07014	59.0
107.04939	9.1
107.08583	25.2
109.06529	9.5
109.10140	8.2
111.08107	1.7
115.05435	1.4
117.06985	9.6
119.08568	30.9
121.06492	3.5
121.10125	5.7
123.08053	8.5
127.07570	2.3
128.06210	4.1
129.06995	18.5
131.08560	4.3
133.10095	18.2
135.08049	2.5
135.11659	4.1
137.09637	1.5
143.08546	11.8
145.06442	1.8
145.10086	11.8
147.08041	4.2
147.11667	41.0
159.11604	2.1
161.09583	5.2
161.13246	16.4
162.32390	1.3
165.09081	1.5
171.11670	30.6
189.12646	8.4
192.09274	1.5
207.11833	2.8
207.13754	10.1
211.11253	1.3
229.37202	1.4
235.11137	3.4
263.16357	4.9
266.99835	1.5
281.12085	2.5
281.17395	37.6
281.22293	2.4
292.31580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.4
55.01855	4.6
55.05505	35.4
57.03428	30.7
57.07072	2.6
58.90909	2.7
65.03920	5.3
67.05497	90.0
69.03398	4.6
69.07052	19.5
70.94515	6.8
71.04969	6.1
79.05022	5.1
79.05482	100.0
81.03400	16.1
81.07045	75.9
83.04961	27.1
83.08607	12.0
85.06517	5.0
88.91556	2.4
91.05466	80.9
93.07031	77.9
95.04958	27.9
95.08597	42.1
97.02882	3.2
97.06528	4.4
97.10126	4.9
98.21371	2.6
105.07015	51.5
107.04937	10.7
107.08575	27.1
109.06507	9.6
109.10146	11.2
111.08083	3.4
117.07014	13.8
119.08559	33.4
121.06498	5.6
121.10115	5.5
123.08023	6.9
128.06194	3.6
129.07010	22.3
131.04922	3.7
131.08528	5.0
133.10086	16.7
135.08109	3.1
135.11671	5.1
143.08531	9.4
145.06473	5.7
145.10109	10.2
145.16710	2.8
147.08002	5.1
147.11664	41.2
161.09596	6.0
161.13219	16.1
165.07048	3.9
167.08539	6.2
171.11681	31.2
181.10063	2.8
183.08014	4.9
189.12766	8.1
191.08537	6.9
192.09360	6.6
193.09988	2.4
195.08032	8.0
202.07739	2.7
207.07982	4.2
207.11960	2.7
207.13808	11.4
208.08833	11.1
209.13373	2.7
217.10149	3.7
220.08783	2.7
221.09541	6.1
222.10411	3.7
223.11110	13.3
235.07669	3.3
235.11122	14.9
237.09067	4.6
237.12746	5.4
238.09871	4.9
243.70427	2.8
250.09840	8.1
253.12138	16.1
265.08542	2.8
266.09344	7.0
268.77557	2.5
281.11697	50.2
281.17340	34.5
282.11948	4.1
299.06116	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	281.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35365	1.2
53.03935	5.9
55.01862	6.1
55.05502	64.0
57.03426	18.7
57.07067	51.8
58.06588	1.9
65.03915	3.3
67.05493	69.5
69.03418	3.2
69.07055	98.0
69.57964	1.1
70.06567	1.8
70.48524	4.1
71.04966	4.3
71.08617	27.1
72.04514	3.0
72.08144	9.2
73.06540	2.0
79.05480	64.2
81.03400	8.6
81.07041	69.7
83.04959	24.8
83.08605	75.6
84.08119	1.5
85.06534	5.6
85.10162	12.0
86.06057	12.7
86.09680	3.7
88.50527	1.0
89.56062	1.1
91.04918	2.4
91.05462	36.9
93.07029	58.6
95.04949	13.9
95.08591	54.8
95.09115	1.2
96.08880	1.4
97.02877	1.5
97.06516	25.9
97.10153	55.8
99.08050	2.6
100.07603	20.2
103.05418	1.9
105.04550	1.3
105.07013	30.5
106.07243	1.2
107.04931	4.9
107.08579	31.3
109.06498	4.0
109.10134	23.0
111.08066	15.7
111.10973	1.9
111.11700	25.2
113.09617	2.0
114.09148	18.6
117.06976	5.5
119.08554	14.6
121.06530	1.9
121.10123	27.7
123.08031	6.1
123.11690	8.5
125.09624	9.0
125.13261	6.8
127.07473	1.3
127.11179	1.2
128.06197	2.2
128.10687	11.5
129.06987	11.8
131.08559	1.6
133.06438	1.7
133.10121	9.0
135.11673	25.3
137.13260	5.6
139.11159	8.7
139.14771	1.3
142.12257	7.1
143.08557	7.1
145.10114	7.9
147.11668	21.7
149.13226	18.2
151.14792	4.6
153.12729	4.9
155.14284	1.7
156.13806	3.3
161.09546	2.4
161.13245	8.0
163.14755	9.4
165.16368	3.7
167.14366	2.8
170.15359	3.1
171.11650	17.2
177.16351	5.2
181.15781	2.3
184.16901	3.1
189.12732	6.2
191.17917	6.3
195.17355	1.6
198.18500	2.7
205.19533	1.5
207.13689	6.3
209.19005	2.0
212.20021	1.7
226.21553	2.7
235.11223	1.8
240.26823	3.1
247.24161	44.5
264.26843	1.3
265.25220	38.3
281.11737	1.6
281.17480	18.3
282.27881	100.0
299.05960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.3
53.03933	8.9
54.85415	1.4
55.01869	7.4
55.05237	2.1
55.05502	39.0
55.87923	1.3
57.03160	1.8
57.03425	28.7
57.07053	3.4
62.35086	1.3
65.03920	5.2
66.82999	1.2
67.05494	93.9
69.03397	4.1
69.06741	1.7
69.07061	21.6
70.03358	7.4
71.04965	4.1
73.02873	1.3
73.21892	1.2
79.05479	100.0
80.05798	2.7
81.03407	13.0
81.07043	67.3
82.34518	1.3
83.04965	32.8
83.08594	9.4
85.06512	5.1
87.04404	1.3
91.05461	69.2
93.07028	75.2
93.73849	1.2
95.04954	27.6
95.08591	42.7
97.06490	9.3
97.10144	6.4
98.20746	1.7
99.08077	2.2
103.05431	4.1
105.07012	64.6
107.04929	9.5
107.08568	22.5
109.06507	9.4
109.10155	13.3
111.08054	2.3
114.88112	1.5
115.05434	5.8
116.06223	2.1
117.07004	13.2
119.08563	29.8
121.06432	7.0
121.10102	9.3
123.08028	8.1
123.11655	6.4
125.09554	1.7
127.07475	1.8
128.06190	5.8
129.06975	19.6
130.07675	2.0
131.04868	7.5
131.08546	9.4
133.06480	3.3
133.10106	15.7
135.08034	4.1
135.11661	4.0
137.09447	1.5
137.13249	2.9
141.06940	3.6
142.07796	1.4
143.08553	15.4
145.06448	18.6
145.10110	11.7
147.08022	5.8
147.11662	37.5
151.07530	1.9
153.06952	3.0
153.25046	1.5
155.08534	5.4
156.09377	2.7
157.06459	1.6
157.10097	4.1
159.08005	3.7
159.11655	2.4
161.05936	3.0
161.09575	6.4
161.13226	15.1
163.11143	2.8
165.06972	5.4
166.07809	3.2
167.08546	7.4
168.09341	2.1
169.06430	3.6
169.10124	5.1
171.08009	12.0
171.11668	33.6
172.12027	1.6
173.13226	1.9
178.07732	4.8
179.08508	10.5
179.14394	1.7
181.06467	3.0
181.10112	5.9
182.07288	4.5
183.08054	8.9
183.11642	2.1
185.13268	2.6
189.12662	8.4
191.08516	5.7
192.09299	14.5
193.10065	6.0
194.07240	3.0
194.10918	3.3
195.08006	18.7
195.09666	1.7
195.11655	2.6
196.08769	3.9
196.11971	1.3
197.09676	2.4
197.13249	3.7
199.14749	2.0
202.07755	6.0
203.06970	2.2
204.09274	3.3
205.06474	5.2
205.10019	2.7
207.07999	4.6
207.11662	22.9
207.13756	10.1
208.08862	2.0
209.09529	6.6
209.13211	6.1
210.10213	1.5
211.07520	3.8
211.11305	2.2
211.14786	1.8
217.10027	7.7
219.08047	3.4
219.11641	2.9
220.08795	14.3
221.09563	3.7
222.10362	5.9
225.09056	2.0
225.12688	4.7
235.11142	56.6
236.11519	4.5
237.09093	14.7
237.12694	30.3
238.12994	2.0
239.07028	2.2
239.10428	2.8
239.14352	1.8
253.12210	6.2
253.19844	1.9
263.10742	6.6
281.11697	61.5
281.17026	23.6
281.22644	5.5
282.11945	2.6
299.06073	4.4
303.93991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2835
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
55.01847	3.3
55.05503	35.6
56.82796	2.6
57.06793	3.7
57.07064	54.2
59.04969	3.5
67.05149	2.7
67.05491	41.7
69.07056	80.3
69.35651	3.4
69.36054	33.0
71.04977	48.4
71.08624	33.1
79.05457	12.7
81.07044	93.2
83.08605	63.1
85.10178	13.9
91.05442	10.7
93.07013	8.4
94.13666	2.3
95.08587	100.0
97.10146	35.7
98.20736	5.6
99.08071	19.7
103.05424	3.5
105.07014	27.0
106.07354	14.2
107.08580	4.8
109.10133	75.1
111.11690	21.4
113.09647	3.5
117.06992	3.7
119.08554	5.6
121.10103	3.2
123.11682	59.7
125.13242	9.9
127.11152	12.7
131.04910	3.5
133.10030	3.1
134.09656	4.4
135.08057	2.6
137.13229	38.6
141.12685	9.3
142.46753	2.9
143.08540	3.5
145.06421	4.3
147.11613	4.4
151.02760	3.7
151.14789	15.7
155.14281	5.6
157.10048	3.9
157.15836	3.3
159.08015	2.7
165.06908	3.1
165.16373	6.7
171.11592	3.6
179.17970	3.8
181.10129	2.9
183.17369	2.9
185.13091	2.8
192.09268	3.7
193.19461	4.3
195.07977	4.7
207.21036	8.9
211.20549	3.2
220.08678	4.1
221.13538	3.5
225.22174	3.5
235.11111	10.3
237.09120	3.7
237.12666	7.6
263.27325	13.8
266.99777	5.2
281.11673	11.1
281.14825	3.9
281.21152	18.3
281.28323	91.2
299.06091	7.7
300.06003	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	282.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	16.7
57.43688	2.2
69.54375	1.8
69.95753	3.0
69.96162	8.5
71.95228	2.9
79.82434	1.9
80.35773	1.8
90.81947	2.0
98.97566	95.0
107.24728	1.8
116.98598	85.4
119.01836	2.0
120.97826	3.3
121.24228	2.1
122.31884	2.1
134.99632	52.1
140.00146	2.3
153.00725	9.5
158.01251	3.1
169.49347	1.9
194.38885	1.9
217.03024	1.8
219.01898	2.4
236.98541	5.2
240.98727	5.4
258.99799	45.9
259.02362	4.1
263.73938	2.1
277.00781	100.0
278.01071	2.7
282.01218	3.0
300.02365	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.9
55.01843	3.9
55.05492	9.3
55.72498	2.0
55.76447	1.9
57.03436	14.0
57.07063	2.6
67.05503	25.5
69.03388	2.5
69.07064	10.8
70.58952	2.2
71.04996	3.3
79.05479	30.2
81.07045	24.4
83.04963	4.7
83.08605	11.7
89.06013	3.7
91.05460	15.4
93.07030	42.9
95.04932	7.8
95.08593	45.5
95.09190	3.2
97.02892	4.5
97.06504	6.9
98.20743	6.2
99.04432	7.1
102.57762	2.1
105.07008	10.1
107.04951	14.0
107.08566	21.5
109.06463	3.9
109.10127	3.7
111.04435	3.8
111.08093	2.5
117.07023	10.7
119.08559	13.6
121.06478	8.4
121.10098	18.9
125.05966	3.2
131.08577	2.5
133.10063	6.3
135.10635	2.8
135.11668	48.3
145.10106	33.3
147.11668	3.6
163.11160	71.8
170.19626	2.3
173.09644	2.5
175.11147	2.2
181.12167	18.1
206.77107	2.7
209.11581	2.9
227.12743	100.0
267.32782	2.5
283.15024	20.9
283.19934	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	283.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01855	3.4
55.05499	11.4
57.03428	13.1
57.07059	1.9
61.76954	1.1
62.37037	1.4
67.05485	21.3
67.85674	1.1
69.03433	1.5
69.07049	9.0
69.49126	12.9
71.04972	2.0
79.05482	28.4
81.03406	4.0
81.07045	24.8
83.04957	5.5
83.08604	9.1
89.06011	2.8
91.05470	10.1
93.07028	41.6
95.04956	10.2
95.08583	40.3
95.58939	1.2
97.02866	5.5
97.06509	4.9
99.04433	5.5
101.76269	1.3
105.07027	7.4
107.04944	13.1
107.08572	30.4
109.06494	2.8
109.10153	3.8
111.04413	2.2
111.08045	1.4
117.07013	11.6
119.08568	12.3
121.06494	8.0
121.10127	13.2
125.05967	4.0
130.07744	2.9
133.08539	2.3
133.10091	3.2
135.08087	2.5
135.11670	55.0
143.08499	1.7
145.10103	28.1
153.12671	1.5
155.08551	1.3
163.11159	74.9
164.11484	1.6
173.09590	1.4
181.12209	16.9
183.13181	1.2
190.94952	1.2
209.11563	2.0
220.62213	1.3
227.12740	100.0
228.13194	2.0
283.10104	1.4
283.15329	21.7
283.20319	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01858	4.0
55.05506	10.8
57.03433	13.3
57.07064	1.7
65.03924	1.4
67.05141	1.7
67.05493	21.7
69.07056	10.0
70.19330	6.0
71.04980	3.4
73.02910	1.6
79.05482	32.4
81.03407	3.7
81.07046	25.0
83.04979	6.0
83.08614	10.0
87.86240	1.1
89.06008	1.8
89.22099	1.0
91.05465	13.6
93.07032	50.7
95.04964	10.3
95.08592	47.3
95.09200	2.4
97.02863	6.4
97.06502	5.1
99.04430	5.7
103.05457	1.4
105.07022	11.5
107.04942	14.0
107.08588	30.3
109.06510	2.8
109.10133	3.7
111.04395	2.4
111.08052	1.4
113.05914	1.2
116.06270	1.2
117.07011	13.6
119.08572	12.6
120.62743	1.0
121.06487	6.9
121.10131	17.6
125.05973	3.4
127.07642	1.3
129.06990	1.8
130.07791	2.2
131.08560	1.7
133.10098	3.2
134.00879	1.2
135.08044	2.6
135.11682	49.9
139.07498	2.3
143.08510	2.7
145.06418	1.6
145.10104	32.1
153.12689	2.1
157.10100	1.6
163.11163	77.1
164.11507	1.4
171.11584	1.3
171.36508	1.3
181.10004	1.0
181.10576	1.5
181.12207	18.8
182.12440	1.4
209.11748	2.4
227.12747	100.0
228.13077	1.7
265.19110	1.1
283.15332	21.0
283.20291	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	283.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.5
55.05511	19.7
56.96559	4.6
57.03432	12.6
57.07047	3.3
59.31496	3.0
60.08457	2.4
67.05498	22.3
69.07059	12.7
71.04982	6.2
71.42894	3.6
71.43209	4.4
79.05482	42.8
81.03402	4.5
81.07046	25.6
83.04973	8.1
83.08614	13.1
89.06057	2.8
91.05463	14.3
93.07038	45.9
95.04987	12.3
95.08595	49.0
97.02881	4.2
97.06518	7.6
97.10188	3.0
98.21086	5.2
99.04427	5.6
105.07037	14.1
107.04929	7.3
107.07918	3.2
107.08595	36.0
109.06496	4.4
109.10126	6.4
111.08096	2.6
117.07005	10.4
119.08597	14.9
121.06475	7.8
121.10130	27.9
125.05977	5.2
129.07001	3.5
133.10118	7.1
135.08058	4.2
135.11681	52.3
139.07533	2.6
139.81374	2.6
141.71071	2.3
145.10112	37.6
147.11710	3.8
149.09569	4.3
153.12793	4.8
155.08600	3.5
157.10085	5.2
161.46892	2.9
163.11168	83.0
169.81990	2.7
173.09569	4.4
179.08562	3.9
181.10754	3.5
181.12178	20.7
183.11794	3.5
197.13091	2.9
209.11543	3.2
209.13344	6.0
227.12749	100.0
235.29878	2.7
265.19427	4.2
283.15125	25.3
283.20322	17.9
283.26254	3.0
296.82297	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	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58161	3.2
55.01858	6.4
55.05500	18.4
57.03415	15.2
57.07051	7.5
60.49703	2.8
65.03896	3.5
67.05494	24.5
69.07044	12.6
69.22110	2.6
70.06586	3.2
71.04957	3.0
71.70324	3.0
71.70718	4.3
79.05480	30.6
81.03394	5.5
81.07051	33.7
83.04964	6.2
83.08588	10.5
89.05987	5.5
91.05466	15.5
93.07023	45.5
95.04939	11.1
95.08582	42.0
97.02872	4.1
97.06507	8.2
105.07005	16.5
106.23058	2.9
107.04919	11.7
107.08578	34.9
109.06481	6.6
111.04439	5.2
117.06989	11.0
119.08585	16.7
121.06509	6.9
121.10119	23.5
131.08496	3.7
133.10063	5.4
133.80086	3.1
135.08084	5.4
135.11671	58.5
144.97534	2.9
145.10098	30.7
153.12712	3.9
163.11159	81.2
173.09602	4.8
181.12172	15.9
191.10611	3.9
205.04886	3.7
209.11736	6.6
227.12737	100.0
240.56158	3.7
283.15433	26.2
283.20306	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69393	0.9
51.29404	0.9
53.03931	3.7
55.01870	5.4
55.05501	15.8
57.03427	12.6
57.07059	1.3
61.90421	0.8
65.03922	1.4
65.47091	0.8
67.05495	22.4
69.03413	3.5
69.07047	10.8
70.06564	1.0
71.04978	4.0
71.70093	1.4
72.64427	0.8
73.02907	2.6
79.05482	34.2
81.03403	4.4
81.07043	34.3
82.06602	0.9
83.04974	7.1
83.08598	10.6
85.02902	1.2
85.06516	1.2
91.05457	14.2
93.07032	48.8
95.04955	11.3
95.08593	45.7
97.02871	6.4
97.06495	6.2
97.10144	2.0
99.04450	4.7
100.11229	1.2
103.05462	1.9
105.07016	14.4
107.04922	12.4
107.08578	33.5
109.02810	1.0
109.06512	4.6
109.10133	7.8
111.04424	3.0
111.08074	1.8
113.05984	1.1
113.09674	1.4
115.05423	0.9
117.07000	13.1
119.04864	1.0
119.08558	14.2
121.02840	2.4
121.06492	7.3
121.10126	14.9
123.11668	2.6
125.05984	4.8
129.06993	1.7
130.07759	2.7
131.04922	1.6
131.08577	2.8
133.06479	1.2
133.10095	3.4
135.08090	2.9
135.11673	55.3
136.11946	0.9
137.09576	2.5
139.07526	4.0
143.08554	2.8
145.06393	1.3
145.10101	32.4
147.07953	1.1
147.11659	1.2
153.07016	1.5
153.09132	1.1
153.12698	1.1
155.08493	3.1
157.10112	2.7
159.11665	2.1
161.05959	1.5
163.11163	79.7
165.07033	1.3
167.07018	1.1
169.10098	1.2
171.11710	2.5
173.09570	1.9
173.13268	1.0
181.10118	1.5
181.12202	16.8
182.15385	1.1
185.13213	1.6
186.14021	1.5
187.11171	1.2
191.10646	1.6
195.08035	1.1
199.14952	1.2
209.11600	1.8
209.13377	1.7
227.12749	100.0
228.13156	2.0
237.12816	2.2
265.17865	1.3
283.06189	1.1
283.10297	1.3
283.15268	18.6
283.20535	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2051
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03931	2.7
55.05496	10.0
57.03424	2.4
57.07055	3.7
64.19112	1.5
65.57013	1.2
65.65626	1.3
67.05492	18.5
69.03409	5.4
69.07065	10.5
70.78886	3.0
70.79288	3.4
71.04974	6.3
79.05487	16.6
81.03394	1.7
81.07045	23.2
83.04958	4.9
83.08603	5.4
89.34457	1.6
91.05469	21.2
92.69157	1.5
93.07029	27.8
95.04947	12.3
95.08588	22.4
96.53451	1.5
97.06506	4.1
97.10148	2.4
99.08080	1.5
99.93459	1.4
103.05455	1.9
105.07011	35.9
107.08581	25.5
109.06510	8.0
109.10145	15.5
110.38914	1.7
111.08043	2.3
117.06989	8.2
119.08562	33.1
121.06506	8.0
121.10121	49.7
121.44450	1.4
123.08051	5.7
123.11710	7.1
128.06137	3.3
129.06981	6.3
130.07758	2.7
131.08534	27.0
133.07619	2.0
133.10110	23.5
135.08005	8.8
135.11644	7.1
137.09639	2.5
137.13278	2.0
141.06972	2.6
142.07736	8.5
143.08539	16.0
144.09337	2.7
145.06445	1.9
145.10098	28.9
147.08069	3.4
147.11664	10.5
149.09518	2.6
149.13200	2.1
155.08498	6.1
156.09308	5.0
157.10109	22.0
158.10896	5.6
159.08025	4.7
159.11668	17.3
161.09575	22.2
161.13173	3.7
163.11160	5.0
165.06947	3.0
166.07755	2.4
167.08571	4.3
168.09328	1.6
169.10100	4.9
170.10890	3.1
171.11624	13.4
173.09615	5.4
173.13234	52.6
175.11160	5.8
175.14798	7.3
179.08595	7.8
180.09267	3.3
181.10120	6.1
183.11649	11.0
185.09564	3.2
185.13252	13.6
186.13828	1.6
187.11134	2.8
187.14734	7.6
189.12779	2.9
191.14334	3.4
193.10146	4.7
194.10902	4.3
195.11755	7.6
197.13260	5.3
199.11241	1.8
199.14804	9.1
201.12738	2.8
201.16386	3.8
207.11737	1.7
208.12488	5.9
209.13240	18.0
210.13968	2.2
213.12753	5.9
213.16289	3.7
222.14024	1.9
223.14798	10.8
225.16423	8.1
227.14389	8.2
235.14847	3.8
237.16428	2.9
239.17918	2.7
241.15739	2.5
255.20865	6.9
265.19525	30.6
283.09479	3.7
283.20529	100.0
283.28265	9.5
284.20798	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	284.0985
Annotation	NSC19994
Peak:m/z	Relative Intensity
54.00634	0.2
55.01853	0.3
56.06385	0.3
56.96555	4.1
69.03386	0.3
70.06577	1.1
70.98083	0.4
71.10986	0.6
71.11311	0.3
72.08147	0.3
73.02882	0.6
84.08127	0.9
84.96041	0.3
85.02877	0.6
89.03917	0.4
98.97559	4.0
101.61727	0.3
109.05112	0.5
110.03507	2.5
110.07138	0.6
116.98592	3.4
119.01879	0.4
128.04527	1.6
128.98579	0.3
130.93295	0.5
134.04617	0.3
134.99643	2.3
135.02998	4.1
135.04326	0.6
136.06186	0.9
137.02911	0.4
137.99014	0.3
139.03888	0.8
145.02844	0.3
148.94283	0.3
152.05646	100.0
153.00719	0.5
153.04057	9.0
153.06006	0.9
155.99634	0.3
157.10120	0.3
161.01208	0.5
163.03885	2.1
164.07005	0.4
177.00868	0.8
188.97005	0.3
190.95401	1.2
208.96396	0.5
219.01865	0.9
224.07942	0.6
234.99783	0.3
260.99658	0.9
261.03076	3.0
262.03226	0.3
276.98877	0.3
278.94055	0.3
278.97644	0.3
279.00449	1.7
284.09174	0.8
284.29526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0752
Annotation	Denbinobin
Peak:m/z	Relative Intensity
55.01849	0.9
55.05481	1.5
57.03413	0.8
59.39707	0.6
62.25570	0.5
63.00029	5.5
67.05489	1.7
68.71095	0.6
68.99768	1.3
69.07040	1.6
69.83113	0.6
70.28344	1.3
70.28770	1.2
79.05479	2.4
81.03397	7.0
81.07039	4.1
83.04929	1.1
83.08582	1.9
85.02824	0.5
91.05455	2.6
93.07015	1.6
95.04944	2.3
95.08588	2.8
96.50674	0.6
97.10133	0.8
98.98453	3.2
103.05453	0.7
105.07014	3.3
107.04942	1.1
107.08572	1.2
109.06443	0.8
109.10117	1.9
111.08052	1.1
115.05415	1.4
117.07000	1.2
119.08533	3.1
121.10124	1.4
124.99957	2.4
128.14648	0.5
129.06972	0.9
131.00020	1.1
131.04874	0.9
131.08549	1.4
132.66862	0.6
133.10112	1.9
141.03340	3.4
141.06979	1.6
142.07790	1.1
143.00021	0.9
143.08598	0.9
145.06439	0.9
145.10080	1.9
147.08038	1.4
147.11653	1.5
149.05846	0.6
152.06239	1.1
153.06868	1.3
155.08537	1.1
155.90598	0.6
157.10097	1.8
158.03606	1.0
159.08133	0.8
159.11667	1.4
160.97591	1.8
161.01047	0.6
161.09492	0.8
165.07002	1.5
165.12674	0.5
167.08514	0.7
168.05695	1.1
169.06430	2.5
169.10092	1.1
171.04413	0.8
171.11719	0.8
173.09607	0.7
174.06735	0.9
174.98944	1.7
175.11099	0.9
181.04927	3.6
181.06512	1.6
182.07266	1.7
183.11615	0.8
184.05034	0.7
185.13229	0.8
186.03093	1.1
186.06776	1.0
187.07535	2.4
189.00557	2.1
191.07030	6.5
193.06459	0.8
193.12241	1.6
196.05145	1.1
197.05951	5.7
197.13266	0.7
198.06706	3.1
199.03893	3.6
199.07506	1.2
199.14809	1.0
201.05276	39.4
202.05760	0.8
203.02126	0.8
210.03159	1.5
210.06740	2.6
210.22408	0.6
211.07486	2.8
211.14789	1.0
213.05426	2.2
213.08894	0.5
214.02699	0.7
214.06174	6.2
215.06813	0.7
222.96843	2.4
225.05424	6.6
225.08867	3.2
226.06201	2.4
226.09830	1.3
227.03325	3.6
227.06953	3.4
229.04961	1.4
229.08604	1.9
238.02533	3.8
239.07002	2.3
239.17914	0.6
241.04918	1.1
242.05696	27.3
242.09329	1.1
243.06302	1.5
253.04901	11.4
253.08626	3.2
254.05478	0.7
254.09366	0.7
256.07153	3.0
257.08044	50.4
258.08359	1.2
267.06586	1.0
267.21167	1.2
270.05267	2.1
270.08762	1.3
284.29456	1.1
285.07544	100.0
285.10986	7.3
285.18457	1.7
285.22144	3.8
285.25186	1.7
286.07858	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	285.0754
Annotation	Stevenin
Peak:m/z	Relative Intensity
55.01858	0.8
55.05492	1.9
57.03422	1.8
63.00021	1.3
67.05489	3.1
68.99773	2.4
69.03429	0.9
69.07057	1.4
69.68977	4.9
69.92627	0.7
74.90936	0.8
79.05479	2.1
81.03405	3.7
81.07034	3.8
83.04973	1.3
83.08597	1.7
85.02881	3.5
85.26496	0.7
87.39307	0.7
88.07604	1.0
88.38136	0.7
91.05463	3.0
93.07024	2.3
95.04958	2.6
95.08619	3.3
98.21422	1.4
103.05436	0.7
104.34271	0.6
105.07021	3.2
107.08585	1.0
109.06524	0.9
109.10120	1.5
110.34716	0.6
112.85517	0.8
115.05410	1.6
116.81462	0.6
119.08572	2.6
121.06396	1.0
121.10107	1.2
125.09726	0.7
128.06207	1.1
129.06960	2.2
131.04890	1.1
131.08546	1.2
133.10150	1.1
135.08125	0.8
137.09581	0.8
138.06441	0.7
139.05424	1.5
141.03340	3.1
141.06970	2.7
143.08568	0.8
145.06490	1.1
145.10063	1.0
147.11658	3.0
149.09619	1.1
152.06187	2.6
153.06987	4.0
155.04935	0.9
155.08495	0.8
157.10091	1.0
158.03674	0.8
159.11710	1.3
165.06923	3.4
167.04924	1.0
167.08542	0.9
168.05676	3.2
169.06494	4.1
171.04338	1.2
171.11739	1.1
172.05142	0.8
173.06050	0.7
174.06717	0.9
175.11183	1.0
179.08447	0.9
181.04921	3.1
181.06496	3.7
182.07234	3.1
183.04390	1.4
184.05157	1.0
185.13306	0.9
186.06799	1.2
187.07501	3.1
189.09142	0.7
191.07011	8.5
193.06491	1.1
193.12183	3.5
195.04497	0.8
196.05119	4.4
197.05939	9.2
197.09619	1.8
197.67511	0.7
198.06720	5.9
199.03842	5.4
199.07527	4.3
201.05281	40.7
210.06729	5.2
211.07492	6.1
211.13309	2.3
212.04559	1.3
213.05405	2.3
214.06224	9.8
215.06960	1.3
224.04562	0.9
225.05412	8.8
225.08946	4.8
226.06183	2.8
227.03465	4.1
227.06956	7.9
229.04926	0.9
229.08556	2.9
238.02650	1.0
239.06984	4.7
241.04892	1.1
242.05710	30.1
243.06442	1.1
253.04871	4.3
253.08572	6.8
254.09305	1.8
255.06480	1.3
256.07330	2.8
257.08041	82.3
258.08371	1.9
267.06454	1.7
267.21204	1.0
267.24255	1.5
270.08960	2.3
285.07559	100.0
285.11014	8.8
285.22122	2.6
285.25351	5.6
286.07910	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Kakkatin
Peak:m/z	Relative Intensity
54.14627	0.5
55.01856	0.6
55.05481	2.0
57.03400	2.1
57.07048	1.0
63.00010	0.9
66.19138	0.5
67.05486	3.3
69.07032	1.3
69.85863	0.7
70.88828	1.7
71.08598	1.2
78.91708	0.6
79.05470	3.2
79.38899	0.6
81.03403	4.3
81.07042	4.9
83.04955	1.8
83.08572	1.9
85.02889	3.4
85.06509	0.7
91.05486	3.0
93.06995	2.0
95.04948	2.8
95.08569	2.1
98.98441	1.0
103.05437	0.6
105.07001	3.6
107.08573	1.4
109.06483	1.4
109.10110	1.5
113.05949	0.7
119.08546	2.0
121.06487	0.6
121.10081	1.6
123.08060	0.9
123.11662	1.0
129.06944	1.1
131.04968	0.6
131.08530	1.6
133.10074	1.2
135.11685	0.8
141.07022	0.8
145.06473	0.6
147.11650	2.7
156.13792	1.5
157.10083	1.7
159.11691	0.7
165.12740	1.4
169.06512	1.0
170.15372	3.2
171.04364	2.8
171.07933	0.7
175.11218	1.3
181.04933	4.5
181.10051	0.7
182.07193	0.6
183.04346	0.7
184.13235	1.2
184.16942	0.8
185.05811	0.7
187.07591	0.6
193.12257	3.6
196.08788	0.6
197.05899	1.6
198.06633	0.7
198.14885	4.2
199.03859	6.3
199.07393	0.7
201.05377	0.8
210.06842	0.6
211.03856	2.2
211.13232	2.7
212.16432	1.4
212.34483	0.6
213.05447	1.1
214.06194	4.7
225.09081	1.2
226.06177	3.3
227.03360	55.8
228.03714	1.7
229.04863	1.4
229.08524	1.4
241.04901	1.1
242.05704	100.0
243.06200	3.8
253.08658	1.4
254.09091	0.7
257.08051	43.6
258.08469	1.2
284.29395	0.7
285.07535	65.3
285.10870	3.1
285.16733	3.3
285.21954	1.3
285.25192	1.2
286.07834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Stevenin
Peak:m/z	Relative Intensity
55.05468	1.6
56.96532	0.6
57.03407	0.7
58.71579	0.5
63.00008	1.1
64.31888	0.5
67.05487	2.9
69.07027	1.4
71.04952	0.7
71.70492	0.7
79.05460	1.9
81.03364	1.9
81.07039	4.4
82.97253	0.6
83.04938	1.6
83.08592	1.4
85.02861	2.0
91.05463	2.9
93.06992	2.0
95.04917	1.7
95.08580	1.3
97.06542	0.7
98.98438	0.9
103.05390	0.6
105.06970	2.2
106.26007	0.5
107.04926	0.7
107.08564	1.7
109.06460	0.6
119.08498	2.1
121.10091	1.2
123.08030	0.6
123.11695	0.7
124.99966	1.1
128.06178	1.4
129.06879	0.8
131.04829	0.8
131.08463	0.7
133.10078	0.8
141.06889	1.6
143.08572	0.6
147.11612	2.6
157.10120	1.1
161.06020	0.6
165.12750	1.3
169.06433	1.4
171.04381	3.6
171.07973	1.1
173.09622	0.6
181.04926	4.2
185.13277	0.9
193.12178	2.3
197.05923	0.9
199.03856	4.7
199.07510	1.2
211.13266	1.6
212.60770	0.8
213.05423	0.7
214.06183	8.0
215.06981	0.7
221.05763	0.6
225.09111	1.3
227.03362	16.6
227.06886	1.3
229.04947	0.6
229.08542	5.7
240.09978	0.9
242.05713	100.0
243.06157	3.7
253.08545	0.8
254.09586	0.7
257.08057	62.6
258.08493	1.7
267.06363	1.4
267.21039	0.8
270.05078	1.0
271.06332	0.8
284.62866	0.9
285.07550	78.3
285.10907	3.7
285.21863	1.1
285.29706	1.0
286.07919	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	285.0752
Annotation	Stevenin
Peak:m/z	Relative Intensity
51.49748	0.8
55.05462	1.5
57.03387	0.8
57.07014	0.8
62.99984	1.6
67.05428	2.2
68.11649	0.6
68.60918	0.7
69.03334	1.0
69.07018	1.1
69.44851	2.8
69.45274	4.5
71.04940	0.6
79.05412	2.2
79.05833	0.8
81.03359	1.5
81.07037	3.5
83.04900	0.8
83.67928	0.7
85.02855	1.6
87.19103	0.9
91.05471	3.4
92.05748	0.7
93.06999	1.3
95.04897	2.4
95.08503	1.8
97.06470	0.9
98.98407	1.7
105.06930	3.0
107.08543	0.9
109.06464	1.2
109.10110	0.8
117.06886	0.9
119.08518	1.5
121.10104	1.4
123.11584	0.8
131.08487	1.4
133.10069	1.3
143.08443	0.9
145.10059	1.1
147.11597	0.9
157.10066	1.2
160.97595	0.9
168.06947	0.8
169.06471	1.3
171.04358	2.9
181.04956	4.7
182.07164	0.7
193.12189	1.3
197.01260	0.8
197.05972	0.9
199.03864	6.4
200.04675	1.6
201.05415	0.9
204.11542	1.1
210.03058	0.8
211.13199	0.7
214.06206	4.9
225.09148	0.9
226.06204	1.1
227.03360	20.4
228.03661	0.8
229.08571	4.1
242.05681	100.0
243.06277	5.0
252.04059	0.7
253.04956	1.2
253.08440	1.7
254.30684	0.8
257.08029	58.0
258.08380	1.3
270.05164	1.0
271.05933	1.5
285.07535	74.2
285.10971	5.3
285.18631	1.3
285.22086	2.9
286.08057	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	2-Carbomethoxy-6-methoxyxanthone
Peak:m/z	Relative Intensity
55.05488	1.0
57.03428	0.7
63.00023	0.4
67.05488	2.2
69.03397	0.7
69.07051	1.0
69.24992	0.4
70.01097	1.7
75.04476	0.4
79.05476	1.6
81.03395	0.8
81.07043	3.4
83.08585	0.6
85.02869	0.5
91.05463	1.3
93.07022	1.7
95.04950	1.3
95.08605	2.4
97.06520	0.5
98.21364	0.5
98.98439	0.5
105.07021	4.1
107.08569	2.0
109.06491	0.6
109.10126	1.6
111.08044	0.6
115.05388	1.1
117.07023	0.5
119.04916	0.5
119.08572	2.4
120.62133	0.4
121.10134	1.3
123.11716	1.0
128.06198	1.2
129.06964	0.6
131.04851	0.6
131.08533	1.7
133.06496	0.6
133.10114	1.5
135.07982	0.6
135.11644	0.6
137.09584	0.5
139.05423	0.6
141.06960	3.0
142.04131	0.6
142.07762	0.4
143.08528	1.0
145.06499	0.8
145.10115	1.8
147.11673	1.9
153.06935	0.7
155.08516	0.4
156.05679	0.7
157.06424	0.8
157.10106	1.2
158.03625	0.7
158.07187	0.6
159.11700	1.5
161.05969	1.2
161.13217	0.7
163.03857	0.4
165.06982	1.4
167.04834	0.4
168.05690	9.3
169.06464	3.9
169.10120	0.9
171.04364	4.0
171.11717	1.1
173.13293	0.9
175.11168	0.4
175.14798	0.6
179.04887	0.8
179.30098	0.4
181.04912	1.7
181.06439	1.0
182.03729	0.5
183.04317	0.4
183.11749	0.9
184.05127	3.7
185.05925	1.8
185.13274	0.9
186.03047	0.4
186.06755	1.2
187.03821	2.0
188.04572	0.5
191.07098	0.6
193.06442	0.5
195.04367	1.0
196.05173	3.4
197.05949	8.4
197.09760	0.4
197.13214	0.8
198.06767	0.6
199.03899	3.4
199.14792	0.8
200.04588	0.7
201.05460	3.9
201.16304	0.4
204.04149	0.8
209.13379	0.5
210.03082	0.7
210.06693	0.5
211.03976	0.7
211.14862	0.8
212.04622	3.6
213.05434	12.8
214.06195	6.4
221.05869	0.9
223.03828	1.5
224.04752	2.5
225.05426	4.8
225.09113	1.6
225.16380	0.7
227.03517	2.2
227.06926	2.9
228.04156	0.5
238.02557	7.5
238.06215	0.5
238.64360	0.4
239.03351	6.3
240.04114	6.5
241.04922	16.1
242.03629	0.3
242.05704	16.8
252.04256	2.2
253.04921	32.2
253.08453	2.1
254.05531	1.1
255.02895	6.3
255.06494	1.3
257.08047	6.6
267.11395	0.6
267.21039	1.6
269.04459	1.6
270.05194	31.0
271.05551	0.6
285.07544	100.0
285.18402	1.4
285.22092	4.7
285.29672	0.5
286.07892	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	285.1117
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
67.05473	0.6
70.17673	0.7
70.18091	1.2
72.49601	0.3
81.03360	0.3
81.40428	0.4
82.45616	0.3
95.00149	0.4
98.21172	0.9
116.33339	0.3
121.04100	0.4
122.29156	0.3
138.53214	0.3
139.05412	0.5
152.06175	0.6
153.07010	0.7
165.06958	2.4
166.07701	0.4
167.04869	0.5
168.05719	0.7
169.06534	0.5
171.08018	1.0
178.07738	0.5
179.08548	0.4
181.04950	0.5
181.06418	2.2
182.07243	3.1
183.08015	3.3
184.05127	0.4
185.90381	0.4
187.10353	0.4
192.05717	0.8
193.06473	0.9
194.07237	0.7
195.08047	2.5
196.08769	1.0
197.06000	0.4
197.09584	1.1
199.07523	3.4
201.05450	0.4
201.09152	0.4
207.08034	0.7
208.08754	0.6
209.05934	1.3
210.06743	7.7
211.07509	14.4
212.08141	1.4
213.05466	0.4
213.09077	1.1
214.06213	0.8
214.09808	1.3
221.05971	1.2
222.06705	0.7
223.03796	1.0
224.08308	3.5
225.05679	0.4
225.09068	11.7
226.09842	11.1
227.06993	20.0
227.10562	1.4
228.07503	1.3
236.08273	1.1
237.05470	2.1
238.06200	2.8
239.07019	3.7
239.10658	1.2
241.08578	1.7
242.05647	0.8
242.09274	8.9
242.68729	0.4
252.07776	3.7
253.08598	5.9
254.09338	13.9
255.06502	12.7
255.09427	0.7
256.07053	1.1
257.08066	1.0
257.11703	9.3
267.10120	0.7
268.10944	0.6
270.08823	30.8
271.09235	1.3
285.11160	100.0
286.11505	4.0
299.09113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.05481	0.5
67.05446	0.5
71.68926	0.4
71.69353	0.5
79.05463	0.7
81.07027	0.6
91.05432	0.9
93.07005	0.8
93.54430	0.4
95.04880	0.5
95.08558	1.0
96.16072	0.4
97.13071	0.4
105.07010	0.8
107.08537	0.4
119.08579	0.6
128.06265	0.4
131.08528	0.6
133.10039	0.4
134.45589	0.4
145.10059	0.6
147.11644	0.6
153.06978	0.5
157.10086	0.5
160.09917	0.4
161.05821	0.4
165.06969	1.7
166.07802	0.7
168.05592	0.5
171.08061	1.6
178.07690	0.5
181.04959	0.8
181.06459	1.7
182.07237	2.6
183.08028	2.9
183.11548	0.5
184.05206	0.9
184.08858	0.5
192.05510	0.4
193.06496	1.0
194.07219	0.8
195.04311	0.5
195.08026	1.7
196.08746	0.8
197.06027	0.6
197.09566	0.4
197.13414	0.4
199.07503	4.0
201.08838	0.6
201.74318	0.4
207.08017	0.5
208.08803	1.2
209.05978	1.2
209.09567	0.4
210.06749	5.6
211.07484	12.7
212.08133	1.4
213.09021	1.0
214.06248	0.6
214.09842	1.7
220.57196	0.4
221.05933	1.4
222.06657	0.5
223.03802	0.6
223.07368	0.6
224.08315	3.0
225.09061	9.2
226.09827	10.2
227.06984	19.7
227.10553	1.3
228.07417	0.9
235.07248	0.5
236.08188	0.9
237.05431	1.7
238.06198	2.5
239.06993	3.6
239.10645	1.3
241.08533	1.8
242.05618	0.7
242.09300	7.2
252.07732	3.8
253.08530	4.2
254.09328	14.5
255.06476	12.9
256.07077	0.6
257.08002	1.0
257.11667	9.4
269.07779	0.5
270.08817	30.4
271.09232	1.4
285.11148	100.0
285.22113	1.9
286.11441	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
51.65909	0.6
53.03934	0.6
55.01849	1.2
55.05504	6.8
57.03194	0.7
57.03429	7.1
57.07069	0.6
65.03921	0.7
67.05140	1.1
67.05493	16.2
69.03394	1.0
69.07052	7.9
69.44551	3.4
69.44976	2.7
71.04988	3.1
75.42496	0.6
79.05483	8.3
81.03402	0.8
81.07043	42.3
82.54148	0.6
83.04978	3.2
83.08599	4.8
85.06519	3.0
91.05463	12.1
93.07043	5.6
95.04947	0.8
95.08593	10.2
97.06508	3.6
97.10142	0.8
98.98421	0.7
99.08076	2.2
101.05997	0.7
105.07018	14.5
107.08575	6.0
109.06490	2.8
109.10122	2.0
111.08102	1.0
113.05957	0.8
119.08561	12.7
121.10125	9.3
123.08049	1.8
123.11683	14.0
125.60952	0.6
127.07525	1.6
129.07005	1.3
131.08562	1.3
133.10106	2.4
135.08028	0.7
135.11594	0.7
137.13206	0.9
141.06996	0.6
141.09119	0.7
143.08563	1.3
145.10077	1.7
147.11658	29.8
152.06175	1.4
153.06993	1.6
155.08539	0.7
157.10075	1.6
159.11638	1.5
161.13231	0.9
165.06976	12.1
165.12735	16.5
166.07632	1.3
167.08548	1.1
168.05711	2.0
169.06448	1.1
171.08008	1.6
171.11607	0.8
175.11122	1.5
177.06895	0.8
178.07736	2.4
179.08603	3.3
179.98558	0.6
181.04918	1.9
181.06390	8.5
182.07245	17.4
183.07991	3.7
183.13786	1.5
184.05183	0.7
189.07016	0.6
192.05687	3.2
193.06445	4.4
193.12202	1.1
194.07256	4.2
195.07982	3.8
196.05101	0.8
196.08810	1.2
197.05946	0.8
197.09634	5.2
199.07506	6.5
207.08006	4.7
209.05928	2.6
210.06726	45.4
211.07501	20.7
212.08144	1.0
214.09787	1.5
221.05933	1.3
222.06752	2.4
223.03868	0.9
223.07326	1.0
224.08215	2.1
225.09064	46.1
226.09738	5.7
227.07001	16.7
227.10486	0.9
228.07495	1.0
229.14183	1.6
237.05391	2.0
238.06226	12.8
239.07007	11.5
241.08569	0.9
242.09338	6.0
243.91748	0.6
250.26582	0.8
252.07718	1.5
253.08559	56.6
254.09314	38.9
255.06487	10.8
255.09335	0.8
257.11703	3.0
267.15811	0.9
269.08188	1.4
270.08798	23.0
271.09515	0.7
285.11172	100.0
285.16418	14.3
285.22049	2.9
286.11533	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
53.03976	0.3
55.05486	0.5
57.03409	0.8
62.01808	0.3
63.00024	0.4
67.05489	0.8
69.07039	0.3
69.65055	0.5
69.65461	1.8
71.04958	0.6
76.52418	0.3
77.27872	0.3
79.05475	0.6
81.03381	0.7
81.07024	1.2
83.04968	0.4
83.08604	0.6
85.02866	0.8
91.05463	1.1
93.07011	0.7
95.04984	0.6
95.08580	0.5
96.20190	0.2
98.98450	0.3
105.07007	1.2
107.08566	0.5
109.06438	0.3
109.10111	0.3
111.08066	0.3
116.98591	0.3
117.07021	0.3
119.08527	0.6
121.00450	0.3
121.10073	0.3
121.25650	0.2
123.11697	0.3
127.01751	0.3
129.07005	0.4
131.04967	0.3
131.08557	0.4
132.20364	0.2
133.10150	0.6
139.05435	0.3
141.06963	0.4
143.08578	0.4
145.10072	0.3
147.11647	0.5
153.06946	0.6
154.07640	0.3
157.10110	0.5
165.07008	2.0
166.07721	0.5
167.04927	0.4
168.05655	0.6
169.06401	1.1
171.08018	1.4
171.11792	0.3
175.11217	0.3
179.08525	0.5
180.05693	0.4
181.04868	1.1
181.06468	2.1
182.07265	2.6
183.08064	3.3
183.11615	0.3
184.05087	0.6
185.05992	0.3
185.09587	0.3
192.05673	0.7
193.06433	1.3
193.12352	0.5
194.07254	1.1
195.04320	0.5
195.08014	2.5
196.05167	0.4
196.08784	0.9
197.05931	1.0
197.09573	0.9
198.06642	0.3
199.07507	5.0
201.05473	1.2
201.09027	0.5
207.08054	0.4
208.08807	1.0
209.05943	1.7
209.09447	0.5
210.06741	6.0
211.07503	16.7
211.13071	0.4
212.04713	0.5
212.08173	1.4
213.05508	0.5
213.09132	1.3
214.06137	0.8
214.09865	1.6
221.05931	1.0
222.06720	0.6
223.03867	0.8
223.07396	0.6
224.08308	4.4
225.09079	10.2
226.06342	0.5
226.09830	10.7
227.06996	21.2
227.10258	1.6
228.07385	0.8
229.08563	1.0
235.07449	0.4
236.08351	1.2
237.05505	2.1
237.09253	0.5
238.02663	0.3
238.06256	3.2
239.06990	3.7
239.10678	1.1
240.07428	0.3
241.08528	1.8
242.05724	1.6
242.09323	8.6
251.07126	0.3
252.07761	3.7
253.04857	0.7
253.08571	4.6
254.09351	13.8
255.06477	13.7
255.09238	0.5
256.07007	0.9
257.08063	1.7
257.11688	8.7
258.11990	0.5
267.10147	0.6
268.10944	0.7
269.08090	0.4
270.08826	29.6
271.09311	1.1
285.11163	100.0
286.11517	3.6
299.09280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01852	1.0
55.05497	2.0
56.96555	1.2
63.00023	2.0
67.05482	2.8
67.65143	0.8
68.28275	1.0
69.07050	1.7
70.24766	0.9
71.67707	2.0
79.05487	10.1
80.04998	1.2
81.07036	3.4
91.05480	6.6
92.05748	1.1
93.07042	8.7
94.06538	1.9
95.04952	2.1
95.08585	1.9
98.98470	1.8
99.71127	0.8
103.05462	8.1
103.20217	1.0
105.05760	2.0
105.07003	3.2
107.04973	1.0
107.08576	1.7
108.08125	1.4
115.93510	1.1
118.06523	2.7
118.55159	0.9
119.07304	2.2
119.08508	1.3
120.08096	32.7
121.06419	1.0
121.10181	1.6
122.09658	5.7
133.10167	1.8
138.09116	2.2
138.18050	0.9
148.07555	100.0
150.09125	30.1
175.11227	1.3
180.75519	1.0
181.04970	5.6
183.69221	0.9
193.12199	1.5
225.08949	2.3
226.09885	1.2
229.04880	1.2
229.17003	1.3
242.05736	2.4
243.06563	1.7
253.08615	1.4
257.08075	2.1
257.16467	9.6
265.17902	1.1
269.04315	3.3
270.05164	3.9
285.04483	1.5
285.07520	8.8
285.11136	5.3
285.15921	18.4
285.18735	2.0
285.21872	1.9
285.29636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39625	1.1
53.03930	1.3
54.14224	0.8
54.68923	0.9
55.01851	4.6
55.05499	8.9
57.03428	13.1
57.07051	2.1
59.04966	1.0
62.13918	0.9
63.00022	1.3
64.57906	0.9
65.03929	1.3
67.05492	29.4
68.99758	1.1
69.03412	3.1
69.06746	1.3
69.07053	15.1
70.06583	1.2
71.04965	3.0
71.68186	1.4
73.06519	1.2
79.05476	19.5
80.38158	0.9
81.03426	1.8
81.07041	68.3
83.04963	7.2
83.08603	6.6
85.02872	1.7
85.06523	4.1
91.05457	38.4
91.37515	1.1
93.07025	18.6
95.04958	9.3
95.08587	17.7
95.34663	1.1
97.06507	12.6
98.98428	1.6
99.04420	1.4
99.08066	2.8
103.05479	1.2
105.07012	44.4
107.04925	2.6
107.08576	16.9
109.02844	1.2
109.06501	12.1
109.10133	8.8
111.04424	2.4
111.08080	2.0
113.05962	3.8
115.05429	2.6
117.06995	3.4
119.04911	1.4
119.08556	42.5
119.09415	2.3
121.02847	1.5
121.06485	3.4
121.10114	18.4
123.04472	1.1
123.08055	4.4
123.11684	23.3
124.01572	2.4
125.09591	1.2
127.07534	2.6
128.06203	1.7
129.06984	12.5
131.08543	12.1
133.06480	2.0
133.10103	14.2
135.08032	2.1
135.11658	3.1
137.05994	1.1
137.09578	3.9
137.13213	1.6
141.06898	2.0
142.07732	5.2
143.08507	3.8
145.06458	1.0
145.10074	7.3
147.07997	3.9
147.11658	100.0
149.09584	5.0
152.01038	1.8
153.01758	1.5
153.07152	1.1
153.09013	1.1
155.08502	3.1
156.09282	1.8
157.10092	29.6
159.07965	1.3
159.11642	7.3
161.06055	1.7
163.11107	1.5
165.06978	2.2
165.12726	36.6
169.10100	3.1
170.02121	3.1
171.07941	1.1
171.11642	4.4
173.13185	2.3
175.11165	23.6
181.04910	4.1
183.11626	2.6
185.13203	2.8
187.14728	2.4
189.16301	1.3
191.03387	1.7
193.06479	2.2
193.12202	11.7
197.13228	2.8
199.14787	5.8
201.05431	1.6
210.06715	1.6
211.13214	3.0
211.14867	2.6
213.16342	2.3
221.06047	1.9
225.09163	3.8
225.16309	2.1
227.18056	2.3
229.05013	1.8
229.14296	92.6
230.14606	2.0
238.13120	1.1
242.05701	10.3
243.11311	1.9
253.06277	1.2
253.08485	7.7
267.06778	1.2
267.11176	2.7
267.21088	5.6
269.04459	9.2
270.05182	37.6
271.05612	2.3
285.04221	3.8
285.07541	75.8
285.11349	7.5
285.16812	23.8
285.21948	22.4
285.29373	1.1
286.07990	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01854	2.6
55.05505	11.9
57.03162	1.1
57.03428	20.2
57.07057	1.5
59.04982	1.7
60.33398	0.7
63.00022	1.1
67.05491	15.7
69.03412	2.7
69.07059	6.2
70.06573	2.7
71.04980	4.9
71.69879	0.8
71.70303	1.5
76.03973	1.4
77.55598	0.8
79.05479	15.4
81.03405	36.7
81.07040	23.4
83.04963	7.4
83.08605	13.2
85.02892	37.8
85.06510	1.7
87.04451	1.1
88.07602	4.0
91.05465	20.5
93.07024	15.4
95.04957	15.6
95.08594	11.2
97.02854	1.7
97.06513	3.1
97.10149	2.3
98.98452	1.8
102.09135	2.2
103.05431	0.9
105.07014	15.5
107.04920	3.2
107.08571	7.6
109.06480	2.9
109.10130	3.5
111.04422	1.8
111.08077	8.7
113.05959	2.4
117.06982	2.1
119.08559	11.7
121.06441	0.9
121.10120	7.6
123.08053	2.0
123.11701	2.6
125.09678	1.1
129.07004	5.7
131.04877	1.1
131.08543	6.9
133.06482	0.9
133.10095	9.0
135.11649	1.5
137.09563	1.1
141.06989	1.2
142.07748	1.5
143.08453	1.4
145.10063	2.3
147.07967	2.1
147.11661	10.9
149.09607	3.2
155.08551	1.2
157.06490	1.0
157.10106	10.8
159.11658	2.4
161.05978	0.9
165.06953	3.3
165.12712	2.6
168.05644	1.2
169.06470	1.4
169.10164	1.1
171.07997	0.9
171.11670	1.8
173.13376	0.9
175.11159	11.1
181.04909	5.6
181.06442	2.8
182.07254	2.6
183.07956	2.3
183.11670	1.9
184.05116	1.8
185.13231	1.1
187.14737	1.2
193.06465	1.9
193.12218	37.9
193.14020	1.9
194.07272	1.0
195.08028	2.1
196.05185	1.3
196.08800	1.4
197.05948	1.9
197.09587	1.5
197.13222	1.7
198.06740	1.8
199.03873	4.1
199.07513	4.2
199.14801	1.7
201.09087	1.2
209.05980	1.4
210.06761	6.8
211.04044	1.5
211.07500	17.2
211.13205	23.8
211.14810	1.6
212.08218	1.2
213.05344	1.3
214.06137	2.3
214.09901	1.3
215.14319	1.0
221.05852	2.5
224.04604	1.2
224.08269	3.0
225.05536	1.0
225.09038	12.2
226.09854	10.4
227.03496	2.0
227.06990	19.6
227.10458	1.8
229.04866	1.2
229.08482	1.8
237.05452	2.6
238.06178	3.0
239.03313	1.2
239.06966	3.6
239.10661	1.4
241.08568	2.1
242.05728	12.6
242.09323	8.0
243.06442	4.6
243.11278	1.9
252.07765	2.9
253.04906	1.8
253.08537	9.1
254.09340	13.8
255.06522	14.2
256.07025	1.3
257.04343	1.3
257.08038	9.0
257.11630	9.5
258.08508	0.9
267.24316	7.4
270.05701	1.3
270.08817	26.3
271.06241	1.0
271.09518	2.9
285.07574	22.1
285.11154	100.0
285.16550	17.6
285.22089	7.5
285.25317	22.4
285.29047	1.5
285.29575	1.3
286.08142	3.2
286.11713	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
53.78735	2.7
55.01867	7.8
55.05503	34.6
57.03428	64.3
63.00037	3.8
65.03921	4.0
67.05499	50.0
69.03419	4.8
69.07063	17.8
70.36645	15.9
71.04985	13.5
72.24017	3.6
79.05481	37.4
81.03411	100.0
81.07043	68.0
83.04967	26.2
83.08609	40.1
83.14033	3.3
85.02893	93.8
91.05459	54.5
93.07027	36.3
95.04953	47.1
95.08591	21.6
97.06502	9.2
97.10178	5.8
98.21225	7.2
103.05438	5.4
105.07002	45.8
107.04931	7.2
107.08569	18.3
109.06502	11.7
109.10130	6.8
111.04417	3.5
111.08068	16.9
113.06019	5.7
119.08553	41.6
121.10109	21.8
122.72952	3.4
123.11671	7.6
125.09598	3.1
129.07028	19.1
131.08545	22.2
133.06494	3.9
133.10098	16.6
142.07742	5.9
145.10117	5.1
147.08058	5.8
147.11667	32.5
149.09627	9.0
157.10089	28.5
165.12787	3.8
175.11174	28.5
181.04951	14.0
181.06409	4.5
193.12209	99.2
210.06676	4.7
211.07648	4.5
211.13248	62.8
225.09122	7.2
228.84964	3.6
253.08583	4.1
257.11737	8.1
258.27930	3.9
285.04037	3.8
285.07809	5.6
285.11221	15.3
285.16916	63.2
285.29758	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	285.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01858	6.5
55.05500	28.9
57.03156	3.8
57.03424	47.4
63.00020	2.9
65.03916	2.4
67.05489	44.3
69.03414	7.5
69.07043	15.3
71.05000	12.8
71.42234	2.4
71.42568	5.5
73.82652	2.7
79.05476	33.2
81.03401	91.4
81.07037	53.7
82.79520	2.3
83.04964	19.6
83.08597	38.2
85.02887	86.4
85.06512	3.6
86.23653	2.3
89.54379	2.4
91.05460	51.4
93.07024	29.1
95.04953	46.2
95.08595	21.8
97.02882	5.5
97.06518	8.5
97.10125	6.2
97.11919	2.4
98.20976	3.0
105.07014	42.5
107.04933	7.4
107.08592	12.3
109.06511	10.2
109.10167	4.8
111.04445	3.8
111.08051	24.0
113.05972	7.7
119.08560	26.2
121.10133	18.6
123.08099	5.9
123.11697	3.9
125.09579	2.8
129.07024	15.7
131.08545	19.4
133.06462	4.2
133.10110	14.5
135.04379	11.0
137.09549	4.4
142.07756	6.8
147.08003	4.2
147.11664	32.8
149.09627	7.7
157.10103	25.7
165.12727	7.4
175.11166	31.0
181.04964	15.8
187.45956	3.0
193.12215	100.0
195.11681	2.9
211.11258	4.2
211.13245	73.5
225.09100	4.1
229.14291	2.9
253.08739	3.3
283.91260	3.1
285.07867	5.8
285.11227	13.0
285.16879	56.3
285.21881	4.0
285.29764	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01866	2.5
55.05501	16.1
57.03156	1.4
57.03428	23.2
57.07055	1.3
57.20382	0.6
59.04970	0.9
65.03937	2.1
67.05493	34.5
69.03419	1.4
69.07057	18.5
69.45184	4.5
69.45606	2.5
71.04975	7.2
72.04163	0.6
73.06561	0.9
73.29917	0.6
79.05482	21.4
79.05930	1.5
79.75783	0.7
81.07043	100.0
83.04971	7.5
83.08605	10.5
85.02871	1.1
85.06536	6.5
91.05463	25.1
93.07025	13.5
95.04964	3.1
95.08591	22.1
97.06519	8.5
99.08043	4.1
101.05994	1.5
102.86176	0.8
105.07018	40.6
107.04940	0.7
107.08578	13.5
109.06517	5.9
109.10170	2.5
110.11768	0.7
111.08060	1.3
113.05988	1.5
117.06989	1.1
119.08559	27.8
121.10126	21.5
121.10978	1.4
123.08054	3.8
123.11687	30.2
127.07565	2.6
129.06979	2.6
131.08525	1.8
133.10100	2.9
137.09573	1.1
137.13268	3.2
142.07742	1.0
143.08479	0.8
145.10118	2.0
147.11664	72.9
148.12022	1.3
149.09619	1.0
157.10069	3.7
159.11705	0.8
165.12730	34.9
166.34436	0.8
175.11182	3.0
183.13719	3.4
193.12218	2.0
211.14897	0.7
229.14307	4.5
253.08472	0.8
267.15961	3.2
285.16913	33.7
285.21747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.4
55.01838	4.3
55.05503	15.3
55.68681	1.1
57.03429	19.7
57.07051	1.4
65.03918	3.1
67.05495	35.3
69.03394	1.7
69.07057	20.8
69.88176	2.8
69.88595	3.6
71.04964	5.8
79.05479	24.6
81.03400	2.2
81.07044	100.0
83.04974	7.3
83.08606	8.7
83.63719	1.1
85.02876	1.5
85.06532	6.3
90.64095	1.0
91.04942	2.0
91.05468	33.4
93.07030	18.5
95.04955	8.2
95.08015	1.3
95.08592	22.6
97.06509	12.9
97.10110	1.2
98.20737	1.4
99.04435	1.5
99.08044	4.3
101.05975	1.4
103.05389	1.8
105.07015	64.5
107.04881	1.6
107.07899	1.9
107.08572	15.9
109.06506	9.0
109.10170	6.1
111.08044	2.5
112.93636	1.1
113.05970	2.1
113.48018	1.2
115.05440	1.1
117.06956	2.9
119.08565	41.1
121.06483	1.4
121.10129	21.0
123.04363	1.6
123.08022	5.0
123.11694	33.0
125.09491	1.3
127.07494	2.7
129.06967	9.5
131.08510	6.9
133.10091	12.8
135.04451	1.2
135.08028	1.2
135.11714	1.8
137.09566	2.0
137.13205	1.4
141.06969	1.6
141.09009	1.7
142.07706	3.1
143.08511	2.6
145.10123	6.4
147.08011	2.2
147.11665	89.4
148.50043	1.1
149.09532	3.3
152.01341	1.2
153.06964	1.4
154.07668	1.7
155.08485	2.6
157.10129	17.1
159.11591	3.3
161.05864	2.0
161.13223	1.1
165.06969	2.1
165.11339	2.1
165.12735	42.2
169.06396	2.2
169.10004	2.6
171.11635	3.5
173.13138	2.7
175.11180	11.6
179.08528	2.0
181.04855	5.2
182.07144	1.5
183.11638	2.8
183.13718	3.4
185.13173	1.6
187.14763	2.8
193.06372	1.5
193.12202	7.3
197.13240	1.7
199.14761	2.5
210.06627	3.3
211.07292	1.5
211.13094	1.9
221.05923	3.1
225.09059	5.7
227.06923	1.5
229.14308	44.7
237.29289	1.2
242.05568	1.6
243.06392	1.4
253.08601	7.3
267.21008	2.7
270.08658	1.2
285.07465	4.7
285.11145	9.9
285.16833	39.8
285.21585	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01869	1.6
55.05239	1.0
55.05503	15.9
57.03427	19.9
57.07067	1.3
59.04992	1.2
65.03922	1.7
67.05492	33.2
69.03410	2.0
69.07057	19.1
69.83693	2.0
69.84109	3.7
71.04981	7.1
73.06539	1.0
79.05479	20.3
81.07042	100.0
82.07375	1.1
82.80952	0.9
83.04976	7.5
83.08598	10.5
85.06517	7.1
87.04440	0.9
90.43033	0.9
91.05460	25.7
93.07027	17.8
95.04948	4.1
95.08594	21.6
97.06522	7.5
97.10078	0.9
98.21424	1.6
99.08058	3.6
101.06000	2.0
105.07014	42.1
107.08578	15.5
109.06490	6.3
109.10113	1.9
111.08068	1.9
113.05978	1.6
117.06999	1.0
119.08559	30.5
121.10114	21.9
123.08063	5.1
123.11687	27.7
127.07521	3.2
128.06195	1.1
129.06987	2.9
131.08531	3.1
133.10112	3.9
137.09564	1.4
137.13225	2.4
141.06920	1.0
141.09093	1.7
145.10094	3.2
147.11661	72.4
152.06210	2.6
153.06912	1.7
154.07764	1.3
155.08498	1.8
157.10124	4.6
159.11697	0.9
161.09616	0.9
164.06181	1.0
165.06970	24.1
165.12730	35.4
166.07739	2.6
167.08482	1.6
168.05704	2.4
169.06532	1.4
169.10162	1.8
171.07968	1.4
171.11711	1.3
173.13269	0.9
175.11148	3.2
177.06958	2.3
178.07753	6.3
179.08553	4.9
180.05632	1.3
181.04912	2.5
181.06451	11.5
182.07246	30.1
183.07948	3.5
183.13771	3.7
192.05681	6.9
193.06454	7.0
193.12245	2.7
194.07228	6.9
195.08023	6.0
196.05116	1.6
196.08777	1.6
197.05969	1.1
197.09625	9.3
197.13211	1.1
199.07523	5.2
201.16414	0.9
207.08023	8.4
209.06009	2.5
210.06725	75.0
211.07462	20.3
214.09744	1.4
215.48288	0.9
221.05943	1.4
222.06709	2.5
223.03902	1.4
224.08249	2.0
225.09071	78.2
226.09731	5.6
227.06985	14.7
229.12283	1.0
229.14305	4.0
237.05513	1.7
238.06209	11.0
239.07014	10.0
241.08560	1.9
242.05772	1.7
242.09296	6.7
243.06488	1.2
252.07678	3.0
253.08568	72.4
254.09315	25.8
255.06467	10.0
255.09387	1.3
255.09868	1.2
257.11795	2.0
267.10080	0.9
267.15860	2.8
267.21164	1.1
270.08838	18.4
276.97357	1.1
285.07806	3.8
285.11166	78.6
285.16824	36.7
285.22089	5.5
285.29507	1.1
286.11490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01841	4.2
55.05503	37.3
57.03424	54.3
57.07066	2.1
59.04974	2.2
64.01865	2.1
67.05489	43.6
69.03407	7.3
69.07047	13.0
71.04984	13.1
79.05478	35.9
81.03406	96.1
81.03877	5.3
81.07040	52.8
83.04971	20.2
83.08607	31.2
83.12170	2.1
85.02890	95.9
85.06541	3.9
91.05467	45.8
93.07027	32.0
95.04329	2.5
95.04948	44.8
95.08585	20.0
97.02882	5.7
97.06504	6.8
97.10143	4.7
98.21552	3.5
105.07015	37.6
107.04930	10.7
107.08584	15.1
109.06494	6.5
109.10129	5.6
111.04409	5.1
111.08057	21.9
113.05975	7.2
115.05425	2.1
117.06994	4.1
119.08566	29.8
121.10105	18.0
123.08047	4.6
123.11673	5.7
129.06976	16.4
131.08545	16.4
133.06493	3.0
133.10091	15.1
137.09604	3.5
142.07747	4.4
145.10068	4.2
147.08032	3.8
147.11655	31.0
149.09605	6.4
157.10107	26.7
165.12689	4.1
171.01385	3.2
175.11151	29.5
181.04942	5.4
183.13658	2.1
193.12216	100.0
210.82166	2.2
211.13252	78.2
267.15884	3.2
285.07751	2.4
285.11359	2.1
285.16928	52.1
285.29886	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	285.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01851	5.1
55.05502	28.1
57.03428	60.5
57.07052	2.7
59.04953	1.9
60.05926	1.6
61.46174	2.2
63.00020	2.8
63.51697	1.6
65.03918	2.6
67.05490	50.3
69.03406	6.0
69.07057	12.7
70.88709	3.8
70.89082	3.5
71.04984	14.7
79.05027	2.1
79.05479	42.4
81.03403	94.0
81.07044	60.4
83.04971	23.5
83.08604	40.4
85.02892	100.0
85.06521	4.3
87.04466	1.6
91.05462	55.9
93.07030	30.8
95.04955	46.3
95.08579	23.0
97.02874	4.7
97.06498	7.3
97.10125	5.7
99.08081	2.9
105.06341	2.5
105.07016	44.8
107.04922	7.2
107.08573	13.3
109.06528	10.0
109.10120	5.6
111.04395	5.7
111.07399	2.4
111.08074	22.1
113.06023	9.7
117.06967	3.0
119.07753	1.9
119.08574	33.2
121.10131	21.3
123.08029	6.4
123.11665	6.8
125.09553	2.5
129.06985	14.4
131.08551	16.8
133.06448	4.1
133.10103	16.4
137.09608	4.2
142.07703	5.0
144.80968	2.0
145.10022	4.1
147.08034	5.6
147.11678	25.1
149.09578	9.4
157.10085	24.4
165.12708	4.7
175.11151	29.8
181.04909	7.6
187.87523	1.7
190.15817	2.1
193.12209	99.5
194.12474	2.9
211.13261	72.6
265.20828	2.0
268.49393	1.9
285.07864	2.3
285.11212	4.7
285.16913	61.5
285.21805	2.7
285.33319	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0919
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.79526	0.1
56.96555	1.8
69.03390	0.2
70.06561	0.2
72.63950	0.1
74.97601	0.4
78.03442	0.4
80.05004	2.6
85.02891	0.4
86.97578	0.2
96.04482	2.2
98.97540	0.3
116.98589	0.3
124.03928	100.0
125.04257	0.6
132.98099	0.2
150.99078	0.6
153.48305	0.1
161.04843	0.6
163.03873	0.4
169.00165	0.3
179.05919	0.3
193.73761	0.2
232.96474	0.2
286.09171	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	286.0916
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03950	0.5
53.96806	0.3
56.94249	0.3
56.96545	0.8
57.03423	0.6
61.02906	1.0
69.03413	1.9
70.87093	1.2
71.38121	0.3
78.03438	0.4
80.04990	2.1
81.03385	1.2
85.02895	7.1
96.04463	1.9
97.02896	2.1
98.97585	0.4
106.02894	1.6
109.02847	0.9
123.04397	0.5
124.03929	100.0
125.04247	0.6
127.03899	1.3
145.04942	1.1
163.03818	0.4
175.47879	0.4
191.25761	0.3
286.09180	5.5
287.05389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.3
60.14287	0.2
70.06576	0.2
70.93286	0.3
70.93651	0.4
74.47666	0.2
74.54522	0.2
74.88089	0.2
78.03432	0.3
80.05006	3.9
80.79643	0.2
85.02873	0.2
96.04478	2.4
98.97552	0.2
106.02907	0.3
110.07148	0.5
124.03933	100.0
125.04276	0.8
154.55878	0.2
163.03943	0.2
163.12389	0.2
172.19746	0.2
172.83716	0.2
191.66281	0.2
231.23447	0.2
237.59149	0.2
268.08301	0.2
286.09171	17.9
287.09448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.5
56.05015	0.8
57.06796	0.6
57.07066	9.3
57.99268	0.5
60.04504	0.6
60.42479	0.4
67.05175	0.7
67.05494	6.2
68.05016	17.6
69.07050	5.9
70.06589	0.5
70.99447	1.4
71.04977	3.3
71.08614	4.9
72.04517	0.5
72.74538	0.5
79.05470	1.6
81.07040	8.2
82.06573	5.8
83.08604	4.9
85.10165	1.6
86.06038	0.7
91.66537	0.5
93.06969	0.7
95.08591	7.9
96.08094	1.2
97.10166	2.6
100.07583	0.5
102.82716	0.5
109.10131	3.2
123.11684	0.8
165.06931	1.3
166.07343	2.4
173.80338	0.5
179.08240	0.5
180.08823	1.0
181.06494	0.7
182.06981	1.8
183.07590	3.7
193.06038	1.0
194.06931	0.8
195.07895	1.6
196.08383	0.8
198.09901	1.8
208.08286	0.9
210.06731	2.7
211.07094	11.7
212.07736	0.8
225.08978	2.2
226.09396	10.6
227.10620	1.0
233.89568	0.4
239.06805	0.7
239.37663	0.5
240.26770	1.1
250.25253	31.7
251.25641	0.8
253.08620	0.9
254.08890	7.5
255.10013	0.9
268.26303	100.0
269.26620	3.3
271.09485	2.7
286.11850	5.0
286.27353	69.6
287.27783	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	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68591	0.1
53.03915	0.2
55.05480	0.2
55.89898	0.1
65.03918	0.3
67.01832	0.5
67.05496	0.2
68.99777	2.5
69.03394	0.5
69.78909	0.7
69.79314	0.2
72.08112	0.1
79.05486	0.7
81.03384	0.4
81.07028	0.4
91.05450	0.4
93.07014	0.3
94.07702	0.2
95.04942	0.4
97.02853	0.2
97.16540	0.2
98.20678	0.2
103.05432	0.2
105.03370	0.9
107.04903	1.0
109.02850	0.7
109.10123	0.2
111.00785	1.1
111.04413	0.5
117.06911	0.2
119.04882	0.2
119.08532	0.1
120.08080	0.1
121.02838	5.9
121.03764	0.3
123.04343	0.2
127.03899	0.3
129.06950	0.4
129.09390	0.1
133.02815	0.8
133.06424	0.2
135.04370	0.7
135.07997	0.2
136.07544	0.2
137.02324	2.3
137.09557	0.3
141.06969	0.3
143.04958	0.2
145.06430	0.5
146.15434	0.1
147.04381	1.4
149.02296	0.3
151.03903	0.2
153.01788	10.7
157.06435	1.6
161.02342	0.2
161.05937	0.5
163.03847	0.2
164.06941	0.1
165.01804	2.8
165.09044	0.3
169.06403	0.2
171.02968	0.3
171.04362	0.7
175.03828	0.2
183.02821	1.3
185.05907	1.3
189.05428	0.4
195.11620	0.2
197.05959	0.4
203.03418	0.2
203.07011	0.3
213.05408	3.3
223.04053	0.2
226.07468	0.2
229.04944	0.3
231.06441	1.3
241.04887	1.5
241.09703	0.3
245.04398	0.3
258.05185	2.2
258.22290	0.1
259.05981	0.8
269.04346	0.5
287.05429	100.0
288.05765	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	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.02383	0.1
53.03928	0.2
54.18637	0.1
54.31821	0.1
55.01854	0.1
59.88485	0.0
65.03933	0.3
67.01856	0.4
68.73634	0.1
68.99402	0.1
68.99776	2.6
69.03431	0.3
69.37613	0.6
70.28044	0.1
71.01337	0.1
72.69115	0.0
77.03940	0.1
79.05477	0.6
81.03405	0.3
83.01337	0.1
84.77953	0.1
91.05451	0.1
91.45720	0.1
94.04167	0.1
95.01295	0.1
95.04958	0.5
97.02846	0.1
98.21391	0.1
103.05434	0.3
105.03365	1.0
107.04935	1.2
109.02861	0.8
111.00782	1.7
111.04408	0.5
115.05411	0.2
117.07002	0.1
119.04929	0.1
119.40861	0.1
121.02842	7.5
121.03869	0.3
127.03863	0.3
128.06178	0.2
129.06946	0.4
131.04884	0.1
133.02829	1.0
133.06450	0.1
135.04408	0.4
135.08031	0.1
137.02313	2.4
138.49638	0.1
139.05450	0.1
141.06949	0.2
143.04900	0.1
145.02759	0.1
145.06468	0.6
147.04370	1.4
149.02307	0.1
151.03900	0.1
153.01796	11.8
154.02164	0.1
155.06024	0.1
157.06454	1.5
160.05203	0.1
161.05956	0.4
163.03984	0.1
165.01805	3.8
166.02419	0.1
167.04860	0.1
169.06464	0.1
171.02921	0.1
171.04341	0.8
173.05965	0.2
175.03914	0.2
175.07544	0.1
179.03371	0.1
183.02858	1.8
183.04430	0.1
184.05125	0.1
185.05920	1.1
189.05420	0.3
191.03355	0.1
194.02045	0.1
197.05960	0.3
199.03873	0.2
201.05437	0.1
203.03413	0.2
203.07016	0.3
212.04678	0.1
213.05414	3.5
214.05849	0.1
216.04231	0.2
217.04926	0.2
223.03967	0.1
225.05293	0.1
229.04858	0.5
231.06496	1.4
241.04883	1.7
242.05679	0.1
243.06409	0.2
245.04437	0.2
257.04529	0.1
258.02344	0.1
258.05176	2.3
259.05991	0.9
263.05603	0.1
269.04352	0.4
270.04932	0.1
286.04388	0.1
287.05438	100.0
288.05780	3.2
288.09082	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	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.98308	0.0
53.03947	0.1
55.01861	0.2
61.36990	0.1
65.03929	0.4
67.01854	0.4
68.99400	0.1
68.99777	2.7
69.03411	0.3
70.04723	0.3
71.01353	0.1
77.03907	0.1
79.05486	0.7
81.03403	0.4
83.01330	0.1
85.02892	0.1
91.05417	0.1
93.03460	0.1
95.01328	0.1
95.04944	0.4
97.02899	0.2
98.21336	0.1
102.14709	0.1
103.05447	0.3
105.03373	1.0
105.07014	0.1
107.04935	1.3
109.02869	1.1
110.02135	0.1
111.00787	1.7
111.04417	0.6
115.05437	0.3
117.07019	0.2
119.04928	0.2
119.08575	0.1
121.02850	7.3
121.03911	0.3
122.03220	0.1
123.04388	0.1
123.08260	0.1
127.03912	0.3
128.06221	0.1
129.06976	0.4
131.04938	0.1
133.02824	0.8
133.06429	0.1
135.04399	0.3
136.07550	0.1
137.02321	2.5
139.05424	0.1
141.06918	0.3
143.04889	0.1
145.02859	0.1
145.06468	0.5
147.04387	1.5
151.03864	0.2
153.01802	12.1
154.02158	0.1
155.04865	0.1
155.06035	0.1
157.06470	1.6
160.05200	0.1
161.02333	0.1
161.05984	0.5
163.03845	0.1
164.06960	0.1
165.01817	4.2
166.02264	0.1
169.06456	0.2
171.02927	0.1
171.04355	0.7
173.05966	0.1
175.03891	0.2
175.07564	0.1
179.03552	0.1
183.02873	1.6
183.04391	0.1
184.05164	0.1
185.05945	1.3
186.06308	0.1
187.03972	0.1
189.05336	0.3
194.02136	0.2
195.04366	0.1
195.46738	0.1
197.05963	0.3
199.03845	0.2
201.05463	0.1
203.03383	0.2
203.07004	0.3
208.77338	0.1
213.05435	3.5
214.05795	0.1
216.04172	0.2
217.04881	0.2
218.05788	0.1
219.06506	0.1
229.04880	0.5
231.06485	1.4
241.04919	1.6
242.05640	0.1
243.06488	0.2
245.04369	0.2
258.05206	2.6
259.06012	0.9
260.84012	0.1
269.04480	0.4
272.03061	0.1
286.04608	0.1
287.05450	100.0
288.05783	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
59.47185	0.1
65.03926	0.4
66.18568	0.2
67.01842	0.5
67.05471	0.2
68.99776	2.2
69.03420	0.2
69.83683	0.4
69.84095	0.5
79.05468	0.6
81.03374	0.3
88.72739	0.2
89.28989	0.2
93.06992	0.2
95.04933	0.5
95.08588	0.2
97.06506	0.4
103.05476	0.2
105.03373	0.8
105.07000	0.2
107.04939	0.8
107.08510	0.1
107.79067	0.1
109.02856	0.8
109.10138	0.1
109.32195	0.1
111.00796	1.2
111.04395	0.5
111.65778	0.1
115.05442	0.2
117.06972	0.2
119.04916	0.2
119.08544	0.3
121.02845	5.9
121.03767	0.3
127.03861	0.3
129.06987	0.4
133.02826	0.8
133.06476	0.2
133.10091	0.2
135.04388	0.2
137.02330	2.1
141.06967	0.3
145.06445	0.7
145.10162	0.2
145.17960	0.2
147.04396	1.4
147.11612	0.2
150.14941	0.1
153.01799	10.7
157.06462	1.2
159.11542	0.2
161.05931	0.5
165.01804	3.0
169.06471	0.2
171.02951	0.2
171.04367	0.5
175.03912	0.2
183.02873	1.8
185.05920	1.4
189.05391	0.4
199.14998	0.2
203.03450	0.2
203.06918	0.2
213.05432	2.9
214.05888	0.2
229.04897	0.5
231.06429	1.2
241.04941	1.4
243.06371	0.1
245.00110	0.1
258.05203	2.1
259.05923	0.7
262.10767	0.2
269.04346	0.4
287.05441	100.0
287.23624	0.4
288.05783	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39949	0.1
53.03934	0.2
55.01858	0.2
65.03914	0.4
67.01843	0.3
68.99414	0.2
68.99774	2.4
69.36841	1.7
79.05476	0.6
81.03406	0.4
86.45586	0.1
91.05449	0.2
93.03401	0.2
95.04949	0.3
97.02832	0.2
103.05463	0.3
105.03391	1.0
107.04926	1.3
109.02852	0.8
111.00777	1.8
111.04411	0.5
115.05442	0.3
117.07019	0.2
119.04909	0.4
121.02839	7.5
121.06435	0.2
122.03152	0.2
127.03880	0.3
128.06273	0.2
129.06982	0.5
133.02834	0.9
133.06425	0.2
135.04378	0.3
137.02321	2.7
141.06969	0.3
143.04861	0.2
145.06425	0.6
147.04370	1.3
147.07965	0.2
153.01794	11.4
154.02135	0.2
155.06009	0.2
157.06433	1.6
161.05922	0.6
165.01807	3.8
171.02898	0.2
171.04384	0.6
173.06143	0.2
175.03847	0.2
183.02843	1.8
184.05203	0.2
185.05925	1.3
189.05379	0.4
197.05956	0.2
203.06963	0.3
213.05418	3.3
216.04242	0.2
227.03496	0.2
229.04893	0.5
231.06442	1.4
236.10915	0.1
241.04922	1.7
242.05614	0.3
243.06471	0.3
258.05215	2.6
259.05957	0.9
269.04437	0.4
269.12848	0.3
287.05435	100.0
288.05792	3.9
288.08667	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	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.02377	0.1
53.03930	0.1
54.49216	0.1
55.01859	0.2
55.05501	0.2
58.87488	0.1
65.03919	0.4
67.01845	0.4
67.05493	0.2
68.99778	2.7
69.03423	0.4
69.07040	0.2
69.68204	0.7
71.04975	0.1
75.45276	0.1
79.01838	0.1
79.05486	0.9
81.03382	0.4
81.07037	0.5
83.01358	0.1
85.02879	0.1
91.05453	0.4
93.03367	0.1
93.07017	0.4
95.04960	0.6
95.08583	0.3
97.02853	0.2
103.05460	0.4
105.03380	1.1
105.07010	0.5
107.04939	1.4
107.08564	0.5
109.02863	0.9
109.10140	0.3
111.00781	1.6
111.04414	0.6
111.22289	0.1
115.05430	0.2
117.06987	0.3
119.04921	0.3
119.08554	0.4
121.02843	7.6
121.03899	0.3
121.06509	0.2
121.10114	0.2
122.03217	0.1
123.04362	0.1
127.03879	0.3
128.06201	0.2
129.06960	0.5
131.04880	0.1
131.08536	0.2
133.02829	1.2
133.06494	0.2
133.10103	0.4
134.03607	0.1
135.04382	0.4
135.08070	0.2
135.11693	0.2
137.02325	2.2
138.79968	0.1
141.06998	0.5
143.04854	0.1
145.02797	0.1
145.06462	0.6
145.10095	0.2
147.04373	1.5
147.08026	0.1
147.11629	0.3
153.01802	12.2
154.02138	0.2
155.06067	0.2
157.06461	1.4
157.10135	0.2
158.06995	0.1
159.08157	0.1
159.11652	0.3
161.02364	0.2
161.05954	0.5
161.09595	0.2
164.07059	0.1
165.01802	3.5
166.02451	0.1
169.06451	0.2
171.02896	0.2
171.04344	0.8
171.11620	0.1
173.05952	0.1
173.13269	0.2
175.03902	0.3
175.07584	0.1
177.05489	0.1
179.03340	0.1
181.01422	0.1
183.02856	1.9
183.04428	0.1
184.05145	0.1
185.05917	1.2
185.45155	0.1
187.14812	0.2
189.05447	0.3
194.02106	0.1
197.05971	0.4
199.03838	0.1
201.05392	0.2
203.03467	0.2
203.06998	0.3
205.30930	0.1
212.04684	0.1
213.05428	3.7
213.16328	0.1
216.04160	0.2
217.04936	0.1
225.05411	0.1
229.04907	0.5
231.06461	1.4
241.04915	2.0
241.19385	0.1
242.05672	0.2
243.06488	0.1
245.04410	0.2
257.04474	0.1
258.05206	2.4
259.06003	1.1
264.27621	0.1
269.04520	0.4
269.12555	0.1
269.19244	0.1
269.22250	0.1
270.04968	0.1
287.05441	100.0
287.23221	0.5
288.05792	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01858	0.2
58.06562	0.2
65.03915	0.4
67.01839	0.4
67.05482	0.2
68.99776	2.0
69.03423	0.3
69.07047	0.4
70.06552	0.2
74.43935	0.2
79.05481	0.9
81.03395	0.3
85.02865	0.3
91.05450	0.3
93.03372	0.2
95.04951	0.4
97.02840	0.2
105.03368	0.7
105.07012	0.2
107.04938	1.2
109.02859	0.7
111.00782	1.8
111.04395	0.6
113.02328	0.7
115.05409	0.3
117.07024	0.2
119.04914	0.4
121.02843	6.2
121.03799	0.3
129.06956	0.5
130.42252	0.2
131.04823	0.2
133.02786	0.9
134.03551	0.2
135.04384	0.3
137.02309	2.1
137.05916	0.2
139.05441	0.2
145.06471	0.5
147.04385	1.9
149.02290	0.5
153.01801	10.2
154.02087	0.2
157.06419	1.5
161.05936	0.6
163.03864	0.4
165.01801	3.4
169.06500	0.3
171.04410	0.7
173.05923	0.3
175.03848	0.8
177.05426	0.2
183.02884	1.3
185.05914	1.4
189.05412	0.3
193.04944	0.7
197.05835	0.3
199.03821	0.3
201.05482	0.3
203.03351	1.3
203.07010	0.4
213.05406	3.3
217.04926	0.4
226.07394	0.3
229.04951	0.5
231.06497	1.4
241.04898	1.7
241.09625	0.3
243.06474	0.2
245.04417	0.9
258.05167	2.1
259.05905	1.1
269.04355	0.6
269.09106	0.2
287.05444	100.0
287.10471	2.8
288.05780	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.02339	0.1
52.33711	0.1
53.03925	0.3
55.01858	0.2
55.05491	0.2
56.89038	0.1
65.03922	0.5
67.01852	0.5
67.05482	0.5
68.99780	2.3
69.03411	0.4
69.07053	0.5
71.01336	0.2
71.04970	0.2
71.68176	0.2
73.97459	0.1
78.01015	0.1
79.05476	0.8
81.03391	0.3
81.07043	1.0
83.04959	0.2
83.08577	0.1
91.05445	0.5
93.07016	0.6
94.04145	0.1
95.04949	0.6
95.08578	0.9
97.02834	0.2
103.05456	0.4
105.03362	1.1
105.07012	0.9
107.04929	1.2
107.08573	0.6
109.02858	0.9
109.06487	0.2
109.10132	0.6
111.00775	1.5
111.04423	0.3
111.64433	0.1
115.05413	0.3
117.06993	0.4
119.04942	0.3
119.08591	0.8
121.02843	7.5
121.03887	0.3
121.06487	0.3
121.10106	0.5
123.04399	0.1
123.11681	0.4
125.02316	0.1
125.09573	0.1
127.03878	0.3
128.06187	0.2
128.26372	0.1
129.06998	0.5
131.04884	0.2
131.08525	0.4
133.02815	0.9
133.06488	0.2
133.10129	0.5
135.04404	0.6
135.07997	0.2
135.11661	0.2
137.02307	2.4
139.05374	0.1
141.06924	0.2
143.08519	0.2
145.02818	0.1
145.06445	0.6
145.10118	0.6
147.04373	1.4
147.08078	0.1
147.11655	0.5
149.13229	0.2
151.03923	0.2
153.01796	11.7
154.02148	0.2
155.06021	0.1
157.06450	1.7
157.10091	0.3
159.11674	0.5
161.05913	0.5
161.13193	0.2
165.01811	3.6
169.06427	0.2
170.10796	0.1
171.02852	0.5
171.04358	0.8
171.11635	0.2
173.05948	0.1
173.13235	0.3
175.03853	0.3
175.07596	0.2
175.14818	0.1
183.02873	1.8
184.05112	0.1
185.05928	1.6
185.13210	0.3
189.05460	0.4
189.16405	0.1
191.03384	0.1
197.05951	0.3
199.03864	0.2
199.14754	0.2
201.05589	0.1
201.16400	0.6
203.03304	0.3
203.07031	0.2
213.05415	3.2
213.16423	0.2
215.17882	0.1
216.04149	0.1
217.04922	0.2
226.06256	0.1
227.17818	0.2
229.04892	0.4
230.05493	0.1
231.06450	1.1
241.04866	1.5
241.08649	0.2
241.19296	0.1
242.05687	0.2
243.06439	0.3
245.04526	0.2
257.04449	0.1
258.05206	2.6
259.05966	0.8
263.05328	0.1
269.04370	0.4
269.12689	0.1
269.19626	0.1
269.22604	0.6
287.05435	100.0
287.23645	1.7
288.05756	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.091
Annotation	Coeloginanthrin
Peak:m/z	Relative Intensity
53.03934	0.7
55.01863	0.4
55.05503	3.1
56.96543	1.1
57.07055	1.4
57.45808	0.4
61.76874	0.4
62.67130	0.4
64.99705	0.5
65.03929	0.6
67.05494	3.1
68.99772	1.9
69.03410	0.8
69.07053	4.9
70.03760	0.4
70.62798	0.5
71.04978	3.7
71.08623	0.7
71.69475	0.7
78.92318	0.5
79.05477	4.0
81.03376	0.7
81.07039	9.1
83.04958	0.8
83.08568	2.3
85.02868	0.5
85.06521	0.8
91.05461	5.9
93.07020	6.2
95.04967	1.4
95.08586	7.2
97.06501	0.8
98.97572	0.5
98.98427	0.6
103.05441	0.8
105.03420	0.5
105.07013	14.1
107.04934	1.0
107.08577	6.9
109.02899	0.6
109.06465	0.8
109.10139	5.6
111.00764	0.8
111.04427	0.6
115.05438	0.8
117.06985	2.9
119.08553	21.3
121.02845	4.3
121.06483	0.8
121.10148	5.2
123.04441	0.8
123.08058	1.0
123.11669	1.5
125.09627	0.9
127.11196	4.1
128.06204	1.5
129.06999	2.2
130.07719	0.9
131.08531	5.0
133.02861	0.6
133.10109	10.0
134.63609	0.5
135.04297	0.5
135.08028	0.8
135.11665	2.0
137.02306	1.4
137.09537	0.7
139.05363	0.5
141.06972	1.2
142.07761	1.3
143.08531	4.0
144.09337	0.7
145.06500	0.8
145.10094	12.9
147.04364	1.4
147.11639	4.1
149.09691	0.5
149.13219	1.4
152.06056	0.5
153.01776	6.8
153.06924	1.3
155.08525	0.5
156.09286	0.8
157.06458	1.8
157.10104	6.3
158.10884	0.6
159.11652	10.7
161.09599	0.8
161.13216	2.0
163.14781	0.9
165.01834	1.3
165.06914	0.6
167.04918	0.5
168.05690	1.6
169.06435	0.9
169.10126	0.8
170.10805	0.8
171.04390	0.9
171.08076	0.6
171.11682	4.9
172.12512	0.7
173.05943	0.6
173.13226	4.3
175.03867	0.9
175.07637	0.6
175.11275	0.8
175.14772	1.0
177.16402	0.9
181.06435	3.3
182.07144	0.5
183.02896	0.7
183.04428	1.4
183.11627	0.8
184.05183	3.8
185.05940	3.4
185.13222	5.8
187.14786	2.0
189.05446	0.6
189.16345	3.2
196.05215	1.0
197.05945	2.0
198.06674	3.1
199.03902	1.2
199.07455	3.2
199.14732	2.8
200.04620	0.9
201.05330	3.9
201.16342	22.3
203.03400	0.7
203.06970	0.6
209.05968	1.2
211.03873	1.3
211.07390	1.2
212.04588	3.1
213.05420	13.3
213.09039	0.9
213.12515	0.6
213.16362	3.7
214.06036	1.2
215.06969	1.2
215.17935	0.9
216.04137	1.2
216.07721	1.4
217.08580	0.7
226.06203	12.6
226.17030	0.6
227.06967	10.5
227.17885	1.4
228.04106	0.5
228.07745	5.9
229.04919	11.5
229.08398	1.7
230.05476	0.8
231.06564	1.0
231.08873	0.7
231.17422	0.8
237.05383	0.9
239.03238	1.1
240.04111	1.8
241.04953	4.1
241.08540	12.2
242.05177	0.7
243.02824	1.4
243.06477	4.6
244.03651	1.6
244.07039	8.9
245.04327	0.8
245.18761	0.7
254.05669	2.7
255.02824	0.7
255.06468	5.2
256.07257	13.8
256.09909	1.0
257.04440	4.3
257.06998	1.0
258.05191	1.7
259.06058	1.2
259.09604	5.6
269.08032	11.1
269.12573	0.6
269.19565	0.9
269.22610	4.3
270.08575	0.9
271.05917	0.7
272.03491	1.0
272.06671	30.8
273.07028	1.6
287.05463	74.1
287.09048	100.0
287.20004	2.9
287.23636	17.3
288.05814	4.3
288.09415	4.3
297.40240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0911
Annotation	4,6-Dimethoxy,2,3,7-trihydroxyphenanthrene
Peak:m/z	Relative Intensity
53.03924	0.6
55.01852	1.0
55.05503	2.8
57.03418	0.8
57.07068	1.3
63.00019	0.5
65.03894	1.0
67.01840	0.6
67.05495	3.9
68.99764	2.4
69.03401	0.8
69.07051	5.4
71.04979	4.3
71.70094	0.6
71.70449	0.7
79.05476	3.8
81.06614	0.7
81.07044	10.2
83.04935	0.9
83.08592	2.0
85.06539	0.6
91.05465	5.1
93.07024	6.8
95.04962	1.0
95.08014	0.6
95.08593	8.7
97.06516	0.9
98.98418	0.8
99.08087	0.8
100.57995	0.6
103.05440	1.1
105.03370	0.8
105.06339	0.7
105.07015	13.8
107.04883	1.0
107.08573	6.7
109.06459	0.8
109.10135	7.1
111.00761	1.5
115.05450	1.1
117.06970	3.0
119.08566	27.2
121.02831	4.3
121.06460	1.0
121.10110	4.8
123.08025	0.7
123.11675	2.1
123.73505	0.5
125.09602	0.8
125.75645	0.5
126.83179	0.5
127.11173	3.6
128.06244	1.4
129.06960	1.9
131.08553	6.9
133.09178	0.7
133.10107	10.5
135.04390	0.6
135.07985	1.0
135.11665	1.9
137.02295	1.7
142.07710	1.4
143.08546	3.4
144.09277	1.1
145.06491	0.6
145.08972	0.8
145.10101	12.7
147.04379	1.8
147.08038	1.2
147.11647	4.8
149.09543	0.9
149.13223	2.0
152.06221	0.9
153.01784	7.4
153.06937	1.5
155.08513	0.8
156.09291	1.5
157.06442	1.9
157.10100	8.0
159.11670	13.8
161.05893	0.7
161.09584	1.1
161.13246	3.1
163.14748	0.7
165.01773	2.4
168.05629	0.6
169.06400	1.4
169.10074	0.9
170.07266	0.7
170.10866	0.8
171.04385	1.3
171.08020	1.2
171.11693	5.1
172.12399	1.0
173.05916	1.3
173.13249	4.7
175.11118	1.0
175.14754	1.9
177.16330	0.6
181.06435	2.8
183.04405	1.1
183.07939	0.9
184.05208	3.7
185.05959	3.3
185.13226	4.9
186.13976	1.1
187.14757	1.7
189.16339	4.2
197.05904	2.1
197.13173	0.6
198.06636	2.6
199.03813	1.1
199.07515	3.7
199.14839	3.1
201.05312	3.3
201.16360	22.1
203.14359	0.9
205.15794	0.6
209.05968	1.1
210.06691	0.7
211.03789	1.8
211.07452	1.3
212.04663	3.6
213.05437	12.2
213.16328	4.2
215.06857	0.8
215.17822	1.3
216.07722	1.7
223.03860	0.6
225.05397	0.6
226.06219	12.9
227.06990	12.2
227.14310	0.6
227.17882	0.9
228.07770	7.8
229.04922	11.6
229.08453	1.6
229.19446	1.0
230.05418	1.0
231.06418	1.5
237.05325	0.8
239.03358	0.9
240.04156	2.1
241.04901	4.5
241.08537	11.8
241.19351	0.8
242.05711	0.7
242.08849	0.6
243.02832	0.7
243.06447	4.1
244.03619	1.4
244.06960	11.1
245.04433	0.6
254.05710	3.0
255.06464	5.1
256.07260	13.8
257.04501	3.2
257.07083	0.9
258.05136	1.9
259.05878	1.0
259.09515	5.8
269.04919	0.7
269.08038	9.2
269.19553	0.8
269.22598	6.1
270.08588	0.6
272.03445	1.0
272.06686	30.3
273.07092	1.1
287.05414	77.0
287.08994	100.0
287.19980	2.6
287.23587	19.5
288.05722	4.1
288.09341	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	287.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01846	1.6
55.05505	13.6
56.87618	1.2
57.03424	2.2
57.07059	3.1
59.04964	1.5
65.03921	3.5
67.05492	31.4
67.44530	1.3
68.99783	3.7
69.03423	4.6
69.07052	15.8
71.04966	3.0
71.08617	1.3
71.70147	1.5
71.70549	1.9
78.87515	1.3
79.05481	29.0
81.03406	2.0
81.07040	42.7
83.04971	5.5
83.08586	7.4
85.06554	1.5
91.05462	34.0
91.06020	1.7
93.07027	64.2
95.04928	9.0
95.08588	42.9
97.06509	7.0
97.10146	3.8
99.04406	1.7
103.05434	1.8
103.45808	1.3
105.07005	32.5
107.04941	2.9
107.08578	81.5
107.16138	1.4
109.02875	2.3
109.06516	5.0
109.10138	27.7
111.00807	2.2
111.04415	11.7
111.08034	6.8
117.07001	8.5
118.06535	1.5
119.08557	27.3
121.02839	4.9
121.06483	4.7
121.10119	33.0
123.04410	3.0
123.08044	2.5
123.11681	6.4
125.05972	6.3
125.09590	12.0
128.06206	1.7
129.06989	3.3
131.08560	15.7
133.10107	19.9
135.04385	3.6
135.08031	6.4
135.11668	39.5
137.02370	2.7
137.05934	3.3
137.09570	2.2
137.13200	1.6
139.07513	33.8
140.07895	1.3
141.07007	2.1
142.07776	3.5
143.08545	7.1
145.06377	1.7
145.10086	20.3
147.04369	2.4
147.11671	12.9
149.05908	1.7
149.13223	18.2
151.07494	1.5
153.01788	10.5
153.09087	87.0
154.09416	1.5
157.10106	12.1
159.11655	19.4
161.09689	2.6
161.13242	7.0
161.73080	1.4
163.11153	1.6
163.14767	4.5
164.07043	4.7
165.01807	2.3
165.09117	3.5
165.12738	2.2
169.10092	1.7
171.04343	2.2
171.11641	8.6
173.05862	1.6
173.09578	2.1
173.13246	8.5
175.11183	1.8
175.14822	3.2
177.05371	1.7
177.09105	3.7
177.12665	2.7
177.16391	1.5
179.10709	3.7
180.41045	1.2
181.06487	1.7
185.05894	1.6
185.09558	1.3
185.13248	6.9
187.11203	4.3
187.14764	4.9
189.12784	1.5
189.16357	4.0
191.10648	13.0
193.12291	2.4
198.06659	1.7
199.07573	2.0
199.11157	1.4
199.14789	3.6
201.05663	1.6
201.12822	1.6
201.16270	6.8
203.10606	3.4
205.12201	22.2
212.04665	1.7
213.05536	3.9
213.16299	6.4
215.17912	2.2
217.12236	10.5
219.13779	2.7
226.06311	2.6
227.06909	2.7
227.14374	2.1
227.17937	3.1
229.19501	2.8
231.13773	16.0
241.04829	2.0
241.08649	4.5
241.19481	2.9
243.20943	2.1
245.15381	5.0
258.05347	2.8
258.09973	1.5
259.06052	1.6
259.09631	1.6
269.08197	2.2
269.12811	6.5
269.19043	3.5
269.22644	9.4
272.06622	1.5
287.05496	100.0
287.09091	12.3
287.13657	7.7
287.16904	3.2
287.20038	77.2
287.23639	30.5
288.05862	4.7
288.09445	1.9
288.20398	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71760	0.7
53.03925	1.9
53.41090	0.7
54.99235	0.7
55.01850	2.2
55.05492	0.9
56.96553	24.9
57.03428	6.6
58.99849	1.8
59.04972	1.0
61.02916	15.4
62.03242	1.1
69.03416	13.4
69.20380	0.8
69.38187	5.7
69.38609	3.1
70.03741	2.5
70.06569	2.1
70.98100	1.5
70.99838	0.9
71.04980	7.6
71.95258	0.8
72.05308	1.7
72.08130	1.0
73.02893	8.3
74.03229	1.4
75.26611	0.8
77.00884	1.6
78.91302	0.7
81.03403	3.7
82.03713	1.6
82.06561	0.9
82.99817	1.7
83.01311	1.0
83.04958	1.5
84.08118	3.2
84.96021	1.3
85.02886	17.4
86.03210	3.4
87.04438	3.5
88.01874	0.8
88.04782	1.1
91.02385	0.8
91.03929	2.5
96.81683	0.8
97.02295	3.5
97.02867	17.4
98.01260	0.9
98.03215	4.1
98.21567	1.2
98.96960	1.5
98.97562	17.8
99.04435	2.5
99.97887	1.3
100.97985	0.7
101.00853	20.4
102.01564	1.1
103.00568	1.2
103.03902	1.0
103.19621	0.7
104.01234	1.7
104.51433	0.9
105.01992	0.8
106.02829	9.8
106.52987	2.6
107.03108	1.0
109.02841	3.5
110.01244	2.4
110.97567	2.7
111.04404	0.7
111.97843	1.2
112.99109	36.8
113.00788	1.2
113.99448	3.2
115.02402	11.0
115.03345	6.0
115.53508	1.2
116.98594	9.9
117.01833	0.7
117.04015	0.9
118.02834	1.5
118.53015	1.2
119.01893	79.2
119.51939	0.8
120.01984	3.0
124.02708	0.9
125.03591	1.0
125.53760	0.9
126.04304	0.8
126.05506	0.9
127.00666	3.2
127.02394	0.9
127.03983	5.0
127.04742	0.8
127.53464	0.9
128.02319	1.5
128.04231	1.8
128.52409	1.1
128.98590	3.6
129.03955	2.3
131.00143	59.5
131.01691	8.1
132.00459	5.7
133.01707	1.0
133.03430	25.7
133.53525	1.5
134.99619	4.2
135.05109	1.5
137.02931	15.4
139.53516	1.2
140.02264	2.9
140.04089	1.8
140.52400	2.3
140.54190	0.8
142.03477	1.7
142.96500	0.9
143.00169	1.6
143.01854	9.8
144.99792	2.4
145.01669	6.0
145.03430	2.8
145.04906	1.9
145.53297	0.9
146.02161	1.6
146.52353	1.0
146.99593	4.7
147.01318	1.5
147.03128	1.4
147.04977	5.7
148.03812	1.5
149.01193	36.0
149.02895	5.3
149.53015	1.0
150.01529	3.0
151.04579	3.6
154.01804	1.4
154.03842	1.3
154.53976	1.2
155.02859	1.8
155.52980	2.4
156.03600	1.0
157.03520	1.6
158.99617	3.6
160.54071	1.1
160.97552	1.8
161.01306	2.4
161.02921	42.0
162.03082	1.5
162.53813	1.8
163.02730	3.6
163.04561	1.7
164.03209	0.8
165.00677	1.5
167.02225	3.8
168.99773	5.2
169.02992	1.6
169.04367	18.7
169.54527	19.4
170.04628	4.3
170.06496	0.7
171.00055	1.1
171.01331	5.4
171.04103	2.8
171.54254	4.2
173.01248	2.4
173.02936	7.6
174.03159	1.1
174.99153	1.4
175.00871	1.9
175.02742	6.1
176.03154	1.5
177.00688	3.0
177.02155	0.8
177.04115	1.0
178.02637	1.4
178.04898	84.6
178.55064	100.0
179.02382	1.5
179.05157	19.4
179.55069	2.3
180.04587	3.7
184.04575	2.1
185.02991	1.6
185.55977	0.7
187.00838	16.8
187.55640	1.1
188.97070	1.8
189.00693	2.5
189.02379	11.6
189.55684	5.1
190.05865	7.6
190.55933	2.3
191.02242	1.5
191.03925	11.8
191.54001	3.2
192.04132	1.0
193.00136	3.1
193.02037	0.9
193.03780	15.6
194.04138	3.1
196.99280	3.1
197.03035	0.9
198.04509	1.9
198.54803	2.5
198.56557	1.1
199.00893	5.8
199.04680	1.0
200.54591	1.4
201.00687	1.4
201.02348	1.8
203.03967	0.9
204.53008	0.7
205.00200	1.6
205.01941	6.8
205.03659	1.5
206.98082	1.5
207.01688	2.1
207.03474	2.8
207.05211	2.5
207.06911	1.6
207.55470	4.8
207.56921	4.2
208.05408	0.9
211.04865	12.6
212.05241	2.1
213.02518	1.0
215.00323	19.9
217.01912	15.7
219.01665	3.5
219.03526	5.5
227.04785	0.9
227.55069	2.5
228.55780	1.6
229.01900	4.2
229.05722	1.2
231.03569	1.5
233.01443	2.2
235.02898	1.1
235.04832	1.2
237.02797	4.4
242.05389	2.6
242.55621	9.5
243.05708	2.5
243.56369	4.3
247.00708	1.3
247.02980	17.1
250.57211	2.7
251.07272	1.0
257.01376	1.1
257.05078	0.8
259.03186	0.9
261.02866	3.6
265.04050	4.4
272.56653	10.4
273.06680	3.2
273.56766	0.8
275.06183	1.1
277.04199	0.9
279.57425	2.3
281.05203	1.1
288.60132	4.7
289.03879	2.5
289.07684	2.2
290.02469	0.9
290.11877	0.8
295.06851	2.2
307.04868	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	289.0702
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03934	1.3
54.44303	1.1
55.01855	1.4
55.05510	6.9
57.07069	2.1
63.36558	1.0
65.03904	2.0
67.01846	2.3
67.05484	8.1
68.99768	3.4
69.03415	3.7
69.07046	10.5
70.25574	4.0
70.25987	2.5
71.04972	4.0
79.05478	10.3
81.07040	23.0
81.62160	1.3
83.04945	1.3
83.08604	3.5
85.02903	1.7
89.03893	4.7
91.05456	4.9
93.03378	1.5
93.07024	22.5
95.04955	4.4
95.08600	19.5
97.02888	1.5
97.10155	1.6
103.05444	1.3
105.07014	11.9
107.04942	3.4
107.08580	24.7
109.06483	1.4
109.10152	13.7
111.00799	3.4
111.04425	7.2
115.05412	1.4
117.03362	8.8
117.06969	1.1
119.08556	9.9
119.74679	1.2
119.99937	1.1
121.10117	14.7
123.04388	12.1
123.11694	8.6
125.09634	1.2
127.03891	1.8
127.11113	1.3
131.08591	3.2
133.10114	9.3
135.04390	32.3
135.11673	10.1
137.09621	1.8
137.13226	2.9
139.03860	7.1
141.07013	1.2
143.08557	2.0
145.02835	14.5
145.10118	4.1
147.11690	9.0
149.02261	1.3
149.13242	20.3
151.03871	5.4
153.01802	100.0
155.08427	1.4
157.10066	1.6
159.04459	1.4
159.11676	5.0
161.05992	1.7
161.13242	5.0
163.03882	65.7
163.14824	3.5
171.02861	3.4
173.13205	3.3
175.14877	2.7
179.03336	6.5
183.11742	2.9
187.03912	3.5
187.14807	2.0
189.16292	1.9
201.16330	1.3
203.17932	4.4
215.18057	2.3
225.05663	1.2
229.12204	2.4
231.06496	2.5
247.06023	1.7
259.06085	2.9
271.05975	3.2
271.24057	5.5
289.07037	75.6
289.18225	1.6
289.21667	4.6
289.25250	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	Okanin
Peak:m/z	Relative Intensity
50.20825	0.6
51.02375	0.6
53.03933	1.4
55.01852	1.3
63.66511	0.5
65.03928	4.7
65.19961	0.6
66.17384	0.5
67.05480	2.4
68.99772	2.9
69.77877	3.9
77.03905	0.8
79.05476	1.3
80.86214	0.5
81.03403	1.0
83.01344	0.8
89.03899	4.8
91.05470	1.0
93.03387	3.6
95.04946	4.4
95.87640	0.6
101.57052	0.5
103.05451	2.2
105.03378	2.4
105.04473	0.5
107.04932	3.2
111.00796	1.0
111.04424	13.4
111.20844	0.5
115.05477	0.7
117.03368	3.9
119.04848	0.9
121.02871	1.3
123.04411	100.0
124.04751	1.4
127.03891	8.6
129.07014	0.7
131.04915	3.7
135.04398	56.4
137.02309	1.9
139.03880	33.8
140.04323	0.7
141.06940	1.1
145.02803	3.4
145.06464	0.7
149.02319	6.3
149.05965	1.2
150.03040	1.1
151.03888	14.2
153.01805	1.2
157.06473	1.3
159.04378	2.9
163.03877	25.5
169.06490	1.2
171.04356	0.6
173.05922	1.0
177.05429	1.4
179.03384	1.3
185.06010	1.6
187.03867	3.0
197.05980	2.5
201.05507	1.0
203.06885	0.9
205.04987	3.4
213.05411	2.6
215.07051	1.5
225.05388	1.3
231.06514	6.2
241.04910	1.5
243.06500	3.3
245.04437	4.1
253.05040	1.0
259.05960	9.1
261.07550	4.3
271.05975	3.5
289.07025	10.8
289.11746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	Isookanin
Peak:m/z	Relative Intensity
55.01855	1.4
55.96686	0.6
59.37166	0.7
65.03930	7.4
67.05479	1.7
68.99776	2.8
69.71678	3.0
69.72106	1.7
69.95491	0.7
79.05454	1.4
86.08382	0.6
88.07629	0.7
89.03886	3.3
93.03388	7.6
95.04964	3.8
103.05448	1.0
107.04935	5.5
109.02868	1.2
111.00776	1.2
111.04420	25.7
117.03343	3.5
121.02855	3.2
123.04405	54.8
125.11064	0.7
127.03899	18.2
129.07001	1.2
130.12242	0.9
131.04903	4.3
135.04391	100.0
137.02313	3.7
137.03252	0.7
139.03873	44.1
149.02316	15.1
149.05939	1.4
150.03035	1.6
151.03867	21.7
155.17307	0.7
157.06464	1.3
159.04414	1.5
161.05919	0.9
163.03882	17.2
168.09465	0.8
169.06459	1.4
173.05980	1.8
177.05516	1.7
179.03323	2.1
185.05943	2.6
187.03899	1.3
197.05966	3.1
201.05469	1.9
203.07071	1.0
205.04884	1.4
205.39256	0.6
211.11020	0.7
213.05450	4.4
215.07027	1.8
217.04933	1.0
225.05478	1.5
229.04924	1.4
231.06461	11.7
241.04984	3.7
243.06487	2.9
245.04543	1.2
247.06013	0.9
253.05040	0.9
259.05975	15.5
261.07471	8.6
271.05997	7.1
289.07031	9.5
289.11795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.63211	1.2
65.03931	5.3
67.05486	2.2
68.99783	8.0
69.03427	1.7
70.81174	4.8
70.81557	1.6
79.05466	1.6
79.88784	1.3
81.03410	1.7
84.04505	1.6
89.03883	2.4
91.05475	6.2
93.03381	4.3
95.04964	5.9
105.03354	2.2
107.04936	41.3
109.02937	1.8
111.00762	2.2
111.04420	17.9
117.03357	5.5
119.04917	3.2
121.02853	11.7
123.04414	100.0
127.03905	6.6
129.06976	1.8
130.00558	1.4
131.04927	3.6
135.04398	54.1
137.02342	1.8
139.03879	33.4
139.04956	1.8
141.06996	6.9
145.02818	5.7
145.06535	2.3
147.04399	3.1
147.08011	1.9
149.02321	76.8
150.02902	1.4
151.03879	13.9
153.01808	42.1
153.07004	2.2
159.04350	3.6
163.03877	27.9
163.05153	2.4
167.03384	4.3
169.06473	9.8
171.02933	2.4
173.06032	1.7
179.03450	1.6
183.11488	1.6
185.05923	3.5
187.03842	4.0
187.07568	2.0
195.02916	1.9
197.06015	11.3
205.04907	3.8
213.05368	3.5
215.07001	69.0
216.07272	1.6
225.05537	3.0
225.13997	2.0
229.12163	1.9
231.06531	7.3
241.04935	2.2
243.06506	87.9
244.06915	1.9
245.04375	3.4
259.06030	9.5
261.07666	3.3
271.05981	30.6
289.07034	16.7
289.11871	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.07
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.00291	1.1
65.03926	6.5
66.79057	0.9
67.05482	1.7
68.99773	2.6
71.21051	1.8
81.03435	0.9
89.03898	4.0
89.04372	0.9
92.18339	0.8
93.03387	5.3
95.03854	0.8
95.04964	3.1
107.04954	4.2
109.75260	0.8
111.00813	2.3
111.04427	19.3
111.20343	1.0
117.03370	2.4
118.20950	0.7
121.02844	3.7
123.04410	44.9
127.03887	10.0
128.96617	0.9
131.04907	2.8
135.04391	77.1
137.02280	2.4
139.03874	100.0
141.06973	1.0
145.02853	1.2
149.02321	10.6
149.05969	1.3
151.03882	18.5
157.06526	1.0
159.04350	2.5
163.03867	14.3
169.06468	1.0
173.05986	1.9
175.07620	0.9
177.05429	1.5
179.03337	2.0
185.06012	1.9
187.03845	1.0
197.05981	2.8
201.05334	1.4
205.04922	3.4
213.05415	3.0
215.07091	1.0
225.05385	1.5
229.05061	1.4
231.06528	7.5
241.04990	2.5
243.06491	1.2
245.04449	2.3
253.04984	1.0
259.06015	11.1
261.07684	5.0
271.05850	4.9
289.06985	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	289.1065
Annotation	Asperflavin
Peak:m/z	Relative Intensity
51.70668	0.7
55.05486	2.1
57.03409	1.6
57.11005	0.7
67.05476	2.6
69.07041	1.8
79.05454	1.6
81.07037	5.8
84.04475	2.4
85.02879	1.2
91.05444	2.7
93.03365	0.8
93.07021	4.4
95.04926	1.0
95.08584	5.3
97.37753	0.7
105.07005	3.2
107.04879	0.7
107.08575	4.4
109.10114	3.0
110.03561	0.7
111.04408	1.7
115.05411	0.7
119.08550	2.5
121.06457	1.0
121.10098	3.2
123.04393	3.0
123.11668	2.5
126.05508	0.8
127.03899	1.3
128.06244	1.1
129.06950	1.5
131.08546	2.5
133.10085	2.1
135.04385	6.6
135.07951	1.1
135.11649	1.6
139.03868	2.4
140.06120	1.3
141.06938	1.4
143.08589	1.2
145.06439	1.6
145.10114	2.4
147.11694	2.2
149.02365	0.8
149.13225	2.1
151.03821	2.2
151.11183	0.9
152.06175	2.5
153.06949	4.8
155.08467	1.6
157.10106	1.6
159.08087	1.2
159.11699	2.7
160.08734	0.9
161.13222	1.1
163.14757	0.9
165.06985	2.5
168.05656	14.2
169.06395	2.0
172.08749	1.2
173.13246	1.5
175.07452	1.0
177.12692	0.8
181.06454	2.8
182.07278	4.7
183.08034	20.8
183.11615	2.2
185.05916	6.6
185.09587	1.5
186.06676	1.2
189.16405	0.9
193.06468	1.3
195.07915	1.2
196.05179	11.9
197.05948	8.2
198.06715	1.1
199.07420	1.8
200.08292	2.7
201.09235	1.0
201.16417	0.9
208.05130	0.9
210.06750	6.3
211.07504	55.6
212.08252	12.5
213.05441	9.0
213.08922	1.5
215.10658	2.0
215.17967	0.9
224.04666	3.6
225.05492	1.5
225.09067	8.1
227.06996	1.3
227.10582	1.0
228.07774	12.7
229.08479	1.1
229.12199	1.7
238.06154	0.9
239.06987	66.4
240.07722	9.3
241.04915	2.1
241.08490	1.2
243.10141	32.0
244.10445	1.2
253.08496	1.6
254.09212	1.4
256.07245	17.9
257.07892	0.8
259.05930	1.3
271.09607	100.0
271.24243	3.0
272.09924	2.7
289.06335	1.3
289.11005	0.7
289.14343	0.9
289.17990	1.0
289.21890	1.6
289.25198	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1428
Annotation	3-O-Methylgigantol
Peak:m/z	Relative Intensity
50.18384	0.3
53.03936	0.5
55.01843	0.3
55.05499	0.3
57.07050	0.4
65.03918	1.4
66.55114	0.3
67.05511	0.4
71.41216	0.6
79.05478	7.5
81.07030	1.1
88.07639	0.5
91.05466	17.8
93.07030	0.6
93.28510	0.3
94.04177	2.0
95.04954	3.6
103.05447	5.8
105.07010	16.3
106.07346	0.5
106.08627	0.3
107.04926	1.2
107.08591	0.5
109.06464	0.9
111.04433	1.5
119.04920	9.3
119.08531	0.5
120.05712	2.8
121.06479	1.0
122.03620	7.9
123.04408	2.6
123.08043	0.9
127.03898	0.5
129.07010	0.4
131.08531	0.9
133.06483	1.0
135.04393	4.8
135.08012	6.3
135.08929	0.6
136.05188	2.0
137.05949	100.0
138.05357	0.5
138.06335	2.5
139.03902	1.7
141.06935	0.5
142.07822	0.3
143.08566	0.6
145.10106	0.4
149.02318	0.5
149.05977	0.6
150.06734	5.2
151.04129	0.6
151.07513	35.1
152.07945	1.2
153.07132	0.5
153.09082	6.8
155.08531	0.4
157.10127	0.8
159.07971	0.4
163.03831	0.5
165.09087	53.7
166.09422	1.5
168.09346	0.7
169.06456	0.4
183.11644	1.5
187.07487	0.4
211.11136	0.5
215.10542	0.6
225.09030	0.6
229.08470	0.9
229.12166	1.6
231.06564	0.5
257.07828	0.4
257.11618	0.4
259.06036	0.5
261.07480	0.4
289.14285	31.1
289.29224	2.7
290.14590	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.143
Annotation	3-O-Methylgigantol
Peak:m/z	Relative Intensity
53.03922	1.3
55.01853	0.4
55.05499	1.3
57.03443	0.5
65.03919	2.1
67.05479	1.7
68.99766	0.6
69.07053	1.2
70.18801	1.2
70.19222	1.3
71.72485	0.4
77.77398	0.4
79.05480	8.5
81.03424	0.6
81.07045	4.1
84.04502	2.5
89.63975	0.5
91.05466	18.2
93.03329	0.6
93.07026	2.8
94.04173	2.3
95.04954	4.3
95.08582	2.7
103.03893	0.5
103.05453	5.6
104.52691	0.4
105.07018	18.3
107.04951	3.0
107.08552	3.0
109.06496	1.4
109.10130	1.5
111.04408	4.6
113.79856	0.5
117.03354	0.7
117.07024	0.9
119.04926	9.9
119.08557	2.0
120.05706	2.6
121.02859	0.7
121.06465	2.0
121.10120	1.5
122.03629	7.7
122.07329	0.5
123.04418	8.9
123.08035	0.5
127.03869	0.6
128.06187	0.6
129.06989	0.8
131.04878	0.6
131.08513	1.5
133.06502	1.4
133.10117	0.9
135.04395	15.9
135.08023	6.4
135.11652	0.7
136.05113	1.8
137.05954	100.0
138.06328	1.8
139.03871	5.7
139.07520	0.6
141.07001	0.9
143.08546	0.8
145.10088	1.3
147.07977	0.7
147.11737	0.7
149.02325	1.9
149.13226	1.3
150.06735	4.9
151.03944	2.9
151.07518	38.1
152.07945	0.9
153.07013	0.6
153.09090	6.3
155.08548	0.9
157.10075	1.0
159.04358	0.6
159.08035	0.9
159.11678	0.9
161.13161	1.1
163.03844	1.8
164.00581	0.5
165.09093	57.2
166.09430	1.8
168.05693	0.5
168.09309	1.6
169.10005	0.5
183.11636	3.3
201.12723	1.2
211.07494	1.3
211.11287	0.6
212.08073	0.5
213.05455	0.7
215.10580	0.5
225.09137	0.9
228.07703	0.5
229.12207	1.6
231.06468	1.5
233.22394	0.5
239.06924	1.7
241.04865	0.6
243.10283	0.5
256.07263	0.9
257.11969	0.5
259.05920	2.2
261.07697	0.9
271.06140	0.9
271.09610	2.3
271.17120	0.6
286.67746	0.5
289.07007	1.5
289.14328	33.7
289.21393	1.3
289.25113	1.6
290.14706	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01843	0.9
55.05503	3.7
57.07062	1.6
59.04985	0.6
65.03922	2.5
67.01850	0.5
67.05498	5.4
67.34480	0.5
68.99771	0.8
69.03405	0.6
69.07047	4.6
69.96929	2.5
69.97353	0.9
71.04970	1.6
77.03905	0.8
79.05482	6.4
80.04988	0.6
81.05772	0.6
81.07036	12.9
83.04953	0.6
83.08606	0.9
84.04505	2.5
85.02896	0.7
85.06520	0.6
89.03905	0.5
91.05461	7.4
92.06268	0.7
93.03400	1.1
93.07026	10.2
94.06542	1.1
95.04942	2.9
95.08591	8.4
96.08105	1.8
97.06520	0.8
97.10143	0.6
103.05455	1.1
105.07008	5.7
106.06538	1.6
107.04937	2.2
107.08571	10.5
108.02126	0.8
108.08073	1.1
109.02898	0.6
109.06503	2.0
109.10140	5.8
109.91505	0.5
110.06002	0.6
111.04425	4.3
111.08096	0.7
115.05467	1.1
116.04953	1.0
117.05719	1.8
117.06998	0.6
117.21151	0.5
118.06512	5.4
119.07301	0.6
119.08543	5.1
120.08100	10.3
120.08965	0.6
121.06483	0.9
121.10120	8.2
123.04406	6.4
123.08064	0.7
123.11652	3.2
124.07569	11.1
126.05494	0.8
126.09140	1.0
127.03878	0.7
127.11154	1.1
128.06201	0.7
129.07019	1.1
131.04907	0.8
131.08546	1.9
133.10115	3.6
134.05983	4.7
134.73575	0.5
135.04393	15.4
135.06895	0.4
135.08064	1.4
135.11690	3.9
135.54114	0.5
136.07561	5.6
137.02258	1.0
137.05948	34.6
137.09564	0.7
137.13210	0.6
138.05450	2.1
138.06367	0.9
138.09146	0.9
139.03877	5.6
139.11166	0.8
141.05429	1.9
141.07010	0.8
142.07695	0.9
143.08505	1.8
145.10104	2.4
146.05957	4.1
146.06978	0.6
147.06786	2.2
147.07957	0.5
147.11668	3.2
148.07541	9.7
149.02310	2.1
149.13231	5.8
150.09119	0.9
151.03886	32.1
151.04976	2.5
151.07452	0.9
151.11288	0.6
152.07071	1.1
153.12781	0.7
154.07701	0.6
155.08540	1.2
157.10110	1.2
158.09544	0.6
159.04424	0.5
159.08035	0.8
159.11610	2.7
161.09607	0.7
161.13229	1.5
163.03911	1.6
163.11151	0.8
163.14766	1.0
164.07037	100.0
165.07512	2.0
166.08636	3.6
166.14990	0.5
166.51973	0.6
168.09288	1.1
169.10117	0.8
173.13271	1.7
175.14809	1.2
183.11656	2.7
185.05962	0.7
187.14830	1.0
189.16383	0.5
191.55482	0.5
197.09332	0.6
199.11151	0.6
200.10745	0.9
201.12755	0.8
203.17915	1.8
211.07599	0.6
213.05380	0.7
214.11009	1.1
215.06999	0.9
215.15446	1.6
215.17830	0.9
216.10156	2.5
226.12195	0.8
229.12004	0.7
229.13477	0.6
229.15706	0.7
231.06529	1.5
241.04938	0.7
243.14922	5.9
245.16515	2.5
253.13354	1.1
254.11655	0.9
259.06000	2.4
261.07657	1.4
271.09854	1.1
271.14362	23.1
271.24207	2.2
289.06818	1.9
289.10565	3.2
289.15408	69.0
289.25034	6.6
290.15848	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	289.1541
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.74136	0.4
53.03944	0.7
55.01849	0.5
55.05487	1.3
56.96553	0.5
57.07054	1.0
61.63907	0.4
65.03918	1.8
67.05492	2.8
68.99766	0.4
69.03421	0.9
69.07050	2.9
71.04984	0.9
71.69180	0.9
74.23934	0.4
75.00847	0.5
79.05485	3.7
80.04989	0.7
81.05750	0.6
81.07040	6.2
83.08601	0.7
84.04490	3.2
84.31531	0.4
85.02879	0.6
89.03864	0.8
91.05453	6.8
92.06242	0.5
93.03383	0.9
93.07031	4.0
94.06545	0.8
95.04951	1.5
95.08601	4.4
96.08090	2.1
103.03933	0.5
103.05428	1.2
104.04955	0.6
105.05780	0.5
105.07010	4.4
106.06510	1.9
107.04924	1.8
107.08588	4.4
108.08093	1.6
109.02832	0.5
109.06499	1.1
109.10117	2.0
111.04443	4.8
115.05450	0.6
116.04963	0.7
117.03393	0.5
117.05752	1.3
117.06980	1.0
118.06522	6.1
119.07339	0.6
119.08554	2.9
120.08089	13.0
121.02841	0.6
121.06454	1.2
121.10094	2.9
122.05975	0.5
122.09626	0.8
122.13530	0.4
123.04408	7.7
123.08082	1.2
123.11678	0.8
124.07568	10.7
126.05492	0.8
126.09113	1.2
127.03874	1.1
128.06119	0.4
129.06978	0.7
131.04799	0.5
131.08571	2.1
131.63313	0.4
133.05267	0.6
133.06416	0.9
133.10101	1.5
134.05997	5.0
135.04390	15.1
135.08012	0.6
135.11670	1.3
136.04713	0.5
136.07561	7.3
137.05998	0.7
137.09604	0.7
138.05479	2.5
138.09145	0.7
139.03867	6.2
141.06937	0.6
142.07716	0.5
143.08562	1.2
145.10091	1.9
146.05971	4.4
146.26134	0.4
147.06783	1.7
147.08040	0.5
147.11662	1.5
148.07550	10.9
149.02318	2.2
149.07916	0.5
149.09633	0.5
149.13232	1.4
150.09119	1.1
151.03889	3.1
151.07518	0.8
152.07037	1.5
153.06961	0.6
155.08524	1.1
155.60950	0.5
157.10101	1.3
159.08061	0.5
159.11688	1.8
161.13202	0.9
163.03880	1.4
163.11133	0.9
164.07040	100.0
165.07463	1.7
166.08598	3.4
168.09291	0.8
169.10132	0.5
171.11597	0.6
173.05952	0.8
173.09547	0.6
173.13211	1.4
175.11227	0.6
175.14786	0.6
183.08061	0.5
183.11678	2.6
186.02205	0.6
187.07445	0.6
187.11108	0.5
195.73657	0.5
197.05995	0.5
200.10686	1.0
200.14368	0.5
201.12767	0.7
211.11211	0.5
211.14838	0.5
213.05446	0.9
214.11047	0.6
215.15369	1.6
215.17813	0.5
216.10149	2.5
219.16844	0.4
228.10202	0.5
229.12305	1.9
231.06583	1.4
243.04361	0.5
243.14894	5.8
245.16489	1.8
253.13295	1.5
254.11859	0.9
259.06003	3.0
261.07635	0.5
271.06046	0.9
271.14380	20.8
271.16742	0.9
271.24249	0.7
272.14920	0.5
289.06879	1.2
289.15417	65.5
289.21909	1.8
289.25253	1.7
290.15637	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.252
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03947	1.8
55.05271	1.7
55.05500	22.0
55.15121	1.4
57.07074	7.7
60.73190	1.3
67.05489	30.1
69.03413	9.1
69.06694	1.8
69.07055	35.5
70.12302	7.4
71.04970	7.4
71.08615	2.4
79.05469	18.7
81.07040	100.0
82.07371	1.6
83.04954	1.9
83.08606	14.9
83.09086	2.3
84.04467	3.3
85.06525	3.0
85.79319	1.4
91.05470	12.9
93.07031	47.0
95.04929	5.3
95.08587	80.7
97.06499	10.3
97.10136	6.1
99.08039	3.7
105.07008	28.4
107.08575	61.3
109.06493	5.8
109.10134	58.2
111.04391	1.3
111.08048	5.8
111.11681	4.4
117.05435	1.5
117.06985	2.3
119.08561	22.1
121.06464	1.5
121.10129	31.7
122.10480	1.6
123.04388	1.6
123.08000	4.5
123.11678	30.6
125.09578	5.3
125.82924	1.6
127.11175	6.5
129.07004	1.8
131.08530	8.9
133.10109	17.3
135.04355	4.5
135.08009	2.6
135.11681	24.8
137.09555	3.6
137.13226	10.2
139.11137	5.3
143.08549	1.5
145.10054	9.0
147.11664	19.0
149.09567	2.9
149.13231	44.5
151.11172	10.2
151.14798	8.0
153.01787	2.6
153.12727	3.3
157.10100	1.6
159.11682	11.4
161.13206	14.9
163.03847	2.5
163.11157	2.4
163.14810	12.9
165.12755	12.9
165.16365	1.7
169.01271	2.2
173.05960	1.5
173.13278	7.6
175.14786	9.6
177.12637	1.8
177.16309	6.7
179.14270	3.4
183.11693	2.3
187.14748	5.4
189.16315	8.1
191.18013	2.8
193.15921	2.7
201.16364	6.4
203.17953	12.3
205.15927	2.4
205.19618	2.3
215.17999	7.5
217.19392	2.1
229.12149	2.1
229.19389	2.2
233.18889	2.9
245.22566	3.1
259.05820	2.1
271.24191	22.5
289.06668	1.7
289.18137	2.9
289.25201	97.2
290.25281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.4
56.96556	100.0
57.59554	2.5
60.95823	3.8
65.03919	3.5
69.03422	6.2
69.77489	12.1
69.77916	8.7
70.06569	8.8
70.98109	3.4
72.08134	9.5
73.02885	2.8
74.93108	2.5
74.97586	8.4
79.05457	3.8
81.03403	3.7
84.08118	7.0
84.96020	8.7
85.02887	7.0
86.09679	8.7
88.99127	2.6
89.03858	3.3
90.68493	3.0
92.39563	2.9
94.21106	2.5
96.92780	2.5
97.02863	5.3
98.21391	5.4
98.97563	41.8
107.04947	2.9
110.97583	4.2
111.04432	4.3
112.99113	4.5
116.00208	5.5
116.98599	35.4
117.03356	3.6
119.01891	6.7
119.04895	4.0
120.01994	6.5
121.01633	3.3
123.04421	30.8
124.04698	4.5
124.99116	12.0
127.00636	3.2
127.03894	4.3
128.04300	4.5
129.10246	3.0
131.00127	7.2
134.01236	9.0
134.03546	3.9
134.99643	25.3
135.04381	12.2
136.04735	9.3
139.03885	45.4
140.04213	5.2
143.00148	44.1
145.01701	3.2
146.99619	9.9
147.03285	6.3
147.04303	6.3
149.01190	7.4
150.00676	3.9
150.99129	15.7
152.98586	4.0
153.00670	3.4
157.13356	3.1
158.99571	5.8
161.01204	62.0
161.05881	5.4
162.03073	3.5
163.03853	23.4
165.00681	8.6
169.00131	7.4
170.99632	9.4
172.94328	5.0
174.99095	6.6
177.00726	8.4
179.02289	10.0
184.02684	6.1
185.01190	9.8
187.02698	4.4
188.01076	3.5
189.00684	22.6
190.95337	12.3
190.98639	5.7
193.00160	8.3
201.00616	4.4
203.02225	10.2
205.00111	4.3
206.98155	3.7
207.01768	4.8
207.06427	5.0
208.37836	2.6
208.96396	6.0
211.01152	3.4
213.00677	4.2
218.02106	4.3
219.01709	4.1
223.01164	7.5
231.01772	8.0
232.96445	8.5
237.02773	7.2
248.99135	7.3
249.02763	47.3
250.97574	5.3
267.00208	8.6
267.03787	65.8
272.04282	12.0
285.01874	4.2
285.04953	31.5
290.05347	16.8
290.97101	4.4
291.03992	4.8
307.96085	3.9
308.06265	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	290.175
Annotation	Mesembrine
Peak:m/z	Relative Intensity
50.85386	0.4
55.05508	1.1
56.05022	1.8
57.03427	0.5
57.07061	1.6
58.06592	1.0
63.04715	0.5
65.03926	2.0
67.05496	8.2
69.07059	4.9
70.06561	0.4
71.08601	0.6
74.06069	0.8
79.05471	1.5
81.07047	1.8
82.06585	2.9
83.04964	0.5
88.07616	6.9
91.05468	0.7
93.03403	1.5
93.07024	3.0
95.04974	0.7
95.08598	1.9
97.06508	1.9
98.20672	1.3
105.07016	0.7
107.08564	2.8
109.10152	0.7
110.06026	25.3
111.04428	12.9
111.08070	0.6
112.04722	0.4
117.06982	0.5
118.08636	0.9
119.04915	0.5
122.08111	1.2
123.04409	8.3
129.07004	0.4
131.08530	0.5
133.10100	0.8
135.04398	0.9
135.11690	3.1
136.04720	0.7
137.05910	0.6
138.05481	100.0
139.03879	8.2
139.05772	1.2
143.05096	0.4
145.06412	0.9
147.04401	1.7
153.12735	0.8
161.05928	1.1
162.11348	0.4
163.07515	2.2
165.05487	0.9
168.13837	0.6
171.08040	0.4
178.09422	0.6
184.12013	1.0
192.01302	0.5
207.06529	0.6
226.11150	1.2
230.12454	1.0
230.70412	0.5
242.24751	5.6
244.12164	1.2
273.14777	0.8
277.85284	0.5
290.17532	4.8
290.26846	15.8
290.29562	0.7
291.08661	0.7
291.19434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.211
Annotation	Dyclonine
Peak:m/z	Relative Intensity
53.03951	0.4
55.01851	1.2
55.05484	1.3
57.03422	0.4
57.07069	1.8
67.05473	1.3
68.99751	0.5
69.03408	0.5
69.07056	3.5
69.57775	0.6
69.58101	3.4
70.06580	3.8
73.02907	3.5
73.06538	1.2
79.05450	0.8
81.07047	2.3
84.04001	0.6
84.04491	10.5
85.02879	1.5
85.10169	0.4
87.00800	0.5
88.07613	3.7
91.05452	1.4
92.40725	0.4
93.07019	1.0
94.06534	0.4
95.04936	1.0
95.08590	2.1
97.02872	0.4
98.05967	0.4
98.98439	0.4
102.09153	0.4
103.03904	1.8
105.06998	1.1
106.08629	0.5
107.08578	1.2
108.04461	0.4
109.06535	0.8
109.10115	1.0
111.04385	0.6
114.09158	1.1
118.06520	12.5
119.04938	0.9
119.08569	0.7
121.10118	0.8
123.04420	7.0
123.11707	0.7
124.12070	0.4
126.05476	2.1
127.03899	0.5
132.08067	4.5
132.09023	0.5
132.09204	0.6
132.10173	5.2
133.08844	2.1
133.09987	0.6
134.09605	1.3
135.04384	0.8
135.08025	0.9
136.04730	0.6
139.03877	10.8
140.04218	0.6
146.09610	3.9
147.04362	2.1
147.11545	0.5
150.11214	4.5
159.11668	0.5
160.11194	0.6
161.05911	1.1
165.05472	1.5
171.11812	0.5
176.14317	46.7
177.14679	1.0
192.17500	0.4
202.15878	0.5
207.06540	0.7
214.21777	0.4
232.13339	1.1
246.14783	1.3
246.24303	1.1
255.83286	0.4
260.16348	0.6
290.08719	1.0
290.21112	100.0
290.26639	20.0
291.21417	4.2
291.26682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	49.4
57.03427	3.2
61.02893	7.3
65.20354	2.3
67.05502	2.5
68.99783	3.6
74.97562	3.0
77.55264	2.6
77.80482	3.0
79.77268	2.4
81.03400	2.5
84.08109	2.8
84.96005	7.4
85.02871	6.7
87.90190	2.4
95.04898	3.8
97.02863	5.4
98.01232	2.6
98.97556	39.4
100.99129	2.9
101.00851	6.3
102.61224	3.1
103.00597	6.4
103.02410	2.6
104.01227	2.8
104.62897	3.3
106.87003	2.7
110.97539	7.6
111.04432	3.9
112.99084	25.5
115.02440	5.9
115.03310	6.1
116.98607	24.0
117.02140	5.7
119.01891	19.7
119.04918	5.3
120.01941	2.8
121.01630	26.5
123.04399	60.8
124.99085	4.8
128.98524	13.8
129.03876	3.0
131.00128	42.7
131.01826	4.2
133.03427	34.1
134.99605	9.4
135.03178	11.7
137.02896	5.4
139.02727	8.3
139.03854	100.0
143.00142	19.1
143.01888	3.5
145.01657	4.4
145.03384	3.5
146.99609	12.5
147.01318	3.7
147.04233	21.9
149.01205	34.0
151.04459	8.7
153.05406	3.4
157.03413	9.4
158.99619	10.2
159.03076	4.2
159.05009	12.8
160.01254	3.1
160.02609	3.2
161.01198	25.2
161.02954	8.9
161.05928	5.6
163.02631	16.6
163.03902	13.9
165.00690	3.9
165.05493	8.8
166.01457	3.2
167.02170	5.8
170.01166	2.8
170.99597	9.7
171.05003	5.4
173.01173	5.7
173.02814	3.0
175.02937	3.6
175.04506	7.9
177.00662	12.0
177.05916	5.0
179.02229	4.1
185.01193	6.1
185.06598	4.8
189.00635	20.0
189.02351	5.2
189.05907	3.6
191.02234	9.7
191.03891	5.2
191.54022	5.5
193.00217	4.6
193.03893	14.4
200.54514	6.0
201.00610	7.6
201.06088	4.6
203.02240	4.1
203.03954	4.8
205.00143	4.8
207.01721	7.8
207.06577	4.1
211.04849	9.1
214.03348	3.1
217.00029	6.1
219.01614	13.5
219.07158	8.0
221.03175	3.4
231.01643	7.7
233.08669	26.7
237.02637	6.8
247.06677	14.5
248.99063	3.3
249.02678	17.5
267.03781	6.6
291.03702	7.2
291.08807	34.6
309.04877	5.5
309.08243	3.8
311.09875	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	291.0858
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02345	0.4
53.28228	0.4
55.01877	1.2
55.60500	0.5
61.66029	0.4
65.03928	1.7
66.62563	0.5
67.05496	1.2
68.99766	2.2
71.63885	0.7
71.64197	0.6
83.04980	1.5
91.05465	2.1
93.03406	0.9
95.04959	2.9
99.04481	0.6
105.03383	1.1
105.14328	0.5
107.04934	0.4
107.61779	0.4
111.04427	4.9
115.05465	1.4
119.04929	6.0
123.04414	66.4
124.04791	1.3
127.03941	1.5
131.04866	0.9
133.06477	1.1
137.02289	0.9
137.05937	1.2
137.77716	0.5
139.03882	100.0
140.04221	1.7
143.04892	2.7
147.04388	21.1
151.03903	2.8
153.05437	0.6
156.90388	0.4
161.05954	7.5
161.07156	0.6
163.03902	1.5
165.05455	12.9
169.04939	1.0
177.05492	0.7
179.07022	2.8
181.04868	1.1
181.94165	0.4
189.05429	1.8
203.06976	0.6
205.08627	0.4
207.06529	7.0
235.14336	0.6
249.07643	0.9
273.07449	1.0
282.47079	0.5
291.08636	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	291.0857
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02392	0.5
53.03942	0.7
55.01859	2.1
65.03927	1.3
67.05489	1.7
68.99783	1.7
69.03419	0.5
69.91733	1.8
71.04907	0.4
77.03922	0.5
78.78221	0.4
81.03396	0.6
83.04967	1.5
85.02893	0.5
91.05465	2.8
93.03404	1.5
95.04957	3.3
97.02921	0.7
105.03370	1.0
105.07019	0.8
109.02879	0.4
111.04425	4.4
114.34063	0.4
115.05438	2.0
119.04918	8.0
123.04409	72.5
124.04758	1.3
127.03918	1.3
131.04904	0.9
133.06464	1.3
135.04416	0.8
137.02293	1.2
137.05962	1.0
139.03877	100.0
140.04207	1.4
143.04892	2.7
144.05286	0.3
147.04384	22.4
148.04750	0.6
151.03883	2.2
151.07513	0.7
153.05406	0.8
159.04364	0.5
161.05954	7.9
163.03908	2.1
165.05452	12.8
169.04924	1.3
177.05453	1.3
179.07022	3.4
181.04892	0.7
189.05437	2.3
205.08557	0.5
207.06487	5.1
249.07480	1.2
273.07437	1.4
291.08527	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	291.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01861	1.7
56.87832	0.5
65.03920	1.1
67.05479	1.8
68.99773	2.4
70.94875	1.6
70.95245	0.6
77.03900	0.6
83.04942	0.6
85.02874	0.6
91.05447	2.2
92.94224	0.5
93.03400	1.5
95.04976	3.5
96.10903	0.5
111.04424	3.6
115.05412	1.6
119.04918	7.4
123.04407	69.0
124.04735	1.1
127.03862	1.2
133.06467	1.1
135.04356	0.5
137.02303	1.3
139.03876	100.0
140.04222	1.6
141.69904	0.7
143.04858	2.9
147.04373	23.0
147.61943	0.6
148.04764	0.7
151.03902	2.6
151.07483	0.8
153.05444	1.3
161.05971	7.9
163.03879	1.8
165.05452	12.6
169.04904	1.6
177.05437	0.9
179.06975	2.8
181.04926	0.6
189.05522	1.5
207.06476	6.3
211.04128	0.5
249.07579	1.1
273.07565	1.1
291.08572	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	291.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.3
53.03938	0.3
55.01853	1.5
56.41809	0.4
61.45674	0.4
65.03938	0.8
67.01850	0.3
67.05494	1.4
68.99775	1.7
69.03425	0.4
69.92930	0.7
69.93342	1.0
77.03942	0.4
83.04977	1.1
91.05456	1.9
93.03376	0.6
95.04958	3.4
97.02895	0.7
105.03386	0.6
105.07015	0.4
107.04937	0.3
111.00780	0.5
111.04430	3.0
115.05436	1.3
119.04924	7.4
123.04411	68.7
124.04788	0.9
127.03887	1.1
133.06468	1.0
135.04427	0.7
137.02332	1.3
137.05919	0.8
139.03877	100.0
140.04234	1.6
143.04898	2.4
147.04384	23.8
148.04749	0.4
151.03842	2.6
151.07553	0.4
153.05409	0.7
159.04451	0.6
161.05943	9.3
163.03896	1.6
165.05461	12.5
166.05760	0.5
169.04933	1.3
177.05478	0.8
179.07027	3.5
181.04939	0.7
189.05479	2.3
203.07028	0.5
205.08698	0.4
207.06503	6.9
231.06464	0.4
235.79935	0.3
249.07516	1.1
273.07523	0.9
277.93481	0.3
278.53397	0.3
291.08548	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.40025	1.8
53.03937	5.3
55.01865	21.5
55.05503	17.8
57.03427	13.5
58.01019	1.9
65.03936	9.3
65.22512	1.7
67.05495	61.4
68.99790	2.4
69.03417	6.4
69.07059	8.9
70.09803	7.1
70.10224	3.1
71.04976	2.4
79.05480	50.5
81.03416	5.3
81.07045	47.4
81.07533	1.9
83.04967	10.0
83.08613	6.8
85.06544	2.8
91.05470	43.2
93.03405	2.1
93.07026	31.0
95.04957	94.7
95.08594	15.5
97.06525	6.2
97.10149	4.6
105.04479	1.8
105.07014	26.2
106.23309	1.9
107.04951	20.2
107.08573	29.5
109.06501	67.7
109.10147	5.7
111.04449	3.3
111.08051	3.0
115.05453	6.2
117.06994	15.1
119.04928	10.8
119.08545	11.4
121.06491	8.0
121.10117	9.7
123.03508	3.7
123.04411	71.8
123.08011	5.0
124.04787	3.3
128.06200	3.3
129.06989	8.2
130.07770	2.5
131.08525	20.5
133.06479	7.3
133.10101	10.1
135.08032	73.7
135.11703	8.4
137.02338	2.6
137.05943	4.8
137.09645	2.3
139.03880	100.0
140.04320	2.4
141.06963	2.4
142.07806	2.2
143.04936	4.0
143.08525	12.9
145.06468	3.1
145.10118	13.6
146.99864	2.0
147.04390	22.0
147.08002	10.1
147.11646	6.8
149.09618	10.0
149.13235	3.7
151.07503	3.6
157.10155	5.8
159.11711	5.8
161.05933	9.3
161.09592	8.4
163.03867	2.2
163.11179	5.4
165.05479	11.5
171.11655	3.5
179.07062	3.9
185.13161	3.0
187.11195	2.7
192.82817	1.8
199.14972	2.5
201.12889	2.1
207.06488	6.2
207.13795	2.3
217.15880	15.6
245.19090	3.9
255.17303	2.0
273.18439	30.2
291.08527	2.7
291.19485	46.8
291.27167	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03923	2.0
55.01865	19.6
55.05501	10.8
56.05016	2.8
57.03429	16.1
57.07067	2.1
59.05001	1.0
60.69088	1.2
65.03918	3.1
67.05138	1.4
67.05492	23.9
69.03408	3.2
69.07050	4.5
70.11647	5.1
71.05008	0.9
74.06065	2.0
78.54395	0.9
79.05483	43.8
81.03402	1.0
81.07039	19.5
83.04953	1.7
83.08569	3.2
85.06542	3.5
88.07619	8.8
89.07961	2.3
91.05466	27.5
93.07027	21.2
94.04181	1.3
95.04952	21.1
95.08588	7.2
97.06519	2.7
97.10144	1.6
105.07011	18.8
107.04948	12.1
107.07834	1.1
107.08572	22.9
109.06500	67.0
109.10133	2.8
111.08080	1.5
115.05430	3.5
116.06234	1.1
117.06993	13.5
118.08624	1.5
119.04933	1.7
119.08549	8.3
121.06476	3.0
121.10117	5.4
122.08086	1.2
123.04380	7.8
123.08044	2.1
128.06194	1.7
129.07001	5.7
131.08540	15.0
133.06462	1.9
133.10103	4.8
135.08026	100.0
135.11659	4.0
139.03864	7.8
143.08488	6.7
145.10049	7.9
147.04402	2.8
147.08037	3.9
147.11668	2.1
149.09592	7.6
149.13220	1.8
157.10095	6.0
158.86058	1.1
159.08067	1.7
159.11665	4.4
161.09593	7.8
163.11148	1.7
165.05490	2.1
169.10162	1.6
171.11636	3.0
173.09605	1.0
173.13208	2.8
175.11192	1.8
180.80852	1.1
181.10039	1.9
183.11674	1.7
199.14824	4.2
201.12737	2.9
212.83548	1.0
217.15869	19.0
219.13797	2.1
227.18077	1.2
237.16266	1.7
243.25021	9.6
245.19157	1.9
255.17303	2.5
273.18442	22.4
291.19528	37.6
291.27151	31.2
292.19928	1.9
313.52234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03930	1.2
55.01859	2.3
55.05497	9.4
57.07053	2.4
59.04973	3.0
67.05498	7.9
69.03402	2.7
69.07056	2.7
71.04961	3.3
72.85486	0.9
79.05467	11.4
81.06650	1.1
81.07044	9.3
83.04951	3.0
83.08604	9.1
85.02869	1.4
85.06506	3.4
91.05463	7.8
93.07024	13.1
95.04950	7.5
95.08589	19.5
97.06509	3.4
105.06999	11.6
107.04936	15.3
107.08569	11.0
109.06482	7.3
109.10129	3.1
111.04398	1.1
111.08057	42.3
113.09621	1.6
117.06956	1.4
119.04919	3.2
119.08551	11.3
121.06458	3.1
121.10120	8.4
122.07234	1.1
123.04416	22.2
123.08049	39.9
123.11689	2.1
125.09595	2.5
129.06940	1.6
131.08539	6.6
133.06461	4.3
133.10106	8.6
135.08044	5.7
135.11678	3.4
137.09595	3.6
139.03879	37.1
140.04279	0.8
143.04794	1.0
143.08528	2.1
145.10074	4.6
147.04402	10.6
147.08005	3.5
147.11655	6.2
149.09608	8.1
149.13234	1.1
151.07513	100.0
152.07851	3.2
154.70551	0.9
155.10626	2.6
157.10094	5.3
159.08017	3.2
159.11682	1.1
161.06020	2.3
161.09543	3.4
161.13257	1.7
163.11165	5.2
165.05455	5.3
167.10664	0.9
169.12135	1.2
171.11661	3.2
173.13231	7.1
174.10425	1.9
175.11142	5.2
177.09125	2.5
179.10643	3.9
181.12187	2.4
187.14807	1.5
187.34622	0.8
189.12723	31.9
189.23250	0.9
190.13226	1.0
191.10591	1.8
191.14267	12.3
192.11374	5.8
197.11687	13.7
197.13266	3.0
205.12270	1.0
207.06508	1.8
207.13774	69.7
208.14139	2.1
211.13272	1.8
213.16353	1.7
215.14285	4.1
217.12218	3.1
218.06764	1.0
229.38361	1.1
231.17381	1.9
233.15326	34.2
234.15544	1.4
235.13162	2.3
249.18564	2.0
255.17348	2.8
273.18396	6.2
287.11719	0.9
291.08926	1.1
291.19501	46.9
292.19888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01857	2.0
55.05507	3.3
56.19081	0.5
57.03414	0.9
57.07072	3.1
59.04996	3.2
65.03918	0.6
67.05497	6.5
68.99749	0.6
69.03422	2.3
69.07030	2.7
69.80152	1.3
69.80554	3.2
71.04980	3.1
79.05476	5.2
81.07045	7.9
83.04967	2.7
83.08604	3.7
85.02898	1.1
85.06544	2.1
91.05465	7.0
93.03381	0.6
93.07030	10.4
95.04968	5.0
95.08595	12.7
97.06510	2.6
105.07011	8.9
107.04948	4.0
107.08572	6.8
108.05740	1.0
109.06503	7.3
109.10141	3.7
111.04404	2.0
111.08064	21.4
113.09618	0.6
115.05391	1.3
116.89449	0.5
117.06983	1.9
119.04946	2.7
119.08563	8.5
121.06483	2.5
121.10110	6.3
122.07291	1.8
123.04419	25.8
123.08051	34.7
123.11662	1.6
124.04729	1.0
124.08389	1.0
125.09613	0.7
128.06151	0.7
129.07005	0.9
130.07771	1.1
131.08553	5.7
133.06456	2.9
133.10124	6.9
135.08054	5.6
135.11681	2.8
136.08864	0.6
137.06006	1.1
137.09598	3.2
137.10516	0.5
139.03880	33.3
140.04227	0.9
141.05428	0.7
142.07773	1.2
143.04912	1.0
143.08540	3.1
144.09294	0.9
145.10104	11.0
146.10759	0.6
147.04375	7.8
147.08032	3.4
147.11667	5.1
149.09601	4.1
149.13188	0.7
151.07520	100.0
152.07852	1.5
153.05522	0.8
153.09053	0.7
155.08542	0.9
155.10620	1.3
156.09344	1.7
157.10121	3.2
159.08063	2.3
159.11697	3.4
161.05981	3.1
161.09598	4.3
161.13219	1.4
163.03790	0.6
163.11189	2.4
165.05479	4.8
165.09166	0.7
169.10106	0.7
171.11674	3.3
172.12413	0.6
173.09628	0.9
173.13203	3.8
174.10370	1.3
175.11099	3.5
177.09087	2.0
177.12677	0.8
178.94844	0.6
179.07042	1.1
179.10672	5.1
182.10960	0.8
185.13165	1.7
187.11156	3.1
187.14861	0.9
189.12718	27.2
190.13004	1.2
191.10648	2.1
191.14320	4.5
192.11461	4.2
197.11693	12.5
197.13283	1.8
203.14322	1.2
207.06468	2.8
207.13780	64.5
208.14122	2.4
211.14828	0.8
213.16269	1.4
215.14224	3.7
217.12201	3.2
221.15414	0.6
229.23552	1.2
231.17436	2.1
233.15338	9.5
235.13330	1.7
249.15094	0.6
249.18437	0.8
255.17372	2.4
273.18460	6.5
291.08630	1.4
291.19501	35.5
291.27084	2.0
292.19858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.58542	0.3
53.03931	1.0
55.01866	2.3
55.05504	8.4
57.03421	0.6
57.07060	0.4
61.50169	0.3
65.03924	0.6
67.05495	4.9
68.11932	0.4
69.03418	0.9
69.07065	4.0
71.04977	0.7
75.69992	0.4
79.05485	8.5
81.03396	0.5
81.07050	6.3
83.04952	1.5
83.08613	3.9
91.05461	7.5
93.07030	6.4
95.04969	3.5
95.08596	2.6
97.06536	0.5
97.10158	3.6
98.20750	1.7
98.21475	1.3
103.05451	0.5
105.03333	0.5
105.06339	0.5
105.07020	6.6
107.04946	3.4
107.08585	3.3
108.05784	0.4
109.06487	1.2
109.10133	1.1
115.05430	0.5
116.06217	0.4
117.06991	2.7
119.04932	2.3
119.08560	6.0
120.05661	0.5
121.06476	1.9
121.10138	1.8
123.04404	5.7
123.08060	1.2
124.04755	0.4
125.09630	1.7
129.06961	1.3
130.07735	0.4
131.08565	3.6
133.06461	4.0
133.10091	1.1
134.07248	1.0
135.08017	1.2
135.11652	0.5
135.81433	0.4
137.09590	0.4
139.03880	7.7
143.08511	1.0
145.10077	2.7
147.04341	2.0
147.08057	4.2
149.09572	1.0
157.10121	1.1
159.11699	0.6
161.05960	0.9
161.09586	1.0
162.10429	1.8
163.05551	0.3
163.11147	1.0
165.05482	0.6
165.09007	0.4
175.11105	1.0
189.12704	0.5
207.06538	0.4
223.13258	1.4
227.17891	0.4
230.04669	0.5
240.89345	0.4
249.14865	1.8
249.18472	0.6
262.15637	0.4
273.18433	2.9
291.19501	100.0
292.19812	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03935	5.7
55.01851	1.7
55.05500	17.6
57.07050	1.9
61.26489	0.9
65.03920	1.2
67.05494	37.4
69.03401	1.1
69.07051	15.6
73.06516	1.5
77.03912	1.5
79.05480	64.7
80.05802	1.1
81.07045	43.1
83.04953	1.6
83.08600	9.2
84.44024	0.9
85.06516	4.1
91.05463	25.8
93.07030	100.0
95.04950	7.9
95.08004	1.8
95.08590	31.4
97.06522	1.9
97.10151	4.9
98.20722	2.2
103.90495	1.0
105.04535	1.8
105.07001	17.3
107.08574	54.0
109.06490	2.2
109.10136	13.7
110.87746	1.0
111.08062	1.6
117.06994	3.7
119.07719	1.5
119.08549	13.8
121.10128	45.5
123.04435	5.0
123.08053	2.2
123.11710	4.7
125.09606	1.3
129.06990	2.1
131.08542	4.8
132.88054	0.9
133.10109	11.5
135.08015	2.1
135.11667	50.9
137.09573	3.0
139.03926	5.9
143.08495	2.0
145.10091	6.0
147.04349	2.1
147.11656	8.3
149.09589	3.3
149.13229	29.4
151.11159	2.0
157.10167	2.2
159.11674	4.1
161.13228	7.3
163.11168	3.3
163.14784	8.9
167.10583	1.2
171.11633	3.8
173.13251	2.5
175.11151	1.9
175.14790	5.4
177.12650	4.4
177.16307	1.5
185.13191	2.8
189.12735	2.5
199.14771	2.2
209.15462	1.4
213.04451	0.9
213.16321	1.9
217.19510	1.9
221.15439	1.7
231.17459	1.4
235.16939	2.5
241.19440	5.6
249.18405	1.9
259.20435	6.8
291.20016	1.9
291.23129	50.7
292.23590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2677
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03936	2.8
55.01860	4.7
55.05503	24.5
57.03426	2.9
57.06828	1.1
57.07069	11.1
59.04983	4.6
59.26152	1.0
65.03925	2.9
67.05497	31.9
68.99755	1.4
69.03415	3.7
69.07057	47.5
70.34602	2.2
70.34998	2.1
71.04977	4.2
71.08604	3.7
75.95425	1.0
79.05482	19.5
81.03436	1.2
81.07044	100.0
82.07384	1.1
83.04968	4.0
83.08607	20.8
85.02894	1.6
85.06506	6.2
91.05478	12.9
93.03430	1.5
93.07030	32.0
95.04971	5.7
95.08592	93.3
96.08916	2.1
97.06503	4.4
97.10153	10.1
99.08074	4.4
105.07016	17.0
105.80749	1.0
107.04938	3.0
107.08580	35.9
108.08862	1.5
109.06527	5.6
109.10140	45.6
111.04432	3.5
111.08073	7.5
111.11707	8.1
115.05397	1.1
117.07001	2.9
119.04971	6.0
119.08570	11.4
120.08173	1.1
121.10128	26.2
123.00992	1.0
123.04411	47.9
123.08061	2.8
123.11683	33.7
124.04743	1.7
124.11994	1.0
125.09605	3.6
125.13251	1.3
127.11174	1.8
131.08534	3.1
133.06448	3.1
133.10144	8.2
135.08054	6.5
135.11674	18.1
137.02286	2.1
137.05959	8.8
137.13232	29.7
138.06369	1.3
139.03883	74.7
139.11174	5.2
140.04144	2.2
141.12665	1.6
143.04895	3.2
143.08505	1.6
145.10127	2.7
147.04398	14.3
147.08022	1.1
147.11703	6.6
148.04755	1.1
149.09604	1.9
149.13234	21.2
151.03931	1.5
151.07520	2.6
151.11191	2.1
151.14783	5.6
153.12718	4.8
157.10170	2.0
159.11694	2.0
161.05960	4.9
161.09590	1.7
161.13220	5.4
163.03929	1.3
163.14832	10.1
165.05469	10.2
165.09059	1.5
165.12697	1.4
165.16331	1.5
167.14282	2.9
171.11606	1.4
175.14810	2.8
177.12823	1.4
177.16388	5.5
179.06964	1.9
181.15982	1.6
189.16315	4.1
190.81287	1.1
191.10767	1.1
191.17957	4.6
191.90099	1.1
203.17970	4.7
205.19553	2.8
207.06528	5.1
213.12646	1.7
217.15898	1.3
217.19467	4.1
235.14931	1.8
243.07750	1.1
273.15521	1.2
273.18549	3.6
273.25653	8.8
291.08966	1.8
291.16153	2.2
291.19653	6.3
291.23462	2.0
291.26746	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	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.71793	1.3
53.03927	1.2
55.01861	3.6
55.05506	21.1
57.07061	9.1
59.04970	4.0
61.50523	1.2
65.03931	2.2
67.05494	35.0
69.03401	4.7
69.06686	2.7
69.07058	53.3
70.24718	5.0
71.04980	5.4
71.08613	4.5
79.05480	18.4
81.03384	1.5
81.07040	94.2
82.07392	1.3
83.04964	3.4
83.08606	22.2
85.02911	1.5
85.06091	1.2
85.06504	7.0
87.84547	1.5
91.05470	11.0
93.07030	36.6
95.04942	5.5
95.08591	100.0
96.08916	1.9
97.06509	5.3
97.10150	12.1
98.20776	1.3
99.08083	4.4
105.07004	14.8
107.04932	1.8
107.08568	33.0
109.06488	4.2
109.10132	45.5
111.04391	1.5
111.08060	10.0
111.11715	6.2
113.09599	1.9
117.07001	2.3
119.04921	4.0
119.08563	13.4
121.10120	28.1
122.68465	1.2
123.04406	28.4
123.08000	1.3
123.11693	34.3
125.09609	3.9
127.11158	2.2
131.08571	1.9
133.10081	6.5
135.08060	3.6
135.11656	17.1
137.05962	3.1
137.13219	28.4
139.03876	49.5
139.11191	3.7
140.04173	1.7
141.86650	1.3
145.10069	1.8
147.04378	8.7
147.11649	8.3
149.09622	1.8
149.13242	23.6
151.07515	1.3
151.14796	3.5
153.12724	4.1
161.05951	3.8
161.09534	1.2
161.13242	6.6
163.14772	12.3
165.05424	5.7
167.14221	2.9
171.11671	1.4
175.14787	3.9
177.16351	8.0
179.07065	2.0
189.16382	3.5
191.17912	4.1
201.12868	1.3
203.17957	4.2
205.19432	3.1
206.41257	1.3
207.06520	2.9
217.19460	4.7
235.16835	1.5
273.25803	10.3
291.19623	4.9
291.26770	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	291.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05510	14.8
57.07069	15.9
67.05491	36.0
69.07067	20.4
70.13040	8.3
70.13447	3.8
71.00282	1.6
71.08614	11.9
71.17859	1.6
79.05479	9.4
81.07040	100.0
83.08606	17.7
85.10147	4.1
89.72240	1.6
91.05472	1.8
93.07030	2.4
93.99121	1.9
95.08589	89.4
97.10150	10.1
98.21394	1.9
109.10147	32.5
111.11708	5.9
121.10074	2.2
123.11685	15.3
135.08011	2.3
137.13213	7.0
138.47289	1.8
139.14841	1.7
151.14792	2.1
165.16414	3.9
172.66820	1.9
180.17409	1.8
291.19534	3.4
291.30438	12.3
300.04410	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	293.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.6
55.05500	2.8
56.04803	1.2
56.05024	15.0
56.96555	100.0
57.03418	6.3
58.06574	1.7
61.02900	4.5
62.02861	1.5
67.05479	5.7
67.55272	1.6
68.05025	2.4
69.03416	6.2
69.07052	2.7
69.66599	10.5
70.06281	1.3
70.06583	14.5
70.98105	11.2
71.95238	3.5
72.08120	4.6
73.02907	1.6
74.97616	3.7
79.05473	4.6
81.03384	2.6
81.07040	12.3
82.06577	1.7
83.04969	4.3
83.08592	1.9
84.04478	5.1
84.08128	13.3
84.96021	8.5
85.02895	9.6
85.07654	33.7
85.61614	1.4
86.06066	1.9
88.99130	6.0
89.03884	9.6
91.05455	5.8
93.03352	1.8
93.07004	4.3
94.06544	2.0
95.04929	4.0
95.08571	3.7
96.08089	2.2
96.22773	1.4
97.02863	4.5
97.06548	2.0
98.97559	43.6
99.04458	1.8
101.07100	3.3
102.97021	2.3
105.06998	3.1
107.00138	2.4
107.04922	2.8
109.02853	3.4
109.06483	5.7
109.10122	2.2
110.07143	5.3
110.97534	8.5
111.00769	2.4
111.04405	3.6
112.03915	1.5
112.07594	3.3
112.11182	2.3
112.99106	24.9
113.02357	2.3
113.07141	1.7
116.07104	2.2
116.98602	52.0
117.03356	4.4
117.07014	2.6
119.01875	2.3
119.04910	2.8
119.08547	3.3
120.08132	3.6
120.15529	1.4
121.06484	1.6
122.09680	1.5
123.04400	5.3
123.08043	2.2
124.04749	2.3
124.99134	2.0
127.03886	3.4
128.07060	2.0
128.98587	21.3
129.06998	1.8
129.10207	2.1
130.93243	2.1
131.00150	63.6
133.01614	2.0
133.03490	3.6
134.99632	39.1
135.04384	9.8
136.07579	1.7
137.05943	1.9
137.09601	6.6
139.03877	10.9
140.00174	3.4
140.04204	3.2
140.98581	3.4
141.04306	2.4
143.00150	12.6
145.01761	1.8
145.02829	5.3
146.99617	26.2
147.04335	2.7
147.07983	2.1
149.01190	71.9
150.00616	2.0
152.98602	2.3
153.00685	7.3
154.01762	3.6
154.96475	1.8
156.97983	2.4
157.01720	1.6
158.01305	2.8
158.99641	8.4
160.07565	4.6
161.01186	19.4
161.07079	3.7
162.99165	2.9
163.03885	43.2
164.04272	3.3
164.10712	1.7
165.00703	10.3
165.09030	2.7
165.10233	5.0
167.02293	9.3
167.07028	1.9
168.06564	1.8
170.08040	1.6
170.99611	8.6
172.02809	3.7
172.07504	1.9
172.94252	2.1
172.97531	10.0
174.09117	3.1
174.99135	12.1
175.02774	6.0
177.00677	11.4
179.02194	3.1
180.12587	4.3
181.08536	3.0
181.13358	3.0
183.55692	2.1
184.03003	1.4
184.04932	1.9
184.07570	3.5
184.09680	6.1
185.01158	3.5
186.99211	1.9
188.02248	1.7
189.00699	10.4
190.95180	3.6
190.98589	44.2
191.02214	5.2
191.11739	2.5
192.98584	2.6
193.00177	26.2
193.03781	26.6
193.08580	3.9
193.11044	1.6
194.94696	1.7
195.01740	3.2
197.01239	1.7
197.09396	2.0
201.00658	11.0
202.08577	10.0
203.02174	4.5
205.00140	4.9
207.01703	3.2
207.11133	1.6
208.96419	1.5
208.99675	12.9
211.01234	2.6
211.03033	2.5
211.04858	20.9
214.00154	2.7
214.98653	2.4
216.05421	3.6
218.98207	8.5
219.01674	11.8
220.09685	2.3
221.03258	2.2
221.12767	2.1
222.11189	13.0
223.01242	3.5
230.95041	1.8
231.01746	2.1
232.96495	5.1
232.99635	30.9
233.03308	2.5
234.95818	1.7
236.99126	4.9
237.02751	12.0
238.03281	1.9
238.10765	3.2
239.13950	2.5
245.03342	1.9
246.07599	1.8
247.14371	1.7
249.02806	1.9
250.98019	2.9
251.00737	16.2
251.04358	27.1
256.01245	2.8
256.96375	2.9
261.02945	4.1
263.01102	2.2
265.15436	2.4
267.03870	5.4
269.05322	17.4
274.06128	2.7
274.97479	18.2
275.00546	3.1
275.04022	2.6
275.13971	2.0
276.12579	1.4
279.03772	2.8
285.04773	2.6
286.21234	4.4
292.98611	11.6
293.02103	2.2
293.05389	65.9
293.11609	2.5
293.14648	11.3
311.06573	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	293.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86014	3.6
56.96542	7.7
58.19926	3.3
69.87562	26.8
72.72604	3.6
91.43682	3.5
98.21371	4.3
98.97555	7.8
105.57791	4.2
110.97547	3.8
116.98611	5.0
119.01907	18.0
128.98552	6.5
131.01862	6.2
133.03488	4.1
143.01921	19.9
145.03421	12.7
149.01215	5.6
155.01891	4.7
161.02959	34.7
161.99472	5.0
169.79518	3.9
173.02948	13.1
175.04753	4.6
191.04001	7.8
200.04475	4.1
203.03944	11.7
237.02696	4.2
245.07196	4.2
251.04315	6.3
251.51257	4.7
283.37488	4.0
293.06299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68763	1.0
56.96558	27.8
57.03429	1.9
61.02912	2.0
62.47571	0.9
68.92031	0.9
69.03390	1.9
69.49522	5.6
69.49950	3.0
70.98100	1.0
73.02885	2.2
84.95992	3.8
85.02882	4.9
94.06551	2.0
97.02861	2.2
98.97569	13.6
101.00816	2.2
109.15602	1.0
110.97576	5.1
112.99120	61.7
116.98592	8.3
119.00130	1.6
119.01894	4.9
127.03899	1.9
128.98579	11.1
131.00153	100.0
133.03452	7.5
134.99538	4.1
137.02831	1.6
140.98546	1.3
142.93097	0.9
143.00101	2.5
143.01859	5.7
145.01688	1.4
145.03424	3.5
146.99629	7.3
149.01204	65.5
154.01675	3.0
155.01949	2.3
156.97983	2.2
158.99626	4.8
159.05075	5.1
161.01163	2.0
161.02882	8.7
161.04344	1.4
163.02623	1.5
163.03865	2.4
165.00652	1.4
167.02246	8.1
170.99631	4.3
172.02730	2.5
173.01268	1.0
173.02922	4.9
174.99129	13.7
175.01601	0.9
175.02777	12.8
177.00732	1.9
177.05957	2.0
189.00627	3.6
191.02272	2.0
191.03920	3.3
192.98578	1.6
193.00188	16.4
193.03819	37.2
194.01137	1.1
195.07118	2.4
196.72546	0.9
201.00739	4.4
203.02226	1.3
203.04002	4.9
204.02795	1.3
205.03658	0.9
207.01657	1.7
211.01073	1.1
211.04880	31.9
212.02286	1.3
213.03284	1.4
215.14227	1.2
216.05342	2.0
219.01711	4.3
221.03203	1.3
221.08655	1.8
224.26987	1.0
230.98056	1.0
231.07169	5.6
233.05028	1.4
234.06383	1.5
235.01227	1.3
237.02744	4.6
239.08459	0.9
245.02972	1.3
251.04442	6.7
252.33328	0.9
261.02728	4.0
269.05292	3.4
275.06003	5.0
293.05432	53.3
311.06216	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.6
61.01143	9.7
67.05485	4.1
68.99773	3.4
69.98264	1.5
70.59768	6.4
71.00218	1.6
72.04515	12.5
72.35752	1.7
73.02904	2.3
78.03777	20.1
81.03400	3.6
83.04970	4.0
85.02896	16.2
86.06053	4.0
90.11479	1.5
91.05430	4.8
93.03354	2.2
95.04939	3.0
97.02898	1.7
99.04431	10.3
102.03755	32.0
103.02150	1.8
103.03931	23.3
105.06988	1.9
109.02882	3.6
109.23541	1.6
110.04433	1.6
111.04428	5.3
112.04760	2.0
114.03752	3.3
119.04927	7.6
120.04696	3.7
120.05385	2.2
121.05497	2.8
123.04408	88.6
124.04742	49.9
124.07581	2.2
125.04864	38.2
126.05487	25.3
127.03893	9.4
127.99811	1.6
131.06381	17.1
132.04749	12.4
137.93762	1.6
139.03882	100.0
140.04216	70.4
141.04350	82.6
143.04927	3.3
144.05263	2.2
147.04391	23.4
147.05522	2.6
148.04697	14.4
149.04955	15.8
149.07416	69.4
151.03781	2.0
152.04231	2.8
152.07014	3.5
153.04367	2.7
154.08574	3.8
156.06468	2.1
161.05974	7.3
162.06300	7.2
163.06511	7.5
165.04292	2.8
165.05484	11.0
166.05829	11.7
167.05939	12.8
175.05417	3.3
180.06468	16.7
181.07616	2.8
191.06059	3.1
198.07596	6.6
207.06593	2.8
208.06842	4.8
209.06984	9.4
216.08603	4.3
231.11618	5.9
257.09488	3.5
259.49469	1.8
275.07990	2.6
275.10684	4.0
293.08972	7.9
293.11694	49.0
294.11942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.0
57.03422	14.2
58.59790	2.7
60.87624	2.4
63.15368	2.4
67.05485	10.5
69.03417	7.5
69.07037	3.7
69.91542	16.4
71.01335	4.0
71.04984	29.4
73.02892	5.6
75.04470	12.8
79.05478	6.6
81.03413	4.4
81.07043	10.0
82.34350	2.6
83.04967	26.8
85.02889	100.0
87.04453	2.5
89.47569	2.3
91.05479	6.2
93.07037	3.2
95.04930	7.4
95.08567	3.0
95.55658	2.6
96.97757	2.3
97.06541	4.2
98.20730	3.1
98.21284	6.0
99.04471	5.6
101.06032	3.4
103.11951	2.4
105.07022	3.1
107.04946	2.9
107.08570	3.3
109.02832	3.3
109.06525	4.1
109.10125	3.4
111.04430	25.2
113.05980	5.5
119.08593	4.5
121.06444	3.8
123.04365	2.7
125.05997	5.6
127.03909	4.3
129.05461	24.0
133.10028	3.4
147.06508	11.5
153.05414	15.8
157.04962	5.2
171.06509	10.9
195.06380	2.7
195.11696	4.3
199.14717	3.3
201.07538	6.0
211.14890	3.5
235.15236	2.7
237.16315	4.0
239.09111	7.7
250.06104	2.7
257.10257	4.5
275.11224	4.1
275.20187	6.9
293.22726	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	293.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05903	1.9
53.03929	5.2
53.80304	1.9
55.01848	8.9
55.05503	38.0
57.03415	9.2
57.07064	14.3
59.04988	3.8
67.05497	46.9
69.03404	6.2
69.06693	2.7
69.07058	54.3
70.87850	4.7
70.88205	5.0
71.04679	2.1
71.04988	23.7
71.08602	6.5
73.02892	3.8
75.04467	4.9
79.05479	31.7
81.03387	8.0
81.07044	100.0
83.04961	22.2
83.08599	29.0
85.02391	2.9
85.02892	51.0
85.06521	10.7
91.05476	24.1
93.07031	41.5
95.04955	12.0
95.08591	86.2
95.09196	4.9
97.02885	3.0
97.06512	15.1
97.10156	15.3
99.04453	4.1
99.08045	5.5
101.93907	2.1
105.07018	29.2
107.04922	7.1
107.08574	43.9
109.02865	2.6
109.06474	12.3
109.10147	49.0
111.04411	15.9
111.08049	9.5
111.11686	7.6
112.92009	2.2
113.09619	4.2
117.06998	7.0
119.08574	20.2
121.06490	5.4
121.10122	23.8
123.08039	6.2
123.11690	30.1
125.09612	10.7
125.13249	2.7
129.05457	11.7
129.06923	2.4
131.08548	12.0
133.10132	17.4
135.08026	5.1
135.11659	13.8
137.09581	4.4
137.13246	16.6
139.11122	4.1
141.06958	2.5
143.08455	3.3
145.10103	13.8
145.11047	2.0
147.06500	5.1
147.11707	14.6
149.09604	14.3
149.13222	15.2
151.07539	2.7
151.11148	8.4
151.14766	3.8
153.05421	7.0
153.12752	2.3
157.10123	4.1
159.11673	12.0
161.09612	3.6
161.13237	4.7
163.11165	6.0
163.14771	7.3
165.09071	8.4
165.12700	3.7
167.14305	3.1
169.10138	2.6
171.06427	3.6
171.11673	3.1
173.11844	1.9
173.13254	6.0
175.11209	2.7
175.14764	3.0
177.12729	3.2
177.16324	2.6
185.13277	3.1
185.55904	2.1
187.11224	3.4
187.14821	3.5
189.11241	3.7
193.19316	2.6
197.13222	3.3
201.16454	3.3
215.17879	4.0
229.19398	3.1
237.16479	2.5
239.09062	3.6
239.17865	4.3
247.20531	5.2
251.17984	2.9
257.15405	2.1
257.18951	7.3
275.17136	3.6
275.20056	59.3
275.27307	4.3
293.11896	3.0
293.21283	17.0
293.28073	18.0
297.32745	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	2.4
55.01863	10.9
55.05235	1.9
55.05503	34.6
57.03413	1.8
57.07060	6.7
59.04987	2.1
65.03925	3.0
67.05495	33.5
69.03419	2.5
69.07056	26.4
69.50968	11.1
70.68848	1.4
71.04977	3.9
71.08588	3.0
72.08627	1.2
78.62134	1.3
79.05480	42.7
79.05929	2.9
81.03420	3.4
81.07041	38.6
83.04971	4.9
83.08607	19.8
85.06511	3.0
91.05467	25.8
91.44678	1.5
93.07030	23.4
95.04955	8.6
95.08588	34.9
97.06516	8.5
97.10149	27.5
99.08076	1.8
105.07012	28.4
107.04939	7.9
107.08577	100.0
109.06516	8.5
109.10154	22.8
111.08041	3.0
111.11686	2.2
117.07005	6.5
119.08551	15.5
121.06471	1.8
121.10117	11.8
123.04440	2.0
123.08061	4.4
123.11682	7.5
125.09604	17.8
129.06990	2.5
131.08533	10.4
133.06560	1.3
133.10101	19.3
135.08044	5.6
135.11685	8.8
137.13249	5.2
139.03818	1.5
143.08493	2.6
145.10104	12.7
147.07999	1.4
147.11665	11.9
149.09604	16.9
149.13199	2.3
151.11119	1.9
151.14801	2.4
153.09071	1.6
153.12756	3.6
157.10092	2.1
159.11682	6.1
161.13275	2.3
163.11157	3.0
163.14760	2.7
165.09070	2.9
171.11667	1.7
173.11807	1.6
173.13226	3.9
177.09137	1.6
177.12755	3.0
181.12204	1.9
183.11710	1.7
187.11133	2.4
189.11182	16.4
191.17935	1.7
197.13094	1.3
229.19475	2.8
231.17293	1.8
239.17920	3.4
247.20531	2.8
257.18961	8.6
275.20032	60.4
275.27127	2.8
276.20352	2.5
293.20975	13.3
293.28195	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	5.7
55.01863	7.6
55.05277	1.4
55.05508	19.1
57.03418	2.8
57.07056	1.5
65.03925	2.0
66.44609	1.3
67.05495	32.1
69.03403	2.1
69.07055	17.2
70.30548	2.8
70.30935	3.9
71.04972	3.5
71.62242	1.2
74.20248	1.2
79.05481	40.0
81.03400	9.1
81.07042	100.0
82.37715	1.3
83.04935	6.1
83.08598	16.7
85.06532	3.6
90.68507	1.3
91.05463	24.8
93.07036	23.9
94.29469	1.8
95.04947	15.3
95.08586	23.6
97.06522	8.7
97.10146	2.7
98.20801	1.8
99.08053	2.5
104.26010	1.2
105.07011	21.5
107.04938	10.7
107.08571	13.4
109.06501	44.2
109.10154	10.2
111.08064	3.2
115.49555	1.2
117.07015	5.6
119.08562	18.7
121.06481	6.0
121.10140	10.2
123.04401	1.5
123.08068	11.2
123.11664	4.1
125.09647	2.9
129.06989	3.3
131.08566	8.5
133.10110	17.2
135.08034	5.1
135.11662	5.7
137.09576	3.7
141.06973	1.9
143.08488	1.8
145.10110	10.1
147.07986	2.2
147.11656	15.3
149.09599	10.8
149.13235	6.0
151.11165	4.0
151.41756	1.3
157.10168	2.7
159.11670	4.9
161.09576	2.1
161.13260	3.7
163.11153	8.7
163.14789	2.8
165.12727	5.2
169.10132	2.1
171.11685	2.1
173.09618	3.4
173.13174	2.4
175.11215	3.2
177.12773	3.6
183.52518	1.4
185.13147	1.4
187.11227	1.5
187.14767	2.1
193.12218	3.6
197.13263	2.0
201.12759	2.2
214.24011	1.5
221.73886	1.3
223.13210	1.5
229.19545	1.8
239.17879	2.2
247.20532	5.8
257.18909	6.8
275.20020	53.3
293.21027	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	293.2104
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03931	1.6
54.39695	0.6
55.01864	4.7
55.05501	13.9
57.03424	1.6
57.07060	2.5
65.03922	1.3
67.05492	28.4
69.03419	1.7
69.07055	24.2
71.04983	2.6
71.41316	0.6
75.41743	0.7
79.05482	19.7
81.03429	1.1
81.07043	34.0
82.56041	0.7
83.04968	7.9
83.08613	6.1
85.06526	1.4
91.04914	1.4
91.05463	19.5
91.06039	1.0
93.07034	23.7
95.04943	9.2
95.08590	19.1
97.06506	3.8
97.10164	2.6
105.07010	25.7
107.04948	6.2
107.08574	13.7
109.06499	12.8
109.10131	7.7
111.08083	1.8
117.06995	6.8
119.08554	14.4
121.06485	9.6
121.10121	8.7
123.04429	0.7
123.08067	5.0
123.11676	3.0
125.09587	1.4
129.07001	1.8
131.08543	12.8
131.09451	1.0
133.06487	2.9
133.10110	18.5
135.08037	3.3
135.11705	3.6
137.09592	3.9
143.08543	1.7
145.06470	1.5
145.10100	11.7
147.08046	3.4
147.11673	13.0
149.09605	6.2
149.13254	2.6
151.11157	7.6
155.08592	1.6
157.10150	2.5
159.08044	2.3
159.11650	7.2
161.09610	3.4
161.13240	2.8
163.11153	5.9
165.12715	1.7
169.10023	1.0
171.11662	2.1
173.09608	2.5
173.13242	5.0
175.11113	3.7
175.14850	1.1
177.12770	2.4
179.14328	1.1
183.11691	2.7
185.13234	1.1
187.11217	1.9
187.14815	1.4
189.12810	0.8
191.14330	3.5
197.13286	1.6
199.14709	1.1
201.12663	3.2
205.15765	0.9
205.19429	1.0
207.13835	3.2
215.14362	1.0
215.17960	1.3
219.13742	4.7
229.19420	2.4
230.19821	0.8
231.17422	1.4
233.18860	1.7
237.14719	1.3
239.17850	3.9
247.20523	3.3
257.18951	14.3
275.20016	100.0
276.20453	4.2
293.21017	28.1
294.21448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03936	32.5
55.01854	17.5
55.05507	32.3
57.03426	9.1
57.07060	10.8
67.05495	96.4
69.07053	67.6
71.04982	5.2
79.05479	62.6
81.03400	54.3
81.07045	100.0
83.04956	11.9
83.08588	17.3
91.05470	68.0
93.07027	60.9
95.01292	10.4
95.04945	20.1
95.08583	69.9
97.06519	34.2
97.10176	6.2
98.20678	12.7
102.74712	5.0
104.80766	5.6
105.07011	94.2
107.04940	28.6
107.08566	33.7
109.06499	12.4
109.10120	14.2
111.08067	7.1
117.06998	15.0
119.08562	56.9
121.06482	14.2
121.10121	19.4
123.08022	16.4
131.08522	24.1
133.10123	53.1
135.07980	10.1
135.11700	13.8
137.09584	6.7
141.06966	7.1
145.06461	8.6
145.10065	18.5
147.11671	20.1
149.09608	13.7
149.13255	8.0
151.11133	7.5
157.10115	5.7
159.11652	17.2
163.11136	9.9
165.09087	6.4
173.13356	5.1
177.12794	9.5
179.14288	16.1
187.11179	12.3
201.16495	5.9
209.11592	6.3
217.02213	5.6
237.11211	8.7
257.19168	9.3
275.20032	69.4
293.21091	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	3.5
55.01849	7.5
55.05510	18.3
57.03424	20.9
57.07055	4.3
67.05495	41.7
69.07046	21.9
71.44336	3.6
79.05476	46.9
81.03401	4.0
81.07047	42.6
81.78434	3.1
82.48026	3.0
83.08595	15.0
85.06534	8.2
91.05461	50.8
93.07022	61.5
95.04944	10.0
95.08585	28.9
97.06512	15.3
97.10123	7.6
98.05973	3.0
98.21217	20.3
98.99940	3.0
100.13727	2.9
105.07021	44.4
106.00458	3.4
107.04925	5.1
107.08562	43.1
109.06495	25.9
109.10114	9.7
111.08095	4.4
117.06999	16.9
119.08546	36.6
121.06483	7.9
121.10129	17.4
123.08036	7.3
123.11670	4.5
125.09590	7.9
129.06952	7.7
131.08569	27.2
133.10101	23.3
135.07986	4.8
135.11641	8.1
137.09578	5.0
139.07494	3.3
143.08566	7.0
145.10115	19.2
147.11644	21.1
149.09610	14.4
149.13211	4.5
149.55583	4.6
151.11195	4.8
157.10075	4.8
159.11639	23.1
161.13226	13.7
163.11169	5.6
164.49599	4.0
171.11720	5.3
173.13228	8.0
175.14758	3.5
177.05437	9.7
178.06158	7.5
185.13219	25.5
189.11198	4.6
191.06964	4.0
201.16327	8.1
203.14233	15.5
205.11943	3.5
205.15904	3.4
219.17421	54.9
221.15311	20.8
226.68596	3.7
229.19415	4.4
229.49031	4.6
233.11690	10.2
239.17995	9.3
242.19354	3.2
257.18912	13.8
275.20023	100.0
276.20215	4.1
293.07834	3.9
293.20978	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	7.6
55.01861	13.6
55.05504	28.9
57.03421	6.5
57.07062	31.7
60.09382	2.5
67.05495	54.0
69.06683	6.1
69.07058	100.0
70.07835	7.0
70.28806	6.1
70.29209	9.1
71.04982	4.7
71.08617	3.1
74.64999	3.1
79.05482	44.1
81.03398	8.9
81.07045	98.5
81.53294	2.7
82.99983	2.6
83.04954	4.4
83.08602	11.0
85.06538	5.4
91.05473	38.8
93.07030	40.5
95.04957	24.2
95.08589	34.8
97.06503	9.9
97.10136	4.7
98.20830	3.8
98.21395	4.0
99.08086	3.5
105.07017	40.4
107.04938	11.2
107.08579	36.9
109.06491	28.0
109.10143	25.3
111.04420	3.0
111.08045	4.0
115.07560	20.1
117.07008	11.5
119.08559	40.6
121.06508	10.9
121.10140	14.1
123.08047	16.6
123.11724	7.8
125.09630	6.9
126.99486	7.8
129.01010	14.3
129.07001	3.6
131.08543	21.5
133.10107	32.0
135.08035	12.8
135.11685	8.6
137.09596	15.4
141.00998	22.5
141.09253	2.9
145.10124	15.9
147.08066	3.2
147.11649	13.8
149.09637	9.4
149.13280	6.5
151.11197	11.8
155.02557	4.9
155.08589	3.5
157.10164	2.8
157.37267	2.8
159.11679	10.2
161.09634	3.1
161.13280	5.9
162.98662	2.7
163.11179	9.1
165.12724	3.8
168.09352	2.6
169.10013	2.9
173.09532	2.8
173.13225	6.4
177.12733	4.9
187.14662	3.4
197.07253	53.3
197.13225	2.9
209.11722	4.0
225.06758	5.6
229.19579	3.2
237.11086	6.0
239.17830	4.5
247.20590	10.3
257.18967	7.6
275.16931	2.2
275.20013	64.1
293.21082	60.4
294.10034	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03926	5.6
55.01860	7.9
55.05500	24.1
57.07057	6.0
65.03915	2.5
67.05138	2.7
67.05495	47.1
69.03403	1.9
69.07053	22.6
69.40816	6.4
69.41248	10.9
71.04964	5.6
79.05487	45.4
81.03400	7.0
81.07044	100.0
83.04963	7.3
83.08614	13.0
85.06532	4.3
91.05469	37.3
93.07036	33.6
93.07594	3.8
95.04962	24.0
95.08598	34.0
97.06505	8.5
97.10124	4.8
99.08065	2.5
105.07020	38.6
107.04940	10.2
107.08575	27.4
109.06510	26.5
109.10130	20.0
111.08054	3.9
112.66650	1.7
115.05431	1.6
115.56751	1.5
117.06998	9.5
119.08568	34.4
121.06485	5.1
121.10108	19.0
122.03571	3.3
123.04430	2.9
123.08063	17.0
123.11704	9.0
125.05918	1.8
125.09637	4.7
131.08551	11.5
133.06474	2.1
133.10117	24.4
135.08035	9.3
135.11659	9.5
137.05963	43.8
137.09584	9.9
139.03842	2.2
143.08554	3.0
145.10095	13.3
147.11688	20.6
149.09616	10.5
149.13205	3.7
151.11151	6.7
157.10091	3.2
159.11635	8.8
160.89655	1.9
161.13211	4.1
163.11183	9.5
165.12724	5.9
171.11612	1.9
173.09601	3.4
173.13269	5.1
175.11143	3.9
177.12778	2.1
183.11731	2.0
183.55510	1.7
187.14822	2.6
189.29469	1.7
191.10645	2.3
191.14313	2.6
197.13281	1.9
209.11710	3.8
213.16295	2.0
223.13190	3.0
229.03664	1.7
229.19510	4.0
233.15311	2.1
237.11172	4.2
239.17897	4.9
247.20464	4.6
257.18994	9.0
275.20029	65.4
275.23032	3.8
276.20389	2.3
293.21048	38.4
293.24167	3.2
294.21567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03934	5.9
55.01861	14.8
55.05502	59.3
57.03426	3.8
57.07053	6.2
67.05178	4.3
67.05494	42.5
69.03406	5.9
69.07044	13.2
70.17155	4.4
70.17578	9.8
75.24002	2.6
79.05477	78.7
81.03391	4.1
81.07047	36.8
83.04958	11.1
83.08589	17.6
83.32986	2.6
91.05460	27.5
93.07028	37.8
95.04947	11.6
95.08594	13.5
97.06512	24.8
97.10143	30.0
99.02053	3.3
105.07014	27.3
107.04928	45.6
107.07903	5.4
107.08573	60.5
109.06496	4.0
109.10115	18.2
111.08074	4.3
117.06994	9.9
119.08565	21.1
121.10138	20.9
123.08038	5.9
123.11658	11.0
125.09618	38.1
127.45491	2.6
131.08543	12.6
133.10110	22.7
135.08041	6.8
135.11696	7.5
137.09599	3.2
145.10114	7.9
147.11633	17.5
149.09592	93.5
151.11096	3.5
153.09030	5.0
159.11687	7.4
161.13254	5.5
163.11143	4.2
165.12570	3.2
169.12187	4.7
171.10271	3.1
173.09653	2.6
173.11781	4.2
173.13231	6.5
187.13177	5.5
189.11195	25.0
196.92114	3.0
209.11765	3.0
215.17822	3.0
229.19456	10.9
237.11217	3.7
247.20554	5.8
257.19031	22.5
275.20029	100.0
276.20337	4.2
286.12253	3.1
293.21048	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.86216	1.2
53.03925	4.1
55.01864	11.6
55.05505	18.7
57.07060	3.7
59.04998	1.4
59.22994	1.3
65.03918	2.1
67.00322	1.6
67.05495	21.0
69.07052	12.6
70.46467	5.7
71.08599	1.4
79.05482	28.3
81.03393	5.2
81.07048	19.8
83.04961	3.7
83.08598	7.3
87.15425	1.4
91.05457	17.0
93.07027	20.0
94.04149	2.4
95.04968	7.3
95.08590	15.4
97.06525	12.2
97.10157	9.0
98.20799	1.6
98.98418	1.7
105.07014	20.5
107.04927	6.2
107.08580	42.9
109.06493	5.7
109.10143	6.1
111.04393	1.8
111.08051	1.9
117.06987	7.0
119.08588	12.5
121.10136	7.4
122.03594	6.7
123.04426	2.0
123.08044	3.7
123.11683	3.0
125.09574	8.5
131.08568	7.1
133.10092	11.6
135.08020	4.6
135.11655	6.0
137.05952	100.0
137.09607	1.7
141.12695	3.2
145.10092	7.2
147.11710	7.4
149.09589	12.7
149.13243	1.7
151.11147	4.3
155.08455	1.6
157.10185	2.0
159.11679	4.6
161.13199	2.2
163.11150	4.7
165.09102	5.9
169.10121	2.1
171.11627	2.6
173.13219	3.4
177.12662	1.9
183.11650	2.8
187.11099	2.2
188.61632	1.6
189.11192	6.3
229.19514	2.5
237.11128	2.7
239.17908	2.7
247.20613	4.3
257.18826	7.7
275.20013	57.4
293.21039	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	293.2106
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.93249	0.9
53.03938	3.3
55.01862	7.0
55.05504	36.5
57.03422	7.5
57.07060	13.4
59.04977	1.3
59.69858	0.9
65.03918	3.1
67.05492	51.1
69.03432	8.3
69.07054	47.2
70.28980	4.4
70.29358	1.7
71.01351	1.7
71.04979	19.1
71.05331	1.7
71.08612	5.8
73.02904	1.6
75.04472	5.0
79.05479	33.0
81.03419	6.7
81.07043	100.0
83.04971	17.5
83.08607	32.7
85.02890	41.7
85.06519	8.9
85.10168	2.4
85.48235	1.2
87.04456	1.3
91.05461	22.0
93.07027	39.7
94.47613	0.9
95.04949	14.7
95.08591	84.0
97.06517	13.8
97.10149	16.0
98.20747	1.6
98.21320	1.8
99.04444	1.7
99.08095	7.7
101.06030	1.6
105.07008	26.3
107.04932	7.7
107.08576	45.2
109.02883	1.9
109.06489	11.2
109.10136	52.0
111.04438	9.5
111.08067	9.1
111.11721	4.5
113.09629	3.1
117.06973	8.0
119.04926	1.2
119.08566	16.6
121.06483	5.7
121.10130	24.5
123.04398	2.1
123.08066	7.6
123.11684	35.9
125.06014	1.3
125.09608	10.0
125.13258	2.4
127.03916	1.3
127.07532	1.4
128.06247	1.5
129.05466	9.7
129.06984	4.0
131.08554	10.1
133.06491	2.8
133.10121	16.2
135.07996	6.3
135.11688	13.4
137.06001	1.9
137.09608	5.8
137.13225	24.9
139.03944	1.7
139.11166	3.0
139.14761	1.2
143.08551	3.3
145.10109	10.3
147.06520	3.6
147.07986	1.4
147.11658	13.2
149.09598	11.6
149.13231	19.7
151.11130	5.5
151.14787	4.2
153.05438	5.8
153.12729	2.0
155.08546	3.0
157.10127	4.6
159.11676	8.3
161.09657	1.5
161.13252	4.0
163.11162	7.3
163.14813	4.5
165.09094	3.9
165.12744	2.4
165.16406	2.0
167.14273	7.2
169.10130	3.1
171.06526	4.5
171.11627	2.6
173.09563	2.3
173.13226	5.3
175.07634	1.1
175.11179	3.7
177.12793	3.1
177.16362	1.9
179.10608	1.2
179.17952	1.6
183.11681	3.0
183.17441	1.3
183.81674	1.0
185.13239	1.6
187.11218	1.6
187.13231	1.3
187.14796	2.1
189.11197	3.7
189.12738	1.7
193.12241	3.9
193.19412	1.3
195.11691	2.0
197.13268	2.9
199.14787	2.1
199.59467	1.0
201.07596	1.5
201.12796	1.7
211.14880	1.4
215.17899	1.4
219.21069	2.0
223.14799	2.0
229.19434	5.0
237.16371	1.3
239.06970	1.7
239.09135	3.0
239.17953	3.7
247.20502	4.5
249.25690	1.5
254.09441	3.6
257.18997	7.9
264.21939	1.0
275.11246	1.5
275.20010	54.4
275.27246	3.3
276.20483	1.7
293.08527	1.1
293.12073	2.0
293.21289	14.1
293.28210	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03934	2.1
55.05508	9.5
57.07061	1.6
62.78838	0.8
65.03917	2.8
65.45268	1.0
67.05497	99.5
69.07059	10.1
79.05479	16.6
81.07047	100.0
82.07370	1.2
83.04967	1.4
83.08614	7.4
85.06514	2.9
85.94983	1.0
91.05463	6.4
93.07037	15.7
95.04944	2.9
95.08593	77.5
96.08923	2.0
97.06505	2.0
97.10146	3.0
99.08051	2.2
105.06395	0.9
105.06996	5.1
107.08595	9.7
109.06532	1.6
109.10136	29.5
111.08069	1.6
117.06988	3.0
119.08587	5.7
121.10125	8.5
123.08062	1.8
123.11691	17.3
125.09613	1.7
131.08582	7.6
133.10089	4.2
135.08011	2.3
135.11673	9.8
137.09593	2.7
137.13234	8.4
145.10089	3.7
147.11720	4.3
149.09621	3.2
149.13231	3.8
151.11137	1.8
151.14804	5.1
159.11649	4.5
161.13245	3.9
163.11163	2.9
163.14792	3.2
165.12752	1.5
173.13229	6.2
177.12727	4.9
177.16348	3.3
187.14825	3.7
191.14284	2.1
195.13914	1.2
205.15898	1.2
209.15305	1.5
219.21075	1.3
223.17125	1.1
229.67970	0.9
237.11205	1.0
243.21014	6.3
257.18756	1.5
261.22113	5.3
275.19968	3.7
284.91275	1.0
293.21283	1.7
293.24710	10.4
297.78052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2469
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
55.05492	7.2
57.07029	3.3
58.44749	1.9
64.38225	1.9
67.05492	84.7
69.07058	11.2
70.82864	6.2
74.18025	2.4
79.05476	8.7
81.07042	100.0
83.04971	2.3
83.08592	7.9
85.06550	3.1
91.05463	4.9
93.07024	15.8
95.08590	92.5
96.08910	2.2
97.06490	2.3
97.10165	4.8
107.08578	6.6
109.10138	55.3
111.08059	2.7
117.06945	2.4
119.08562	4.9
121.10146	10.4
123.08031	3.4
123.11691	48.1
131.08530	6.6
133.10085	7.2
135.11668	11.2
136.91341	2.1
137.13242	17.8
145.10117	6.4
147.11603	3.3
149.09563	4.1
149.13235	5.8
151.11160	5.8
151.14766	5.8
159.11676	4.4
161.13240	4.2
163.11148	3.8
163.14847	3.3
165.12740	4.6
168.86916	2.1
173.13220	6.1
177.12779	3.7
177.16331	2.6
187.14757	5.1
191.14264	5.9
195.13780	2.8
201.16312	2.8
209.15271	2.3
223.16768	2.4
237.18469	2.6
243.21114	10.5
261.22064	14.0
293.21472	2.4
293.24698	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	293.2834
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.99961	1.2
53.03929	1.7
55.01858	2.0
55.05504	30.0
57.07065	21.7
65.03922	1.6
67.05491	34.9
69.03415	2.1
69.07057	61.1
70.18503	6.0
71.04967	3.2
71.08622	12.4
79.05479	13.6
81.07043	100.0
83.08607	37.2
85.06535	12.0
85.10155	3.4
91.05454	4.7
93.07032	25.6
95.04954	2.1
95.08591	95.2
97.06506	4.6
97.10152	16.6
99.08096	8.4
105.07002	4.6
107.08577	30.8
109.06480	1.2
109.10143	57.3
111.08074	11.8
111.11715	10.0
113.09641	1.9
121.10133	19.5
123.11687	41.3
125.09583	4.8
125.13228	3.8
127.11106	1.3
135.08072	1.5
135.11655	9.8
137.12245	2.5
137.13235	29.4
139.11113	2.6
149.13235	28.8
151.14806	5.3
153.12743	3.0
163.14798	8.0
165.16347	4.6
167.14307	10.4
177.16374	1.5
179.17953	2.8
185.54504	1.3
191.17950	1.4
193.19461	2.0
219.21059	3.3
249.25714	2.8
275.19952	1.6
275.27356	6.9
293.28320	46.0
313.21216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03931	3.0
54.15619	1.3
55.01847	4.6
55.05242	1.8
55.05502	31.2
57.03416	2.9
57.07065	15.9
59.04976	2.7
65.03916	2.0
65.89394	1.3
67.05139	2.3
67.05492	38.4
69.03401	4.5
69.07056	58.7
71.04979	11.9
71.08604	6.3
71.67915	2.0
71.68329	1.5
79.05476	23.8
81.03389	2.8
81.07041	100.0
83.04965	8.1
83.08606	35.0
85.02887	13.8
85.06538	11.1
85.10162	2.0
91.05462	13.3
93.07027	34.0
95.04951	9.9
95.08588	83.6
97.06499	9.7
97.10154	20.1
98.98459	1.6
99.08076	6.5
105.07018	14.2
107.04928	3.9
107.08574	40.3
109.06506	4.7
109.10139	59.4
111.04425	3.8
111.08047	9.9
111.11722	8.4
113.09624	4.4
117.06982	4.7
119.08549	8.8
121.06497	3.8
121.10115	21.6
123.04444	2.1
123.08026	4.8
123.11686	35.5
125.09602	6.1
125.13244	1.9
127.11144	1.9
129.05469	3.8
129.07004	2.6
131.08543	6.2
133.10089	10.3
135.08078	7.0
135.11671	12.0
137.05937	1.9
137.09598	5.5
137.13235	23.0
139.11142	3.4
143.08592	1.7
145.06441	2.1
145.10081	6.2
147.11664	8.4
149.09563	6.3
149.12244	1.9
149.13240	16.7
151.11177	1.6
151.14790	4.1
153.12735	2.8
155.10603	1.7
157.10051	2.3
159.11656	6.7
161.09586	2.8
161.13258	2.2
163.11174	4.5
163.14806	5.5
165.12663	1.8
165.16338	2.7
167.14299	6.2
171.06473	1.9
171.11725	1.7
172.72794	1.5
173.09525	1.6
173.13194	3.9
175.11089	2.7
175.14783	2.3
177.12718	1.8
177.16342	2.4
183.11687	3.2
189.16397	2.4
191.17964	1.9
193.12206	3.0
193.19421	1.8
201.12662	2.7
205.19328	1.7
219.13695	4.3
219.21074	2.5
237.14941	3.1
239.18048	2.7
249.25854	1.6
257.10120	1.5
257.18912	4.6
275.20035	22.8
275.22998	2.9
275.27386	4.6
276.20313	2.2
293.08099	1.4
293.11465	2.5
293.20966	19.1
293.24738	3.3
293.28217	29.1
294.21460	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90089	0.2
55.01819	0.3
55.05491	0.4
55.42610	0.3
57.07049	1.3
57.69743	0.3
59.18028	0.3
65.03925	0.3
66.04694	0.3
67.05489	0.7
69.07038	0.4
70.82331	0.3
71.08596	1.3
71.22540	0.6
79.05457	1.1
81.07037	0.9
82.09017	0.3
91.05441	0.9
92.90909	0.3
94.04159	2.3
95.04935	0.4
107.04955	0.4
109.06475	0.3
113.29663	0.3
122.03614	7.6
129.49814	0.3
137.05943	100.0
138.06294	1.3
141.12724	2.7
158.15367	1.1
273.54004	0.3
276.20285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2059
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.81717	0.2
53.03939	0.2
55.05488	0.3
57.07055	0.9
58.02933	0.5
66.04697	0.3
67.05493	1.0
69.07059	0.3
70.97885	0.6
71.08625	0.3
79.05467	0.9
79.35281	0.2
81.07037	2.2
91.05453	0.5
91.23369	0.2
94.04166	2.5
107.04963	0.5
107.08540	0.3
109.06507	0.7
122.03622	6.6
123.11684	2.0
137.05949	100.0
138.06277	1.3
158.15340	1.1
164.02356	0.2
170.15387	2.2
222.08279	0.3
276.20392	0.5
294.11053	0.2
294.20990	0.4
300.50095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01816	0.7
55.05487	1.2
60.04507	1.4
65.03901	1.2
67.05501	2.0
68.99744	1.1
69.03398	2.1
69.07047	1.1
70.02944	7.0
70.06566	1.4
71.01348	1.0
71.04971	1.9
71.69545	1.0
72.08125	2.2
74.02417	3.9
79.05464	2.2
81.07014	1.8
84.08133	0.9
88.03977	38.5
91.05458	4.1
92.05009	1.5
93.07001	2.8
94.06552	40.2
95.04967	2.4
97.02831	1.2
98.02383	1.6
99.00807	4.6
104.03456	13.5
104.04952	3.3
105.07041	1.4
107.04950	1.5
107.08576	1.8
116.03437	2.3
117.07059	1.2
118.06536	1.8
119.04902	2.4
119.08581	1.3
120.04443	10.5
120.08060	1.7
123.04404	3.7
124.04732	1.8
125.04896	2.8
126.05180	1.5
130.04951	2.0
131.08539	1.7
132.04449	5.2
133.06482	1.1
133.10104	1.2
136.06094	0.9
136.07547	2.7
137.05956	1.6
139.03874	2.7
140.04208	3.1
141.04314	6.3
141.07001	0.9
142.04645	2.8
143.04967	2.1
143.08537	1.5
145.10136	0.9
146.05984	100.0
147.04372	5.1
149.04953	1.1
150.05464	3.8
155.08569	0.9
156.02855	5.6
158.04443	1.3
159.08008	1.0
163.03841	3.9
163.08717	0.9
165.06895	1.5
167.05788	1.0
171.11656	1.2
174.03946	15.3
174.05475	41.7
175.03905	1.6
185.13194	1.3
192.06511	4.8
195.11627	1.0
196.86446	0.9
202.03445	11.6
202.05254	1.2
207.06540	2.1
247.13232	2.1
259.13242	3.7
277.07980	1.2
277.14307	11.9
295.06058	2.5
295.09525	1.9
295.15683	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1325
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
53.03925	0.6
55.01847	0.4
55.05484	0.5
55.35908	0.2
56.96545	0.3
57.07061	0.3
67.05485	1.2
69.07043	0.9
71.19851	0.6
71.40623	0.2
75.63316	0.3
79.05478	1.4
81.03407	0.3
81.07034	1.5
83.04955	0.3
83.08601	0.4
83.79763	0.3
91.05475	0.6
93.07030	0.7
95.04964	1.6
95.08591	1.1
100.01103	0.3
105.04454	0.5
105.07000	0.5
107.04931	100.0
108.05284	1.2
109.06465	0.3
109.10163	0.6
119.08591	0.3
120.18905	0.3
121.06536	0.4
121.10045	0.3
123.11708	0.4
131.04814	0.3
131.08513	0.3
133.10112	0.4
143.08517	0.3
143.34650	0.3
145.10126	0.4
147.08017	1.1
149.13335	0.3
161.13181	0.3
171.08089	0.4
184.07317	0.5
189.09067	12.7
225.09093	0.7
277.21564	0.5
295.05890	0.3
295.13272	3.9
304.96240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.6
55.01852	1.0
56.96515	0.8
62.04031	0.6
64.95054	0.7
65.03928	1.4
67.05460	1.1
69.03394	1.0
69.07035	0.9
70.06577	1.3
71.04999	0.9
71.69317	1.1
72.08144	15.0
77.03902	0.8
79.05489	0.8
81.07027	1.9
84.08110	2.4
86.09698	1.6
88.03951	1.3
89.03892	0.9
89.10772	9.8
91.04924	1.5
91.05462	21.2
93.07030	1.4
94.06560	1.6
95.04976	1.3
95.08582	1.0
105.07011	0.8
107.04949	0.8
115.08643	1.1
117.03366	1.5
119.04920	33.7
120.04449	0.8
120.05248	1.3
121.02794	0.9
123.04395	2.0
123.09587	0.8
126.05172	0.9
132.02014	0.9
135.04401	3.5
136.07541	4.6
136.18578	0.7
137.23349	0.7
139.03860	1.9
140.04153	1.3
141.04303	1.3
143.04881	0.9
145.02814	2.2
146.03818	0.7
146.05984	2.9
147.04381	26.6
148.04684	1.1
149.02313	1.3
150.07703	2.1
151.11166	2.1
157.03951	2.9
161.06001	1.1
163.03882	12.7
164.04625	1.0
175.03870	50.5
176.04277	1.6
179.07028	2.2
193.06520	0.8
207.06488	100.0
208.06770	3.4
221.05995	3.3
249.02850	1.0
249.05461	1.6
267.03806	1.0
267.06400	0.9
278.13678	3.3
279.13367	0.8
295.05759	5.3
295.09094	0.8
295.12949	1.9
295.16437	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	295.2263
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03919	8.0
55.01857	12.5
55.05499	42.6
57.03429	8.9
57.07058	14.9
60.22751	6.7
67.05495	100.0
69.03401	9.8
69.07066	51.9
71.08624	27.3
71.68961	9.6
79.05470	49.4
81.03394	16.4
81.07042	82.5
83.04966	16.7
83.08607	32.7
91.05465	36.8
93.07033	65.7
95.04961	15.9
95.08596	60.3
97.06497	11.6
97.10156	29.1
99.08073	15.2
104.10710	7.1
105.06993	30.2
107.04942	11.5
107.08568	32.7
109.10116	35.2
111.08070	11.7
116.19109	6.2
116.95950	6.0
117.06993	6.4
119.08545	26.4
121.10131	25.0
123.08079	11.8
123.11705	13.6
125.09613	14.8
126.09973	5.9
131.08574	9.1
133.10121	26.6
135.11685	26.5
137.09598	9.9
139.11180	11.7
143.08575	9.0
145.10153	7.9
147.08011	5.9
147.11639	21.0
149.13251	12.0
151.11188	18.2
159.11658	6.6
161.13226	18.9
163.11172	9.0
165.12775	11.9
175.14670	8.6
179.14299	9.2
181.12268	6.3
193.12064	6.9
241.19444	10.7
247.95235	7.3
265.12308	8.0
277.21381	81.9
295.22354	33.0
296.25558	31.8
306.68207	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	295.2264
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.94027	4.0
53.03934	11.0
55.01861	32.4
55.05502	67.2
57.03421	9.1
57.07065	15.6
61.45361	3.4
63.30533	3.2
65.03941	4.2
67.05493	93.2
69.03426	5.3
69.07054	57.0
70.30016	12.1
71.04973	11.5
71.08616	34.7
79.05479	69.5
81.03404	16.1
81.07037	100.0
82.81667	3.5
83.04964	17.9
83.08595	40.8
85.06551	11.2
85.10148	6.1
86.06039	8.9
91.05466	54.0
93.07026	79.6
95.04945	27.4
95.08591	70.2
97.06522	16.3
97.10158	20.5
99.08104	23.8
105.07005	44.4
107.04942	20.0
107.08573	37.6
109.06499	11.0
109.10129	33.1
111.08069	40.3
113.09634	6.8
117.07027	10.6
119.08559	37.5
121.10135	28.0
123.08055	9.2
123.11678	9.6
125.09605	19.7
127.11133	3.9
129.07066	7.0
131.08557	11.3
133.06487	8.0
133.10114	27.3
135.08089	5.7
135.11700	22.1
137.09605	5.7
139.11156	15.8
143.08580	5.3
145.10104	8.8
147.11638	19.4
149.13255	15.1
151.11159	29.0
153.09109	4.1
153.12679	3.6
157.10164	8.7
159.11652	9.9
161.13217	22.8
163.11177	12.4
165.12761	11.5
171.11627	5.9
173.13237	8.1
175.11179	7.5
175.14832	9.3
179.14304	7.3
185.13217	6.5
189.11223	11.8
189.12798	4.7
191.14337	5.7
193.12228	5.5
221.15277	6.5
241.19443	7.7
249.22165	6.0
259.20590	11.3
265.11847	3.9
277.21521	95.1
277.24097	7.0
295.05948	4.6
295.19446	8.2
295.22559	68.7
296.25748	9.8
298.92313	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.67842	3.7
55.05488	17.4
56.74660	3.3
57.07055	4.4
67.05489	39.2
69.07053	14.1
70.00938	8.5
70.01361	14.0
71.04951	3.5
71.08617	47.5
73.71858	3.5
79.05474	48.6
81.03404	8.3
81.07040	55.6
83.04958	12.1
83.08588	13.3
91.05467	29.0
93.07027	64.1
95.04945	6.2
95.08588	37.1
97.06531	8.9
97.10161	7.3
97.72369	3.6
98.20841	9.4
98.21406	4.2
99.08073	35.7
105.06992	22.1
107.04919	7.1
107.08578	33.3
109.10123	19.9
111.08096	5.3
119.08559	15.0
121.10121	30.6
123.08019	4.1
126.89677	4.1
133.10120	11.2
135.11682	39.0
145.10117	4.5
147.11612	5.8
149.13234	10.4
151.11145	18.1
152.50714	4.6
153.12747	4.4
161.13226	12.3
163.11192	5.2
165.97281	3.4
179.14276	100.0
189.12730	4.6
259.20486	5.1
277.21606	37.5
295.22464	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	295.2262
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.23115	3.8
51.79187	3.4
52.79836	3.4
53.03933	29.6
55.01848	8.9
55.05499	42.9
57.07059	8.4
61.63348	4.1
67.05495	68.9
69.07056	48.5
71.04974	5.1
71.08634	6.0
76.04867	3.6
79.05474	40.8
81.03410	74.7
81.07047	78.6
83.04953	16.6
83.08596	11.5
85.06506	4.7
85.61115	3.7
91.05464	32.6
93.07030	44.1
95.04954	49.0
95.08604	29.6
97.00386	4.2
97.06509	7.8
97.10126	10.9
98.20831	17.3
99.08009	4.8
99.76494	3.9
105.07013	27.5
107.08575	33.7
109.06484	13.0
109.10132	24.4
111.08043	4.9
117.07056	6.0
119.08556	13.3
121.10107	15.3
123.11677	11.3
125.09608	12.0
130.88681	4.2
133.10092	25.3
135.07932	5.7
135.11665	9.0
137.09586	5.1
147.11632	18.4
149.13216	7.6
151.11168	76.1
159.23430	4.0
161.09543	4.1
161.13202	15.5
165.12733	12.4
171.11623	4.0
175.14836	7.1
179.14246	8.3
184.05858	3.9
207.13683	7.8
209.15352	4.4
231.21040	16.9
249.22176	11.0
259.20511	14.3
277.18658	7.4
277.21591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2579
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
53.03933	0.5
54.92658	0.4
55.01857	0.6
55.05500	8.1
56.05013	1.9
57.03419	0.9
57.06799	0.9
57.07062	12.4
58.02938	1.1
58.06587	3.6
58.19047	0.5
60.04514	4.0
66.53925	0.4
67.05493	7.6
68.05003	2.1
69.03409	1.8
69.06745	0.7
69.07058	7.8
70.02946	6.2
70.06564	2.0
70.07417	2.7
70.86408	0.4
71.01346	0.7
71.04974	1.2
71.08612	7.0
72.04496	7.3
79.05475	4.6
80.04999	1.3
81.07043	8.1
82.02905	0.6
82.06579	2.3
83.04967	2.5
83.08595	4.2
84.04483	3.6
85.10168	3.4
86.06050	27.7
91.05445	1.7
93.07032	3.9
94.06528	0.8
95.04935	1.4
95.08586	8.3
96.04470	3.8
96.08099	1.7
97.02850	2.0
97.06499	1.5
97.10137	2.2
98.06023	2.6
99.06814	1.7
100.03957	1.3
100.07587	0.5
105.07024	1.1
107.04916	0.7
107.08565	2.8
109.06397	0.6
109.10138	2.4
110.06015	4.0
110.09660	1.2
111.04420	5.8
111.11711	0.8
114.05475	0.6
119.08589	0.5
121.06490	0.5
121.10113	1.6
122.09616	0.7
123.11654	0.9
125.05992	0.6
133.10069	0.5
135.08072	0.7
135.11646	1.1
137.13228	0.6
138.09076	0.5
139.07475	0.8
149.13235	0.6
190.92665	0.5
210.22183	0.5
229.25453	0.5
240.26823	2.0
241.87790	0.5
250.25270	4.4
251.23674	5.4
260.23730	0.9
261.22073	0.8
266.24753	11.6
267.22992	0.7
268.26294	26.6
269.26596	0.9
278.24719	13.7
278.27762	0.7
279.23093	6.2
296.25784	100.0
297.26178	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12864	4.7
56.96561	41.3
69.03409	5.4
69.85917	23.6
69.86333	9.6
73.47896	5.5
84.96046	5.4
98.97564	87.3
110.97569	18.7
112.89573	18.6
115.38180	5.9
116.98607	100.0
128.98575	33.3
134.98685	9.0
134.99628	83.0
143.00110	12.8
146.99664	33.6
153.00732	10.7
158.99670	34.7
161.01202	11.9
170.99706	12.4
177.00711	50.5
182.18288	5.2
182.98106	5.4
183.98027	5.7
189.00734	25.6
192.98506	5.8
195.00795	12.2
200.02393	8.5
201.00801	22.5
202.20816	5.6
203.98689	7.5
207.01680	15.8
210.01360	14.0
215.54971	7.2
216.01334	12.9
216.51350	8.6
218.99879	5.2
219.01756	29.4
220.02336	6.6
221.01765	7.9
225.01901	11.9
231.01823	10.1
232.96375	7.7
233.49464	9.4
234.99635	11.9
237.02841	74.7
244.00224	6.1
245.03618	7.4
250.97835	5.6
255.03973	57.0
261.03006	7.3
274.97455	32.9
279.03842	45.4
292.98578	20.6
297.04907	79.3
301.98178	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	297.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
53.50790	0.4
55.05488	3.0
57.03429	3.1
65.03929	1.2
67.05492	35.7
69.03420	3.3
69.07050	1.6
69.71391	3.5
71.04977	2.5
79.05473	4.9
81.07041	23.5
82.07384	0.5
83.04986	1.0
83.33002	0.4
91.05467	2.0
93.07034	4.2
95.04940	5.2
95.08593	9.0
97.02863	1.6
97.06503	0.4
99.04414	0.5
99.08069	0.8
101.06003	0.5
102.24732	0.4
105.07033	1.3
107.04951	0.7
107.08567	4.3
109.06492	3.0
109.10137	70.6
110.10470	1.3
113.87878	0.5
115.03933	0.6
117.06998	0.5
119.08579	4.3
123.04414	0.5
123.07955	0.5
124.03947	1.2
125.05961	0.5
127.07523	1.6
131.08612	0.4
137.09590	100.0
138.09937	1.5
145.10149	0.5
147.08014	0.4
155.10622	2.1
160.12837	0.4
165.09090	60.9
166.09454	1.0
171.06543	2.9
183.06511	3.6
183.10139	1.1
184.66862	0.4
251.12732	1.1
258.30637	0.4
267.52396	0.5
269.13846	1.8
279.12219	9.0
297.13327	15.1
297.18521	0.6
298.13416	0.5
318.69662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01852	1.1
55.05498	4.2
57.03158	0.6
57.03424	7.7
57.07056	1.0
61.47366	0.6
65.03926	2.1
66.28682	0.5
67.05492	44.1
69.03409	4.3
69.07043	3.2
69.56641	2.8
69.57065	2.1
69.58560	0.5
70.06571	0.6
71.04982	10.3
79.05471	9.7
81.03412	1.2
81.07041	33.4
83.04963	0.9
83.08576	0.9
85.02885	0.7
85.06508	1.0
91.05449	7.1
93.07036	8.2
94.07787	0.6
95.04385	0.8
95.04949	7.0
95.08586	14.0
97.02869	1.9
97.06522	1.0
99.04419	0.9
99.08064	1.6
103.05416	0.9
104.06248	0.8
105.07010	10.5
107.04924	2.5
107.08561	7.8
108.08099	1.1
109.06503	6.4
109.10134	71.6
110.10464	0.7
115.05439	0.7
117.06999	2.0
119.08553	8.8
120.04443	0.6
120.08057	0.6
121.06469	1.6
121.10125	2.7
123.04430	0.8
123.08035	1.5
123.11684	1.4
124.03924	0.6
125.05913	0.8
127.07542	6.4
128.06171	1.7
129.06990	2.7
130.07777	1.2
131.04872	0.6
131.08543	5.0
133.06465	3.0
133.10092	3.0
135.11656	2.2
136.07533	5.0
137.09589	100.0
138.09940	2.0
141.06970	1.4
142.07751	2.0
143.08496	5.1
144.09341	1.0
145.06409	1.6
145.10092	5.3
147.04408	1.2
147.08014	1.7
147.11732	0.9
148.07524	0.8
149.05948	3.7
149.09628	0.9
153.06989	0.8
155.08563	4.5
155.10641	2.3
156.09332	1.8
157.10086	4.9
159.08014	1.0
159.11667	2.4
162.05460	2.3
163.07565	0.6
165.06880	1.5
165.09093	58.6
167.08542	1.7
168.09332	1.4
169.05028	1.1
169.10071	4.7
170.10895	0.8
171.06520	11.8
171.08002	1.7
171.11632	3.1
173.09604	1.2
173.13255	1.8
175.08722	0.7
177.01833	0.8
179.08559	1.4
180.09308	1.3
181.10078	4.0
182.10875	1.9
183.06516	5.6
183.08014	1.0
183.10120	1.5
183.11685	4.3
185.09621	3.2
185.13223	1.3
187.07565	0.7
187.11154	1.1
194.02744	0.8
194.10863	1.1
195.11656	6.1
196.12360	1.1
197.13190	4.4
198.13869	0.8
199.11102	0.7
199.14880	1.3
200.11940	1.2
207.11554	1.6
209.09541	1.0
209.13173	4.7
211.11189	0.9
211.14821	2.4
213.09163	0.8
213.12604	0.6
221.13297	0.7
222.13922	1.0
223.14793	1.5
225.16154	0.9
227.14288	0.8
237.12704	1.2
237.16373	0.8
241.12199	2.0
250.13559	0.6
251.12617	1.2
251.17891	7.1
253.19576	1.6
261.16281	1.0
269.13614	1.3
269.19043	3.6
279.12219	10.0
279.17221	2.9
290.88168	0.6
297.07553	1.3
297.13232	12.3
297.18463	27.6
299.06161	0.8
315.19415	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	297.148
Annotation	CHEBI:70698
Peak:m/z	Relative Intensity
55.01856	1.1
55.05492	1.0
57.07064	1.3
67.05486	1.7
69.07059	1.8
69.95988	1.4
69.96407	3.4
74.45161	0.7
76.99900	0.8
79.05476	2.7
81.07029	2.3
83.04950	1.0
83.32407	0.7
91.05428	1.7
92.78812	0.7
93.07047	1.2
95.04971	2.2
95.08593	2.5
97.88959	0.6
103.05464	1.0
105.07008	21.3
107.04936	47.8
107.08587	1.3
108.05235	1.1
109.10114	1.2
111.04353	0.8
115.05431	1.3
119.08546	0.8
121.06435	0.8
123.04431	1.2
131.08485	0.8
133.06467	100.0
134.06824	2.2
135.11684	1.2
136.06172	4.7
159.08060	2.4
170.15500	1.0
177.09134	4.1
182.15419	0.9
191.10649	3.6
202.68979	0.8
210.14803	1.1
297.22202	1.4
297.25372	0.8
299.06143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23544	0.5
53.03937	1.6
55.01865	1.1
55.05505	20.6
57.03437	1.3
57.07073	1.0
59.20693	0.4
65.03924	0.7
67.05502	7.5
69.03421	1.2
69.07059	4.9
69.80563	2.7
69.80972	0.7
70.06569	1.1
71.04989	2.7
75.02695	0.4
79.05480	4.2
81.07043	13.8
83.04969	100.0
83.08607	3.8
84.05317	0.5
85.06531	1.6
91.05455	3.6
93.07027	5.0
95.04967	1.5
95.08593	13.2
95.09192	0.7
97.06515	1.8
97.10164	1.4
99.04465	0.6
99.13182	0.5
101.06009	2.8
105.07025	4.2
107.04958	3.1
107.08577	2.5
109.06507	1.5
109.10156	4.1
111.04421	0.9
111.08077	1.3
117.01672	0.5
117.06982	0.6
119.08551	3.1
121.02899	0.6
121.06474	2.0
121.10130	1.8
123.04393	0.5
123.08044	1.5
123.11681	1.6
131.04909	6.5
131.08543	1.3
132.09203	0.5
133.06483	1.2
133.10150	2.4
135.08072	1.1
135.11690	1.7
136.06140	1.8
137.09612	2.1
137.13248	1.1
139.07518	0.5
143.08578	0.8
145.02843	3.1
145.06432	0.7
145.10074	1.4
147.08029	0.5
147.11673	0.5
151.07481	2.6
153.06917	0.5
155.08519	0.7
157.10110	1.5
159.11676	1.1
161.13232	4.6
163.07550	0.5
165.05502	0.9
165.09093	0.9
169.10179	0.7
171.11664	0.6
173.09592	0.7
175.07579	0.7
179.14268	1.1
181.10104	0.8
183.07962	0.5
183.11697	0.9
197.13248	0.8
199.14815	0.7
209.13455	0.7
211.07465	0.5
213.12753	0.5
219.13831	1.1
223.07515	0.7
237.09070	0.6
238.09798	0.7
239.06870	0.6
266.09171	0.5
269.11765	0.9
279.10330	0.4
280.26343	3.8
297.07895	0.7
297.11166	7.3
297.20633	18.4
297.25977	1.0
298.21768	0.6
298.27344	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	17.0
66.16576	1.1
67.56406	1.0
70.35110	3.2
70.35511	1.6
71.95245	2.2
89.65982	1.1
94.45190	1.1
98.97569	100.0
116.28501	1.1
116.98603	80.5
130.93274	2.0
134.99635	34.7
140.00201	1.2
153.00703	4.3
158.01277	1.3
172.94333	4.2
177.00941	2.8
190.95303	6.2
208.96442	1.6
209.96748	1.1
214.96024	1.5
219.01953	2.7
232.96428	7.9
234.99686	1.6
235.99605	1.1
250.97533	5.6
256.96329	8.8
261.02997	6.9
274.97452	79.1
292.98523	62.2
293.98682	1.8
297.99124	3.8
299.60849	1.2
316.00275	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	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86774	2.0
56.96558	20.8
57.37520	1.5
61.01158	2.8
70.06602	9.7
70.79047	1.7
71.51576	1.5
71.95271	3.7
75.02684	2.2
79.24609	1.9
80.96088	1.5
83.81749	1.4
94.20523	1.8
98.97569	100.0
108.11047	1.9
116.98607	80.1
124.03964	6.1
130.93272	2.1
131.00223	2.2
133.07674	2.3
134.99646	36.3
136.06165	42.1
148.08719	2.3
149.04453	1.7
153.00697	4.7
163.03903	2.2
166.07246	7.8
166.09717	2.6
172.94373	5.5
190.95372	8.8
193.00226	3.1
193.10843	7.2
208.96501	3.7
214.95338	2.4
232.96461	9.3
239.11311	9.8
250.97534	6.3
251.02441	3.9
256.96420	13.6
274.97473	91.4
292.98529	73.7
293.03647	3.7
297.98987	4.8
298.18726	2.9
300.10818	1.7
316.00113	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	298.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23566	0.2
53.03922	0.3
61.01138	0.5
61.92177	0.2
67.05486	0.3
69.03409	0.6
69.07051	0.3
70.06572	1.0
72.08134	0.3
75.02676	0.3
78.03458	0.3
79.05490	0.7
80.05006	3.4
81.03376	0.3
84.04479	0.3
85.02877	1.0
89.03889	1.8
95.04973	0.3
96.04472	2.6
97.02873	0.8
98.20700	0.9
98.97540	0.4
106.02856	0.3
107.04936	1.1
111.04480	0.4
117.03368	2.1
118.05009	0.6
120.08067	0.5
124.03927	100.0
125.04277	1.2
127.03846	0.3
135.04398	5.4
136.06145	10.5
145.02800	3.3
145.04832	0.3
154.04918	0.3
161.05946	0.4
163.03874	27.0
164.04251	0.7
166.09752	0.6
178.09732	0.4
193.10834	1.3
239.11307	1.9
298.09140	19.8
298.18594	0.4
299.05609	1.3
299.09488	0.8
300.06042	0.8
312.70749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0961
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
54.48724	0.1
57.03418	0.2
57.92858	0.1
59.04545	0.1
61.01143	4.9
69.03424	0.3
69.74017	0.3
69.74428	0.8
75.02691	2.5
84.08125	0.2
94.04024	0.5
97.02882	1.5
103.02150	0.4
115.03899	0.1
119.03510	0.9
123.04405	0.2
124.03904	0.5
133.06413	0.1
136.06161	100.0
137.04668	0.7
137.06561	0.9
145.03140	1.2
147.04330	0.1
163.04219	1.6
173.05910	0.2
203.82509	0.1
239.11377	0.2
298.06445	0.3
298.09650	2.9
299.05704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
55.67474	0.4
56.05022	0.9
57.03434	1.0
57.07075	2.6
58.02949	4.3
60.04526	2.8
67.05495	2.1
69.07060	1.9
70.06624	0.5
71.08627	1.5
72.04507	100.0
73.04826	0.9
74.06078	0.9
79.05468	2.0
81.03410	1.1
81.07043	2.3
82.06567	0.5
83.08618	1.5
85.10160	1.2
87.33218	0.4
88.07641	0.5
91.05488	1.6
93.07038	0.5
94.01379	0.4
95.04956	0.8
95.08577	2.1
97.10172	0.9
105.07047	1.2
107.04924	0.4
107.08596	0.8
108.05220	0.5
109.10166	1.1
119.08569	1.3
121.02879	0.5
133.06482	0.4
133.10139	1.0
136.06183	1.5
159.08086	0.6
161.06010	1.5
161.09586	1.3
195.06624	0.8
229.36594	0.4
242.24745	3.9
252.27020	1.0
253.12239	0.8
263.23709	1.4
269.24738	0.4
280.26242	4.0
281.11801	0.4
281.26770	0.5
298.27307	2.8
299.09436	0.8
299.12848	2.1
299.20273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2736
Annotation	3-ketosphingosine
Peak:m/z	Relative Intensity
55.05498	3.2
56.05016	0.5
57.07052	0.6
65.03899	0.3
67.05488	2.9
68.05009	1.0
69.07055	3.4
70.06579	2.5
79.05476	2.1
80.05001	0.5
81.05777	0.4
81.07051	2.9
82.06562	1.5
83.08607	0.8
84.08130	0.4
91.05457	1.2
93.07030	2.7
94.06554	2.3
95.07320	0.5
95.08587	2.3
96.07500	0.4
96.08113	6.1
98.20682	0.8
100.01231	0.2
105.06993	0.7
107.07373	0.3
107.08569	0.8
108.08094	2.9
109.08862	1.1
109.10128	0.9
110.09653	2.5
119.08563	0.6
121.10112	0.7
122.09647	1.6
123.10477	0.5
124.11217	0.5
133.10065	0.4
134.09648	0.4
135.11661	0.3
145.10139	0.5
147.11667	0.3
197.13177	0.3
199.14864	0.3
205.61613	0.3
222.22038	0.4
240.23180	1.0
260.23703	0.6
262.25275	3.7
278.24811	1.4
280.26309	26.5
281.26556	1.1
298.27359	100.0
299.19946	0.4
299.24036	0.4
299.27649	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	299.0909
Annotation	2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
Peak:m/z	Relative Intensity
55.05424	0.3
55.22750	0.3
67.05406	0.5
68.99705	0.2
69.06995	0.4
69.91007	1.2
79.05370	1.6
81.03307	0.4
81.06927	0.4
87.79839	0.2
91.05344	1.2
93.06934	0.5
95.04836	0.6
95.08485	0.3
97.06366	0.3
105.07028	1.2
107.08508	0.4
119.08454	0.7
121.02769	0.5
121.06419	0.5
126.26604	0.2
128.06125	0.6
129.06871	0.3
131.08424	0.4
133.10091	1.1
137.05836	0.3
137.59064	0.2
139.05313	0.6
140.06104	0.5
141.06941	0.5
143.08450	0.4
143.55360	0.3
145.06372	0.6
147.04237	0.3
149.05826	0.3
152.06071	0.9
153.06848	0.9
153.07948	0.2
155.04926	1.3
155.08455	0.5
157.06361	0.5
157.10013	0.3
159.07938	0.6
161.05981	2.0
161.09612	2.1
165.06880	1.0
167.04897	1.6
168.04486	0.3
168.05661	3.4
169.06427	1.2
170.07132	0.6
171.04387	1.1
171.08031	0.4
172.05054	0.9
172.08827	0.3
173.13158	0.3
175.03760	0.3
175.07478	0.3
180.05632	0.3
181.06335	1.0
182.07234	6.6
183.04391	1.8
183.08026	2.0
183.11725	0.3
184.05026	0.3
185.04367	0.4
185.05923	6.4
186.06711	0.3
187.07379	0.5
193.06477	0.5
195.04362	2.1
195.05965	0.4
195.07974	0.5
196.05118	2.7
197.05894	1.9
197.13112	0.4
198.06754	2.0
199.07492	1.6
200.08205	0.4
201.05438	2.2
207.04381	0.2
207.11635	0.4
208.04973	0.3
209.05922	2.0
210.06712	2.9
211.03812	0.8
211.05684	0.4
211.07500	6.4
212.04541	0.7
212.08124	0.7
213.05428	8.5
214.06033	0.4
215.06970	2.4
218.05667	0.7
221.05884	0.3
222.02924	0.5
223.03839	3.2
224.04614	3.8
225.05426	2.1
225.09004	0.3
225.12775	0.4
226.02548	0.3
226.06200	2.3
227.06985	14.2
228.07774	5.5
235.03851	0.4
235.11130	1.0
236.04796	0.3
237.01749	1.5
237.05414	1.1
238.02463	0.4
238.06133	1.8
239.03265	0.7
239.06975	3.3
240.04082	1.0
241.04926	5.4
241.08461	1.4
242.05620	1.0
243.06444	0.3
251.03351	3.0
252.04134	8.6
253.02335	0.5
253.04919	8.2
253.12155	1.0
254.05676	6.4
255.06490	17.1
256.07242	12.4
257.07626	0.4
266.05756	1.5
267.06470	25.6
268.07025	2.2
269.04404	13.7
269.07495	0.7
270.04858	0.7
271.09662	2.1
281.08096	1.4
281.11597	0.4
283.05914	1.2
284.06732	38.7
285.07086	1.3
299.09094	100.0
300.09479	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	299.091
Annotation	2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
Peak:m/z	Relative Intensity
50.58752	0.6
53.03880	0.7
55.05428	1.9
56.04969	0.6
57.06988	1.8
61.18365	0.6
67.05403	2.7
67.78671	0.6
69.06967	2.7
70.06528	0.8
70.28471	3.2
71.08545	1.5
72.08067	1.2
79.05386	7.0
80.23822	0.7
81.03326	1.4
81.03735	0.7
81.06952	3.5
83.08513	1.9
85.48714	0.7
91.05473	4.8
93.06955	1.0
95.04855	2.4
95.08485	2.5
97.06430	0.9
97.10049	0.8
98.20754	0.8
105.07018	5.3
107.08463	2.1
109.06429	0.7
109.10092	1.4
117.06993	1.0
119.08568	4.2
121.02782	1.9
121.06416	2.0
124.11994	0.7
128.06114	1.3
129.06920	1.2
131.08449	2.5
131.09341	0.6
133.06433	1.3
133.10117	4.6
137.05818	0.9
139.05292	0.6
141.06895	0.8
143.08461	2.8
145.06361	1.4
145.10036	1.4
147.04324	0.9
147.11603	0.8
149.05876	0.7
153.06898	0.6
155.08514	1.2
157.06335	0.8
157.10100	1.1
159.07936	2.7
161.05965	10.2
161.09572	10.4
166.07811	0.7
167.08414	0.8
168.05545	1.0
169.06386	0.9
171.07935	1.1
175.07477	1.4
182.07199	1.3
183.07970	1.0
184.05087	0.8
184.91466	0.6
185.05914	5.7
185.09518	0.9
192.09320	1.6
195.06424	2.0
195.08037	1.0
196.05116	1.3
197.05901	0.8
197.09583	0.9
197.13188	1.0
198.06659	0.7
199.07545	1.0
200.08160	1.2
207.11734	1.6
209.09375	1.0
210.06691	1.7
211.07454	2.6
211.11081	1.6
213.05423	26.3
220.08640	1.1
224.04640	2.7
225.05424	5.7
225.12730	1.6
227.06984	7.3
228.07869	4.2
235.11192	3.0
238.06194	1.7
239.07080	1.6
240.07765	8.2
241.04927	66.4
242.05382	2.5
251.25591	0.8
252.04153	1.1
253.05186	0.8
253.12224	6.1
255.06438	2.6
256.07269	100.0
257.07626	3.2
267.06522	4.0
269.04382	1.7
271.09622	40.0
272.09888	1.2
280.26157	0.8
281.11642	2.9
281.26657	3.3
282.27988	0.9
284.06625	5.7
285.07333	0.9
299.09146	79.7
299.12711	12.1
299.20078	1.5
299.23648	0.9
299.27246	2.9
299.30478	1.2
300.09546	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1272
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
55.05487	0.6
60.31722	0.4
67.05474	1.3
68.12619	0.4
69.07040	1.3
70.86352	1.1
70.86716	0.9
79.05474	4.3
81.03384	1.8
81.07027	1.0
91.05466	2.6
93.07031	0.5
95.01248	0.5
95.04930	1.4
96.61192	0.5
98.21404	0.5
105.07018	3.3
107.08572	1.7
109.06506	0.6
117.06992	0.6
119.08527	2.4
121.02828	1.7
121.06471	0.9
128.06171	1.0
129.06967	0.7
131.08531	1.5
133.10100	2.4
137.05914	1.0
143.08534	2.2
145.06415	0.7
145.10068	0.7
147.04395	1.2
149.05891	0.6
151.07478	0.6
155.08521	0.6
159.08011	1.5
159.11644	0.6
161.05956	6.2
161.09579	6.5
165.06981	1.1
167.08542	0.7
171.07994	0.7
178.07687	0.7
179.08530	0.9
181.06416	2.4
181.10152	0.7
182.07292	1.0
183.08061	1.4
185.05956	0.6
192.09291	1.0
193.06491	0.5
194.07210	0.8
195.06493	1.0
195.08043	2.5
196.08713	0.9
197.09570	0.6
198.06709	1.3
207.11694	1.3
208.08835	0.9
209.05952	2.1
209.09660	1.1
210.06778	3.1
211.07469	2.0
211.11143	1.3
213.09082	4.8
220.08716	0.7
223.07480	1.0
224.08302	4.0
225.09068	15.2
225.12747	1.4
226.06183	5.1
226.09486	0.9
227.06970	0.6
235.11067	2.4
236.08224	1.3
237.05403	4.0
238.06041	0.8
238.09875	1.0
239.06958	0.7
239.10626	2.4
241.08554	26.0
242.09024	0.8
244.78705	0.5
251.06935	0.6
252.07787	4.7
253.08568	15.5
253.12273	3.5
254.05695	1.0
254.09109	1.3
255.10100	1.6
255.13742	0.7
256.07144	0.6
256.10889	1.0
262.07959	0.5
268.10901	33.3
269.05127	1.1
269.08057	22.0
281.11679	1.9
284.10379	35.3
285.10791	1.2
299.12720	100.0
300.13196	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1271
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
51.02376	1.7
53.03918	5.2
54.56927	1.2
55.01851	4.2
55.05477	2.7
65.03910	3.7
66.48017	1.1
67.05493	8.4
69.03420	2.1
69.07060	13.4
69.76977	9.5
69.77323	2.3
72.30553	1.0
79.05476	68.1
79.77190	1.3
81.03403	17.9
81.07052	5.8
83.04944	1.2
91.05460	33.8
93.03397	7.4
93.07030	8.8
95.01281	2.2
95.04953	17.7
97.06510	5.6
98.21354	2.1
103.05453	2.5
105.07007	45.8
107.04929	4.4
107.08571	18.8
109.06510	3.1
111.19551	1.3
112.01108	1.1
115.05438	5.3
117.07002	13.7
119.04905	2.7
119.08551	23.6
121.02848	29.0
121.06478	11.3
123.04382	1.9
123.08037	1.6
125.05949	2.1
128.06204	11.8
129.06982	7.8
131.04881	4.2
131.08524	14.6
133.06522	7.1
133.10095	36.7
134.10439	1.6
135.04407	1.4
135.08014	1.8
137.05959	11.8
141.06970	6.9
142.07706	2.6
143.08539	27.5
144.05663	2.3
145.06454	12.1
145.10072	4.2
147.04382	7.4
147.08018	7.0
148.05128	1.5
149.05930	6.0
151.07510	3.0
152.06219	1.6
153.07054	1.6
154.07753	2.4
155.08528	10.7
156.09286	1.8
157.06471	2.9
157.10074	3.3
159.08005	17.5
161.05952	100.0
161.09584	79.9
165.06946	7.9
166.07759	4.9
167.07231	1.8
167.08510	8.3
168.09302	2.6
169.06483	3.7
169.10092	5.1
171.08060	7.4
173.05870	1.7
173.09505	1.3
175.07516	6.9
177.09064	4.1
178.07750	5.8
179.08521	7.7
181.04669	1.5
181.06482	3.4
181.10059	7.6
182.07208	2.8
182.10812	2.0
183.08023	6.0
183.11629	2.8
183.25386	1.2
185.05983	4.1
185.09532	4.1
187.07481	5.4
187.11157	1.6
191.08517	4.8
192.09293	12.0
192.36731	1.2
193.10094	6.7
194.07307	2.6
194.10881	1.3
195.08031	9.3
196.08795	3.9
197.05933	2.1
197.09584	5.4
197.13239	3.9
198.06754	3.3
199.07503	4.4
199.11151	4.0
202.07707	3.3
203.08606	2.0
203.10384	1.8
204.09334	1.3
205.06546	2.1
206.07153	1.7
207.08139	2.2
207.11656	20.6
208.12196	1.4
209.09650	6.2
209.13257	2.7
210.10342	3.8
211.07536	8.2
211.11136	10.3
212.08202	1.8
213.09116	3.3
213.12747	5.2
217.10139	5.2
219.07988	3.3
220.08775	9.9
221.09528	2.1
222.10550	1.7
225.09032	3.8
225.12698	16.9
227.10732	1.4
235.11143	32.8
237.09055	5.5
237.12669	5.9
238.09859	6.1
239.10564	3.9
239.31693	1.4
253.12177	58.2
255.13724	4.4
257.11649	2.8
263.10571	2.8
271.13184	6.0
281.11685	20.7
283.08975	1.2
284.10312	1.4
299.12723	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2002
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
53.03928	1.8
53.72047	0.8
55.01870	1.1
55.05504	8.7
57.07055	2.7
59.04977	2.2
64.23924	0.9
67.05493	14.2
69.03397	2.5
69.06732	1.0
69.07055	9.1
69.52845	1.2
69.53249	7.5
70.06586	5.4
71.04967	1.7
79.05482	15.5
81.03408	2.3
81.07039	24.1
83.04952	2.5
83.08605	3.3
85.06544	1.4
91.05463	17.0
93.07030	21.3
95.04950	6.1
95.08000	1.8
95.08590	22.6
97.06492	3.0
97.10140	1.9
103.05427	1.7
105.07013	34.7
105.07725	2.0
107.04238	1.4
107.04939	23.4
107.08578	20.8
108.05319	1.0
109.06490	3.1
109.10130	13.9
110.70731	0.8
111.04404	1.1
111.08102	1.3
115.05426	2.3
116.06127	1.0
117.06995	7.8
119.04899	1.5
119.08560	18.4
121.02815	1.1
121.06467	4.1
121.10120	8.9
123.08061	2.1
123.11710	4.7
125.05984	2.2
125.09592	2.7
128.06190	3.5
129.06975	7.1
130.07750	3.5
131.04936	2.0
131.08553	20.0
133.06494	5.8
133.10109	12.5
135.08029	3.0
135.11662	4.3
137.02306	0.9
137.13269	2.2
137.31415	0.8
139.58438	1.1
141.06976	3.3
142.07791	6.2
143.08559	15.8
144.09215	1.6
145.06453	3.7
145.10085	20.7
147.04379	1.4
147.08026	4.1
147.11659	10.6
149.05951	7.1
149.09613	2.1
149.13217	1.4
151.07448	1.6
151.11185	1.6
153.12691	1.1
154.07744	2.0
155.08524	13.1
156.09290	3.8
157.06517	1.1
157.10106	25.2
158.07181	1.0
158.10815	1.2
159.08049	5.5
159.11658	15.5
161.05974	3.8
161.09604	4.2
161.13235	3.3
163.07475	1.5
163.11075	1.3
165.07062	1.6
167.08517	2.9
168.09320	2.9
169.10078	13.3
170.10855	2.4
171.08121	1.1
171.11670	13.3
172.12410	2.5
173.09613	2.6
173.13240	5.9
175.07510	4.0
175.11191	2.8
175.14847	1.3
175.72340	1.0
177.09114	1.1
179.08411	1.7
179.10640	1.1
180.65204	0.8
181.08484	1.1
181.10034	2.4
182.10907	3.6
183.11665	15.4
185.09599	22.3
185.13197	10.1
187.11150	9.2
187.14825	3.1
189.09053	2.0
189.12743	1.6
191.10690	1.3
193.04980	7.9
193.10013	1.0
194.10976	1.1
195.08057	1.2
195.11682	3.0
196.12434	2.6
197.13225	18.7
198.13849	1.4
199.11121	1.8
199.14819	6.5
200.11903	11.0
200.15604	1.7
201.09032	1.2
201.12801	2.0
203.10641	2.4
205.12193	1.9
207.11609	1.4
209.13200	1.5
210.13995	1.3
211.11240	1.7
211.14769	11.2
212.15303	1.4
213.12741	2.3
213.16357	4.9
215.10608	1.4
215.14334	1.4
217.12186	1.8
221.13185	1.1
223.14749	2.2
224.15604	1.8
225.12718	1.9
225.16304	5.3
227.17911	1.2
229.12259	3.0
231.13762	1.8
238.16943	1.3
239.17816	1.7
243.13731	5.5
253.12315	1.6
253.19478	41.7
254.19810	2.3
255.21017	2.5
257.15366	2.5
263.17923	1.4
271.17673	1.2
271.20432	5.0
281.19034	8.5
299.05728	2.0
299.09109	14.8
299.12860	6.5
299.20013	100.0
300.20413	5.8
317.21292	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	299.2365
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
51.02348	0.9
53.03916	1.1
55.01865	1.6
55.05278	0.8
55.05495	6.7
55.35094	0.9
57.07055	1.8
59.04957	0.9
63.08009	0.9
65.03934	1.7
67.05492	16.8
69.03396	2.7
69.07059	9.9
70.06564	2.9
71.04964	2.5
71.40298	1.0
71.69199	1.6
79.05022	1.3
79.05477	25.4
81.03396	6.1
81.07039	37.6
83.04948	2.4
83.08580	3.4
85.02862	1.2
85.06509	2.2
91.05459	24.0
91.06027	1.2
93.03368	1.0
93.07026	26.1
95.04955	6.8
95.08588	21.7
97.06492	4.9
103.05387	1.6
105.07003	38.3
107.04932	16.6
107.08574	27.8
109.06486	2.8
109.10126	13.3
111.04414	1.9
111.08021	1.1
115.05386	2.9
116.06284	1.1
117.06992	11.8
119.07738	1.8
119.08555	28.7
121.02834	5.7
121.06467	3.9
121.10121	17.9
123.04431	1.8
123.07997	2.5
123.11665	4.3
125.06017	1.1
125.09576	4.3
128.06177	3.2
129.06999	9.5
130.07799	1.5
131.04907	2.3
131.07555	1.0
131.08543	20.2
133.06441	2.6
133.10092	25.4
135.08041	2.3
135.11653	11.0
137.05934	3.3
137.09563	2.6
139.11121	1.5
141.06964	3.0
142.07742	4.3
143.08530	19.1
144.09258	2.9
145.06409	3.0
145.10091	28.2
147.04370	1.7
147.07965	2.5
147.11649	26.2
149.05937	2.2
149.09544	2.0
149.13205	4.4
151.07494	1.8
151.11130	3.0
153.03123	0.9
153.12616	0.9
154.07806	1.5
155.08470	7.2
156.09239	2.0
157.10100	16.5
159.08026	5.2
159.11655	35.3
161.05956	19.2
161.09583	16.3
161.13219	14.4
162.06198	1.1
163.03841	1.6
163.14775	1.6
164.93385	0.9
165.06978	2.9
166.07881	0.9
167.08516	4.1
168.09311	1.6
169.10098	6.5
170.10768	1.2
171.07980	2.1
171.11661	14.3
173.09579	1.9
173.13242	15.6
175.07530	1.6
175.11131	1.4
175.14798	5.1
178.07706	1.2
179.08492	2.6
181.10043	2.8
182.10812	1.5
183.08023	1.7
183.11646	6.6
184.12344	1.1
185.09534	1.9
185.13235	16.4
187.07460	1.4
187.14772	5.1
189.12634	4.9
191.08395	1.6
191.14207	1.0
192.09204	2.7
193.04900	3.5
193.10072	2.0
195.06412	1.8
195.08047	1.7
195.11652	2.2
197.09494	1.1
197.13213	5.0
198.13985	1.2
199.14774	16.5
200.15413	2.9
201.16255	3.3
202.07738	1.2
203.14134	1.8
207.07965	1.2
207.11652	3.3
209.09605	2.8
209.13176	1.6
210.13661	1.1
211.07611	1.0
211.11107	2.8
211.14830	6.5
212.64423	1.1
213.12642	1.4
213.16344	15.2
220.08812	1.5
223.14772	1.0
225.12698	3.7
225.16289	6.4
227.17775	1.6
235.11090	6.5
237.09155	1.2
237.16289	1.3
239.14270	1.4
239.17897	4.2
243.17380	1.6
250.09831	1.1
253.12143	9.7
253.19449	10.9
254.20107	2.3
255.21028	37.9
271.13275	1.5
281.11737	7.1
281.19257	1.6
281.22580	19.2
299.05569	2.8
299.09146	10.2
299.12704	22.7
299.19980	16.5
299.23578	100.0
300.09747	1.1
300.13058	2.3
300.23947	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	299.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.6
55.01863	2.9
55.05507	9.8
65.03909	2.2
67.05489	19.9
69.03419	5.0
69.07056	14.1
70.06582	3.2
70.95662	4.6
71.04993	2.3
73.80537	1.3
79.05477	32.2
81.03407	7.7
81.07041	45.3
83.04953	4.7
83.08601	5.2
85.02875	1.7
85.06519	2.1
91.05462	30.2
93.03359	1.6
93.07026	34.9
94.32900	1.4
95.04955	8.3
95.08585	25.1
97.02861	1.7
97.06516	6.3
97.10147	2.6
99.04401	1.6
99.08064	1.3
103.05428	2.5
104.18933	1.2
105.07007	44.3
105.07717	2.2
107.04930	17.5
107.08572	31.1
108.08070	2.0
109.06504	4.4
109.10137	19.6
111.08052	1.9
115.05400	4.0
117.07004	13.9
119.08554	30.5
119.92414	1.5
121.02830	9.6
121.06476	6.8
121.10130	20.7
123.08089	1.8
123.11659	4.0
124.17527	1.5
125.05835	1.6
125.09610	5.2
128.06213	6.0
129.06987	9.2
130.07762	1.5
131.04834	1.7
131.08545	24.0
133.06488	4.4
133.10120	28.5
135.08035	3.6
135.11662	10.7
137.02348	1.7
137.05942	4.3
137.09589	5.7
139.11185	2.0
141.06966	4.9
142.07773	4.6
142.33383	1.5
143.08524	20.6
144.09286	4.2
145.06454	5.2
145.10094	29.8
146.06021	2.1
147.04367	3.0
147.08038	5.0
147.11655	30.5
149.05974	3.4
149.09564	3.3
149.13232	5.6
151.07501	3.7
151.11188	2.5
153.01770	2.7
153.08994	1.8
155.08528	8.7
156.09305	2.4
157.06500	2.0
157.10098	19.7
158.10811	3.6
159.08029	5.9
159.11662	33.9
161.05959	19.9
161.09583	19.0
161.13214	14.1
163.11108	1.9
163.14754	3.0
165.06956	2.3
167.08524	3.4
168.09430	1.7
169.10112	8.5
171.08029	2.5
171.11673	15.4
172.12401	1.8
173.09624	2.5
173.13242	18.8
175.07584	1.9
175.11137	2.7
175.14830	4.9
178.07823	1.8
179.08490	4.3
181.06375	1.9
181.10074	2.6
182.10968	2.2
182.83102	1.6
183.08020	3.3
183.11667	6.7
185.09563	1.7
185.13220	15.6
187.07556	2.5
187.11028	2.0
187.14804	4.2
189.09229	1.4
189.12755	4.8
193.04964	5.8
193.10080	2.3
195.06488	5.0
195.08073	2.3
195.11682	2.3
197.13191	9.2
199.07520	2.3
199.11131	2.4
199.14772	20.1
199.18843	1.9
200.15523	3.7
201.12907	1.8
201.16408	4.2
203.14363	2.0
207.11659	4.9
209.13257	2.9
211.11214	5.6
211.14702	9.0
213.12723	4.7
213.16383	13.4
220.08778	2.3
225.12747	4.4
225.16393	5.2
235.11148	9.5
239.06874	1.9
239.17918	4.7
243.13681	1.7
253.12238	12.1
253.19469	16.1
254.20210	2.5
255.21028	34.7
255.23483	3.0
257.11737	1.9
281.11716	6.4
281.19022	6.1
281.22586	18.3
299.05576	6.0
299.09186	12.1
299.12753	25.5
299.16422	3.6
299.20007	34.0
299.23645	100.0
300.09604	3.0
300.12970	2.9
300.20410	3.0
300.24026	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	300.1072
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
54.77167	1.2
56.05019	1.3
56.96566	5.6
59.04985	2.7
62.35245	1.1
67.05495	1.8
69.03405	1.8
69.07052	1.4
70.06583	8.5
70.62947	3.0
70.63344	2.7
72.08144	2.2
79.05496	1.5
81.03405	1.4
84.08128	3.5
85.02884	2.0
86.09702	1.6
88.02206	2.1
89.03903	2.7
94.06548	3.4
95.04976	1.7
96.04494	2.5
97.02856	2.6
98.97572	1.4
105.06982	2.0
107.04967	1.2
110.06043	3.9
114.05518	2.2
117.03349	2.1
120.05678	1.1
120.08079	2.3
121.06499	2.7
121.08621	3.1
123.04467	1.8
124.03938	12.6
125.04299	1.6
126.16141	1.1
127.03981	1.6
129.10341	1.3
134.02759	1.4
134.99675	1.3
135.04398	4.0
136.06184	3.9
136.07553	1.3
137.05824	1.1
138.05479	100.0
138.09103	3.6
138.25891	1.1
139.03860	5.7
139.05792	1.8
140.06981	1.7
143.00171	2.1
145.02792	2.1
157.09776	1.7
161.01242	3.0
163.03891	13.8
185.09184	1.6
197.76538	1.1
207.51637	1.3
249.02818	1.4
254.12579	1.3
267.03983	1.9
300.06097	4.6
300.10248	2.5
300.14026	1.3
301.06958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43176	1.2
53.03923	1.8
55.01853	1.2
55.05502	12.4
56.05016	9.7
57.03412	2.1
57.07063	17.6
58.02938	3.7
58.06577	2.3
58.22778	1.5
60.04511	21.9
67.05495	9.6
69.03405	1.4
69.07054	17.9
70.02927	1.3
70.06579	9.0
71.08616	9.4
72.04504	100.0
79.05467	7.2
80.04996	6.0
80.05791	1.6
81.03403	2.2
81.07050	12.0
82.02912	2.9
82.06562	6.1
83.01334	1.3
83.04955	3.4
83.08605	11.2
84.04491	26.9
85.02898	10.8
85.10151	4.0
86.06035	3.6
88.03992	2.9
88.07603	3.7
91.05447	2.4
93.07021	3.8
95.04950	2.5
95.08606	12.1
96.04471	2.6
96.86388	1.3
97.06537	1.7
97.10153	12.1
100.03964	1.4
100.07587	2.0
102.05516	4.9
105.06985	2.4
106.06561	6.1
106.07197	1.2
107.08561	4.5
109.10127	5.6
111.04439	1.6
111.11679	6.4
114.09161	8.9
117.06993	1.7
119.08534	2.0
121.10105	2.3
123.11671	1.5
125.13245	3.2
130.08611	1.8
132.10184	22.9
133.10118	3.1
141.06955	1.7
145.10101	2.5
146.11699	2.6
157.10124	1.2
161.05931	3.2
161.09587	1.8
162.06252	2.7
162.09904	1.6
169.06435	1.5
181.06453	2.7
185.87294	1.4
198.09863	1.2
198.22134	15.8
199.20534	5.2
213.08994	1.9
214.06291	1.3
217.04951	3.0
225.05440	4.8
226.06204	4.6
226.09386	1.5
230.81241	1.3
236.11565	1.6
236.20122	1.4
236.23721	1.9
237.21977	7.9
238.21660	10.4
240.07643	1.5
240.23042	1.5
241.08539	4.6
242.05592	4.7
243.06534	3.6
245.04427	1.4
253.04707	3.7
253.21646	1.5
254.05516	1.3
254.12471	3.9
254.24742	12.1
257.07950	6.0
264.23199	29.4
265.23615	1.7
268.06754	3.6
269.08029	8.2
270.05029	2.5
273.03848	2.9
282.24176	11.0
285.07553	8.7
286.04956	1.3
286.08264	4.2
300.09732	12.2
300.13074	5.1
300.21591	19.1
300.25305	17.4
300.28903	94.4
301.03339	4.8
301.06937	5.0
301.10565	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	300.2893
Annotation	Sphingosine
Peak:m/z	Relative Intensity
55.05241	0.4
55.05503	7.0
55.05758	0.4
56.05027	0.7
57.03449	0.8
57.07064	0.5
58.06593	2.6
67.05494	8.4
69.07059	5.3
70.06581	17.1
70.42728	1.2
72.44401	0.3
79.05482	2.4
81.03407	0.3
81.07041	8.8
82.06589	0.3
83.08611	2.1
83.51324	0.3
84.08132	0.5
85.81431	0.3
91.05473	0.8
92.05834	0.3
93.07027	1.9
93.64984	0.3
95.04933	0.5
95.08591	8.4
96.08160	0.4
97.06579	0.3
97.10162	1.2
98.09656	1.3
98.21306	0.4
105.07040	1.1
106.07379	0.5
107.08588	1.3
109.10137	3.5
111.04421	0.3
119.08578	0.8
121.02863	0.4
121.10155	0.5
123.11703	0.7
131.08536	0.5
133.10129	0.6
134.10468	0.3
159.11687	0.5
161.05991	0.4
161.09598	0.3
162.06297	0.6
162.09943	0.6
194.10318	0.3
200.20111	1.0
201.16382	0.6
236.11287	0.4
254.12546	0.6
254.24712	0.4
264.26828	3.1
282.27881	60.2
283.28152	2.0
300.13202	1.3
300.28925	100.0
301.03537	0.7
301.07013	0.9
301.10690	0.5
301.21622	0.8
301.29224	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	300.2893
Annotation	Sphingosine
Peak:m/z	Relative Intensity
51.26007	0.3
52.30124	0.3
55.01862	0.3
55.05505	6.7
56.04766	0.4
56.05028	6.8
57.03423	0.5
57.07066	3.2
58.02938	0.5
60.04519	16.7
67.05497	4.6
68.05000	0.6
69.07057	5.6
70.06580	1.2
70.35751	0.3
70.76320	1.0
71.04984	0.5
71.08605	1.0
72.04504	2.6
74.06068	0.7
79.05094	0.3
79.05489	3.4
79.77405	0.3
81.03374	0.4
81.07047	4.7
82.06564	2.1
83.04941	0.5
83.08611	4.0
84.08112	0.6
85.10158	0.5
86.06051	1.1
88.07592	0.4
89.06008	0.4
90.05557	1.7
91.05450	1.2
93.07024	3.0
95.08604	3.7
96.08105	1.2
97.10132	1.7
100.07619	0.9
105.06984	0.8
107.04922	0.5
107.08581	1.6
109.10117	1.2
111.11742	0.4
119.08563	0.3
121.06490	0.5
121.10119	1.1
123.11713	0.5
124.11121	0.4
125.09605	0.4
125.73763	0.3
131.08517	0.4
133.10127	0.7
135.11739	0.3
139.03773	0.3
151.07497	0.5
161.06000	0.5
162.06281	0.3
162.09941	0.5
212.23663	0.5
217.04944	0.7
224.23613	0.7
226.06247	0.5
227.03526	0.3
238.25230	1.5
241.08548	1.0
245.04324	0.5
252.26866	2.0
257.08090	0.4
259.13272	0.9
264.26831	3.9
269.07980	0.8
273.03891	0.7
282.11942	0.4
282.27878	15.6
283.28287	0.6
286.04828	0.5
286.08023	0.5
300.13016	1.2
300.28928	100.0
301.03674	0.7
301.07025	1.3
301.10519	0.5
301.29297	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	301.0701
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
58.50916	0.2
68.99774	0.4
70.70251	0.6
70.70623	0.5
73.59457	0.2
81.07019	0.5
86.18154	0.2
95.08590	0.5
105.06995	0.4
106.04118	0.3
107.04944	0.3
109.10120	0.4
119.08478	0.4
123.04350	0.4
124.01522	1.6
128.06142	0.2
133.10110	0.4
134.03621	1.7
135.04381	0.3
137.02293	0.8
137.09566	0.4
138.12341	0.2
145.10081	0.4
152.01016	1.0
153.01796	4.0
153.02939	0.5
161.02325	0.3
165.09079	0.5
167.03427	0.5
170.02130	1.3
184.05244	0.3
201.05356	0.3
203.03355	0.4
213.05441	0.7
215.85332	0.3
217.04979	0.6
229.04964	1.8
230.05650	0.4
245.04367	0.8
257.04382	0.6
258.05206	12.8
259.05560	0.6
269.04343	1.3
273.03976	0.3
285.00754	0.3
285.03882	6.3
285.06885	0.6
286.04663	49.9
287.05020	1.7
301.07007	100.0
302.04160	1.5
302.07358	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	301.0702
Annotation	3'-Hydroxymelanettin
Peak:m/z	Relative Intensity
51.02377	0.7
55.01855	0.8
55.05490	2.1
55.93268	0.5
57.03419	0.6
57.07071	0.6
62.97892	0.5
65.03916	0.5
67.05499	4.3
69.03408	2.1
69.07053	3.4
70.06583	1.0
70.87016	1.1
70.87393	1.2
71.04980	1.7
79.05482	3.5
81.03402	1.3
81.07049	7.4
83.04945	1.6
83.08603	1.4
85.06513	0.9
91.05457	4.1
93.07033	6.1
95.04952	2.1
95.08578	5.4
97.06515	1.1
98.97538	0.7
105.07019	7.4
107.04921	1.0
107.08562	4.9
109.06527	1.3
109.10135	4.8
111.04418	0.5
111.08086	0.6
115.05431	2.3
115.08701	0.5
117.06973	1.7
119.08549	5.9
121.06502	2.0
121.10100	4.5
122.41584	0.5
123.08076	0.8
123.11709	1.7
125.09595	0.9
127.11224	0.6
128.06180	4.9
129.06985	2.1
131.04927	1.3
131.08559	2.8
133.06493	0.9
133.10112	3.8
135.04361	0.5
135.08069	1.5
135.11674	1.8
137.02336	0.6
137.09578	1.0
137.13255	0.6
139.03864	1.3
141.06978	4.5
142.07790	1.0
143.08530	2.1
145.06490	0.6
145.10085	6.4
147.08031	1.4
147.11699	2.7
149.09628	1.1
149.13289	0.7
151.03888	1.8
153.01825	1.0
153.06993	0.8
155.04916	0.9
155.08531	0.7
156.05647	2.6
156.09253	0.9
157.06473	7.6
157.10068	3.1
159.04391	5.4
159.08025	1.4
159.11691	3.5
160.05197	1.4
161.05998	0.7
161.09589	2.4
161.13245	1.7
163.11163	1.1
167.04929	0.8
167.08586	0.7
169.06422	1.2
169.10083	0.6
171.04419	0.6
171.07974	0.8
171.11665	2.1
173.09570	1.2
173.13237	2.8
175.11174	1.7
175.14839	0.8
177.12589	0.8
181.06483	1.6
183.04427	2.2
183.11629	1.1
184.05170	13.5
185.05933	5.8
185.13283	1.9
187.03880	11.7
187.11206	0.8
187.14784	1.9
188.04642	4.6
189.12775	0.6
191.14217	0.9
197.05974	1.3
197.13298	0.7
198.03102	3.8
198.06752	1.3
199.14853	2.0
201.05405	0.6
201.12715	0.7
201.16386	2.2
211.03831	1.4
211.14772	0.6
212.04640	18.9
213.05429	17.7
213.07350	1.1
213.08989	0.8
213.12880	0.6
213.16342	2.0
215.03333	4.0
215.06960	1.0
215.14226	1.4
216.04243	2.3
217.04897	2.4
223.14973	0.6
226.06215	3.5
227.03433	1.3
227.06972	3.4
227.11865	0.6
227.14258	0.8
228.04201	0.8
229.04930	5.5
230.05792	1.2
231.13602	0.9
231.17442	0.7
232.78587	0.6
239.21155	0.8
240.04123	17.6
241.04866	8.9
241.08496	4.8
241.15909	0.7
241.19417	0.9
242.09363	1.1
243.02855	17.1
243.06554	1.9
243.17545	0.9
244.03461	0.7
245.04440	1.4
255.06531	2.1
255.11266	1.7
255.21085	2.2
257.04407	1.9
258.05203	31.4
259.05646	1.2
259.10803	1.9
265.19678	0.6
268.03564	0.6
269.07910	4.4
270.08878	2.6
271.05984	1.5
273.04086	3.3
273.07516	38.6
274.07889	0.7
283.06570	0.6
283.10168	1.2
283.17712	0.6
283.20569	3.6
285.03839	0.6
286.04712	4.0
286.08319	2.6
301.03491	7.1
301.07059	100.0
301.10672	17.7
301.21573	13.9
301.24811	1.7
301.29272	0.9
302.07333	3.9
302.10620	0.8
320.52802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.03922	0.3
55.01842	0.4
55.05496	2.2
57.03434	0.4
57.07048	0.5
65.19157	0.3
67.05489	3.7
68.99775	0.5
69.03392	1.0
69.07053	2.4
69.96686	1.8
70.06579	1.7
71.04969	0.7
79.05488	2.4
81.07037	5.7
83.04948	0.8
83.08598	0.7
85.06513	0.4
91.05453	3.6
93.07028	3.9
95.04946	1.0
95.08581	5.0
97.06521	0.7
103.05407	0.5
105.07009	4.6
107.04926	1.0
107.08572	4.2
109.06494	1.0
109.10136	2.5
111.04408	0.4
111.08068	0.5
114.79382	0.3
115.05422	0.5
117.06995	0.7
119.08556	4.4
121.05722	0.3
121.06478	1.9
121.10125	2.3
123.08067	0.6
123.11671	1.0
125.09630	0.4
128.06197	0.5
129.07007	0.5
131.08557	2.0
133.10101	3.6
135.08023	0.9
135.11671	1.3
137.05922	0.6
137.09612	0.8
142.07764	0.5
143.08533	1.3
145.06433	0.4
145.10103	3.2
147.08029	0.7
147.11633	2.0
149.05972	0.4
149.09573	0.5
149.13213	0.5
151.03909	0.5
153.01776	1.7
153.06963	0.5
156.09308	0.6
157.10098	1.4
159.07988	0.4
159.11639	3.3
161.05984	0.7
161.09605	1.4
161.13225	1.0
163.11171	0.8
164.81595	0.3
165.09119	1.2
169.10135	0.5
171.11732	1.6
173.13257	1.7
175.11166	0.5
179.10551	0.3
181.06401	0.5
183.11716	0.6
185.09587	0.4
185.13248	1.5
187.03880	0.4
187.14780	1.1
189.12694	0.7
189.16331	0.5
191.10616	0.4
191.14310	0.7
197.13196	0.5
198.81404	0.4
199.14775	1.0
201.12709	0.7
201.14731	0.4
201.16289	2.1
211.14781	0.4
213.12605	0.4
213.16315	0.8
217.04970	2.0
219.13686	0.5
226.06203	0.6
227.14258	0.5
227.17802	0.4
229.04832	2.1
240.07726	0.4
241.08577	1.3
241.15753	0.5
241.19481	0.8
241.98074	0.4
245.04422	1.8
245.15411	0.4
255.21059	1.9
257.04413	1.2
258.05188	46.0
259.05573	1.7
265.19199	0.5
269.04138	0.4
269.07938	0.5
273.03888	2.1
273.06665	0.3
282.27847	1.6
283.20447	1.7
283.28220	3.3
286.04663	58.3
287.05063	2.6
300.28915	3.6
301.06998	100.0
301.21555	8.6
301.25082	0.6
301.29169	5.8
302.04056	0.7
302.07300	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	301.1068
Annotation	Denthyrsinin
Peak:m/z	Relative Intensity
55.05502	1.2
67.05476	2.0
68.99780	0.9
69.03407	0.5
69.07024	1.0
70.01585	0.5
71.20129	1.1
73.17735	0.4
74.41745	0.5
79.05465	1.7
79.98054	0.4
81.03470	0.5
81.07023	1.9
81.38157	0.5
83.04972	0.8
91.05454	1.5
93.07000	1.9
95.08582	3.4
98.98459	1.4
105.07020	2.5
107.04946	0.6
107.08562	1.7
109.10136	1.6
111.04405	1.1
119.08530	2.1
121.06425	0.9
121.10140	1.5
131.08525	1.1
131.86829	0.4
133.10107	1.0
135.11658	0.8
137.05930	0.7
139.03813	0.7
143.08545	0.7
145.10052	1.4
147.04391	0.7
147.11667	1.0
151.03838	1.0
152.49236	0.5
153.06949	0.9
155.08530	0.7
157.10080	0.6
158.89948	0.6
159.11656	1.2
161.61244	0.5
165.06920	0.7
168.05728	0.8
173.13274	0.9
175.11264	0.7
181.06448	1.6
182.07321	0.7
183.04401	1.8
183.08057	0.9
185.13098	0.5
187.07501	0.7
189.05402	0.7
195.08099	0.8
196.05174	0.5
197.05917	1.4
198.06720	4.2
199.03867	0.7
199.07561	2.3
200.04549	0.5
201.16393	0.5
209.05927	0.5
211.03882	2.3
211.07573	2.6
212.04642	1.2
212.08139	0.8
213.05450	1.7
213.09055	2.1
214.06033	0.7
215.06938	4.8
217.04897	3.1
223.03641	0.6
224.08377	0.7
225.05429	1.7
226.06209	31.9
227.03276	1.6
227.06955	14.4
227.11710	0.8
228.03960	0.6
228.07603	1.0
229.08522	1.3
229.13464	0.6
230.09332	1.5
237.05513	0.6
237.21364	0.5
238.06213	0.9
239.03299	1.5
239.06830	0.6
240.07739	2.3
241.08562	34.9
242.05685	3.5
242.09311	6.9
243.06419	18.1
244.06908	0.5
245.04428	2.4
254.05649	3.7
255.06476	6.2
255.11172	5.0
257.08017	2.0
258.05228	1.6
258.08609	9.3
269.08044	29.7
270.08813	15.0
271.05981	9.5
271.08960	1.3
271.86780	0.5
273.03793	2.3
273.11090	4.4
273.15872	0.7
285.07574	0.9
286.04733	1.5
286.08215	25.9
301.03317	5.5
301.07031	7.9
301.10593	100.0
301.21466	2.9
302.03796	0.6
302.10907	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	301.1066
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.05486	1.1
57.03437	0.7
60.04528	0.4
67.05482	1.4
69.07052	0.7
70.05611	2.5
79.05463	1.3
81.07027	2.0
83.04960	0.6
83.08614	0.6
91.05450	1.9
93.07005	1.7
95.04893	0.5
95.08572	1.6
95.15898	0.5
105.07001	1.4
107.08561	1.9
109.06497	0.7
109.10121	1.0
119.08546	1.6
121.10091	1.2
131.08546	0.8
133.10095	0.9
135.04370	0.6
135.11624	0.9
136.91389	0.5
139.03931	0.5
143.08609	0.5
145.10059	1.1
147.11600	0.6
151.03862	0.8
153.06960	0.8
155.04927	0.6
157.09991	0.5
158.84862	0.4
159.07959	0.6
159.11649	1.0
161.09552	0.5
165.06984	0.8
168.05638	1.2
169.06462	1.2
170.07185	0.8
171.11630	0.5
177.05432	0.6
181.06435	2.1
183.04393	0.8
183.08023	0.6
184.05147	0.5
187.07480	0.9
195.08029	0.5
196.05133	0.6
197.05971	1.9
198.06738	3.8
199.07545	3.2
199.14853	0.9
209.05978	1.2
210.06636	0.6
211.03963	2.9
211.07500	2.9
212.04680	0.8
212.08189	0.9
213.05286	0.8
213.09088	1.8
214.06209	0.6
215.06976	5.1
217.04887	1.4
222.06709	0.5
225.05414	1.6
226.06215	26.1
227.06973	14.2
228.07414	0.7
230.09300	1.0
237.05450	2.4
238.06120	0.6
240.07759	2.0
240.14691	0.5
241.08569	25.8
242.05704	0.9
242.09357	4.5
243.06456	18.8
243.10066	0.8
245.04407	1.8
252.98358	0.5
253.04967	1.4
254.05682	2.3
255.06485	7.0
255.10088	1.9
257.08121	1.4
258.05142	1.3
258.08673	6.2
268.07260	2.1
269.08051	25.3
270.08829	13.9
271.05951	10.6
271.08771	0.4
273.03915	1.4
273.08038	0.5
273.11133	2.8
283.09595	1.0
286.04645	1.5
286.08200	21.4
287.08408	0.7
301.03326	3.2
301.07138	4.0
301.10629	100.0
301.21338	2.9
302.11035	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	301.1065
Annotation	Fimbriol A
Peak:m/z	Relative Intensity
55.01855	1.2
55.05492	2.6
56.05017	1.6
57.03389	1.2
57.07065	3.9
58.42776	1.1
60.04504	2.9
67.05486	5.2
68.99777	1.7
69.07040	2.2
70.06552	2.8
70.14651	4.0
70.15063	2.4
71.08641	1.3
72.04498	6.0
79.05473	3.3
81.07027	5.1
83.08585	2.0
84.04457	1.7
85.02892	2.3
91.05454	3.2
93.07033	3.0
95.04967	1.4
95.08587	5.5
97.10144	1.4
98.21374	1.4
105.07020	3.5
106.06536	1.8
107.06898	1.7
107.08565	4.0
109.06494	1.3
109.10139	2.7
114.09172	2.0
118.40186	1.2
119.08560	2.5
121.10126	3.5
129.06969	1.4
132.10220	3.1
133.10178	3.0
135.11697	1.8
141.06967	4.0
142.07770	1.6
145.10039	2.3
151.07433	1.5
152.06183	4.8
153.06969	10.3
155.04950	2.5
155.08508	1.9
161.05927	1.5
165.06876	3.0
167.04887	1.3
167.08528	2.2
168.05705	4.1
169.06445	9.3
170.07216	3.8
173.13310	1.3
180.05690	6.4
181.06453	32.7
182.07216	4.8
183.04419	6.2
183.07979	2.1
184.05095	3.3
185.06003	2.9
185.09641	2.1
185.13397	1.2
192.05663	1.6
193.06615	1.5
195.04506	1.5
195.08022	9.9
196.05202	6.4
197.05960	13.9
198.06721	28.1
208.05174	9.7
209.05919	15.1
210.06717	15.5
211.03949	6.3
211.07486	11.1
212.04675	2.4
212.08273	3.5
213.09070	26.7
214.09438	1.4
215.06964	2.3
217.04889	6.5
222.03117	1.6
223.07466	13.0
224.08223	1.4
225.05421	21.5
225.08974	2.1
226.06207	78.6
227.06947	5.9
229.05028	1.8
237.05464	6.8
239.03496	1.8
239.06934	2.7
240.07733	8.4
241.08569	59.0
242.08954	2.2
243.06491	26.5
244.06761	3.0
245.04478	4.1
253.04872	8.4
254.05594	9.4
255.06458	5.5
255.25140	2.9
258.05237	3.5
259.09592	3.8
265.23544	6.5
268.07324	6.3
269.08051	100.0
270.08621	9.9
271.05966	24.1
273.03827	4.7
283.09460	6.0
283.20551	1.7
283.24417	2.0
286.04724	5.0
286.08234	39.5
300.28949	5.3
301.03391	8.8
301.07010	18.8
301.10620	64.1
301.21667	3.4
301.25790	1.6
301.29196	15.8
302.07449	1.6
302.10876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1429
Annotation	Stemanthrene C
Peak:m/z	Relative Intensity
51.02362	0.6
53.03932	3.0
54.09084	0.5
55.01851	1.8
55.05491	1.3
55.69929	0.4
57.03420	0.6
65.03938	0.9
65.50565	0.4
67.05494	2.3
68.99760	0.4
69.03427	0.5
69.07050	1.5
70.04971	2.5
70.32297	0.4
71.25600	0.4
75.76685	0.4
77.03906	0.7
77.12762	0.4
79.05476	6.0
81.03390	0.8
81.07044	3.0
83.08601	0.5
91.05460	21.4
93.06428	1.1
93.07025	22.0
95.04953	6.6
95.08582	4.2
103.05448	18.1
105.04491	1.2
105.07005	11.1
107.04234	0.8
107.04928	11.4
107.08570	6.7
109.06490	1.9
109.10135	2.4
111.04396	0.6
115.05405	4.1
117.06998	9.0
119.04867	0.5
119.08553	5.8
120.05725	1.4
121.06480	100.0
121.10091	2.2
122.06800	1.6
123.08005	1.3
125.09629	0.6
128.06244	0.5
129.06998	0.7
131.04883	3.3
131.08549	2.1
133.06454	2.5
133.07414	0.5
133.10085	1.5
134.07227	1.1
135.08026	7.7
135.11656	1.8
137.05942	1.0
139.03870	0.6
139.07483	1.3
139.11153	0.5
143.08574	0.9
145.06453	8.0
145.10063	2.1
146.03688	0.5
147.08028	1.5
147.11655	1.5
148.05139	0.8
149.05959	6.9
149.09586	2.3
149.13240	1.0
150.06702	1.7
151.07516	7.6
152.08257	0.4
153.09093	2.7
157.10109	0.9
159.11641	2.0
160.05194	0.8
161.05949	15.4
161.09584	0.8
161.13190	1.0
162.06558	0.8
163.07510	8.7
164.08322	0.6
165.06987	0.7
165.09090	18.4
167.75061	0.5
171.11571	0.6
173.13206	1.0
175.07515	5.4
175.11269	0.5
177.09038	1.6
179.06897	0.4
179.10649	3.3
181.08560	1.6
185.13251	0.9
191.10500	0.5
191.14336	0.6
193.08601	4.4
199.14766	1.1
201.16283	0.8
207.10129	1.7
209.09457	0.6
209.44640	0.5
217.04947	1.3
223.11137	0.6
225.08879	0.6
241.08430	0.6
241.12125	1.1
245.04359	1.5
253.08296	0.6
255.20908	0.9
257.11768	0.5
269.11612	1.9
271.13275	3.8
273.03860	1.8
283.09595	3.0
283.13187	6.1
283.20456	1.7
286.04733	1.0
301.03616	3.2
301.07013	1.9
301.10880	2.2
301.14261	32.7
301.21536	7.4
302.14603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2155
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
55.05494	6.5
57.07064	11.2
60.04508	7.2
61.25005	1.6
66.43604	1.5
67.05491	13.0
69.03397	2.3
69.07063	7.6
70.06574	18.7
71.04967	2.7
71.08612	4.2
71.41184	3.2
79.05470	7.7
81.07047	12.7
83.04964	2.7
83.08579	3.0
85.06522	1.7
85.10148	2.0
86.06038	1.8
88.07611	19.6
91.05457	14.9
92.90403	1.4
93.07024	14.6
95.04932	8.6
95.08575	14.8
97.06506	3.4
97.10162	1.7
97.44021	1.6
102.09159	5.2
103.05375	1.6
105.07010	21.4
106.08628	7.9
107.08563	20.5
109.06511	13.8
109.10136	11.9
111.08013	2.9
117.06985	6.6
119.08551	24.3
121.06475	5.4
121.10101	13.8
123.08018	3.1
123.11700	4.7
125.09589	2.2
128.06239	2.5
129.07013	3.4
130.07724	2.8
131.08549	23.5
133.10115	17.8
135.08025	8.9
135.11661	6.3
137.09619	1.6
141.06892	1.6
142.07750	2.1
143.08546	10.2
144.09326	3.4
145.10081	22.5
146.07237	1.9
147.07973	2.0
147.11644	7.6
149.13232	3.2
156.09265	1.6
157.10107	7.0
158.10872	6.3
159.07979	2.3
159.11661	7.2
161.09595	24.6
161.13225	1.8
163.11197	2.9
169.10063	1.6
171.08229	1.5
171.11635	5.4
173.09633	2.6
173.13232	40.5
175.14806	5.6
179.08514	2.2
179.37662	1.6
180.09267	2.1
181.10066	1.9
183.11618	2.9
185.09695	2.3
185.13213	5.1
187.14740	2.7
189.12674	3.2
191.14299	8.1
197.13264	1.9
199.14784	5.6
201.12825	1.7
201.16328	2.5
209.13229	6.8
223.14854	2.4
225.16188	1.6
227.14198	4.2
243.17395	2.0
255.21159	2.3
258.05084	2.4
265.19449	2.3
283.20477	5.7
283.28293	8.5
284.29459	7.1
286.04630	2.4
301.03363	3.7
301.06741	3.2
301.21671	17.2
301.29227	11.5
301.32224	1.8
302.30472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2156
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03936	4.0
55.05502	10.9
56.69755	2.1
57.03414	3.2
57.07055	2.1
65.03931	2.7
67.05497	25.7
69.03407	2.4
69.07062	10.4
69.62439	18.3
71.04978	3.3
75.04470	5.0
79.05489	18.9
81.07041	43.0
83.04956	2.5
83.08600	5.4
85.06526	4.6
91.05463	29.2
93.07030	74.3
95.04926	9.5
95.08591	69.8
97.06519	3.7
97.10147	2.4
99.04439	2.6
105.07008	61.4
107.04932	2.4
107.08575	36.6
107.99648	2.0
109.06483	4.1
109.10146	21.5
111.08069	8.9
113.06023	2.9
117.06980	9.4
119.08566	57.4
121.06490	8.8
121.10117	37.0
123.08059	7.5
123.11698	4.5
129.07002	2.9
130.07700	3.9
131.08540	31.1
132.09357	2.2
133.10107	33.0
135.08040	4.5
135.11670	14.7
137.09590	6.2
141.06967	2.1
143.08521	7.9
143.20369	1.9
144.09294	3.3
145.10081	39.7
146.10814	2.6
147.08040	2.6
147.11662	36.3
148.12009	2.5
149.09564	6.1
149.13203	5.0
151.11124	4.1
156.09386	2.1
157.10074	12.1
158.10783	2.2
159.11661	30.5
160.12498	4.4
161.09630	4.2
161.13231	25.8
163.07338	2.1
163.11151	5.7
165.09053	2.0
165.12732	3.0
169.10086	2.9
171.11650	12.9
172.29836	2.0
173.09544	2.4
173.13203	14.1
175.11081	4.0
175.14780	3.6
177.12721	3.3
185.13223	7.7
187.14830	17.0
189.12723	2.8
189.16412	4.6
193.12167	3.7
197.13222	2.9
199.10991	2.2
199.14828	10.7
201.12727	2.6
201.16364	17.7
202.17140	6.9
205.12241	2.3
205.15834	1.9
209.13272	3.5
213.16362	6.5
217.04924	3.4
219.13811	3.1
225.16394	2.9
227.14297	2.9
227.17899	11.7
231.13779	3.0
239.17982	2.6
241.15726	4.0
241.19447	2.8
245.10010	2.2
245.15468	2.4
255.21072	12.2
265.19394	5.0
273.03915	4.0
283.20529	18.7
301.03433	7.8
301.07028	5.8
301.10583	2.0
301.21576	100.0
302.21863	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05500	9.0
57.07069	6.1
58.99555	1.2
61.21809	0.7
61.76230	0.7
62.96362	0.9
67.05492	4.6
69.03407	1.3
69.07043	2.3
69.38969	8.3
70.06548	1.0
71.52637	0.8
73.83096	0.8
76.02208	3.3
79.05464	2.3
81.07040	4.9
83.04981	5.4
85.06529	3.4
91.05453	1.7
93.07019	7.7
94.07359	0.8
95.04938	1.7
95.08596	9.9
96.08921	1.3
97.06511	2.8
105.00059	1.5
105.07008	4.3
107.04945	1.0
107.08575	13.3
109.06488	2.5
109.10123	3.9
111.00743	1.1
111.04426	64.5
111.08028	1.7
113.05983	1.1
117.07001	1.3
119.08598	2.3
121.02848	1.1
121.06489	2.6
121.10120	2.1
122.02700	17.3
123.04366	1.3
123.08051	1.3
123.11649	0.9
125.05965	18.4
127.07518	2.3
133.10126	1.6
135.08034	9.7
135.11661	14.3
137.02299	3.2
137.13231	1.3
139.07527	2.1
145.10120	12.5
146.10426	1.7
147.11632	1.2
153.01787	5.5
153.12714	4.4
154.98798	1.1
161.09543	1.4
162.10007	1.1
163.11150	15.3
165.01787	1.8
174.13614	1.4
181.12206	100.0
182.12566	2.9
182.93658	0.9
189.01398	1.0
201.05432	2.4
229.04895	4.0
235.38075	1.0
257.04453	2.3
284.20831	2.1
285.04034	1.0
302.04019	1.0
302.21930	11.8
303.04944	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
56.05024	3.1
57.03407	0.9
57.07065	3.8
58.06563	0.3
58.40702	0.3
60.04512	24.7
65.03918	0.4
67.05490	3.7
68.05016	4.1
68.99766	0.5
69.03413	1.6
69.07056	4.5
69.96215	1.7
70.06581	2.0
71.04970	0.7
71.08628	2.0
72.04493	3.1
73.02896	0.5
74.06062	0.8
79.05463	0.8
80.04991	0.9
81.06595	0.4
81.07041	3.3
81.75891	0.3
82.06558	1.2
83.04977	0.6
83.08601	2.7
84.04504	0.7
84.08112	0.6
85.10162	0.9
86.06043	0.9
87.04430	0.4
90.05514	1.7
91.05463	0.3
93.07000	1.2
94.06547	7.0
95.04952	0.6
95.08589	3.0
96.08084	0.7
97.10147	1.4
98.06032	1.2
105.06988	0.6
107.08563	0.7
108.08070	0.7
109.06465	0.3
109.10122	1.1
110.09703	0.3
112.07585	0.4
116.07066	0.9
117.25979	0.3
121.02866	0.4
121.10118	0.6
122.09647	0.4
123.04366	0.3
126.09111	0.4
137.02289	1.1
153.01797	1.8
162.11377	0.3
165.01797	0.6
198.22130	6.1
201.05444	0.9
212.23778	0.4
216.95801	0.3
222.22098	0.9
224.23662	2.8
228.04039	0.3
228.23213	1.2
229.04922	1.9
236.23688	9.6
237.24007	0.3
238.25267	1.5
240.23158	1.3
248.23653	4.0
254.24597	0.6
256.26282	0.4
257.04385	1.0
266.24738	6.5
274.04501	0.5
284.25775	19.3
285.03891	0.6
285.26132	1.0
302.04065	0.5
302.26831	100.0
303.04929	16.5
303.27167	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01859	0.6
55.35758	0.2
65.03916	0.7
67.01859	0.5
67.05477	0.6
68.99777	3.1
70.83562	0.5
70.83939	0.4
81.03396	1.1
93.03371	1.0
95.04946	1.4
98.20760	0.2
98.63730	0.2
105.03405	0.3
107.04919	0.3
109.02861	1.3
111.00778	2.7
115.05436	0.6
117.07018	0.4
121.02849	2.7
123.04373	0.9
127.03865	0.8
128.97287	0.2
129.06984	0.3
131.04918	0.5
135.04378	0.7
137.02319	9.2
137.03342	0.6
145.02817	0.4
145.06456	1.0
149.02328	0.9
153.01801	13.7
155.04901	1.8
155.06013	0.3
161.05946	0.9
163.03864	1.6
165.01805	4.7
166.02567	0.7
173.05971	2.1
177.05458	0.3
179.03346	0.4
182.69731	0.2
183.02852	1.6
183.04402	1.4
187.03918	1.4
191.03328	0.5
191.07074	0.3
195.02866	0.6
200.04724	0.2
201.05432	5.8
205.04936	0.5
211.03812	0.5
213.05435	0.4
215.03337	0.4
219.02873	0.5
219.06544	0.6
220.82936	0.2
228.04132	1.0
229.04906	11.3
230.05255	0.4
232.03587	0.4
239.03374	0.4
245.04462	0.4
247.06023	1.3
257.04407	6.4
258.04724	0.4
274.04678	1.7
275.05368	0.3
285.03955	3.0
286.04501	0.3
303.04935	100.0
304.05295	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	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03929	0.4
55.01625	0.1
55.01858	0.9
56.07202	0.1
61.43762	0.1
61.98467	0.1
65.03941	0.8
67.01842	0.4
67.05488	0.7
68.99777	2.4
69.03420	0.3
69.07039	0.3
70.06567	0.4
72.08128	0.2
77.03921	0.2
79.05483	0.4
81.03396	0.9
81.07058	0.2
83.04979	0.2
83.55678	0.1
91.05472	1.0
93.03382	0.8
93.07008	0.3
95.04963	1.2
95.08627	0.2
97.02876	0.3
97.06515	2.8
103.05444	0.2
105.03384	0.5
105.07018	0.6
107.04939	0.5
109.02876	1.0
110.03675	0.2
111.00781	1.9
111.04416	0.3
112.11176	0.2
115.05437	0.3
117.06970	0.4
119.04902	0.8
121.02844	2.4
123.04408	5.4
127.03885	1.2
128.06198	0.3
129.06946	0.3
131.04903	0.5
133.06485	0.4
135.04381	1.0
137.02325	9.2
137.03409	0.6
137.05875	0.3
139.03873	1.9
141.06932	0.2
143.04890	0.5
143.08530	0.3
145.02843	0.3
145.06496	1.2
145.10083	0.3
147.04379	2.6
147.07986	0.2
149.02328	1.0
149.05930	0.2
151.03880	8.7
153.01802	10.1
153.05421	0.2
154.02109	0.2
155.04915	1.3
155.06021	0.3
155.08559	0.3
157.06462	0.3
157.10187	0.4
159.04391	0.5
159.08025	0.3
161.05969	1.3
162.05420	0.2
163.03882	1.9
165.01816	3.8
165.05447	1.1
166.02556	0.5
169.10146	0.2
171.02861	0.3
173.05952	2.2
175.03772	0.2
177.01866	0.2
177.05496	0.6
179.03336	0.5
181.04918	0.9
183.02864	1.4
183.04405	0.8
185.05948	0.1
187.03900	1.2
189.05418	0.2
191.03435	0.4
193.04944	0.5
195.02927	0.4
201.05455	4.3
201.07335	0.3
203.03206	0.2
205.04999	0.4
207.06480	0.5
211.03854	0.3
211.10991	0.2
213.05421	0.4
213.12764	0.2
215.03377	0.5
217.04929	0.2
217.08836	0.2
219.02957	0.3
219.06506	0.4
228.04126	0.8
229.04916	9.3
230.05219	0.4
236.29718	0.2
239.03355	0.4
241.15773	0.2
243.02867	0.3
243.11201	0.2
245.04437	0.3
247.05960	1.2
257.04391	4.9
258.04727	0.2
259.06070	0.2
273.14810	0.3
274.04657	1.2
275.05353	0.5
285.03952	2.4
285.07538	0.4
285.12149	0.3
285.14917	0.5
286.04532	0.2
303.04953	100.0
303.16013	1.3
304.05307	4.1
304.08676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01847	0.3
67.01857	0.4
67.05478	0.4
68.59724	0.2
68.99783	2.3
69.03421	0.3
69.49026	2.6
70.92596	0.3
77.32667	0.2
78.74520	0.2
80.18469	0.3
81.03390	0.6
82.14600	0.2
86.10587	0.2
93.03398	0.5
95.04929	0.9
97.09774	0.3
98.20662	0.5
109.02881	1.4
111.00781	1.7
117.07046	0.4
121.02839	1.8
123.04409	0.5
127.03890	0.6
128.06187	0.3
129.06888	0.3
131.04897	0.6
133.02872	0.3
135.04326	0.6
137.02322	7.7
145.02809	0.3
145.06471	0.6
149.02332	0.4
150.35588	0.3
151.03883	0.3
153.01801	8.9
155.04846	1.3
161.05968	0.7
163.03844	0.9
165.01813	3.8
166.02646	0.3
173.05937	1.5
183.02850	1.0
183.04405	1.0
187.03886	0.7
195.02882	0.4
198.37811	0.3
201.05463	4.1
211.03844	0.4
215.03352	0.4
219.06525	0.5
228.04128	0.6
229.04912	8.6
230.05391	0.4
232.03545	0.3
239.03517	0.4
247.05956	1.1
257.04413	5.4
274.04599	1.0
285.04034	1.8
285.06717	0.4
303.04938	100.0
304.05243	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.2
65.03926	0.5
67.01830	0.3
68.37315	0.2
68.99769	1.9
69.03414	0.2
69.57854	0.3
69.58263	1.4
69.88376	0.2
79.56048	0.2
81.03396	0.7
91.05482	0.2
93.03380	0.5
95.04952	1.0
98.21426	0.3
107.04932	0.3
109.02896	0.9
110.03657	0.2
111.00764	1.7
117.06958	0.2
121.02826	1.9
121.04353	0.2
123.04418	0.4
127.03886	0.5
135.04387	0.3
137.02315	6.7
145.06433	0.7
149.02342	0.6
153.01802	8.4
155.04890	0.9
159.04381	0.3
161.05968	0.7
163.03889	1.0
165.01808	3.8
166.02493	0.4
173.05989	1.3
174.54361	0.2
177.01816	0.3
179.03307	0.4
183.02863	1.4
183.04410	0.7
187.03877	0.7
195.02849	0.4
201.05426	3.9
205.04945	0.3
207.02936	0.3
211.03802	0.4
219.02953	0.2
219.06538	0.4
228.04192	0.5
229.04915	8.0
239.03427	0.3
245.04370	0.2
247.05952	0.9
257.04401	5.4
258.04681	0.2
274.04666	1.4
275.05310	0.5
285.03897	2.3
302.04202	0.3
303.04935	100.0
304.05301	3.4
312.12289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0491
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.95682	0.1
53.03919	0.3
55.01854	0.5
65.03913	0.7
67.01839	0.6
67.05472	0.4
68.99774	3.3
69.03385	0.3
70.25304	0.7
71.01299	0.2
81.03394	0.9
91.05441	0.3
93.03360	0.8
95.04949	1.1
97.02854	0.2
98.21357	0.2
103.05470	0.2
105.03399	0.2
107.01303	0.2
107.04932	0.4
109.02854	1.5
110.03649	0.3
111.00774	2.3
115.05399	0.2
117.06969	0.6
117.25261	0.1
119.04932	0.2
121.02042	0.2
121.02847	2.7
121.06422	0.2
123.04404	0.9
127.03902	0.8
129.06946	0.2
131.04903	0.7
133.02800	0.2
133.06410	0.2
135.04356	0.6
137.02313	9.8
137.03325	0.4
143.04999	0.1
145.02831	0.3
145.06483	1.3
149.02325	1.1
153.01796	13.4
154.02071	0.2
155.04880	1.5
155.06024	0.3
157.06374	0.3
159.04358	0.4
161.05901	0.8
161.44310	0.1
163.03886	1.6
165.01805	4.7
166.02599	0.7
173.02258	0.2
173.05960	1.9
177.01730	0.2
177.05363	0.4
179.03345	0.6
183.02832	1.8
183.04401	1.5
184.05141	0.2
187.03880	1.2
191.03346	0.6
191.07066	0.3
195.02841	0.6
200.04645	0.2
201.05421	5.6
205.04951	0.6
207.02928	0.3
211.03867	0.7
213.05492	0.3
215.03378	0.3
217.05032	0.2
219.02834	0.4
219.06459	0.8
228.04071	0.8
229.04910	12.5
232.03577	0.4
233.04407	0.2
239.03403	0.5
245.04546	0.3
246.05136	0.3
247.06027	1.4
257.04398	6.5
258.05148	0.2
274.04694	2.0
275.05417	0.5
285.03891	3.2
303.04922	100.0
304.05231	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03923	0.2
55.01850	0.4
65.03922	0.6
67.01855	0.4
67.05479	0.3
68.99780	2.6
69.03407	0.3
69.60131	1.0
73.79803	0.1
79.05476	0.2
81.03405	0.6
81.07052	0.3
86.89248	0.1
91.05444	0.3
93.03370	0.9
93.07035	0.3
95.04953	1.0
95.08607	0.2
98.21424	0.3
102.63605	0.1
105.03375	0.2
105.06995	0.3
107.04944	0.2
107.08545	0.2
109.02879	1.4
109.10139	0.2
109.63924	0.1
110.03711	0.2
111.00797	2.1
111.04394	0.2
112.30832	0.1
115.05435	0.3
117.07018	0.3
119.04961	0.1
119.08597	0.3
121.02841	2.2
121.03660	0.2
121.10128	0.1
123.04439	0.9
123.11687	0.2
127.03915	0.6
129.06981	0.2
131.04892	0.5
133.02849	0.2
135.04376	0.4
135.11708	0.1
137.02325	7.4
137.03409	0.4
138.02654	0.2
138.05447	0.2
138.09085	0.2
145.02814	0.2
145.06474	0.8
145.10046	0.1
147.04347	0.2
147.08012	0.1
147.11684	0.1
148.76384	0.1
149.02319	0.9
151.03859	0.2
153.01802	10.8
154.02103	0.2
155.04895	0.9
155.06017	0.2
157.06464	0.4
158.72128	0.1
159.04387	0.3
161.05952	0.7
163.03883	1.6
165.01814	4.3
166.02554	0.5
166.04979	0.6
166.33286	0.1
167.03354	0.2
171.03015	0.2
173.05954	1.6
177.01688	0.2
177.05426	0.4
179.03404	0.4
183.02872	1.6
183.04419	1.0
187.03874	1.0
191.03349	0.4
191.06920	0.1
193.58481	0.1
195.02878	0.5
200.96565	0.1
201.05435	4.6
205.04948	0.5
207.02875	0.2
211.03802	0.3
213.05507	0.3
215.03368	0.1
219.02873	0.3
219.06494	0.6
228.04086	0.7
229.04929	9.5
230.05247	0.5
232.03624	0.3
239.03363	0.4
243.02539	0.1
247.05962	1.6
257.04398	5.5
257.12766	0.2
258.04883	0.3
274.04749	1.6
275.05417	0.3
285.00824	0.1
285.03900	2.5
285.12405	0.3
286.04327	0.2
303.04947	100.0
304.05292	3.7
314.71005	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	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01851	0.3
65.03915	0.5
65.54901	0.2
67.01835	0.5
68.99776	2.2
69.43793	0.8
69.44221	0.9
81.03392	0.6
91.05441	0.2
93.03368	0.6
95.04935	0.9
98.21468	0.4
99.88264	0.2
103.11680	0.2
105.03413	0.2
107.04882	0.2
109.02863	1.3
110.03699	0.2
111.00780	2.0
115.05376	0.2
117.07030	0.3
120.34847	0.2
121.02850	2.0
123.04401	0.4
127.03902	0.5
127.05386	0.2
131.04921	0.4
133.02856	0.3
133.06483	0.3
135.04373	0.6
137.02315	6.9
137.03355	0.2
145.06459	0.7
149.02336	0.9
153.01796	9.1
155.04900	1.0
155.06003	0.2
159.04468	0.2
161.05971	0.5
163.03879	1.0
163.30908	0.2
165.01814	4.1
166.02510	0.4
173.05957	1.6
179.03401	0.4
183.02841	1.9
183.04404	0.6
184.05197	0.2
187.03889	1.1
195.02834	0.3
201.05417	3.9
205.04831	0.4
207.02831	0.2
211.03967	0.3
213.05428	0.2
219.02789	0.3
219.06561	0.5
228.04173	0.7
229.04924	9.0
230.05220	0.2
239.03476	0.3
245.04494	0.3
247.05969	1.3
257.04413	4.9
258.04926	0.2
274.04651	1.2
275.05246	0.4
285.03940	2.4
286.04376	0.3
303.04932	100.0
304.05280	2.4
318.27231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.02240	0.1
53.03931	0.2
55.01849	0.4
62.01444	0.1
65.03922	0.7
67.01837	0.5
67.05471	0.4
68.99772	2.9
69.03400	0.2
70.95514	0.3
76.38056	0.1
81.03403	0.9
81.07053	0.1
84.39082	0.1
89.03894	0.1
91.05464	0.3
91.79332	0.1
93.03371	0.9
93.07033	0.2
95.04942	1.0
95.08563	0.1
97.93484	0.1
102.02327	0.1
103.05428	0.1
105.03335	0.2
105.06979	0.2
107.04922	0.3
109.02859	1.4
109.10057	0.1
111.00100	0.1
111.00783	1.9
111.04398	0.2
115.05400	0.3
116.07761	0.1
117.03300	0.2
117.06982	0.5
119.08615	0.2
121.02833	2.4
123.04387	0.9
127.03870	0.5
129.06943	0.2
131.04884	0.4
133.02823	0.4
133.10077	0.2
135.04393	0.6
137.02309	8.6
137.03317	0.3
145.02794	0.3
145.06424	1.0
149.02316	1.1
151.03868	0.2
153.01794	12.7
154.02103	0.3
155.04881	1.1
155.06006	0.2
157.06458	0.1
159.04355	0.3
161.05972	0.7
163.03882	1.5
165.01801	4.4
166.02596	0.7
171.02808	0.2
173.05957	1.9
177.01825	0.3
177.05429	0.5
179.03333	0.5
183.02829	1.6
183.04395	0.9
187.03851	1.0
191.03380	0.4
191.07042	0.2
195.02760	0.6
200.04572	0.1
201.05428	4.8
202.05768	0.2
205.04878	0.5
207.02972	0.3
211.03870	0.3
213.05478	0.3
215.03346	0.2
217.04831	0.1
219.02835	0.2
219.06490	0.6
228.04219	0.7
229.04912	10.2
230.05254	0.4
239.03328	0.4
245.04379	0.2
246.05254	0.2
247.05971	1.7
257.04398	5.8
258.04932	0.5
274.04675	1.6
275.05328	0.6
285.03903	2.6
286.04623	0.2
303.04926	100.0
304.05270	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	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01851	0.7
65.03921	0.9
67.01842	0.7
67.05483	0.5
68.99773	2.6
69.03397	0.4
69.87476	1.2
81.03419	1.1
91.05450	0.6
93.03387	0.8
95.01288	0.2
95.04961	1.3
97.02879	0.3
100.17561	0.2
103.05438	0.2
105.03369	0.3
105.06982	0.2
107.04930	0.3
109.02866	1.5
111.00780	2.5
111.04404	0.4
115.05441	0.3
117.06966	0.4
119.04916	0.8
121.02843	2.8
123.04409	3.3
125.02286	0.2
127.03873	0.7
129.06964	0.3
131.04884	0.5
133.06480	0.2
135.04376	0.7
137.02315	9.3
137.03339	0.4
137.05908	0.4
139.03864	1.2
143.04929	0.3
144.13834	0.4
145.02760	0.7
145.03833	0.2
145.06448	1.3
147.04395	2.3
149.02310	0.8
151.03865	3.6
153.01797	15.0
154.02112	0.2
155.04900	1.4
159.04391	0.4
161.05962	1.0
162.05428	0.7
163.03848	2.1
165.01823	4.4
165.05486	0.3
166.02560	0.6
171.02875	0.7
171.04308	0.2
173.05930	2.0
175.03894	0.2
177.01880	0.4
177.05400	1.2
179.03325	0.6
181.04916	0.2
183.02861	2.0
183.04413	1.1
183.46573	0.2
187.03891	1.4
189.05515	0.3
191.03387	0.5
191.07100	0.2
193.04866	0.3
195.02831	0.6
196.09816	0.3
201.05432	5.3
205.04926	0.5
207.02808	0.3
211.03857	0.4
213.05482	0.5
215.03342	0.4
217.04926	0.3
219.02873	0.4
219.06529	0.5
228.04158	0.8
229.04913	11.6
230.05315	0.5
232.03558	0.3
235.05957	0.7
239.03505	0.4
239.11813	0.3
245.04353	0.4
247.05977	1.6
257.04407	6.6
267.06390	0.4
268.68484	0.2
274.04651	1.7
275.05447	0.4
285.03897	2.3
285.07056	0.3
285.12170	1.4
303.04941	100.0
304.05237	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	303.0855
Annotation	Disporopsin
Peak:m/z	Relative Intensity
53.03918	1.0
53.48801	0.4
55.01841	0.7
55.05503	4.8
56.29365	0.4
57.07041	0.7
65.03903	1.4
65.69614	0.4
67.01500	0.5
67.01854	9.3
67.05495	2.9
68.99776	6.5
69.03418	2.6
69.07062	2.4
71.04958	1.6
71.70044	0.4
79.01794	0.6
79.05489	2.6
81.03398	2.3
81.07040	4.9
82.06544	0.5
83.01308	0.8
83.04943	1.3
83.08578	1.6
89.03868	1.3
91.05450	2.8
93.03371	1.0
93.07044	4.1
95.04941	3.0
95.08579	4.6
97.02884	0.9
97.06502	1.0
100.07656	0.4
100.10616	0.7
100.11230	7.6
101.11575	0.9
105.06995	4.7
107.04908	0.8
107.08582	4.6
109.02825	1.3
109.06493	1.0
109.10163	2.8
110.06023	1.2
111.00810	2.1
111.04377	2.2
111.08119	0.6
117.03342	2.6
117.06994	1.0
119.04939	1.0
119.08546	3.9
121.02863	2.4
121.06465	1.4
121.10121	4.0
123.04385	1.6
123.08014	1.2
123.11674	1.2
125.02336	1.2
125.05921	0.6
125.09624	1.1
127.03899	1.4
127.11171	0.9
129.01820	1.1
129.06975	0.9
131.04893	0.6
131.08560	1.5
133.06503	0.5
133.10100	4.4
134.03656	0.5
135.04422	0.6
135.08008	1.2
135.11659	3.0
137.02330	7.0
137.03363	0.7
137.05901	2.2
137.09561	1.2
138.09143	0.6
139.03914	0.5
139.11185	0.5
141.11467	1.2
142.07744	0.7
143.08519	1.1
145.02835	6.4
145.06401	0.5
145.10104	2.8
147.04448	0.5
147.11646	2.6
148.47333	0.4
149.02312	1.0
149.05957	1.4
149.09583	1.3
149.13219	1.1
151.03882	1.5
151.07515	4.2
151.11148	0.9
153.01797	61.7
154.02177	0.9
155.04906	1.4
157.10141	1.4
159.11649	2.0
161.05937	0.8
161.09647	0.8
161.13174	1.0
163.03914	1.4
163.11111	1.0
163.64285	0.5
165.01834	4.1
166.02660	0.8
171.02853	37.6
171.11676	1.0
173.05972	1.8
173.09528	0.6
173.13269	1.3
175.11049	2.2
175.14796	0.6
177.05428	9.8
179.03343	4.6
182.15353	2.5
183.02829	1.5
183.04329	1.0
187.03896	1.0
187.11186	0.6
187.14801	1.3
189.12677	0.7
189.16429	0.5
199.14787	1.6
199.17958	0.9
201.05470	5.0
201.16417	1.0
203.17888	0.5
204.66495	0.7
205.05238	0.4
209.16527	0.7
210.14900	1.4
211.03831	0.7
211.15022	0.5
212.56612	0.5
212.98148	0.5
213.17850	0.6
215.03258	0.5
215.17926	0.6
217.15892	0.9
218.66202	0.7
219.02744	0.5
219.06407	0.7
227.17621	1.4
228.04179	0.6
229.04930	9.6
229.15883	0.6
243.11446	0.7
247.05988	1.2
257.04367	4.6
267.21066	0.7
274.04782	1.6
275.05347	0.6
285.03961	2.6
285.07413	0.9
285.12241	1.0
285.18896	0.4
285.22110	2.0
303.05005	100.0
303.08588	16.7
303.23129	9.4
304.05374	4.2
304.08722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Disporopsin
Peak:m/z	Relative Intensity
53.03934	0.6
55.01862	0.8
55.05488	0.5
65.03930	1.0
66.82889	0.3
67.01498	0.4
67.01856	7.4
67.05484	1.7
68.99778	5.1
69.03424	1.8
69.03722	0.3
69.07051	0.7
70.24578	0.7
71.04959	0.6
75.05276	0.3
79.05473	0.8
80.94985	0.3
81.03412	1.6
81.07046	2.2
83.01324	0.4
83.04916	0.3
83.08586	0.5
83.75030	0.3
85.02873	0.5
88.77888	0.3
89.03898	3.9
90.72488	0.3
91.05477	1.8
93.03410	1.4
93.07050	1.8
95.04951	2.0
95.08602	1.7
97.02874	1.4
97.06543	0.5
98.20702	0.4
103.05456	0.4
105.07005	2.2
107.04932	0.6
107.08573	2.3
109.02836	1.2
109.10132	1.5
110.03618	0.5
111.00784	3.0
111.04414	1.0
117.03358	10.9
117.04184	0.7
117.06998	0.7
119.04915	0.8
119.08521	1.4
121.02857	2.8
121.06483	1.0
121.10123	1.4
123.04404	1.8
123.11675	0.8
125.02341	1.0
125.05950	1.0
127.03861	0.8
127.11189	0.4
128.06229	0.4
129.07007	0.5
131.04916	0.6
131.08539	0.8
133.06456	0.5
133.10143	1.7
134.03600	1.2
135.04387	2.3
135.08003	0.3
135.11673	1.0
136.05151	0.4
137.02330	7.9
137.03345	0.4
137.05949	3.3
137.09645	0.4
139.03891	0.4
143.08524	0.7
145.02821	22.2
145.06485	1.0
145.10100	1.0
146.03134	0.6
147.04385	0.7
147.11682	1.0
149.02303	0.8
149.05937	3.1
149.13229	0.4
151.03864	2.0
151.07549	2.2
153.01802	90.7
154.02142	2.0
155.04887	1.0
157.10071	0.4
159.11694	1.0
161.05937	0.8
161.09689	0.4
162.03075	0.4
163.03856	2.6
163.11197	0.7
165.01825	3.8
166.02579	0.6
167.03311	0.4
169.10120	0.5
171.02858	23.1
171.11674	0.7
173.05981	1.6
173.13313	0.6
175.14745	0.5
177.05438	31.0
178.05783	0.7
179.03363	7.1
183.02856	1.7
183.04420	1.0
185.13132	0.4
186.05417	0.4
187.03862	1.1
187.11272	0.4
187.14787	0.5
191.03360	0.4
195.02997	0.7
199.14836	0.8
201.05460	4.8
201.16377	0.6
211.03831	0.3
211.14845	0.4
213.05495	0.4
217.04910	0.4
217.15752	0.4
218.05264	0.5
219.06487	1.0
228.04076	0.7
229.04910	10.2
230.05174	0.5
232.19870	0.3
243.02708	0.3
246.04793	0.4
247.05957	1.4
257.04419	5.1
257.22498	0.4
258.04703	0.3
261.07471	0.5
267.21112	0.5
274.04620	1.6
275.05283	0.9
285.03925	2.2
285.07513	0.8
285.12289	0.5
285.22107	1.1
286.04538	0.4
303.04932	100.0
303.08588	43.7
303.23010	4.1
304.05258	4.8
304.08936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0858
Annotation	Disporopsin
Peak:m/z	Relative Intensity
51.60114	0.3
53.03920	0.6
55.01852	1.4
55.05507	1.7
55.88426	0.3
57.07069	0.6
59.35884	0.3
61.18773	0.3
63.02341	0.4
65.03912	1.3
67.01847	4.4
67.05488	3.8
68.99777	4.9
69.03415	3.0
69.03757	0.5
69.07048	3.6
70.94720	0.8
70.95092	0.6
71.04980	0.6
71.08609	0.4
79.05483	2.3
81.03381	1.1
81.07037	7.3
83.01315	0.4
83.04964	1.0
83.08592	1.2
85.02908	0.8
89.03896	5.0
90.13498	0.3
91.05463	2.6
93.03372	1.0
93.07018	5.0
95.04939	2.0
95.08588	5.6
97.02852	1.7
97.06499	1.2
103.05434	0.9
105.03341	0.5
105.04472	0.4
105.07003	5.1
107.04944	1.0
107.07906	0.5
107.08571	4.9
108.00243	0.4
109.02859	1.7
109.06483	1.6
109.10129	4.5
109.84068	0.4
111.00768	2.0
111.04417	1.9
111.11660	0.4
117.03349	14.5
117.04186	0.7
117.07005	1.3
119.04888	0.9
119.08547	3.8
121.02826	2.6
121.06458	0.9
121.10115	4.6
123.04407	2.6
123.08003	1.4
123.11651	1.8
125.05989	1.2
127.03922	0.8
129.01918	0.4
131.04919	0.9
131.08522	1.2
133.10091	3.4
134.03572	1.3
135.04408	2.0
135.08029	1.2
135.11670	2.1
137.02310	8.9
137.05933	3.9
137.09581	0.9
138.09126	0.8
139.11128	0.6
143.08575	0.6
145.02814	25.8
145.06464	1.3
145.10086	2.3
146.03128	0.5
147.08017	0.7
147.11664	2.6
149.02354	0.7
149.05954	5.2
149.09586	0.9
149.13168	1.1
151.03842	2.3
151.07483	2.4
151.11119	1.0
153.01790	99.5
154.02090	1.0
155.04903	1.3
155.08482	0.4
157.06516	0.5
157.10115	0.4
159.08020	0.4
159.11649	1.8
161.05954	1.1
161.09598	1.1
161.13226	1.3
162.03000	0.5
163.03860	3.6
163.07524	0.4
163.11197	1.0
163.14809	0.8
164.06995	0.4
165.01790	4.1
165.09067	0.4
165.12798	0.6
166.02579	0.7
166.08569	0.8
169.10002	0.5
171.02847	14.5
172.12215	0.3
173.05930	1.8
173.09573	0.6
173.13214	1.0
175.11179	1.0
175.14793	0.7
177.05432	40.1
177.16347	0.6
178.05811	0.5
179.03331	7.3
179.10480	0.4
183.02852	2.3
183.04385	0.9
185.13243	0.6
186.05492	0.8
187.03830	1.1
187.11090	0.5
187.14726	0.7
189.16405	0.6
191.07036	0.6
191.10591	0.7
193.12144	0.5
193.15904	0.5
199.14745	0.8
201.05414	4.8
201.16376	1.3
203.17950	0.6
205.04866	0.4
211.03827	0.4
211.14807	0.7
213.05453	0.5
215.07085	0.4
215.14238	0.6
219.03033	0.5
219.06494	1.4
228.04115	0.7
229.04912	9.8
229.15733	0.4
232.03798	0.4
239.03378	0.6
243.17390	0.6
247.06053	1.7
247.16890	0.6
257.04407	5.3
257.22473	0.7
260.05804	0.6
261.07635	0.4
267.21066	0.5
268.79614	0.4
274.04678	1.6
275.05237	0.4
285.03851	2.1
285.07251	0.6
285.18723	0.6
285.22092	1.7
287.05576	0.5
288.05225	0.7
303.04910	100.0
303.08554	51.2
303.23038	6.4
304.05283	4.1
304.08932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
53.81997	0.4
55.01859	0.5
55.05485	0.6
56.05019	0.8
56.96286	0.5
56.96545	2.9
57.03439	0.7
61.02899	0.8
64.54993	0.4
67.05481	0.6
67.29352	0.4
68.04986	0.6
68.99770	0.6
69.03423	2.6
69.07053	0.8
70.06580	2.4
70.13103	0.8
70.13503	2.3
72.08134	0.6
73.02892	0.7
74.28381	0.4
79.05481	5.2
80.05002	1.1
81.03395	1.3
81.05780	3.3
81.07040	5.4
82.06569	1.0
83.04958	1.3
84.04469	0.6
84.08128	0.9
85.02888	6.4
86.06056	1.1
86.09702	3.3
87.04479	0.5
91.05466	0.7
93.03448	0.5
94.06548	0.6
95.04955	1.4
96.04462	2.2
96.08104	8.7
97.02882	3.1
98.20746	0.6
98.97578	2.1
99.04419	0.5
106.06531	0.9
106.54471	0.6
107.04951	0.6
109.02853	2.1
109.05273	1.1
110.06018	0.7
110.07143	0.6
112.07552	1.3
114.05523	1.5
116.98588	1.5
121.02830	0.6
121.34058	0.4
122.05981	0.6
123.04408	6.5
124.07568	100.0
125.07926	1.1
127.03894	5.6
133.02815	1.3
134.21391	0.4
134.99619	0.8
135.04399	1.4
137.02283	0.6
139.03870	8.0
140.07008	0.9
142.04898	0.9
142.07501	0.9
142.08612	18.0
143.11800	0.9
146.99657	0.9
147.04404	1.2
149.01234	0.6
149.02339	1.8
151.03860	7.5
152.06999	0.5
153.01810	1.6
153.05449	1.1
155.03342	3.8
155.04459	0.5
157.09784	0.5
161.04538	0.5
163.03932	1.8
164.07062	0.6
175.03893	1.3
179.03336	2.3
179.06059	0.6
185.06046	0.7
185.09204	3.9
185.10623	0.6
187.14444	0.7
203.03508	0.8
213.05444	0.6
219.01791	0.8
231.06580	0.8
237.02765	1.4
241.04974	0.6
259.05991	1.7
263.04395	0.5
275.08646	0.6
277.07068	0.7
286.13812	1.1
287.05478	3.0
304.05560	0.8
305.06403	1.3
305.11993	1.5
323.10034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
59.75550	0.9
70.02091	5.0
70.98108	31.6
71.95263	8.0
72.96036	3.7
74.97585	2.7
84.96016	4.6
85.02869	1.3
88.99149	10.5
98.20724	1.1
98.97565	84.6
107.00176	2.7
110.97528	5.9
112.99113	4.0
115.00697	2.8
115.02386	1.4
116.98604	47.9
119.01932	1.0
124.95461	9.8
128.98578	8.2
131.00145	5.4
133.01682	3.6
133.03418	5.3
134.99628	20.7
140.00162	1.7
140.98529	2.9
142.96495	13.3
143.00117	3.6
143.08130	3.8
144.98062	4.4
145.01685	3.5
146.99606	9.7
149.01202	3.8
152.95012	1.5
153.00630	1.6
154.96548	1.3
156.98053	1.7
158.99644	10.9
159.04974	2.4
160.97572	8.6
161.01210	3.8
162.99136	3.2
165.00676	4.1
170.95981	8.6
172.97563	17.2
173.01242	4.8
173.91147	1.1
174.99130	9.6
177.00700	8.8
177.05992	1.4
178.98589	2.1
184.97574	7.1
186.99109	4.2
188.97026	29.9
189.00653	9.1
190.98599	27.9
191.02222	5.4
193.00154	9.9
201.00679	3.1
202.98607	20.5
205.00186	11.9
206.98106	18.9
207.01665	7.6
208.99612	6.4
211.01279	1.4
212.97057	2.9
214.98586	7.3
216.57835	1.4
217.00166	4.2
219.01715	2.6
220.99670	17.1
223.01227	5.0
226.00191	1.5
230.98087	26.9
232.99652	20.8
235.01271	6.3
239.00764	3.3
244.99651	6.1
245.05051	2.7
248.99188	12.6
251.00833	2.0
263.00702	24.1
273.04489	3.5
275.15720	1.1
281.01749	22.0
284.81433	1.2
286.02258	1.8
289.23615	1.0
299.02884	3.0
305.01428	1.1
305.05338	1.9
305.12054	6.0
323.06329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0649
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.03928	1.4
55.01871	1.2
65.03916	2.6
66.16963	0.9
67.01846	4.1
67.05480	2.1
68.99783	10.1
69.03432	0.9
71.24348	2.0
77.61996	0.8
78.75816	0.8
79.05470	1.1
81.03396	1.9
83.01331	0.8
87.86362	0.8
89.03910	1.6
91.05473	1.3
93.03400	1.7
95.04945	2.3
97.02878	1.1
105.03354	2.3
107.04926	2.4
109.02850	3.9
111.04416	5.0
113.02328	2.1
118.04142	1.1
119.04878	1.4
121.02802	2.5
121.03646	0.8
121.10187	1.0
122.05997	1.0
123.04413	63.5
124.05212	1.6
125.02341	6.1
126.05522	0.9
127.03905	4.4
133.02884	0.9
135.04404	11.5
137.02327	6.0
138.03096	2.5
139.03882	32.2
141.01781	1.5
143.03404	5.6
146.03609	1.3
147.04372	4.5
149.02322	6.7
151.03883	5.4
153.01778	3.1
153.04224	1.1
153.05386	1.4
154.04950	9.4
155.03371	100.0
156.03758	1.1
161.02280	1.0
161.05989	1.1
163.03886	23.8
164.04610	2.0
165.05429	1.8
167.03371	7.8
171.04367	1.2
174.80969	0.9
175.03903	1.6
179.03381	2.6
185.05968	2.4
189.05437	1.1
195.02818	1.2
199.03952	1.9
203.03455	1.1
213.05447	4.9
217.04980	2.1
222.05862	0.9
231.06549	2.4
241.04930	3.7
245.04408	2.4
255.16600	1.0
259.06009	5.7
261.03915	2.4
261.15866	1.2
269.04321	2.5
277.07101	4.7
287.05362	8.6
305.06259	9.9
305.14691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0649
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
53.03914	1.0
55.01850	1.9
65.03912	2.7
66.59789	0.7
67.01855	5.6
67.05475	1.5
68.99774	9.1
71.33802	1.7
77.03905	1.2
79.05484	0.9
81.03396	1.6
85.02878	1.2
86.45427	0.7
93.03375	1.9
93.61980	0.6
95.04948	2.6
97.02867	1.5
99.04449	0.8
102.93140	0.7
105.03340	2.5
107.04903	1.5
109.02844	3.0
109.97836	0.8
111.00803	1.0
111.04420	5.1
113.02338	1.0
115.05434	0.7
118.04115	0.8
119.04918	1.3
121.02847	3.6
123.04405	71.3
124.05099	0.6
125.02318	4.8
126.05525	0.7
127.03893	4.0
131.04852	1.0
133.02797	1.2
135.04382	11.9
137.02327	7.4
137.05952	1.0
138.03088	5.2
139.03871	26.6
141.01828	1.7
143.03366	2.7
147.04384	5.0
149.02325	8.7
150.03067	1.0
151.03877	6.9
153.01814	3.5
153.04161	1.9
153.05444	3.9
154.04942	7.4
155.03362	100.0
156.03752	0.8
157.06459	1.7
159.04367	0.8
161.05930	1.2
163.03874	16.0
164.04530	0.8
165.05408	1.7
167.03381	6.6
171.04434	1.1
175.03918	2.4
177.05429	1.0
179.03400	3.5
185.05930	2.0
189.05464	2.7
195.02821	1.5
199.03981	1.3
203.03340	2.7
213.05431	4.5
217.04990	3.0
231.06450	5.7
241.04939	4.1
245.04425	1.7
259.05942	10.2
261.03906	3.5
269.04352	1.9
277.06949	3.4
287.05423	7.5
305.06339	10.2
305.15594	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	305.1013
Annotation	Catechin-7-methyl ether
Peak:m/z	Relative Intensity
53.03920	0.6
55.01848	0.7
65.03912	0.6
67.05490	4.5
68.99773	3.3
69.03399	0.7
69.68841	1.9
69.69252	0.8
75.77137	0.3
79.05481	2.6
81.03396	0.8
81.07034	1.4
85.02875	0.4
91.05463	2.5
92.89566	0.3
93.86441	0.3
94.04176	1.6
95.04954	7.4
97.06498	0.8
98.20705	0.6
105.03354	0.4
107.04929	0.8
109.02859	0.6
109.06493	1.7
110.03651	0.5
111.04412	0.7
113.51101	0.3
119.04926	7.7
123.04408	39.0
124.04745	0.8
125.05972	1.3
127.03878	1.4
135.04393	0.8
137.05923	1.7
139.03880	2.8
141.05423	4.8
147.04381	24.9
148.04707	0.5
151.03847	1.3
153.05435	100.0
154.05743	2.3
155.03375	1.9
163.03877	0.7
165.05453	19.9
166.05954	0.5
180.85266	0.3
183.06479	1.7
195.06548	0.7
259.06088	0.4
269.07959	0.3
287.05643	0.6
287.09143	0.7
287.13580	0.4
305.06723	0.6
305.10324	1.7
305.14880	0.5
305.18045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.6
55.01863	8.4
55.05502	11.0
57.03427	6.8
58.06575	2.2
60.76793	1.0
65.03934	5.4
67.05494	58.4
69.03408	1.4
69.07062	7.0
70.54329	1.2
71.04967	1.6
79.05479	26.1
81.03407	2.1
81.07038	24.3
83.04961	1.7
83.08595	1.7
85.06514	2.5
91.04919	2.2
91.05463	30.2
91.54970	1.2
92.05791	2.4
93.07027	23.2
95.04954	100.0
95.08596	11.3
95.72213	1.1
96.05253	1.4
97.06521	6.3
97.10146	1.3
103.05453	1.6
105.07016	22.4
107.04943	11.6
107.08573	15.5
109.02851	3.0
109.06505	29.5
109.10110	3.0
111.08046	3.0
115.05472	2.6
116.06221	1.3
116.46167	1.2
117.06986	9.1
119.04919	1.7
119.08546	10.4
121.06487	10.1
121.10124	5.7
123.04414	2.5
123.08032	3.9
125.09576	1.5
127.03878	3.4
128.06203	1.5
129.06992	5.0
131.08545	17.7
133.06482	3.7
133.10098	4.5
135.07040	2.2
135.08031	32.1
135.11670	5.8
137.05971	11.9
139.03864	5.0
142.07706	1.4
143.08539	7.0
145.06474	1.9
145.10095	10.4
147.08037	7.1
147.11668	2.4
149.09583	6.9
149.13220	3.0
151.03889	7.6
155.03391	1.5
157.10118	3.2
159.08020	1.8
159.11687	5.7
161.09579	3.9
161.13219	1.4
163.11147	3.8
165.12726	10.6
169.10136	2.1
171.11653	3.1
175.03873	1.3
175.11159	2.3
177.12737	5.2
179.03395	1.3
181.10191	1.2
185.13190	3.0
186.76546	1.1
187.11147	2.3
191.14400	1.6
199.14803	1.8
201.12651	1.9
205.12253	2.2
217.15881	6.3
221.08090	1.2
223.62589	1.0
227.17960	1.9
237.16446	2.3
245.18951	2.6
255.17419	2.8
273.18439	28.2
287.05405	2.0
287.20148	1.6
305.05429	2.6
305.21057	19.7
305.30215	8.9
311.36993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	3.3
53.91220	1.8
54.57090	1.7
55.01886	2.8
55.05501	22.4
57.03423	3.0
57.07061	10.5
59.04979	2.6
65.03924	2.6
67.05498	36.6
69.03422	10.1
69.07062	35.9
70.46854	7.6
71.04981	19.5
71.08593	2.2
73.06556	2.2
79.05485	23.4
81.03402	3.0
81.07043	91.5
82.07352	2.7
83.04977	5.9
83.08606	12.3
85.06528	5.5
91.05477	14.2
93.07030	40.4
95.04966	9.2
95.08595	69.9
96.08899	2.0
97.06532	6.2
97.10144	9.7
99.08064	3.8
103.05545	2.0
104.15641	1.9
105.07015	27.8
107.08583	57.6
109.02872	3.8
109.06513	10.3
109.10144	63.9
111.08039	9.4
111.11696	6.0
117.06976	4.3
119.08557	29.1
121.06484	2.9
121.09264	2.8
121.10130	46.4
123.08058	8.9
123.11689	30.1
125.09624	10.0
126.67792	2.0
127.03901	2.7
127.11179	7.7
129.06990	2.2
131.04895	1.9
131.08554	8.1
133.10091	16.9
135.08044	4.8
135.11673	22.1
137.09595	10.3
137.13266	17.8
139.03903	6.1
139.11166	7.5
141.12715	2.0
143.10649	7.1
145.10100	15.7
147.11665	24.7
149.09633	5.9
149.13235	23.9
151.03908	8.0
151.11162	7.5
151.14816	2.3
153.12741	4.2
155.03450	2.6
156.30307	2.2
157.10097	4.8
157.12180	2.0
159.11674	14.0
161.09570	6.9
161.13231	14.0
163.11174	5.4
163.14752	9.8
165.12711	7.8
171.11681	3.2
173.13268	5.2
175.03815	2.7
175.11153	2.9
175.14816	5.6
177.12773	5.4
177.16373	16.0
179.10487	2.5
179.14296	3.7
181.12170	2.8
187.14783	4.4
189.16402	3.4
191.08080	2.0
191.14340	3.2
195.17412	7.8
201.16345	20.8
203.17932	3.9
213.16397	5.1
213.33551	2.3
215.17914	3.8
217.15884	2.4
217.19580	3.3
219.17400	4.7
219.84337	1.9
245.22589	2.7
269.22571	8.3
287.05508	3.7
287.23615	22.2
305.05521	23.3
305.21240	4.9
305.24731	100.0
306.24991	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	305.247
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03928	3.4
55.01865	2.1
55.05497	21.9
57.03428	3.5
57.07064	10.8
59.05009	1.4
64.59716	1.6
65.03917	3.0
67.05496	39.9
69.03411	6.6
69.06687	2.6
69.07056	42.8
71.04976	25.3
73.06538	2.2
73.59178	1.3
79.05485	18.9
79.61210	2.0
81.03366	2.5
81.07044	93.0
83.04961	5.9
83.08613	14.4
84.08081	1.9
85.06522	6.9
91.05462	13.9
93.07028	45.3
95.04953	8.8
95.08590	76.6
95.23366	1.5
97.06502	6.5
97.10149	7.4
99.08060	4.5
100.11260	1.7
104.21402	1.7
105.07009	30.3
107.04944	1.7
107.08573	49.4
108.08837	1.5
109.02859	3.1
109.06510	11.0
109.10140	74.0
111.08045	8.2
111.11702	5.8
113.05289	1.4
117.07050	2.4
119.04871	1.5
119.08555	27.0
121.06480	3.9
121.10118	42.7
123.08020	9.0
123.11686	40.4
125.09640	10.2
125.13226	3.2
127.03899	2.9
127.07567	2.0
127.11171	15.1
131.08548	6.8
133.10112	18.5
135.08052	6.2
135.11674	24.3
137.05852	1.7
137.09610	9.3
137.13246	16.1
139.03859	3.3
139.07491	3.8
139.11156	6.9
141.07086	1.6
142.07545	2.1
143.08559	3.9
143.10654	5.4
145.10110	11.9
147.08034	2.5
147.11652	25.2
149.09563	3.3
149.13240	16.2
151.03888	5.6
151.07527	2.7
151.11160	5.0
153.09105	4.6
153.12691	2.8
155.10645	4.2
157.10088	5.8
157.12187	2.1
159.11674	12.8
161.09584	5.7
161.13254	12.4
163.11169	4.3
163.14792	7.6
165.12753	8.9
167.10658	3.2
167.14308	2.7
171.11697	3.5
173.13255	6.6
175.11177	3.5
175.14818	6.4
177.12787	2.5
177.16354	14.9
179.10695	3.6
181.12199	2.0
185.13229	4.1
187.14774	3.8
189.16319	8.2
191.14351	1.8
191.17972	2.6
193.15860	2.5
195.17445	4.7
199.14810	4.2
201.16312	20.4
203.18005	3.8
207.17369	2.2
213.16344	6.9
215.17908	4.3
217.15927	3.3
217.19542	2.5
219.17422	4.2
231.17365	3.2
245.08095	3.7
245.22546	3.1
249.18416	2.0
259.24304	4.3
269.22610	7.2
287.05292	2.2
287.23611	21.2
305.05585	9.7
305.24728	100.0
306.24963	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	juniperonic acid
Peak:m/z	Relative Intensity
53.03941	2.9
54.47615	1.9
55.05498	17.9
57.03419	2.7
57.07056	9.3
59.04990	2.3
65.03917	2.4
67.05495	57.1
69.03414	4.8
69.07059	38.2
71.04982	23.3
71.08612	3.2
79.05484	15.9
81.07042	96.2
83.04968	4.0
83.08603	16.2
85.06515	5.6
91.05462	13.5
93.07025	39.4
95.04949	25.8
95.08588	85.6
95.09204	4.2
97.06489	6.1
97.10139	8.1
98.20634	4.7
99.08064	8.1
103.94689	1.9
105.07013	26.4
107.08569	49.8
108.08865	2.0
109.06496	7.5
109.10139	99.0
111.08045	10.9
111.11734	3.6
117.07021	2.8
119.08572	19.9
121.06523	2.2
121.10119	37.3
123.04424	2.7
123.08037	6.7
123.11690	33.5
125.09610	8.3
125.13240	4.1
127.03846	2.5
127.11189	11.4
131.08527	6.6
133.10129	15.4
135.08006	5.7
135.11678	25.8
137.09579	10.7
137.13245	21.6
139.03876	3.3
139.11127	4.8
141.12715	2.7
143.10674	7.2
145.10121	11.4
145.15625	2.2
147.11647	22.2
149.09573	3.4
149.13213	19.9
151.03860	7.6
151.07533	2.0
151.11177	3.2
153.12721	5.6
157.10130	5.0
159.11644	9.6
161.13184	9.6
163.14876	5.8
165.12730	9.2
171.11725	2.7
171.56651	2.1
173.13297	2.5
175.11209	2.5
175.14769	6.6
177.12645	2.3
177.16339	16.5
185.13205	4.1
187.14899	2.9
189.16400	5.7
191.14305	2.4
191.17891	2.5
193.12207	2.5
195.17461	6.6
199.14705	2.4
201.16353	16.9
203.17931	5.0
205.19476	4.9
213.16330	3.8
217.15944	2.6
219.17438	2.6
221.13203	1.8
259.24216	4.0
269.22650	6.5
277.25159	4.8
287.23654	16.2
305.05457	8.4
305.24704	100.0
306.25052	4.5
322.93512	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	305.247
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.19804	1.6
51.02629	1.6
53.03936	5.2
54.51511	1.9
55.05510	18.6
57.03411	2.3
57.07061	8.0
65.03936	2.7
67.05496	15.1
67.61295	1.9
69.03427	13.2
69.06733	2.7
69.07063	26.0
71.04611	3.8
71.04980	55.5
73.06535	4.0
79.05476	30.6
79.89314	1.8
81.07044	93.1
83.04951	5.0
83.08600	9.0
85.06531	4.3
91.05453	15.6
93.07034	59.0
95.04964	5.9
95.08595	36.4
97.06513	12.3
97.10152	5.7
98.20684	6.1
98.97544	2.6
99.08084	12.0
105.07014	34.3
105.45019	1.8
107.08581	82.6
109.06506	5.6
109.10146	29.5
111.08073	6.5
117.06972	2.6
119.08562	35.2
121.10130	19.2
123.08047	6.2
123.11676	17.8
125.09618	14.3
127.03870	2.3
127.07525	5.3
127.11176	100.0
131.08580	8.1
133.10094	17.8
135.08054	4.8
135.11670	99.4
137.09599	2.9
137.13243	7.9
139.03874	2.9
139.11157	6.3
142.07777	2.4
143.08531	6.2
145.10095	25.9
147.11662	12.9
149.09604	2.3
149.13222	13.1
151.03868	2.6
151.11154	4.9
151.56772	1.9
155.10645	43.3
157.10132	11.3
159.11659	23.6
161.09529	2.4
161.13264	7.9
163.11102	3.0
163.14828	4.0
165.12764	3.8
171.11665	7.8
173.13274	7.5
175.14752	4.3
177.16388	3.4
183.13768	11.1
185.13254	9.2
187.14764	3.7
189.16353	7.9
191.17998	2.6
193.15997	2.7
199.14804	8.1
201.05458	4.1
201.16339	32.5
203.17947	4.5
213.16380	8.5
215.18079	2.8
217.15782	2.2
219.17426	17.7
245.22736	2.4
269.22552	4.8
287.23755	14.2
305.05350	4.9
305.24686	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	305.2471
Annotation	juniperonic acid
Peak:m/z	Relative Intensity
50.83016	1.4
53.03939	2.5
55.01862	1.4
55.05499	15.7
57.03419	1.4
57.07082	7.6
61.39917	1.3
67.05491	35.3
67.05840	2.1
67.09082	1.3
69.03425	2.6
69.07060	32.2
69.33306	6.9
69.33737	8.4
71.04977	11.2
79.05478	15.0
81.07045	100.0
83.04973	2.6
83.08614	11.7
85.06557	2.4
91.05466	11.2
93.07024	34.4
95.04461	1.4
95.04978	5.9
95.08595	83.4
97.06546	4.1
97.10154	6.4
98.20657	3.2
98.97618	1.5
104.61144	1.4
104.82742	1.3
105.07008	21.9
105.07597	1.4
107.08576	43.2
109.06541	5.9
109.10139	59.4
111.08104	2.0
111.11738	3.1
117.07055	3.4
119.08559	18.6
119.09322	1.8
121.06524	3.9
121.10141	31.3
121.10989	2.5
123.08074	4.1
123.11691	28.4
123.12516	1.9
125.09663	4.2
127.11208	4.4
131.08591	3.7
133.10106	15.3
135.08112	2.1
135.11670	17.4
135.12469	1.4
137.06001	2.7
137.09680	2.5
137.13243	23.8
139.03943	2.8
139.11203	2.8
143.08609	2.5
145.10101	7.8
147.11649	18.2
149.09607	1.9
149.13235	19.4
151.03941	2.8
151.07584	1.3
151.11244	2.1
151.14877	2.7
153.09186	1.8
153.12773	2.3
157.10178	4.2
159.11678	8.7
161.09663	3.0
161.13258	8.1
161.64281	1.4
163.11253	2.8
163.14784	8.5
165.12808	3.2
171.11751	2.6
173.13326	4.0
174.98042	1.5
175.11145	1.5
175.14928	4.7
177.12755	2.5
177.16389	3.8
178.35635	1.6
179.10701	2.2
179.14273	2.1
181.12163	1.7
187.14816	3.1
189.16435	4.5
191.18018	3.6
193.12311	2.5
195.13852	1.7
199.14926	1.9
201.16374	12.6
203.14421	1.6
203.17999	3.6
205.15887	1.9
205.19586	2.8
213.16359	4.2
215.18016	2.9
217.19659	2.1
219.17467	2.3
231.17485	3.9
235.17250	1.4
249.18674	1.7
259.24265	7.9
269.22662	5.5
287.23688	18.1
305.05695	5.2
305.11359	2.8
305.24850	48.8
306.25330	2.4
313.96716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92522	0.3
52.52785	0.4
57.61422	0.4
69.07049	1.2
69.16649	0.4
70.10561	1.9
79.05470	0.9
81.07035	1.0
86.06033	0.4
93.07005	0.4
94.04162	2.2
95.08548	0.5
96.37157	0.4
97.06528	0.6
98.20766	0.6
98.21328	0.8
107.08582	0.8
111.11613	0.4
114.09167	0.8
122.03633	7.2
126.09090	0.5
135.11719	1.0
137.05951	100.0
138.06276	1.0
138.70372	0.4
138.95992	0.4
153.12698	1.3
160.57458	0.4
170.15356	2.6
178.43883	0.4
182.15395	2.7
283.27457	0.4
306.20514	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
54.17274	0.2
55.01843	0.9
55.05503	7.3
57.07047	0.8
59.77916	0.2
65.03910	0.9
65.74809	0.2
67.05491	10.4
69.06693	0.5
69.07052	7.4
70.06553	0.3
71.04959	0.2
71.08610	0.3
72.04505	0.4
79.05489	2.6
81.07041	8.4
82.06570	0.4
83.04916	0.3
83.08607	2.8
84.04478	0.3
85.05267	2.6
85.19874	0.2
86.06043	1.0
91.05462	1.6
93.07033	2.4
95.04948	0.3
95.08591	5.7
96.08114	0.4
97.06474	0.3
97.10152	0.9
98.06037	15.1
98.09671	0.2
98.21261	1.3
105.07006	1.1
107.08562	1.1
109.10140	1.9
110.09648	0.6
112.07586	2.3
119.08526	0.9
121.02795	0.3
121.10095	0.8
122.03590	0.3
122.09637	0.2
123.07983	0.2
123.11669	0.7
124.07544	0.5
124.11176	0.3
126.09114	0.4
131.08554	0.3
133.10088	1.0
135.11597	0.5
137.05943	5.7
138.09132	0.3
140.10680	0.8
145.10042	0.3
147.11641	0.5
152.10629	0.3
154.12210	0.8
159.43327	0.2
161.13193	0.3
168.13814	0.7
182.15413	0.6
196.16960	0.6
208.16908	0.8
222.18451	0.6
236.20027	0.5
275.20001	0.8
278.24686	0.5
290.21948	0.2
306.27847	100.0
307.22769	0.3
307.28189	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	307.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	11.9
64.64285	3.9
69.86453	25.1
69.92559	4.0
78.80061	3.9
98.21441	4.8
98.97543	9.3
107.75798	4.3
112.99130	47.5
119.01874	9.6
123.33051	3.8
131.00145	68.0
133.03471	10.9
135.03192	15.8
149.01181	30.3
159.05019	4.0
161.04723	4.9
161.59778	4.5
173.02774	4.1
175.02837	6.4
179.05797	7.0
193.03795	13.2
211.04819	9.1
247.04797	6.6
249.06432	27.1
275.04449	12.1
307.07800	100.0
325.07977	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	307.0807
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00291	0.6
55.01863	0.6
61.28185	0.2
65.03920	1.0
67.05486	1.0
68.99779	1.1
69.40401	2.7
79.05469	0.4
81.03429	0.4
83.04977	0.5
89.03863	0.4
93.03369	1.0
95.04956	1.4
97.02872	0.4
98.20715	0.5
102.71955	0.2
104.69434	0.3
107.04923	1.2
111.04423	2.1
116.13403	0.3
121.02856	1.3
121.06453	0.3
123.04411	1.5
127.03889	0.9
131.04904	1.1
133.02823	1.8
135.04396	3.4
139.03877	100.0
140.04208	2.2
145.02831	0.9
149.05956	1.1
151.02798	0.4
151.03896	3.7
153.01801	0.8
153.05455	1.1
155.03374	0.4
159.04370	3.2
163.03883	9.9
164.04201	0.3
165.05392	0.3
169.04984	1.8
177.05472	3.3
179.07033	0.4
181.04929	4.3
195.06488	2.9
195.28864	0.3
205.04947	0.8
219.06673	0.3
223.06000	1.3
247.05945	0.5
265.07135	0.4
280.68564	0.3
289.07028	0.6
304.40802	0.3
307.08069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0807
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
53.58296	0.7
62.63488	0.7
63.48391	0.7
65.03920	0.9
67.01856	5.5
67.05485	1.5
68.99776	7.2
71.21024	1.8
71.21357	1.0
73.25352	0.8
74.27699	0.8
78.04729	1.0
81.03403	1.4
85.49335	0.7
91.05458	3.6
95.04929	1.2
97.02897	1.1
104.87868	0.9
107.04937	0.9
109.02873	2.9
111.04385	1.9
111.12266	0.9
112.41352	0.7
115.05349	1.1
119.04919	13.1
121.02823	0.8
123.04409	59.7
124.04730	1.7
127.03904	3.1
130.06493	10.3
131.04889	1.5
131.44502	0.9
132.04402	2.5
135.04413	1.3
137.02321	6.3
139.03874	33.6
147.04385	35.1
149.02284	1.1
149.05923	1.5
151.03871	2.5
155.03365	100.0
156.03668	4.1
157.07562	8.4
158.05971	10.9
161.05948	1.4
163.03880	4.3
165.05458	17.6
169.04936	0.9
172.71503	0.8
173.05891	1.0
175.08675	5.2
176.07117	0.8
177.05450	4.9
181.04971	1.2
187.03848	1.4
197.05945	1.3
201.05302	1.5
203.07033	0.8
214.32164	0.8
229.04912	2.1
243.06830	1.1
247.06000	1.1
261.08777	3.8
271.06143	1.6
289.06979	3.8
307.07886	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0808
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.97497	0.8
53.03940	0.8
54.68222	0.8
55.01870	1.0
67.01852	3.9
67.05483	1.0
68.99784	6.5
69.95062	5.0
81.03397	1.6
91.05480	4.3
95.04961	2.4
97.02876	1.2
105.03347	0.8
109.02864	1.5
111.04428	2.7
119.04918	12.5
123.04414	59.3
124.04736	1.5
127.03915	2.4
131.04927	1.1
133.02753	0.8
135.04413	2.8
137.02335	4.6
137.05969	1.0
139.03888	37.5
140.04259	1.4
146.76208	1.0
147.04391	34.3
148.04695	1.4
149.05978	1.2
151.03894	2.6
155.03371	100.0
156.03729	4.4
161.05978	1.7
163.03877	4.8
165.05464	19.0
173.05960	1.3
177.05449	5.4
181.05000	1.0
184.27226	0.8
201.05444	2.0
203.07001	1.3
205.04910	1.1
229.04980	1.6
243.06700	2.0
247.05980	1.7
261.12390	2.0
271.05905	2.8
289.07034	5.5
289.11700	1.6
307.08051	2.0
307.12903	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1283
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01862	2.1
57.03435	0.3
65.64569	0.3
67.05483	0.4
69.03412	0.7
69.07063	0.6
70.06550	0.4
72.08134	0.4
76.02197	0.5
79.05492	1.0
81.03456	0.5
81.07019	1.1
83.04956	0.4
84.04527	0.4
84.13176	0.4
85.02891	0.6
91.05460	1.5
93.07018	0.7
94.06556	0.6
95.04968	0.8
95.08605	0.4
96.04469	0.6
97.02835	0.4
97.64019	0.4
98.06034	1.4
101.16120	0.3
105.06973	1.0
105.58706	0.4
107.08549	1.6
108.04450	1.4
109.02856	0.4
111.67990	0.4
117.07019	0.5
120.04463	0.7
122.06017	2.6
123.04421	0.8
124.07555	1.4
129.06976	0.8
131.08536	0.7
132.08090	0.4
133.06451	0.5
133.10121	0.7
135.04358	0.6
135.08063	2.5
136.07542	1.8
138.05481	0.5
139.03885	0.7
139.07408	0.4
140.07054	2.1
143.07245	0.4
143.08487	0.6
144.08099	0.7
145.06429	0.4
146.06009	0.7
146.09598	0.4
148.07533	1.1
150.05540	0.6
150.09111	0.7
154.08325	0.4
155.08575	0.4
156.08083	0.5
157.06450	0.4
157.10081	0.4
158.06006	0.4
158.09572	0.4
159.09151	0.5
159.11673	0.7
160.07530	2.5
161.09543	0.4
162.09097	0.5
163.03876	1.0
163.08652	1.6
164.07056	0.5
167.07024	0.5
168.06577	2.9
170.05980	0.4
170.08296	0.4
171.08017	0.6
172.07584	0.7
173.07097	0.7
173.10753	0.5
174.09106	3.2
176.07027	0.8
176.10706	0.4
177.10266	2.0
178.08612	17.8
182.08185	0.9
184.07445	2.0
185.08362	0.5
186.09126	1.0
187.07291	0.8
187.08673	1.6
188.07045	4.4
189.07730	0.4
189.10307	0.6
190.08528	0.5
191.08153	0.8
192.10187	0.6
196.09679	0.4
198.09116	2.3
201.06549	1.0
201.10262	3.2
202.08603	6.5
204.10216	0.8
205.09727	4.4
206.08109	3.0
211.08791	0.7
212.07036	0.8
215.08261	0.5
215.11746	0.5
216.10275	2.8
217.09752	0.5
219.07689	1.6
219.11250	5.9
220.09688	3.1
225.10269	0.7
226.08644	2.9
229.09724	6.1
230.08080	4.1
243.11369	1.9
244.09657	4.6
244.11897	0.5
247.10767	12.2
248.09103	1.0
254.08194	0.9
261.12225	1.8
262.10666	1.7
265.11810	14.5
271.10751	2.1
272.09052	2.0
289.11801	16.5
290.10074	0.5
295.94049	0.4
307.12839	100.0
308.13290	2.0
317.54172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.8
58.06580	4.0
61.01117	0.5
69.03416	0.7
69.07042	0.9
70.81371	1.3
70.81776	1.1
81.07072	0.5
82.03870	0.5
84.04488	22.2
84.08126	100.0
85.08488	0.6
86.06055	7.5
86.09698	6.3
88.03988	1.1
104.15595	0.6
105.79618	0.6
111.04440	0.6
119.04923	1.1
123.04409	6.5
123.44492	0.7
128.31560	0.7
128.38951	0.6
130.06560	0.6
130.08623	2.1
139.03871	14.0
141.13835	6.0
147.04417	2.3
151.03940	0.8
155.03368	6.4
163.03899	2.4
165.05453	1.3
169.13329	10.2
181.04858	0.9
181.69281	0.5
194.41231	0.6
198.11227	1.3
201.12755	0.6
215.13870	34.3
243.17004	44.3
244.17366	1.4
262.10962	2.8
289.07117	0.7
289.11798	0.6
302.98160	0.6
307.16788	10.7
307.20096	0.9
325.72348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03932	2.8
55.01855	9.5
55.05500	25.8
55.68680	2.2
57.07063	2.8
67.05491	34.4
69.07057	21.6
71.04972	4.2
79.05486	21.9
81.07039	39.0
83.04967	3.1
83.08600	8.8
91.05444	20.8
93.07027	24.2
95.04954	17.0
95.08581	26.1
97.06548	15.3
97.07068	3.4
97.10162	7.4
98.06026	9.4
98.21075	17.8
98.98463	3.3
105.06993	21.2
107.04893	3.8
107.08584	23.6
109.06500	79.0
109.10134	12.0
111.08054	3.3
114.83006	2.2
116.01856	2.3
116.74159	2.5
117.06990	6.2
119.08578	13.3
121.02821	3.4
121.06523	6.8
121.10104	10.5
123.08058	7.4
123.11700	4.0
125.09608	7.9
129.77245	2.2
131.08521	10.3
133.10059	10.9
135.08003	7.5
135.11641	2.9
137.05934	8.3
137.09612	5.2
138.06281	6.6
139.03880	9.0
139.11160	3.8
143.08533	3.3
145.10077	9.0
147.11642	8.6
149.09584	9.3
151.11127	5.0
159.11703	8.4
163.11165	6.4
165.12755	9.3
173.13283	3.4
175.11183	2.8
183.11574	3.4
187.11084	2.8
187.14746	3.1
191.14157	3.5
197.13310	3.5
203.12701	4.2
229.19322	3.0
229.58983	2.9
247.13220	2.3
251.16383	24.9
257.19022	4.4
275.20093	23.7
289.21561	18.0
307.22629	100.0
307.28201	83.0
308.22781	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2625
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03943	2.1
55.01869	2.9
55.05506	13.1
57.07068	7.1
59.04985	2.4
65.03923	1.9
65.64207	1.4
66.16866	1.6
67.05495	25.4
67.70322	1.2
69.03419	4.0
69.07056	34.8
70.06577	2.1
70.34729	3.8
71.04972	5.9
71.08617	1.5
77.71416	1.2
79.05476	13.2
81.07043	100.0
83.04958	2.5
83.08596	9.0
85.06530	5.7
88.07620	1.7
91.05453	8.5
91.43616	1.5
92.51514	1.4
93.07028	35.2
95.04926	2.9
95.08590	73.7
96.08922	1.4
97.06512	8.5
97.10142	5.1
98.55998	1.3
99.08070	5.6
104.08851	1.4
105.07007	15.0
107.08578	33.1
109.06498	4.9
109.10136	31.0
111.08060	24.6
111.11686	6.4
113.30402	1.3
119.08544	8.6
121.10108	18.1
123.08070	2.9
123.11687	34.3
125.09669	2.4
127.11189	2.5
131.08537	2.1
133.10094	14.2
135.11690	11.6
137.13243	17.4
139.11145	10.2
145.10104	3.0
147.11662	8.1
149.13225	14.9
151.11166	20.0
151.14812	3.0
153.12741	3.4
159.11670	4.1
161.13258	4.1
162.30226	1.3
163.14772	3.5
165.12712	6.5
167.14281	2.2
169.12169	3.4
175.14807	3.6
177.16383	4.2
187.14804	1.9
189.16301	2.8
201.16328	1.4
201.20522	2.3
203.17957	3.8
214.02168	1.5
215.17944	2.6
217.19521	2.0
237.18590	1.3
245.22879	6.0
271.24207	4.4
289.25140	9.5
307.26404	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
57.03407	1.8
58.27052	1.4
58.99583	2.4
63.69985	1.5
64.14848	1.4
67.05483	3.5
69.03407	3.6
69.07052	1.7
70.02625	6.6
71.04977	15.5
74.00621	2.1
76.02205	2.2
76.75025	1.4
76.81346	1.5
77.88685	1.5
79.05482	9.3
81.07044	18.2
83.04955	3.1
86.00633	6.5
87.02662	3.3
88.02206	13.0
88.03984	8.5
91.05457	1.7
93.07008	3.4
95.04950	2.6
95.08624	1.9
97.01111	1.8
97.06531	1.7
98.20706	1.8
99.02672	2.8
99.08094	7.7
105.07012	3.1
107.08579	8.4
109.10143	7.8
111.02648	2.9
113.04194	3.7
114.03703	1.8
115.02120	7.1
121.10131	2.5
123.04399	3.4
123.11672	6.6
125.09596	4.4
127.11136	2.2
128.05266	12.5
129.03697	2.7
132.01094	7.4
133.10120	2.9
134.02658	3.9
139.03870	3.5
139.11147	2.7
140.04295	2.5
140.05263	10.3
141.03635	11.2
148.04718	4.0
151.11156	16.1
155.03351	3.2
158.06097	1.9
158.07866	1.7
159.06328	2.2
163.03899	2.7
169.12207	7.9
174.05833	17.1
175.04250	3.5
183.08354	3.1
186.05774	25.7
187.04181	14.5
201.09444	8.9
209.09996	2.4
226.12608	9.4
227.10880	4.0
230.28392	1.6
254.11955	3.1
255.10439	3.1
269.07922	1.5
272.13101	100.0
273.11407	6.3
290.14166	11.4
308.15210	11.7
309.40634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2214
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01855	0.3
55.05509	0.6
57.07053	0.5
58.02952	0.3
66.04703	0.4
67.05481	0.7
69.07049	0.8
70.01453	1.3
70.04053	0.5
71.08611	0.8
76.02212	0.5
79.05463	0.7
81.07034	2.2
91.05462	0.7
93.06992	0.4
94.04166	2.5
95.04967	0.5
95.08605	1.0
98.20754	0.3
98.70309	0.2
105.07007	0.2
107.04928	0.4
107.08600	0.3
109.06499	0.7
122.03631	8.0
122.39011	0.2
128.10666	0.3
137.05952	100.0
137.13174	0.6
138.06256	1.9
155.14294	0.3
165.12785	0.3
172.16975	1.3
184.16936	2.6
191.28313	0.2
219.44177	0.2
274.21732	0.5
291.23160	0.9
308.22577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.71473	0.9
53.03953	1.2
55.01862	4.4
55.05494	3.4
57.03157	1.8
57.03426	32.6
57.07056	2.7
59.05009	0.9
65.03914	1.9
67.05491	24.1
67.14659	0.9
69.03417	1.3
69.07043	3.0
71.04977	3.6
71.43909	1.4
79.05476	15.4
81.07040	11.5
83.04949	1.1
83.08615	2.7
85.06537	28.7
90.13034	1.0
91.05464	12.4
93.07016	8.6
95.04948	34.8
95.08595	6.5
97.06509	1.8
105.06998	6.3
107.04922	4.7
107.08572	7.6
107.09202	1.2
108.47056	1.1
109.06496	39.4
109.10126	1.5
111.30727	1.0
113.05984	100.0
114.06368	1.1
117.07009	5.8
119.08558	3.8
121.06484	2.1
121.10102	3.7
123.08053	2.6
128.06184	1.4
129.06990	4.8
131.08514	6.4
133.10138	3.8
135.08017	30.8
135.11687	2.8
142.07802	1.1
143.08540	4.3
145.10110	4.0
147.08022	2.2
149.09590	4.0
157.10124	3.8
159.11699	3.0
161.09579	4.2
163.11168	2.3
171.11705	1.7
175.11241	1.2
177.12704	1.5
185.13187	1.1
193.61153	1.1
199.11020	1.1
199.14806	2.3
201.12766	1.6
217.15797	9.1
231.76596	0.9
245.18712	1.3
246.49681	1.0
255.17542	1.2
273.18430	11.5
291.19476	36.4
292.19846	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03928	9.8
55.01846	7.2
55.05505	49.3
57.03430	12.9
57.07045	2.9
59.04963	3.0
65.03940	3.2
67.05146	2.5
67.05495	46.4
69.03399	7.5
69.07052	19.7
70.06580	3.2
70.40478	9.9
71.04975	11.1
79.05483	82.7
81.03408	14.3
81.07042	61.8
83.04970	9.9
83.08610	24.0
84.34739	2.6
85.06518	8.4
91.05461	35.1
93.07028	100.0
95.04952	27.7
95.08589	31.9
97.06532	12.6
97.10143	31.8
99.08091	9.3
105.07015	27.8
107.04942	17.2
107.08582	25.9
109.06496	12.0
109.10126	13.2
111.08045	4.5
113.05986	23.5
117.06999	14.1
119.08549	21.9
121.06490	7.7
121.10124	34.8
123.08040	19.5
123.11681	5.9
125.06005	2.7
125.09614	27.8
129.06973	5.8
131.08522	16.0
133.06482	3.6
133.10089	12.1
135.08022	10.8
135.11650	8.4
137.09576	6.1
143.08551	5.2
145.06477	5.6
145.10072	9.7
147.04404	4.9
147.07986	5.6
147.11699	6.1
149.09602	5.0
149.13174	5.2
157.10152	6.2
159.11682	9.1
163.11180	3.1
169.10042	2.8
171.11606	5.7
187.11098	5.0
189.11203	20.1
189.12721	4.3
195.11813	2.8
195.13777	3.1
199.14743	2.8
205.12061	3.0
207.02905	4.0
213.16425	4.0
217.15814	5.0
221.15259	4.5
223.13290	8.2
227.17906	4.1
235.14578	3.1
241.14281	3.4
245.18909	3.2
249.88889	2.6
255.17358	3.3
273.18433	19.9
291.19461	34.1
309.20523	17.0
315.87354	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	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	2.0
55.01855	5.4
55.05506	31.9
57.03424	2.0
58.19758	1.2
59.04994	1.9
62.18803	1.1
67.05499	13.8
69.03426	3.3
69.07056	14.9
71.04977	1.9
71.68705	2.0
79.05490	17.7
81.03422	3.9
81.07047	19.4
83.04967	2.8
83.08608	16.0
91.05465	9.9
93.07033	10.7
95.01297	1.2
95.04971	5.4
95.08605	10.2
97.06504	1.9
97.10152	21.8
105.03351	1.1
105.07013	9.4
107.04924	3.8
107.08590	13.8
109.06500	2.5
109.10092	6.3
111.04424	1.8
112.81586	1.1
117.07010	3.9
119.04957	1.4
119.08537	8.6
121.06508	3.2
121.10131	4.9
123.04366	1.6
123.08040	8.0
125.09621	19.3
129.07048	2.6
131.08582	3.7
133.06464	2.8
133.10135	2.9
135.08025	3.3
135.11707	2.0
137.09586	2.4
143.08502	2.5
145.10112	3.8
147.08015	3.9
147.11687	3.4
149.09613	1.8
157.10106	1.8
159.08025	1.1
161.09595	1.3
163.11188	3.0
165.09109	3.3
169.10210	1.2
171.11771	1.8
175.11185	2.2
184.07333	1.4
189.11230	9.3
223.13283	2.9
249.14696	1.4
255.17407	1.6
273.18451	10.7
276.92236	1.3
291.19513	100.0
292.19843	4.3
292.33575	1.4
309.20602	5.3
309.23926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	8.2
55.01863	18.7
55.05507	34.0
55.28978	6.4
56.75924	4.6
57.03424	7.7
57.07060	5.5
57.91028	4.7
59.04979	6.8
67.05490	89.9
69.03426	8.4
69.07065	34.8
71.04993	12.2
71.08600	6.9
71.30984	9.7
76.02216	20.2
77.32588	5.0
79.05482	57.0
81.03398	13.6
81.07043	100.0
83.04956	15.3
83.08612	16.6
84.04488	10.4
85.06527	8.1
91.05468	57.0
93.07024	51.3
95.04962	14.1
95.08574	36.3
97.06525	11.2
97.10149	7.9
105.07020	52.1
107.04934	15.0
107.08578	46.7
109.06510	15.6
109.10143	87.7
111.04436	9.1
113.06010	6.5
116.01675	5.5
117.06958	9.9
119.08559	24.2
121.06463	13.2
121.10150	16.6
123.11685	9.0
129.07016	5.3
131.08580	14.4
133.06468	12.6
133.10109	92.7
135.11613	8.9
137.05963	10.3
139.07451	7.5
143.08510	8.0
145.10077	12.2
147.04309	5.6
147.08026	6.9
147.11696	7.4
149.09615	10.0
151.11153	58.6
159.11659	6.0
161.09601	7.4
161.13272	6.0
162.02174	7.6
169.12227	14.4
180.05241	5.9
182.00426	5.1
227.74800	6.4
245.19046	12.7
263.20123	9.8
273.18439	30.7
291.19501	66.2
309.20688	21.7
309.23981	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	309.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01850	3.2
55.05499	15.5
57.03415	9.2
57.07052	3.9
59.83049	2.1
67.05496	32.2
69.07056	19.8
71.04966	3.1
71.69925	3.7
79.05478	33.0
81.03400	7.3
81.06597	3.8
81.07043	40.5
83.04964	4.6
83.08596	6.9
91.05464	47.6
93.07029	59.3
95.04955	51.4
95.08598	37.5
97.06521	18.9
97.10175	3.4
97.27730	2.2
103.05438	4.8
105.07008	80.7
107.04924	5.2
107.08572	31.9
109.06500	15.3
109.10135	21.7
115.05431	2.1
117.06985	18.5
119.08553	56.4
121.06485	8.1
121.10120	100.0
123.08067	11.2
123.11687	8.0
124.79961	2.5
128.06195	8.7
129.06998	15.0
130.07764	6.7
131.08556	35.1
133.09154	4.1
133.10101	39.3
135.08035	4.1
135.11659	11.6
141.06970	3.9
142.07750	9.8
143.08521	27.7
144.09297	6.9
145.06520	3.8
145.10106	45.2
147.04454	2.9
147.08040	4.0
147.11678	13.2
153.07005	4.4
154.07733	3.1
155.08516	13.5
156.09305	7.4
157.10104	34.1
158.10841	5.7
159.08067	2.8
159.11678	39.0
161.09595	9.5
161.13203	7.6
169.10155	15.6
170.10881	5.0
171.11656	16.2
172.12444	2.4
173.13243	17.1
175.11143	2.8
175.14876	5.1
179.08563	4.3
180.09398	3.1
181.10083	4.9
182.10873	5.7
183.11638	12.8
185.13239	11.3
187.11195	11.5
187.14807	15.4
189.12737	3.1
189.16411	2.6
193.10089	5.3
194.10843	3.2
195.11673	7.1
196.12521	4.9
197.13237	12.0
199.14778	7.0
201.12694	3.3
201.16371	3.6
206.10818	3.3
207.11687	5.2
209.13239	6.6
211.14784	10.0
213.16393	4.7
222.55070	2.6
223.14810	3.1
225.16380	5.3
235.14774	5.8
237.16212	3.0
239.17896	4.2
249.16275	3.4
253.15977	4.5
253.19322	4.2
265.19363	4.2
281.22513	5.6
291.21088	11.6
309.07703	3.8
309.22058	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2205
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03913	4.4
55.01852	4.7
55.05501	18.4
57.03410	6.9
57.07034	5.7
58.44039	1.8
59.04964	2.4
62.35609	1.9
62.36552	2.0
65.03906	2.5
67.05492	35.7
67.50013	1.9
69.07059	25.0
69.43089	6.1
69.43514	14.3
70.06561	4.3
71.08577	2.0
79.05479	29.9
81.03390	5.2
81.07038	43.1
83.04958	2.8
83.08585	6.7
85.06525	2.0
91.04941	3.1
91.05466	42.0
93.07027	62.1
95.04943	51.5
95.08026	2.9
95.08589	43.7
97.06071	1.7
97.06514	18.5
103.05399	4.0
105.04434	3.0
105.07011	78.3
107.04932	3.0
107.08571	43.8
109.06509	13.1
109.10133	23.9
115.05399	3.2
115.56843	2.0
117.06998	17.2
119.07748	4.3
119.08556	64.1
121.06436	8.8
121.10122	100.0
122.10313	2.4
123.08027	9.4
123.11732	9.8
128.06161	8.7
129.06973	10.2
130.07742	5.5
131.08543	36.4
133.06502	4.5
133.10101	43.9
135.08022	4.7
135.11700	16.3
141.06918	7.4
142.07767	16.3
143.08542	27.9
144.09251	7.9
145.08986	2.7
145.10095	47.0
147.08025	4.4
147.11693	13.1
147.42122	2.7
149.09624	4.5
151.01579	2.1
154.07729	5.1
155.08499	12.2
156.09344	10.4
157.10107	33.3
158.10849	5.0
159.07953	2.6
159.11671	33.6
161.09593	10.0
161.13165	7.2
163.11134	2.7
167.08479	5.4
168.09270	6.4
169.10124	17.9
170.10852	5.1
171.11664	21.4
173.09610	5.2
173.13254	16.7
175.14732	9.3
179.08463	5.6
180.09198	4.5
181.10123	11.9
181.80017	2.3
182.10818	5.8
183.11641	16.6
184.12425	5.0
185.09532	3.1
185.13214	12.1
187.11194	11.6
187.14772	21.4
189.12601	3.9
189.16237	3.1
193.10065	8.0
194.10892	5.1
195.11604	8.8
196.12364	3.4
197.13240	15.5
199.11119	4.0
199.14799	12.5
200.15482	2.6
201.12648	3.8
201.16348	3.8
205.10049	4.1
206.10812	2.6
207.11559	7.3
209.13200	13.7
210.13892	2.9
211.14819	10.4
213.12607	2.6
213.16232	5.8
215.14250	3.0
220.12424	4.5
221.13150	4.7
223.14655	6.0
225.16292	6.6
227.14189	2.5
229.15700	2.9
235.14682	8.2
237.16173	2.9
239.14151	4.1
239.17824	3.7
241.15842	3.2
241.19370	2.6
249.16348	5.2
253.15813	5.7
253.19411	4.4
265.19403	6.0
281.22571	11.3
291.21057	15.8
309.07315	3.0
309.18399	5.1
309.21979	99.1
310.22192	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	309.2418
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03928	7.5
54.97100	4.5
55.01847	8.5
55.05497	28.8
57.03408	21.2
57.07065	8.1
67.05501	64.5
69.07050	22.2
71.04950	9.3
71.08300	5.5
71.08617	57.5
77.67525	5.4
79.05479	59.5
81.03371	8.7
81.06597	7.9
81.07037	86.8
83.04951	12.9
83.08586	16.4
91.05464	36.5
91.77494	4.8
92.02994	4.7
93.07022	80.1
95.04930	16.0
95.08585	61.5
97.06508	13.4
97.10145	10.3
99.08067	55.4
99.09385	5.7
105.07014	24.8
107.04928	7.1
107.08578	34.1
109.06483	7.8
109.10162	25.6
111.08034	6.8
119.08546	25.9
121.10119	44.7
125.09601	6.3
129.07022	5.3
131.08559	9.2
133.10095	22.5
135.09062	5.9
135.11668	51.3
145.10135	8.8
147.11632	8.7
149.13229	10.9
151.11150	20.0
151.53453	4.9
159.11627	6.0
161.13217	12.0
163.11130	9.5
163.14748	6.0
177.12624	5.5
179.14285	100.0
183.11594	6.0
187.14938	8.2
189.12750	5.7
195.13762	6.5
203.14529	5.2
230.06290	7.5
259.20480	11.7
277.21576	59.6
291.23035	6.9
309.24344	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	309.2418
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	11.1
55.01854	5.4
55.05501	26.4
57.03156	1.9
57.03423	18.8
57.07075	9.4
59.04955	1.7
65.03928	4.1
67.05493	88.9
68.91347	1.2
69.03399	2.4
69.07058	33.5
69.40743	4.2
69.41167	10.0
70.04054	2.2
71.04977	4.7
71.08596	4.0
76.16688	1.3
79.05479	20.1
81.03397	20.8
81.07042	77.5
83.04968	7.2
83.08606	16.5
85.06516	2.8
91.05461	15.9
93.07014	14.4
95.04951	12.3
95.08586	65.0
97.02842	1.3
97.06511	3.8
97.10159	10.8
105.06995	11.3
107.04966	3.2
107.08562	9.7
107.19655	1.2
109.06484	5.3
109.10137	27.0
110.92205	1.2
111.08069	1.3
111.11693	3.6
113.06020	1.4
119.08533	11.8
121.06528	1.5
121.10116	5.9
123.08073	3.5
123.11650	6.5
131.08505	2.0
133.10097	12.7
135.08026	2.8
135.11646	3.2
137.09651	3.5
137.13255	3.1
145.10081	1.3
145.77014	1.3
147.11662	4.5
151.11115	5.5
155.06949	1.6
161.13289	2.8
169.12189	1.3
193.12236	1.4
203.35922	1.6
217.19481	2.1
235.20444	4.2
245.19081	1.4
246.48035	1.3
273.18466	4.2
291.19559	5.8
309.24203	100.0
310.24689	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2783
Annotation	Peregrinol (diterpene)
Peak:m/z	Relative Intensity
50.70887	1.4
52.81224	1.6
53.03912	2.1
55.01849	2.0
55.05504	23.2
57.03427	3.5
57.07064	13.2
59.04977	3.1
64.62952	1.9
65.03912	2.0
67.05496	33.4
69.03407	4.2
69.06686	2.7
69.07058	44.2
70.07369	1.6
71.04984	12.2
71.08627	3.5
71.15125	4.2
73.06545	1.5
75.81065	1.4
79.05482	17.0
81.07043	100.0
82.07363	2.7
83.08602	19.2
85.06543	14.2
91.05453	6.3
93.07034	22.6
95.04964	3.2
95.08593	87.4
96.08887	2.0
96.92081	1.5
97.06521	4.2
97.10157	9.9
99.08080	14.9
105.07003	6.8
107.04902	2.3
107.08577	22.4
108.08858	1.9
109.10143	57.7
111.08062	8.1
111.11689	7.7
111.85020	1.8
113.09644	2.4
119.08559	6.9
121.10121	17.6
123.11689	42.4
124.12035	1.7
125.09586	2.9
127.11161	8.2
131.08604	1.9
133.10132	6.2
135.11668	15.6
137.13237	18.3
139.11127	3.6
145.10080	2.3
147.04355	2.9
147.11690	6.7
149.13237	18.5
151.14772	9.0
153.12762	7.3
154.66502	1.6
155.14249	1.6
161.13232	5.2
163.14790	8.2
165.12682	1.5
165.16347	2.2
167.14330	3.4
177.16350	4.5
189.16385	3.1
191.17923	2.9
203.14192	1.5
203.17929	2.6
205.19530	3.7
217.19446	3.8
223.20570	4.3
265.25177	2.4
273.25711	6.6
279.26797	3.3
291.19482	2.0
291.23679	2.6
291.26801	13.8
309.10895	1.9
309.27789	22.6
333.61157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.45623	1.4
53.03941	2.4
53.56680	1.5
55.01871	1.6
55.05503	28.6
56.35029	1.3
57.03406	1.7
57.07066	22.1
59.04982	4.8
60.45997	1.2
62.74700	1.2
63.44367	1.3
63.55735	1.6
65.03912	1.7
67.05132	2.3
67.05495	33.7
67.62601	1.2
69.03410	5.2
69.07059	76.5
71.04987	9.1
71.08621	9.7
72.07417	1.4
73.06533	2.3
79.05487	17.1
81.07043	100.0
83.04990	3.3
83.08607	30.3
84.08117	3.6
85.06536	11.3
91.05460	7.9
93.07033	29.8
95.04965	3.3
95.08590	74.8
96.08910	1.7
97.06520	8.5
97.10155	10.8
98.20597	1.6
99.08061	12.0
105.07014	14.8
107.04958	1.4
107.08576	29.9
109.06510	3.1
109.10136	48.3
110.10452	1.9
111.08068	25.3
111.11690	6.3
111.92928	1.2
113.09611	2.7
117.06930	1.8
118.97627	1.5
119.08573	7.3
121.10119	21.9
123.08060	3.4
123.11686	46.1
124.11958	2.1
125.09621	5.3
125.13271	3.0
127.11208	3.4
131.08548	1.9
133.06528	1.6
133.10086	6.7
135.11690	19.4
137.09608	1.8
137.13232	18.0
139.11139	4.5
147.04388	2.2
147.11639	8.1
149.13237	15.0
151.11150	2.6
151.14818	4.3
153.12733	4.7
161.13274	3.7
163.14803	9.1
165.12735	7.9
167.14294	3.0
175.14804	2.3
177.16362	3.5
179.14262	1.6
182.15283	2.4
189.16341	2.4
191.17905	2.6
193.19467	2.4
195.17433	1.6
203.17946	2.4
205.19510	3.1
209.18889	2.1
217.19485	2.1
223.20514	2.9
273.25830	6.7
279.26569	1.7
291.23654	2.4
291.26736	15.2
309.11057	3.4
309.24493	2.8
309.27808	23.7
310.23871	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	309.2782
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03939	2.8
55.01852	7.4
55.05500	35.9
57.03431	1.6
57.07071	12.8
59.04984	5.2
65.03937	1.7
67.05495	41.9
68.05790	1.8
69.03420	5.4
69.07056	74.9
70.06579	2.9
71.04980	10.7
71.08260	1.1
71.08614	7.6
71.70241	2.4
73.06554	2.4
76.30767	1.0
79.05479	18.2
81.03397	2.9
81.07041	100.0
82.07374	1.8
83.04948	3.6
83.08601	37.1
85.02900	3.7
85.06522	17.9
85.10165	2.6
89.06047	2.0
91.05460	9.5
93.07027	38.4
95.04958	5.8
95.08590	95.2
96.08894	1.8
97.06516	8.7
97.10147	16.1
99.08079	10.3
105.07005	13.9
107.04942	2.1
107.08578	36.9
107.09338	1.8
108.47830	1.2
109.06499	4.6
109.10138	45.2
110.10487	1.7
111.08062	47.4
111.11716	9.0
113.09644	1.6
115.07567	1.6
117.06985	2.3
119.08569	10.1
121.06542	1.3
121.10126	23.6
123.08078	3.3
123.10765	1.6
123.11679	34.5
125.09599	7.3
125.13247	3.1
127.11190	2.6
129.07008	1.9
131.08583	2.3
133.10124	8.7
135.11674	17.9
137.09579	1.6
137.13217	15.8
139.11130	6.0
141.12724	1.4
143.08530	1.9
145.10143	2.2
147.04355	2.8
147.11681	8.2
149.13235	18.0
151.11171	3.0
151.14734	2.6
153.12740	3.8
157.10094	1.8
159.11697	1.7
161.13210	7.1
163.03859	1.8
163.14798	8.3
165.09149	2.0
165.12720	3.8
167.14275	2.5
169.12175	2.1
169.53529	1.4
175.14761	2.7
177.16396	2.9
179.17964	1.8
186.25198	1.2
191.17947	3.3
203.17944	1.3
205.19507	2.4
209.19022	4.5
217.19514	2.9
221.19029	1.5
223.20584	2.1
247.24178	1.6
251.95810	1.3
261.25809	2.6
273.25705	6.9
279.26871	5.0
286.18573	1.4
291.19427	1.9
291.26801	15.3
292.27008	2.3
309.07547	2.5
309.22308	2.7
309.27863	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	309.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01851	2.5
55.05504	23.0
57.03433	3.5
57.07055	7.3
58.13723	2.5
59.04969	4.4
67.05496	34.2
68.23663	2.1
69.03427	2.9
69.07057	35.5
70.04056	3.3
70.06554	3.6
71.04974	22.0
71.08613	4.1
71.69942	3.7
76.02193	6.7
79.05489	18.1
81.03412	4.0
81.07043	100.0
82.07353	2.7
83.04947	4.4
83.08595	18.7
84.04472	4.6
84.08121	3.1
85.02889	6.6
85.06519	10.0
91.05466	8.8
92.80289	2.6
93.07015	21.8
95.04932	6.9
95.08588	80.1
96.08915	2.2
97.02935	2.3
97.06492	6.5
97.10137	10.4
99.08073	5.5
105.07023	9.6
107.04917	8.0
107.08577	22.7
109.06503	5.6
109.10146	46.0
111.08029	3.6
111.11671	4.9
111.23410	2.4
114.07074	2.2
119.08521	5.5
121.10114	15.4
123.08064	2.9
123.11683	28.4
125.09564	3.2
131.08505	2.8
133.06479	4.1
133.10144	5.3
135.11665	10.3
137.05934	2.8
137.09596	3.7
137.13235	10.1
144.33295	2.9
145.10081	2.9
147.04405	3.5
147.11684	4.5
149.13216	10.7
151.14781	5.8
153.12720	3.2
157.10088	2.8
161.13097	3.6
162.06554	2.7
163.14790	6.4
177.16347	3.1
181.74495	2.5
183.56264	2.2
197.13179	2.6
205.19447	2.4
217.19482	4.5
263.07086	2.5
264.03714	5.0
273.18320	3.1
277.08478	3.7
279.06137	9.2
291.19629	4.1
291.26819	4.9
292.19705	2.6
309.05728	18.3
309.11060	3.9
309.16626	3.7
309.25159	2.5
309.27921	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	41.8
57.07061	44.9
61.49837	8.5
67.05498	49.5
69.07053	100.0
70.09447	30.9
71.08610	28.6
79.86527	8.4
81.07046	90.3
83.08611	60.9
85.06520	15.3
85.10165	11.2
93.07030	8.5
95.08590	88.3
97.10147	50.0
97.87083	8.1
98.21415	10.7
101.46674	8.5
109.10116	51.3
111.11692	29.0
119.87984	9.7
120.37266	8.0
123.11666	32.8
125.13198	16.0
138.45041	8.1
151.14758	8.8
153.05606	7.3
188.50806	8.3
235.08388	8.9
263.42825	7.1
309.29755	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	310.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21343	0.2
67.20569	0.3
69.03407	0.7
71.68555	0.3
71.68901	0.4
76.20557	0.3
80.05003	2.5
84.08120	0.4
95.01304	1.5
96.04489	2.3
97.02867	2.3
113.02357	1.3
118.39253	0.2
120.08073	0.4
121.71041	0.2
123.00792	1.6
124.03934	100.0
125.02331	0.5
125.04276	2.0
131.50291	0.3
141.01770	0.9
143.03397	1.2
147.42067	0.3
151.92711	0.3
169.01273	1.3
213.31204	0.3
227.88791	0.3
239.03268	0.3
259.94412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2523
Annotation	Holaromine
Peak:m/z	Relative Intensity
50.71153	0.4
53.03932	0.6
55.05491	2.1
57.07056	1.6
65.03918	0.6
67.05494	2.9
68.05010	0.5
69.07053	2.2
70.06582	6.5
71.32396	1.0
79.05480	5.9
81.07047	4.4
82.06562	0.5
83.07333	0.8
84.08110	0.7
91.05466	5.4
93.07034	6.2
94.06567	1.1
95.08579	0.9
96.08126	3.2
97.34723	0.5
101.98724	0.4
105.07015	6.9
107.08581	3.5
108.08085	1.3
109.08889	0.5
111.04388	0.9
117.07005	2.7
118.06480	0.5
119.08564	5.8
120.08081	1.5
121.10165	0.5
122.09647	6.1
128.06219	0.7
129.06998	5.6
130.07751	0.6
131.08554	7.6
133.10100	1.9
134.09607	1.1
135.11649	0.8
136.06212	0.5
136.11209	1.5
137.05997	1.1
137.11983	1.9
138.06273	1.5
139.06514	2.2
140.06749	2.0
141.06982	2.2
142.07713	0.6
143.08554	4.5
144.09335	1.1
145.10100	4.8
146.09583	3.1
147.10480	0.6
147.11642	1.2
148.11218	0.7
149.13257	1.2
150.12772	1.0
153.05408	0.9
155.08517	0.8
157.10089	4.8
158.09521	0.8
158.10796	0.7
159.11668	1.2
160.11168	1.7
161.13255	1.6
162.12704	1.1
169.10100	0.9
170.09607	1.2
171.11658	1.9
172.11147	1.1
173.11882	0.5
173.13243	6.3
174.12740	4.4
175.14821	1.3
176.14357	0.5
176.91283	0.5
184.11214	0.7
185.11896	0.6
185.13297	1.6
186.12753	8.7
187.13393	0.6
188.14346	1.9
190.15886	0.8
198.12746	1.9
199.14882	0.9
200.14232	0.9
209.11693	3.5
210.12723	0.5
212.14276	3.0
214.15909	0.9
224.14331	1.9
225.15086	0.7
226.15884	5.0
228.17407	2.3
237.11240	2.8
238.15880	1.5
240.17473	4.7
241.18068	1.2
252.17438	2.8
253.18300	0.7
254.19002	1.9
255.12317	0.5
255.19708	0.5
266.19006	1.5
280.20578	3.3
281.21268	0.9
308.23514	0.9
310.25235	100.0
311.12540	0.5
311.25500	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	311.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
56.05014	1.5
56.96545	4.2
57.03424	2.2
61.86320	0.9
65.38772	0.9
66.63017	1.0
67.05482	1.9
69.03403	2.0
69.07037	2.2
70.06573	3.0
71.04987	1.2
71.67747	1.5
79.05482	1.6
81.03391	2.0
81.07031	2.8
84.04474	1.5
84.08153	1.7
85.02885	2.3
85.07649	19.7
91.05444	2.5
93.06998	1.0
95.04954	2.3
98.97585	1.3
107.04948	1.3
109.06528	2.0
120.06815	1.2
120.08068	1.3
123.04428	2.0
124.03926	1.4
127.03931	1.5
133.07607	10.9
135.04387	1.3
136.07555	1.1
136.85101	1.2
137.05951	1.3
140.04208	1.1
147.04355	1.2
148.06302	2.0
149.07108	1.4
161.07082	100.0
162.07719	3.4
163.03922	2.7
164.07140	1.1
164.57870	1.0
165.00623	1.2
173.07098	2.9
173.10660	1.7
174.07858	1.4
175.08624	6.8
177.05539	2.1
180.08714	1.1
181.08553	1.6
183.09196	2.1
187.08701	2.0
189.06599	1.9
191.08147	7.4
191.21268	1.1
195.14651	1.1
197.01237	1.4
201.10204	14.1
203.08167	2.3
205.09766	1.4
222.11195	3.2
223.04167	5.0
227.08083	3.2
229.09749	6.5
237.02954	1.2
239.08260	2.0
245.09210	17.2
257.09174	26.6
268.11761	13.0
275.10257	13.3
293.11282	13.8
305.73395	1.2
311.05551	2.2
311.12308	6.9
311.16034	6.5
312.26376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07304	1.2
55.01857	3.2
58.27964	1.2
61.83913	1.4
67.05476	2.5
69.07011	1.4
70.06573	1.8
70.83266	2.4
72.71109	1.3
79.05470	5.2
81.07027	4.8
91.05471	6.7
93.07040	1.9
94.04155	5.6
95.04948	4.7
95.08588	2.6
96.04411	1.5
97.06508	1.5
103.05450	2.2
105.07024	9.6
107.04945	3.1
107.08569	1.8
109.06495	7.8
115.05432	3.5
116.06216	1.3
117.07005	2.1
119.08598	1.5
121.06494	2.6
121.10144	1.6
122.03622	10.8
123.08043	1.5
124.03933	33.0
128.06197	3.5
129.06981	5.9
131.04910	2.2
131.08574	2.1
133.06450	4.6
137.05952	100.0
138.05450	2.7
139.05356	1.3
144.05699	4.2
145.06493	3.3
149.05951	6.3
155.04951	6.9
155.05992	1.3
159.08037	8.8
161.05942	10.9
163.03862	1.8
165.06966	3.3
171.04459	1.5
172.05185	4.7
175.07510	4.1
176.84706	1.2
179.08513	3.2
180.09282	2.3
181.06450	2.0
182.04283	1.4
187.07515	26.6
189.06960	6.2
190.07742	25.8
191.08530	55.7
192.08899	2.0
202.07785	1.6
203.08562	2.0
203.32121	1.4
205.06465	3.6
207.08049	7.2
208.08823	10.4
218.07230	15.2
219.08020	72.5
220.08731	7.9
221.05927	3.4
223.11238	1.4
225.09140	2.3
233.09575	1.5
235.07452	10.1
236.08293	15.1
237.05473	5.1
237.09035	3.6
237.14867	2.2
246.06335	1.4
247.07530	32.4
247.10100	1.8
248.08153	5.3
249.05531	1.3
249.09189	1.9
251.10640	96.8
252.10939	4.4
253.08528	9.0
261.09171	2.7
263.06949	3.3
264.07755	9.9
265.04898	4.4
265.08438	4.4
266.05582	2.5
268.11093	2.5
276.23172	3.4
279.10114	70.8
280.10696	7.1
281.08063	15.2
283.06046	2.5
283.13400	1.8
293.04395	3.0
294.24274	3.6
295.09650	1.7
296.10303	10.9
311.05466	35.2
311.12741	71.1
312.05792	2.3
312.10474	9.8
312.13779	2.4
312.25357	15.9
326.82724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03933	1.3
53.66676	1.2
55.01850	2.9
55.05502	1.5
57.80175	1.3
66.24586	1.1
67.05479	3.8
69.03418	1.5
69.07049	2.8
69.87030	9.5
71.04978	1.6
79.05486	6.8
81.07053	10.0
83.04958	2.0
89.22300	1.4
91.05466	7.8
93.07018	4.7
94.04155	4.2
94.06554	1.2
95.04938	4.3
95.08577	5.1
98.20728	1.3
99.08104	1.6
103.05431	6.3
105.07018	16.5
107.04917	5.8
107.08569	2.9
109.06503	7.4
109.10152	3.4
115.05428	4.0
116.06202	1.7
117.06947	1.8
119.04916	1.5
119.08514	2.1
121.06480	12.5
121.10148	2.0
122.03648	10.3
123.04359	1.5
123.11674	1.4
128.06192	4.5
129.06967	6.0
131.04852	3.0
131.08534	2.6
132.98233	1.2
133.06438	9.1
133.10010	2.6
135.08044	10.4
137.05948	100.0
144.05649	5.4
145.06409	3.5
147.04398	1.6
147.08023	2.5
149.05946	4.8
155.04834	9.1
157.06424	1.6
159.08025	12.4
160.05099	1.9
161.05942	19.0
163.07446	2.7
165.07002	4.0
172.05157	3.6
173.05869	1.7
175.07542	4.9
187.07506	30.3
189.05389	5.6
189.07004	5.8
189.08867	1.4
190.07745	30.0
191.08527	53.0
192.08897	2.4
195.07980	1.5
202.07849	2.5
203.06908	4.1
203.08604	1.7
205.06512	3.8
207.08032	7.5
208.08771	8.0
218.07205	15.6
219.08011	68.0
220.08604	8.9
221.05907	2.2
223.11122	2.6
233.09671	3.2
235.07446	8.9
236.08302	16.0
237.08914	3.9
239.10660	3.5
246.06720	1.9
247.07521	25.1
248.08282	4.7
249.09134	2.1
251.10634	96.0
252.11040	4.2
253.08502	5.5
261.09064	4.0
263.07028	2.1
264.07745	9.2
265.08664	4.2
265.12091	2.6
267.10132	3.0
268.10944	2.0
277.08475	1.5
278.09225	1.6
279.10114	67.2
280.07739	1.4
280.10678	8.5
281.08051	7.5
283.09763	2.3
283.13211	2.9
293.22955	6.0
295.09503	1.9
296.10376	10.2
311.09592	2.9
311.12704	72.4
311.24121	12.2
312.13025	5.4
312.25208	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	311.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10829	0.9
53.03935	1.0
55.01865	4.5
55.05475	2.3
55.50483	0.8
56.05034	4.4
56.96304	1.3
56.96559	16.6
57.03428	4.1
57.72310	0.8
58.06578	2.1
61.02901	2.9
67.05473	2.5
69.03426	5.1
69.07068	4.0
70.06575	2.1
70.43204	3.6
70.98082	1.0
72.08117	1.1
73.02885	2.1
73.22408	0.8
74.97631	0.8
79.05482	4.6
81.03391	2.7
81.07043	6.4
83.04942	1.3
83.08607	0.8
84.04473	3.0
84.08114	2.7
84.09651	0.9
84.96012	1.6
85.02895	11.4
85.07652	100.0
86.09666	2.6
89.03892	1.6
91.05467	4.3
92.04990	2.0
93.07024	4.9
94.06525	1.5
95.04948	4.0
95.08563	1.2
97.02864	3.3
97.06502	2.5
98.97564	8.5
100.35651	0.8
101.07121	1.7
103.03908	1.3
105.07044	1.1
107.04903	2.8
107.08553	2.5
109.06512	4.0
109.07130	0.8
109.10045	0.8
110.06039	1.6
110.07136	1.4
110.09716	0.7
110.97582	1.2
111.04414	2.3
111.08050	1.3
112.99078	2.8
116.98601	8.9
117.03367	1.0
117.07020	1.0
119.01814	1.4
119.04936	1.4
119.08577	0.8
121.06478	3.2
123.04404	2.1
123.08039	1.2
127.03896	1.3
128.98575	1.8
130.93256	1.9
131.00175	6.4
132.04391	0.9
132.08051	2.6
134.99628	5.8
135.04362	4.7
135.08022	2.7
136.06285	1.0
136.07533	2.3
137.05933	1.3
137.09557	1.9
138.09140	1.1
139.03882	1.6
139.07573	4.6
139.08545	1.3
143.00133	1.5
144.98007	0.9
145.02835	1.3
145.06479	0.8
146.99551	2.5
147.04337	2.0
148.94289	1.1
149.01192	7.4
150.05432	1.7
150.09087	3.8
151.07452	0.9
152.06967	0.8
158.99609	1.0
161.01161	2.2
163.02650	1.2
163.03889	15.7
163.07509	2.5
165.00639	2.1
165.10298	1.2
167.02243	1.3
169.00052	0.8
170.99620	1.2
172.94266	2.1
174.00659	1.6
175.02696	1.3
176.02246	0.9
176.93787	1.0
177.00661	2.3
177.04291	1.1
179.08195	1.1
180.06433	1.8
180.07198	0.8
180.08765	10.0
181.07199	1.6
181.08585	8.2
181.13347	3.1
183.01843	0.9
189.00668	1.3
190.95328	4.5
192.06493	3.4
192.08138	0.9
192.53018	1.0
193.00313	0.8
193.03848	1.8
193.10989	1.8
196.99455	0.9
199.09625	7.5
201.00620	1.2
205.00188	1.0
208.96359	1.5
210.13634	1.5
211.02798	1.1
211.04892	1.3
214.03757	1.0
216.98618	1.2
219.01689	1.0
220.54112	1.9
221.04323	0.9
221.12733	1.4
222.11218	19.6
223.01091	1.1
229.54852	1.8
232.96352	1.5
233.12820	1.0
234.99699	2.1
237.02669	1.9
239.13905	2.1
243.12358	0.9
247.14490	2.0
248.95912	1.6
249.06314	1.2
265.15353	2.4
268.11774	6.7
271.97543	1.0
275.13934	0.9
286.98450	1.3
293.14914	8.3
294.13297	16.7
296.66464	1.0
311.05850	1.8
311.09811	1.2
311.12750	1.3
311.15909	31.2
312.14148	2.0
329.15414	0.8
330.07077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01865	8.6
55.05490	11.0
57.07059	22.8
67.05486	31.5
69.06731	3.8
69.07045	24.5
69.42780	18.5
69.43210	25.0
79.05460	20.1
81.07043	33.8
83.04958	11.3
83.08601	7.2
91.05444	20.9
93.07030	21.9
95.04943	7.3
95.08583	24.0
97.06545	8.7
102.04874	3.5
105.07019	18.9
107.04937	13.0
107.08554	14.6
109.06496	7.5
109.10139	7.0
111.04420	17.3
111.08045	4.1
115.05515	4.0
119.08565	14.2
121.06471	6.3
121.10119	11.2
123.04385	5.5
123.08063	4.9
131.08536	12.5
133.10103	20.4
138.99408	12.4
140.99149	12.6
145.10124	8.4
147.11655	9.5
149.09586	7.8
151.11185	5.6
153.05478	9.3
156.02100	17.2
158.01790	14.8
159.11670	5.6
163.11171	9.0
181.12181	5.9
189.12933	4.8
191.10703	9.7
201.12900	4.4
209.11703	63.4
237.11194	45.6
239.65457	4.3
255.05440	4.1
255.12230	13.6
257.19016	7.6
275.20026	100.0
293.21039	36.2
294.08484	4.5
311.12778	6.6
311.25909	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	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03934	6.6
55.01866	32.2
55.05504	55.9
55.80114	3.4
57.03418	5.7
57.07056	10.3
67.05492	50.1
69.03429	6.0
69.07061	27.9
70.02253	11.6
70.02663	6.2
71.04980	15.2
79.05481	57.8
80.04033	3.0
80.52816	3.0
81.03410	6.6
81.07048	80.0
81.62730	3.3
82.57065	3.7
83.04971	29.2
83.08601	34.9
85.02895	3.6
85.06498	6.7
90.76984	3.5
91.05469	41.4
93.07043	44.4
95.04977	17.9
95.08594	44.3
97.06520	38.0
97.10146	46.8
98.20723	4.2
103.05441	6.6
105.07009	28.7
107.04925	21.2
107.08578	100.0
109.06502	8.0
109.10148	23.0
111.04407	10.0
111.08089	11.0
113.06005	11.2
117.06996	9.3
119.08582	18.1
121.06489	12.3
121.10102	13.5
123.04418	21.1
123.08060	6.5
123.11699	7.9
123.47333	3.2
125.05956	13.5
125.09615	84.3
129.06975	6.5
131.04906	11.8
131.08514	16.8
133.10100	18.7
135.08058	8.6
135.11674	14.3
137.06027	4.4
137.09601	5.2
137.13202	5.3
139.07555	4.3
139.11197	7.8
143.08467	5.4
145.06490	4.3
145.10112	15.9
147.07942	4.0
147.11693	15.1
149.05966	12.5
149.09599	14.4
153.12729	17.7
157.10115	5.7
159.11697	14.4
161.05959	9.6
161.13181	5.7
163.11174	18.9
167.10696	5.0
171.11652	6.2
173.13229	6.7
175.07634	5.3
177.12680	11.8
181.12184	5.0
189.11197	34.2
193.12259	3.9
195.13782	7.4
201.09088	7.4
205.12267	7.1
211.13223	7.1
213.14853	7.2
223.13222	18.2
257.19107	8.3
275.20056	67.2
278.29102	4.5
293.21036	56.3
311.09055	4.4
311.12772	11.0
311.16354	12.9
311.19833	6.0
311.23703	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.18455	0.9
51.83350	0.8
53.03922	1.7
54.44527	0.8
55.01843	2.5
55.05502	66.5
55.89182	0.9
57.03167	1.8
57.03428	25.6
57.06800	1.9
57.07066	30.8
63.54957	1.1
67.05492	8.6
69.07057	76.6
70.94705	2.9
71.08617	19.7
73.02895	1.5
73.06531	1.1
79.05478	5.6
81.07042	13.2
83.04945	1.5
83.08607	61.7
84.08963	1.0
85.06546	2.0
85.10177	8.5
85.12778	0.9
92.82277	0.9
93.07027	7.4
95.08582	10.1
97.06516	5.6
97.10152	44.0
98.10482	1.3
98.21120	1.7
105.07052	1.1
107.08562	5.8
109.10150	5.4
111.08073	2.3
111.11700	12.4
121.10121	6.5
123.11658	1.9
125.09592	2.0
125.13232	3.2
135.11652	4.4
137.13225	1.3
149.13243	2.8
154.43773	0.8
163.14745	1.4
167.51912	1.0
219.21036	1.9
237.22121	1.4
311.25757	100.0
312.26031	6.1
331.37555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01855	2.4
55.05500	65.8
57.03170	1.3
57.03426	24.2
57.07063	31.6
67.05488	9.4
69.07054	69.2
70.08528	6.2
71.08622	19.0
73.02896	1.4
79.05477	5.3
81.07044	12.4
83.04949	1.8
83.08602	60.6
84.08955	1.0
85.06523	0.9
85.10159	7.2
89.59385	0.9
91.05477	1.1
91.83406	1.1
93.07030	8.2
95.08588	8.4
97.06499	6.5
97.10148	43.5
98.21082	2.9
107.08563	5.5
109.10129	3.5
111.08052	2.7
111.11699	12.4
121.10126	6.4
123.11671	3.0
124.01669	1.0
125.09610	1.2
125.13212	2.8
127.63051	1.3
135.11641	4.6
137.13208	2.0
139.11189	1.9
144.13158	1.0
149.13217	2.7
163.14845	1.4
181.15958	0.9
209.11807	1.3
216.47250	1.0
219.21008	2.2
233.39487	1.0
235.56506	1.2
260.58609	1.0
300.40988	1.0
301.19861	1.1
311.25735	100.0
312.26172	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.01856	5.6
55.05503	47.0
57.07064	20.4
67.05492	39.7
67.14365	2.9
69.03402	7.0
69.06690	5.0
69.07058	100.0
69.38029	22.2
69.38446	7.1
71.08614	10.8
73.06520	3.8
79.05483	15.4
81.03406	4.0
81.07045	77.0
83.04974	36.2
83.08601	49.9
85.02885	3.3
85.06531	18.8
91.05459	11.4
93.07034	29.9
95.04939	5.5
95.08592	79.9
97.06509	8.3
97.10163	19.1
99.08069	14.3
105.07009	12.7
107.04907	7.7
107.08577	21.7
109.06522	3.7
109.10149	43.1
111.08083	18.5
111.11707	11.3
117.06995	3.1
119.08538	4.2
121.10149	16.4
121.56213	3.0
123.04394	3.8
123.11695	30.1
125.09612	6.1
125.13249	5.9
133.10139	3.3
135.11659	8.5
137.05954	6.6
137.13246	13.6
143.08476	4.7
145.10078	8.4
147.11700	7.8
149.13245	15.8
151.14745	3.2
153.12843	2.8
157.10146	2.8
159.11568	4.5
163.14784	6.3
165.16295	3.7
166.21027	2.7
167.14337	5.1
169.10126	3.0
177.16499	4.3
183.11678	4.0
191.08379	2.9
199.14861	4.0
251.10669	3.6
251.14256	3.6
275.20215	3.8
279.10126	5.3
293.28391	21.5
311.09317	4.6
311.12634	10.4
311.19620	3.3
311.23428	8.3
311.29315	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	312.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
53.37574	0.3
55.05505	2.2
56.05030	1.8
57.03419	0.9
65.03922	0.5
67.05494	6.2
68.05029	2.3
69.07062	1.9
69.41350	3.1
70.06574	1.1
71.04983	4.3
79.05481	1.4
80.05013	1.7
81.07044	3.1
82.06568	2.0
83.08575	0.8
84.08124	1.1
91.05479	1.6
91.29595	0.3
93.05784	0.5
93.07028	1.1
94.06551	3.2
95.08596	2.9
96.08106	1.8
97.10175	0.3
99.08064	0.5
105.07034	0.8
106.06525	0.9
107.07333	1.7
107.08568	1.1
108.08107	3.1
109.06458	0.3
109.10133	0.8
110.09698	0.6
112.07602	0.5
119.08556	0.7
120.08081	1.7
121.08891	0.7
122.09650	0.7
123.11667	0.5
124.11149	0.4
125.27770	0.3
131.08580	0.3
133.10095	0.6
134.09636	1.0
135.11584	0.3
136.11211	0.3
137.09624	0.3
140.63232	0.3
147.11740	0.4
148.11279	0.5
150.12744	0.3
167.69922	0.3
169.12419	0.3
190.15854	0.4
210.18460	0.8
238.21667	1.2
250.21577	3.8
258.22015	0.3
262.21567	2.2
264.23236	3.5
266.24741	2.8
274.21448	0.3
276.23203	12.6
277.23480	0.8
294.24246	11.8
295.24741	0.4
312.25287	100.0
313.10541	0.3
313.25601	5.0
329.74533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0548
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
53.03933	1.6
53.91376	1.2
55.01862	15.3
55.05504	1.1
56.96549	1.9
57.03419	2.2
57.07069	3.4
61.02919	7.0
65.03924	3.5
67.01847	1.3
67.05486	3.6
68.99761	5.4
69.03414	4.8
69.07042	1.5
70.06580	1.4
70.25332	3.9
70.25764	2.1
70.88453	1.2
71.01336	1.2
71.08619	3.4
72.08157	1.5
77.03906	1.1
79.01816	2.6
79.05484	3.4
81.03407	3.3
81.07039	2.4
83.01310	2.3
83.04971	1.2
83.08591	1.3
84.08114	1.6
85.02895	3.2
85.10176	1.6
85.34667	1.1
91.05447	1.4
93.03397	3.0
95.04958	3.1
95.08602	2.5
97.02898	2.8
98.21368	1.2
99.00790	1.9
103.05446	4.5
105.03387	1.5
107.04936	5.5
109.02859	13.0
111.04428	2.7
119.04899	1.6
121.02875	5.4
121.39611	1.0
123.04412	4.3
127.03912	1.6
131.04897	3.6
133.02834	4.0
135.04393	9.1
137.02316	16.4
139.03876	17.3
141.01785	11.6
143.00156	1.9
147.04413	5.1
148.05104	1.1
149.01115	1.3
149.02307	26.5
149.03407	1.7
149.05984	4.6
151.03880	30.2
151.05043	1.8
151.07568	1.3
159.04375	2.4
161.01164	2.6
161.02350	2.5
161.05969	1.4
163.03885	17.6
163.07512	1.3
165.01810	82.6
166.02209	1.8
167.03415	2.0
175.03877	3.7
177.00485	0.9
177.01805	29.1
177.05455	9.9
179.03362	22.0
183.02870	100.0
184.03235	2.9
187.03973	1.3
189.05452	1.3
191.03374	16.8
193.01241	1.4
193.05025	1.8
195.02928	2.2
195.18324	1.1
203.03358	2.9
205.01239	6.0
205.04947	13.2
207.02872	6.7
209.04378	1.7
215.03441	2.3
221.04385	14.8
223.02321	40.4
225.03949	1.3
231.02853	1.5
233.04388	36.3
235.02325	7.3
244.51057	1.1
249.03912	23.0
249.06189	2.0
267.04984	29.9
277.03415	32.6
295.04404	35.4
296.04916	1.6
313.05508	25.2
313.14365	1.6
313.27390	5.3
317.14777	1.2
327.56268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0547
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	13.4
57.03394	1.4
57.07050	1.9
59.55771	1.5
61.02919	7.3
65.03918	4.1
67.05474	1.7
68.99784	4.9
69.03420	5.8
69.07046	1.3
70.06569	2.2
71.08605	1.8
71.25620	2.3
77.47389	1.3
79.01825	2.1
79.05453	2.0
81.03402	5.3
81.07032	2.6
83.01332	2.3
85.02910	1.9
91.05476	2.2
92.99762	1.4
93.03368	1.8
95.04954	2.4
97.02847	1.6
99.00764	1.6
103.05447	2.4
105.03378	2.2
107.04943	2.8
109.02863	9.6
109.03493	1.6
111.04423	1.6
121.02843	8.0
121.06534	1.4
123.04404	3.0
127.03905	3.1
129.10268	1.3
131.04938	1.8
133.02814	4.6
134.17973	1.5
135.04390	9.1
137.02307	15.1
139.03874	16.3
141.01767	10.8
143.00055	1.2
147.04378	4.4
149.02309	22.7
149.05934	3.9
151.03870	26.5
151.05051	1.8
159.04378	1.8
161.02292	2.0
163.03882	15.4
165.01805	95.7
166.02242	2.8
175.03851	2.6
175.08701	1.6
177.01808	25.8
177.05411	14.9
179.01793	1.7
179.03351	25.2
179.04820	1.8
183.02859	100.0
184.03169	2.3
187.04008	1.7
191.03351	16.8
193.04866	1.7
194.65202	1.3
195.02849	1.4
203.03336	3.3
205.01276	7.5
205.04926	14.6
207.02869	6.9
215.03430	3.5
221.04413	18.1
223.02328	30.5
231.02904	1.9
233.04410	29.9
234.04813	1.6
235.02257	6.2
249.03909	22.6
267.04980	31.7
277.03372	37.9
294.13080	1.2
295.04416	29.4
296.04752	1.2
313.05463	18.9
313.27307	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.07
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32837	2.8
56.96272	5.6
56.96555	96.3
57.03424	6.5
57.07047	9.0
65.03932	4.1
67.05476	4.2
69.03403	5.3
69.07026	3.3
69.64175	13.6
69.64601	11.3
70.06580	16.8
71.08635	4.1
71.13918	3.0
72.08131	4.6
73.02904	4.4
74.97585	5.2
81.07048	3.9
83.04968	4.5
83.08610	3.6
84.04480	4.2
84.08135	16.5
84.96017	8.9
85.02892	9.9
85.07669	3.2
86.09648	4.0
89.03883	3.6
91.05467	9.0
95.04934	5.4
95.08587	3.8
97.02886	20.7
97.99168	4.3
98.21533	3.6
98.97566	34.7
103.05455	5.8
109.06467	2.9
109.10124	3.8
110.07123	6.8
111.04449	17.8
115.00513	2.6
116.00230	4.4
116.98595	31.5
123.04430	6.3
124.99129	11.9
127.03880	3.5
128.98599	5.5
129.10190	3.5
130.93234	5.6
131.00153	8.3
131.04880	3.4
134.99620	18.0
135.04382	13.0
136.06169	37.6
137.05945	3.6
139.03905	26.0
143.00134	61.5
145.01677	3.9
146.99637	6.1
147.03276	5.5
147.04398	4.0
149.01166	6.7
150.05473	5.3
150.99037	3.5
151.03871	7.0
151.05875	5.1
152.07034	6.1
159.03296	6.6
161.01193	85.8
163.03868	24.4
165.00630	3.5
165.01875	4.7
166.01807	3.2
169.00211	3.3
170.99606	11.4
172.94249	4.2
176.04578	3.7
177.00618	7.0
177.04314	3.6
179.02240	9.4
180.08791	17.5
181.09186	14.6
183.02992	3.6
185.01163	19.5
187.02756	5.1
189.00659	22.3
190.95370	7.6
203.02231	9.5
207.01758	5.1
208.96503	5.6
213.00681	8.9
218.04892	4.2
219.01785	3.9
223.04993	4.0
231.01756	10.6
232.96419	10.8
237.00662	5.5
248.99080	3.6
249.02776	55.4
250.97430	9.3
255.01419	3.3
262.03784	3.4
267.03845	100.0
272.04349	26.2
285.04852	44.2
290.05441	22.5
307.95990	4.0
308.06711	4.0
313.06815	4.8
313.14511	8.9
313.27298	11.7
314.09018	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	313.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
55.05499	15.4
57.03419	10.6
57.07058	12.8
58.99566	7.0
67.05508	7.7
68.05022	11.7
69.03415	9.7
69.07056	8.3
69.94815	5.3
70.05048	33.7
70.06584	25.4
70.91602	5.2
71.04947	5.3
71.08621	6.0
72.08142	7.1
76.04342	5.6
79.05487	23.7
80.05033	6.1
81.07048	79.4
82.06554	15.0
83.08614	7.8
84.04492	52.3
84.08111	11.1
85.01089	6.4
85.02875	6.3
85.06538	5.2
86.00652	28.7
86.09704	8.6
89.03904	10.1
91.05490	8.8
93.07027	6.3
94.06525	15.3
95.04940	10.2
95.08585	8.3
96.04494	11.2
98.71653	6.4
103.05470	16.5
105.07001	13.6
107.04955	16.5
107.08562	7.2
112.07596	6.5
113.04198	15.6
114.05504	38.8
116.10724	5.3
116.43781	5.6
117.03333	7.6
119.04952	7.2
121.02815	5.9
122.09692	12.0
123.04424	22.0
124.11213	20.1
130.05013	21.8
131.04907	7.4
133.51228	5.4
135.04396	22.1
135.08069	10.2
136.07567	6.0
137.05983	8.2
139.03847	8.6
140.07040	7.9
141.04800	8.9
142.04942	45.0
145.02762	6.4
147.04448	8.4
151.03897	43.3
153.06589	6.4
156.06546	8.3
156.08391	69.8
156.09558	6.8
162.06792	7.0
163.03882	81.6
163.07439	8.7
165.07016	8.1
168.06561	20.4
172.04263	15.1
187.05350	7.7
187.76338	5.8
209.02899	6.8
210.11241	100.0
210.23245	5.4
215.04816	22.2
221.05945	6.0
223.07684	6.7
239.06844	8.3
285.07590	7.4
296.09079	6.3
312.32620	5.9
313.03629	8.2
313.06952	39.0
313.12427	29.9
313.18048	7.2
313.21628	6.4
313.27197	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	313.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.8
55.39580	5.5
56.96549	8.7
57.01918	4.5
57.03417	7.8
57.07057	8.1
57.49995	4.2
58.99572	6.1
61.86694	4.4
65.69556	4.8
67.05482	14.2
68.05009	9.7
69.03405	9.5
69.70898	27.6
69.71312	8.7
70.06588	24.2
71.08604	5.2
72.08141	7.1
79.05490	22.4
79.22517	4.3
79.81995	6.1
80.04989	8.6
81.06611	5.9
81.07041	66.0
82.06535	8.7
83.04971	5.0
84.04496	45.3
84.08128	9.3
85.01075	5.9
85.06552	6.4
86.00623	27.4
86.06042	8.1
86.09728	7.2
86.12053	4.9
89.03885	11.6
91.05462	9.4
93.07012	5.9
94.06539	11.7
95.04958	9.1
95.08574	5.7
95.76933	4.8
96.04468	4.8
96.08087	5.1
96.66138	4.3
98.06026	6.6
103.05439	10.7
105.07024	6.6
107.04919	19.3
111.04408	6.8
111.11626	4.2
113.04244	7.6
114.05498	19.9
117.03403	10.2
119.04861	9.3
122.06018	7.7
122.09645	6.0
123.04395	19.3
124.11166	12.5
127.03911	8.8
130.04955	19.2
134.77573	4.4
135.04366	23.9
135.07997	5.4
137.02342	5.6
137.05919	7.3
139.03847	5.4
141.04736	4.5
141.99924	4.6
142.04970	37.6
143.00098	8.9
145.02827	17.2
147.04382	16.7
149.05949	6.0
151.03876	37.2
156.08424	45.7
161.01169	7.9
161.05975	5.5
163.03874	82.7
163.07491	7.0
168.06519	19.0
172.04214	9.0
176.04561	5.7
199.76917	4.8
206.76727	4.6
209.02730	5.8
210.11244	100.0
215.04817	17.9
249.02663	6.7
253.08589	6.4
267.03824	7.8
285.04111	6.6
285.07437	4.9
313.03839	5.6
313.07031	17.0
313.12210	25.3
313.17905	5.6
313.27457	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	313.1793
Annotation	Centrolobine
Peak:m/z	Relative Intensity
53.03925	2.6
55.01846	2.4
55.05479	2.5
57.03407	1.6
57.07050	2.4
67.05487	8.3
69.03409	3.1
69.07060	5.7
70.06559	2.1
71.04959	1.3
71.08605	2.7
79.05479	8.0
81.03406	30.9
81.07035	12.6
83.04952	2.8
83.08578	2.3
84.08125	0.9
85.06496	1.1
91.05466	14.9
92.05758	1.1
93.07027	19.2
95.04958	16.0
95.08591	9.9
97.02838	1.0
97.06519	2.1
97.10134	1.1
98.09663	1.1
99.08104	1.1
101.02352	0.9
103.05445	3.6
105.06331	1.6
105.07012	22.2
106.07297	1.2
107.04948	7.4
107.08575	12.8
109.06485	4.6
109.10153	8.8
111.04369	0.9
115.05411	1.4
116.10708	1.2
117.06979	5.7
119.04906	2.7
119.08554	10.8
121.06488	9.6
121.10088	5.3
123.04396	1.3
123.08019	4.7
123.11689	1.7
125.05988	1.6
127.03816	0.8
128.06244	1.9
129.06970	2.9
129.70679	0.9
131.04909	3.8
131.08537	13.2
133.06470	9.8
133.10126	5.5
135.08017	3.8
135.11690	1.3
137.05960	4.8
137.09587	6.0
139.07513	0.9
141.06915	1.9
142.07748	3.3
143.08560	6.8
144.09378	1.2
145.06470	4.2
145.10106	10.1
147.04385	9.0
147.08020	6.7
147.11658	4.3
149.05946	11.9
149.09610	5.5
149.13248	1.5
151.03902	8.1
151.07520	1.9
151.11156	3.5
154.07681	1.1
155.08516	5.6
156.09297	1.3
157.06447	1.1
157.10106	7.5
159.07974	4.0
159.11674	6.9
161.05966	1.7
161.09595	4.0
161.13220	1.0
163.07529	5.3
163.11273	1.1
165.06918	2.1
165.09097	2.3
166.07651	1.5
167.08536	2.9
168.09346	1.0
169.06570	1.0
169.10085	5.6
170.10825	1.3
170.15335	4.0
171.08037	3.4
171.11642	4.1
173.05882	1.1
173.09598	3.2
173.13203	3.4
175.07558	2.6
175.11203	4.1
176.04729	0.9
177.09079	1.0
177.12695	3.6
178.07826	1.5
179.08517	2.9
181.10072	3.0
183.08049	1.9
183.11636	5.6
185.09518	2.3
185.13205	2.7
187.11153	2.9
187.14673	0.8
189.09143	1.3
189.12692	2.4
191.64470	0.9
193.10124	3.7
194.10771	1.2
195.07927	1.1
195.11673	3.9
196.08586	0.9
197.09578	2.8
197.13228	3.8
198.10413	1.1
198.14828	6.0
199.11124	1.4
199.14781	2.0
201.09129	1.8
201.12756	1.7
201.98683	0.9
205.12238	1.5
207.11751	2.2
209.09525	1.0
209.13103	2.5
211.11127	6.5
211.14777	2.3
213.12593	1.4
214.18018	2.6
219.13869	1.9
221.09637	4.2
223.14780	2.1
224.11873	1.2
225.09200	1.5
225.12729	3.3
225.16333	2.6
226.14294	2.4
227.14352	1.1
229.12366	1.2
231.13728	1.9
239.10591	7.6
239.14310	1.8
239.17879	5.9
249.16382	5.1
251.18050	1.0
253.15927	2.6
255.13426	1.0
257.11642	3.2
267.17392	19.3
268.17850	0.9
269.18933	1.5
277.15878	2.7
285.14645	1.3
285.18442	1.2
295.10400	1.3
295.16885	22.6
295.24225	1.8
296.17215	1.3
298.10748	2.1
313.11160	3.4
313.17938	100.0
313.21307	5.0
313.24963	8.2
314.13834	2.6
314.18268	5.2
314.26721	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	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	0.8
55.05499	8.8
57.03427	19.0
57.07065	58.6
58.07364	0.7
67.05493	13.3
69.06690	0.9
69.07055	12.3
71.08617	36.5
72.72836	0.6
75.72630	0.6
79.05482	1.9
80.69421	0.6
81.06608	1.1
81.07043	16.6
83.04927	0.8
83.08607	12.3
85.09676	1.4
85.10168	22.2
87.04462	0.7
89.06016	3.3
93.07018	1.3
94.23180	0.6
95.08006	1.3
95.08588	23.2
97.10162	7.1
98.21282	3.1
99.11703	1.6
103.07576	2.1
107.08591	0.9
109.10140	11.0
111.11697	1.0
113.13232	0.8
119.08575	0.7
121.10099	0.7
123.11694	5.2
125.09567	0.8
135.11646	1.2
137.13226	1.5
151.03839	0.7
151.14732	0.7
221.22696	0.9
239.23618	4.8
257.24719	5.3
272.31796	0.8
275.25806	0.8
309.96741	0.6
313.27310	100.0
314.13791	1.9
314.27606	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.8
57.03430	20.0
57.07066	57.6
63.05167	1.0
67.05490	11.0
69.07060	10.6
69.99445	5.3
71.04991	1.0
71.08620	41.9
75.04472	0.9
79.05487	1.7
81.07041	15.0
81.53791	1.0
83.08603	11.5
85.10166	23.4
89.06007	3.8
95.08587	22.6
97.10158	7.1
98.21424	1.8
99.11706	1.5
103.07561	2.4
109.10129	12.4
110.12848	1.0
111.11702	1.9
117.09124	1.2
119.60612	0.9
121.10090	1.2
123.11703	6.1
125.13219	1.0
129.12437	0.8
137.13295	2.4
165.64819	1.1
173.15427	1.2
197.15996	0.9
239.23666	4.7
257.24658	6.0
298.10663	1.3
298.27747	1.3
299.11810	1.1
313.27316	100.0
314.13843	3.6
314.27655	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	314.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52571	0.6
52.00826	0.6
53.17575	0.6
55.05500	10.8
56.05032	9.2
56.82176	0.6
57.03426	1.9
57.07068	11.4
58.02955	3.7
58.06580	1.3
60.04515	21.4
65.28748	0.7
67.05486	6.2
69.07061	15.8
70.02941	1.3
70.83210	1.9
71.08627	5.6
72.04506	100.0
72.68653	0.7
73.02910	1.1
74.06069	1.1
79.05473	3.1
81.07049	7.4
82.06589	1.1
83.04972	2.5
83.08601	13.0
84.04488	23.0
85.02893	10.8
85.10170	2.4
86.06061	5.1
88.03976	3.4
91.05482	1.3
93.07046	2.7
95.04974	0.8
95.08598	6.8
96.04469	1.1
97.06566	0.7
97.10161	9.1
100.03971	1.3
102.05535	4.8
107.08611	1.5
109.10149	2.7
110.06062	1.2
110.23914	0.7
111.11693	5.1
121.10184	0.8
123.11672	1.3
125.13274	2.5
135.11662	0.8
143.18118	0.7
212.23705	14.9
213.22153	2.8
213.24054	1.1
238.25243	0.9
240.26926	1.3
250.25360	1.1
251.23648	8.3
253.21620	0.8
254.24889	0.8
266.24866	2.2
267.23215	2.5
268.26288	16.5
268.28918	1.1
278.24814	3.2
279.23096	1.2
296.25818	12.0
314.26837	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	314.2684
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
53.03931	0.4
55.05508	3.0
56.05020	1.2
57.07067	0.8
62.10657	0.3
65.03918	1.0
67.05492	7.9
68.05015	1.2
69.07058	3.9
70.06574	1.4
70.12585	1.7
70.12858	0.4
72.53589	0.3
79.05472	2.2
79.71955	0.4
80.05003	3.5
81.07039	3.8
82.06570	2.3
83.04967	0.4
83.08598	1.3
84.08128	1.2
86.06066	0.4
91.05459	1.1
92.72570	0.3
93.05798	0.7
93.07041	2.5
94.06549	2.8
95.08582	3.0
96.08102	2.3
97.10150	0.5
105.07006	0.8
106.06544	2.5
107.07319	1.2
107.08578	1.3
108.08105	1.8
109.10110	0.9
110.09631	1.6
112.07571	0.7
120.08067	1.4
121.10104	0.8
122.09652	0.5
124.11187	0.8
129.90849	0.4
131.08519	0.3
134.09654	0.5
135.39507	0.3
136.11214	0.5
138.09116	0.5
138.12758	0.7
152.14314	0.8
158.52803	0.4
194.18959	0.8
198.11169	0.5
234.22105	0.8
240.23248	0.4
246.22160	0.8
250.25258	1.5
252.23097	0.4
260.23691	1.7
264.23138	2.8
266.24765	2.4
268.26263	2.5
278.24744	9.5
279.25085	0.3
296.25797	18.4
297.08795	0.4
297.26007	1.0
314.26828	100.0
315.08887	0.5
315.27176	5.6
325.99316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01825	0.4
55.05499	2.4
57.03418	0.9
59.04987	0.4
62.99501	0.4
67.05482	3.6
68.05001	0.5
69.07052	3.1
69.78616	2.6
70.06582	3.8
71.04978	0.7
79.05482	2.6
80.05014	0.4
81.07049	3.4
82.06563	1.2
83.08582	0.4
84.08111	0.5
91.05464	1.5
93.07021	2.3
94.06149	0.3
94.06562	2.7
95.07323	0.4
95.08601	2.3
96.08116	4.6
98.20783	0.5
105.06997	1.6
107.07305	0.5
107.08562	1.3
108.08084	2.9
109.08881	1.2
109.10107	1.1
110.09668	2.4
111.04375	0.3
119.08542	0.7
120.08090	0.9
121.10095	0.6
122.09630	2.9
123.10448	0.5
124.11196	0.3
133.10059	0.5
134.09647	0.4
136.11136	0.6
140.10620	0.8
148.11148	0.4
150.12863	0.4
150.76593	0.3
164.14310	0.4
195.02730	0.4
220.20534	0.7
232.36925	0.4
234.22203	0.8
236.20076	1.7
237.15678	0.4
248.23611	0.6
252.23114	1.1
260.23712	3.7
263.01434	0.4
265.09082	0.4
266.24863	0.5
276.23248	1.3
278.24722	16.8
296.25800	14.5
297.26141	0.5
298.10635	0.4
314.26825	100.0
315.27109	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2682
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.36469	0.2
53.03941	0.3
53.43632	0.2
55.05276	0.3
55.05503	3.2
56.05022	0.4
57.03418	0.2
58.06565	0.3
67.05134	0.4
67.05490	5.9
68.05000	0.5
69.03419	0.4
69.07060	2.9
69.64244	0.5
69.64648	1.6
70.06577	3.6
71.04966	0.7
79.05483	3.4
80.04978	0.5
81.03387	0.7
81.07041	5.3
82.06571	1.7
83.04941	0.2
83.08598	0.6
84.08112	0.7
91.05458	1.9
92.52813	0.2
93.07023	2.6
94.06541	3.9
95.04948	0.7
95.07316	0.3
95.08591	3.4
96.08116	4.2
97.06517	0.4
97.10187	0.2
98.09662	0.5
100.11215	0.4
105.07014	1.9
107.07300	0.8
107.08569	1.6
108.08105	3.9
109.06474	0.6
109.08917	1.4
109.10123	3.1
110.09663	2.0
117.06982	0.4
119.08549	1.0
120.08073	0.8
121.10133	0.8
122.09644	4.9
123.10405	0.6
124.11193	0.4
130.08604	0.2
131.08560	0.4
133.10112	0.6
135.11642	0.4
136.11205	1.3
137.09596	2.9
138.12677	0.3
140.10677	0.9
145.10066	0.4
145.55577	0.3
147.11594	0.3
148.11179	0.4
150.12741	0.6
155.10616	0.4
165.09033	1.7
170.15390	0.4
195.02792	0.3
236.20059	0.3
238.21605	0.7
244.26244	0.3
248.23732	0.5
252.23129	0.3
260.23694	1.7
269.19058	0.4
276.23193	0.7
278.24741	21.7
279.25058	0.7
284.66003	0.2
296.25800	27.9
297.26163	1.0
298.10739	0.3
314.26834	100.0
315.05042	0.5
315.19620	0.4
315.27200	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0857
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
68.99782	0.3
69.47985	0.9
69.48410	0.7
70.14819	0.1
95.01286	0.2
98.20731	0.4
111.04385	0.2
121.02823	1.9
131.04893	0.2
137.02345	0.3
141.06972	0.6
142.07762	0.9
147.04311	0.2
150.95332	0.2
152.06139	0.5
153.01765	0.3
153.06949	0.6
155.04858	0.5
169.06447	3.0
170.07242	2.8
172.05157	0.2
180.05649	0.3
181.06441	2.4
183.04382	0.5
184.05298	0.2
187.03896	2.0
197.05942	5.5
198.06720	11.6
199.07127	0.4
201.05394	0.2
202.80449	0.2
209.05956	1.4
213.00369	0.2
213.05380	0.5
225.05399	2.1
226.06194	7.9
227.06799	0.7
229.04889	0.2
237.05443	1.1
242.05734	0.5
243.06482	0.5
253.04987	2.3
254.05695	41.8
255.06085	2.0
257.04370	1.3
265.05069	0.9
269.04358	2.6
270.05142	1.4
271.05966	6.7
272.06503	0.5
281.04398	10.2
282.05170	16.7
283.05939	3.9
284.06329	0.2
285.03824	0.5
286.04666	3.6
297.03989	0.2
299.05438	13.8
300.06213	11.0
301.06454	0.5
315.08554	100.0
316.08929	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	315.0858
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.68816	0.4
55.05471	0.8
55.43517	0.4
67.05464	0.8
67.95834	0.5
69.03397	0.6
69.07029	0.5
69.41731	2.1
69.42155	2.4
71.04945	0.8
79.05451	0.8
81.03384	2.1
81.06998	1.4
83.04910	1.2
85.02869	1.3
91.05415	0.9
93.07000	1.3
95.04921	0.6
97.02856	0.5
98.21446	0.9
103.56174	0.4
105.06991	0.7
107.08534	0.9
111.04400	0.6
119.08515	1.2
121.06467	0.4
131.08562	0.6
135.08003	0.5
143.08467	0.5
145.10043	0.8
149.09541	0.6
161.09540	0.6
163.07536	0.6
169.17435	0.6
173.05933	0.5
183.04369	1.6
184.05139	0.9
185.05812	0.5
188.15623	0.4
197.05867	0.5
198.06734	3.0
199.03810	0.6
201.05437	4.0
211.03851	5.8
212.04601	1.4
213.05396	0.9
214.02469	0.6
217.04945	1.0
222.03029	0.7
223.03729	0.7
225.05330	0.7
227.03355	5.8
227.06833	0.6
228.04143	0.7
229.04933	9.4
239.03360	14.7
240.03995	1.6
241.04883	1.2
242.02075	8.1
243.06482	4.9
244.07339	1.8
245.11649	0.6
253.04932	2.0
254.05792	0.8
255.02827	3.6
257.04413	46.1
258.04794	1.8
267.02808	1.3
268.03613	5.0
269.04245	2.6
270.05164	3.4
271.05951	5.2
272.06644	4.6
273.07227	0.6
275.05481	0.8
282.05219	0.6
283.05988	15.8
283.09103	0.5
284.06442	1.5
285.03891	11.4
286.04230	0.9
297.18567	0.5
297.26071	0.5
300.06232	61.7
301.06641	3.2
315.08569	100.0
315.19443	1.6
316.08929	7.1
316.28293	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0857
Annotation	ladanein
Peak:m/z	Relative Intensity
55.05506	2.4
67.05476	3.7
68.99785	1.1
69.03415	3.5
69.07050	2.2
71.08594	1.3
71.70618	1.4
79.05482	3.5
81.03411	8.3
81.07040	5.1
83.04977	6.8
85.02878	2.6
90.07490	0.8
91.05471	4.2
93.07024	3.3
94.06595	1.0
95.04963	1.9
95.08603	4.4
96.08887	1.0
97.06483	1.2
105.07024	4.4
107.04963	1.0
107.08578	4.0
109.02854	2.0
109.06517	1.4
109.10106	2.7
111.04433	1.5
115.05449	1.4
117.07040	1.5
119.04913	1.4
119.08542	3.4
121.10143	2.3
123.04434	1.3
123.11681	1.0
125.06052	1.0
128.06207	3.2
131.04965	1.1
131.08560	1.9
133.10127	1.1
135.08014	1.6
137.09584	1.7
139.05402	4.9
141.06987	2.1
143.08504	1.9
145.10115	2.7
147.08034	1.6
147.11667	2.2
149.09557	2.6
153.06967	1.1
156.05649	2.6
159.07994	1.5
159.11725	1.2
161.09581	2.0
162.05460	2.1
163.07555	1.7
167.04913	4.2
168.05693	3.9
169.06454	2.6
171.08046	2.8
171.11710	1.3
173.05949	1.2
173.09692	1.1
175.07529	1.5
175.11229	1.2
183.04388	4.5
184.05174	16.5
185.05899	1.6
187.11032	1.0
188.04639	1.8
191.07030	1.5
194.03593	3.0
195.04414	1.8
197.05934	1.6
198.06784	6.0
199.03894	2.8
199.07481	9.6
199.11421	1.4
201.05307	6.5
201.12852	1.0
209.05806	1.5
211.03894	3.5
211.07433	1.0
212.04625	15.3
213.05428	4.6
214.06190	1.3
214.17992	2.5
215.18346	6.0
217.12219	1.0
219.76672	0.9
223.03902	6.8
225.05499	2.1
226.06178	4.6
227.03343	4.1
227.06966	15.3
228.04002	1.0
228.07489	1.4
229.04973	9.6
231.06447	4.0
234.05188	1.5
237.07587	1.1
239.03365	8.0
240.04123	12.2
241.05043	4.9
242.02034	1.9
242.05635	2.1
243.06514	9.6
244.03484	1.9
244.07156	4.4
250.02298	1.0
253.04961	2.3
254.05682	2.2
255.02815	1.9
255.06487	13.2
257.04404	16.5
258.04849	1.4
267.02884	2.6
268.03592	7.6
269.04425	9.2
270.05112	8.1
271.05975	7.3
272.06696	9.0
279.25339	2.1
282.05154	3.6
283.05969	80.4
284.03656	1.0
284.06430	6.0
285.03848	8.7
287.09128	4.0
297.07712	1.9
297.18628	2.3
297.26038	4.2
299.05392	1.2
300.06238	91.2
301.06628	5.9
315.05356	3.8
315.08563	100.0
315.19385	6.2
315.23151	2.2
315.27161	23.4
316.08954	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	315.0855
Annotation	Melannein
Peak:m/z	Relative Intensity
55.05494	1.1
67.05480	1.1
69.03393	1.4
70.59540	1.3
77.03325	0.5
79.05476	0.6
81.03392	4.0
81.07021	0.9
83.04944	1.8
85.02865	1.6
85.06540	0.6
91.05457	1.2
93.07023	1.0
94.91660	0.4
95.04946	1.2
95.08591	0.7
98.21057	1.0
102.20300	0.6
105.07039	0.9
105.89182	0.5
107.04974	0.7
107.08582	0.7
109.02825	0.7
109.10122	0.8
119.08540	1.0
121.06429	0.5
121.10114	0.5
123.04403	0.6
123.11728	0.5
128.06203	1.9
129.07027	0.5
131.08504	0.8
133.10081	0.6
139.05356	0.6
140.06198	1.3
141.06989	0.9
145.06438	1.5
151.03883	1.3
155.04881	1.8
156.05655	1.1
157.10074	0.8
159.11647	0.6
159.14723	0.5
161.06000	0.5
167.04884	0.6
168.05626	2.7
169.06453	1.0
170.07220	3.0
171.08051	3.6
171.11647	0.5
173.05959	6.4
174.06723	0.6
183.04378	4.3
184.05173	5.4
191.07045	0.5
197.05972	2.5
198.06732	6.8
199.03851	0.6
199.07506	6.3
201.05438	11.3
202.06230	3.4
211.03853	5.3
212.04626	6.5
213.05406	1.5
215.03325	1.9
225.05397	2.0
226.06212	14.2
227.03328	1.2
227.06979	16.4
228.04137	0.9
228.07425	0.9
229.04918	6.2
230.05763	2.4
237.04329	0.5
237.07387	0.7
239.03323	0.8
240.04118	0.5
241.04999	2.5
243.06528	4.1
244.07210	1.1
254.05710	17.2
255.06459	11.5
256.07047	1.3
257.04404	19.9
258.05005	1.4
271.05823	0.9
272.06735	33.3
273.07098	1.4
282.05066	1.0
283.09586	0.8
287.09082	36.4
288.09491	1.6
297.18549	0.9
299.05530	1.0
300.06158	3.7
315.08560	100.0
315.23154	2.0
316.08911	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.4
55.01866	1.6
55.05491	1.6
58.18983	0.8
58.50078	1.0
65.03932	1.0
67.05503	4.1
69.03417	1.9
70.06580	1.6
70.95074	0.8
71.69225	0.9
71.69588	0.9
75.87514	0.8
77.03909	1.2
79.05488	7.8
81.03404	30.3
81.07038	4.9
83.01327	1.2
83.04945	1.6
83.06075	2.3
84.08140	1.1
85.02896	0.9
86.09692	2.8
91.04921	1.5
91.05466	25.7
93.07031	5.1
95.04956	3.8
97.02885	9.5
97.06499	1.3
103.05434	2.1
105.07014	18.0
107.04942	4.1
107.08546	1.2
108.05707	9.0
109.02861	50.3
109.06504	2.0
111.03755	0.8
111.04404	4.7
115.05402	4.5
116.06277	1.0
116.40498	0.9
117.06994	12.3
119.04897	1.5
119.08559	4.6
121.02855	1.6
121.06490	10.2
123.04420	6.9
125.05991	1.0
128.06189	7.2
129.06979	11.1
130.06525	1.1
131.04919	3.3
131.08548	32.9
132.05623	1.2
132.09195	0.8
133.06448	6.1
133.10092	7.3
134.07251	3.4
135.04398	7.2
135.08043	1.0
136.06189	1.9
137.02295	4.0
137.05959	3.3
139.03851	2.3
141.06947	11.4
142.07770	4.9
143.08530	20.4
144.05669	4.0
144.09294	1.6
145.06477	13.2
145.10103	7.9
146.07243	4.7
147.04382	3.0
147.08028	17.6
153.05441	2.4
153.06931	5.6
154.07738	3.3
155.08549	11.2
157.06465	2.8
157.10095	5.8
158.07233	1.7
159.08034	61.6
160.08826	18.8
161.05946	3.1
161.09595	100.0
162.10156	2.5
163.03859	5.0
163.07507	1.0
165.05496	4.0
165.06999	10.8
166.07730	5.2
167.08528	11.7
168.09332	4.4
169.07658	1.4
169.10095	7.6
171.07976	4.7
171.11708	1.5
173.05965	2.9
173.09578	2.3
175.07512	1.4
177.05438	1.5
177.09055	6.3
178.07753	3.1
179.08537	9.3
180.09262	8.4
181.06453	2.6
181.10049	9.9
183.08058	2.9
183.11649	1.6
185.05910	1.0
185.09558	5.2
185.13245	2.3
187.07515	5.5
187.11209	3.8
188.08353	1.7
189.05438	1.4
189.06941	1.2
190.07785	3.5
191.08606	1.3
192.09297	4.8
193.10126	2.0
194.07231	1.1
195.07993	3.0
195.11671	33.7
196.12025	1.2
197.09587	4.3
197.13254	2.5
199.07516	1.8
199.11174	1.1
203.08655	0.9
203.10654	1.3
205.08492	3.7
205.10104	12.3
206.09332	29.2
207.08090	2.5
207.11650	6.3
208.08864	4.2
209.09596	3.3
211.07503	1.3
213.05496	1.3
213.09122	1.5
213.12645	4.2
218.07330	2.5
223.07582	1.7
223.11159	23.2
224.11472	1.6
225.09050	3.1
225.12671	2.2
227.10606	2.9
231.10092	3.9
233.09546	6.0
236.08380	1.5
237.08958	1.3
241.08426	1.3
241.12210	14.5
251.08063	1.5
251.10640	28.9
253.12260	2.5
259.13315	2.0
269.11685	23.8
273.04095	1.0
279.10104	4.9
287.12732	4.5
297.07895	1.1
297.11130	15.7
315.04956	2.8
315.08606	3.2
315.12231	15.9
316.11841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	0.8
50.09419	0.8
50.73576	0.8
51.02150	0.8
51.02375	1.5
52.49982	0.7
53.03941	14.4
55.01863	2.5
55.05491	2.1
55.71559	0.8
65.03942	1.7
67.05492	3.7
69.03402	1.7
70.06593	1.1
70.94114	2.6
79.05487	8.5
79.24699	0.8
80.37288	1.0
81.03407	28.4
81.07061	5.1
83.01344	1.6
83.04974	2.3
86.09696	1.8
91.05468	25.7
93.07035	4.4
95.04951	3.9
96.50582	0.7
97.02869	8.3
99.04436	1.1
102.23476	0.8
102.33698	0.8
103.05441	3.0
103.21017	0.8
105.03466	1.0
105.07014	14.5
107.04943	3.7
107.37453	0.8
108.05720	9.2
109.02868	48.7
109.06509	1.1
111.04404	3.9
115.05428	4.4
116.06289	1.2
117.07001	12.0
119.04886	2.0
119.08564	6.4
121.02837	1.2
121.06493	8.4
123.04404	3.3
125.05973	1.3
128.06195	7.3
129.06985	10.7
130.07784	0.9
131.04938	3.9
131.08545	29.0
132.05682	1.7
133.06474	5.1
133.10100	6.3
134.07254	3.5
135.04402	7.7
137.02319	4.0
137.05946	3.3
139.03961	1.1
141.06970	11.0
142.07733	6.3
143.08539	24.7
144.05702	3.7
144.09322	1.9
145.06474	12.1
145.10095	6.3
146.07210	6.5
147.04390	1.9
147.08028	16.0
149.06004	1.3
149.09641	1.4
152.06204	1.8
153.05659	1.5
153.06989	5.8
154.07724	2.6
155.08553	11.0
157.06508	2.6
157.10112	5.6
158.07190	1.9
158.36568	0.8
159.08037	61.4
159.11630	1.4
160.08815	20.8
161.09596	100.0
162.10106	2.4
163.03873	2.4
163.07559	1.0
165.05513	2.3
165.06990	12.0
166.07732	4.7
167.08540	13.4
168.09335	3.4
169.06432	1.9
169.10072	7.8
170.07222	1.3
171.08058	5.7
171.11674	1.5
173.05954	1.5
173.09605	1.6
175.07558	1.0
177.05417	1.4
177.09082	5.7
178.07765	2.8
179.08502	9.0
180.09335	8.6
181.06471	1.8
181.10100	8.8
181.11580	1.4
182.07172	1.0
182.10910	0.9
183.08073	2.7
183.11717	1.7
184.08884	1.1
185.09578	5.0
185.13274	2.3
187.07486	5.5
187.11157	4.2
188.08284	3.2
189.06935	1.1
190.07718	4.8
191.08540	3.0
192.09306	4.3
193.10071	2.8
195.08038	3.6
195.11664	32.0
196.12140	1.0
197.09608	3.5
197.13249	2.6
199.11179	2.2
201.08981	0.9
205.08444	5.0
205.10178	10.7
206.09351	32.2
207.08176	1.6
207.11664	7.0
208.08862	4.5
209.09651	2.4
211.11115	1.2
213.09065	1.7
213.12653	4.1
218.07227	2.2
221.09715	0.9
223.07736	1.3
223.11143	24.0
225.09035	1.7
225.12732	2.2
227.10632	2.6
231.10220	4.2
233.09610	6.4
235.11057	1.0
236.08272	1.6
237.08939	1.0
241.12222	17.4
251.10634	32.1
253.12267	2.6
259.13287	1.6
269.11667	24.5
279.10141	5.4
287.05350	1.4
287.12717	3.6
297.07758	0.9
297.11163	19.2
315.05252	4.2
315.08630	1.5
315.12091	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01852	2.9
55.05496	5.2
55.77961	0.8
57.03415	2.2
61.36509	0.7
65.03898	1.2
67.05494	42.9
68.05833	1.5
69.03412	3.2
69.07063	3.8
70.06575	3.3
71.04970	2.0
71.06897	0.9
71.70016	1.1
73.85372	0.7
75.80112	0.7
79.05476	7.5
80.31609	0.6
81.03398	3.1
81.07041	26.0
82.06570	1.1
82.07375	1.1
83.04974	1.8
83.08578	0.8
85.02892	1.9
85.06487	0.8
91.05472	4.8
93.07029	7.2
94.06553	2.7
95.04939	5.3
95.08595	13.9
96.08103	2.8
96.08950	1.1
97.02908	1.1
97.06504	1.1
97.08442	1.3
99.08051	1.7
100.62186	0.7
105.07002	2.8
106.26213	0.7
107.07324	0.8
107.08562	4.8
108.08121	1.8
109.06469	2.4
109.10138	89.3
110.09685	0.9
110.10450	1.1
110.85751	0.7
111.04422	1.2
119.08561	6.9
120.08092	1.0
121.10113	2.8
122.09669	2.2
123.04403	0.7
123.09984	1.6
123.11761	0.7
125.05959	3.7
131.08528	1.2
133.10136	1.3
135.11636	0.7
137.02275	1.3
137.09595	100.0
138.09944	1.7
139.78529	0.7
143.08507	0.7
147.07990	1.0
153.03992	0.8
155.10648	11.7
161.09521	0.6
165.09096	63.2
165.25581	0.7
166.09332	1.3
167.08556	0.7
171.06511	0.9
183.06581	1.7
183.08795	0.8
183.10150	4.7
195.02969	1.2
201.11157	4.7
220.96027	0.6
249.24173	1.1
251.12675	1.2
259.10843	1.4
261.24197	1.3
269.13782	2.9
277.23483	0.8
278.24789	1.2
279.12311	7.5
279.25079	16.5
287.05505	0.7
296.25760	2.0
297.13278	8.4
297.26147	22.5
313.63336	0.9
314.26959	6.0
315.04971	5.4
315.13388	3.0
315.19534	2.1
315.27191	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01852	2.9
55.05496	5.2
55.77961	0.8
57.03415	2.2
61.36509	0.7
65.03898	1.2
67.05494	42.9
68.05833	1.5
69.03412	3.2
69.07063	3.8
70.06575	3.3
71.04970	2.0
71.06897	0.9
71.70016	1.1
73.85372	0.7
75.80112	0.7
79.05476	7.5
80.31609	0.6
81.03398	3.1
81.07041	26.0
82.06570	1.1
82.07375	1.1
83.04974	1.8
83.08578	0.8
85.02892	1.9
85.06487	0.8
91.05472	4.8
93.07029	7.2
94.06553	2.7
95.04939	5.3
95.08595	13.9
96.08103	2.8
96.08950	1.1
97.02908	1.1
97.06504	1.1
97.08442	1.3
99.08051	1.7
100.62186	0.7
105.07002	2.8
106.26213	0.7
107.07324	0.8
107.08562	4.8
108.08121	1.8
109.06469	2.4
109.10138	89.3
110.09685	0.9
110.10450	1.1
110.85751	0.7
111.04422	1.2
119.08561	6.9
120.08092	1.0
121.10113	2.8
122.09669	2.2
123.04403	0.7
123.09984	1.6
123.11761	0.7
125.05959	3.7
131.08528	1.2
133.10136	1.3
135.11636	0.7
137.02275	1.3
137.09595	100.0
138.09944	1.7
139.78529	0.7
143.08507	0.7
147.07990	1.0
153.03992	0.8
155.10648	11.7
161.09521	0.6
165.09096	63.2
165.25581	0.7
166.09332	1.3
167.08556	0.7
171.06511	0.9
183.06581	1.7
183.08795	0.8
183.10150	4.7
195.02969	1.2
201.11157	4.7
220.96027	0.6
249.24173	1.1
251.12675	1.2
259.10843	1.4
261.24197	1.3
269.13782	2.9
277.23483	0.8
278.24789	1.2
279.12311	7.5
279.25079	16.5
287.05505	0.7
296.25760	2.0
297.13278	8.4
297.26147	22.5
313.63336	0.9
314.26959	6.0
315.04971	5.4
315.13388	3.0
315.19534	2.1
315.27191	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.195
Annotation	7-Oxodehydroabietic acid
Peak:m/z	Relative Intensity
53.03928	3.9
55.05498	19.0
57.03402	4.0
57.07070	1.9
65.03911	4.4
67.02537	2.2
67.05493	34.8
69.03398	4.1
69.07041	14.2
69.11040	2.1
69.89840	12.5
70.06575	2.9
71.05003	3.8
73.49198	2.1
79.05473	18.7
81.03391	9.9
81.07041	38.1
83.04949	4.6
83.08595	8.6
85.02890	7.0
91.05466	31.6
93.07020	30.0
94.06556	4.1
95.04948	11.5
95.08587	35.0
96.08095	5.0
97.06525	4.3
103.05461	4.1
105.07009	45.5
106.06480	2.9
107.04897	4.8
107.08563	28.1
108.08128	11.3
109.06506	7.5
109.10130	56.5
110.09659	8.0
115.05396	3.7
117.06986	13.2
119.04923	4.0
119.08562	27.6
120.04416	11.5
120.08085	7.4
121.06473	4.0
121.10102	9.9
123.11683	6.4
125.05952	2.7
125.09631	3.7
128.06204	5.6
129.06938	11.8
129.20119	2.2
131.08530	32.2
133.06458	3.2
133.10110	15.4
134.05991	3.0
135.04457	2.3
135.08006	5.6
135.11620	5.8
136.07542	14.6
137.05942	3.9
137.09595	45.0
138.09082	8.0
141.06947	4.5
142.07744	5.8
143.08528	24.3
145.06429	3.9
145.10092	28.5
147.04355	2.7
147.08005	6.6
147.11679	9.5
149.05948	12.7
149.09554	6.4
153.06960	3.2
154.08647	18.8
155.08511	14.6
156.09358	6.1
157.10086	27.7
159.08020	5.9
159.11658	17.8
161.09608	4.3
161.13213	6.8
162.05469	77.0
163.05762	3.8
163.07466	3.7
165.07001	3.5
165.09076	30.5
166.08607	12.4
167.08514	7.2
168.09309	7.3
169.10121	19.1
170.10771	3.3
171.08037	4.6
171.11652	18.6
173.09576	5.1
173.13242	9.3
175.07513	5.1
175.11121	6.2
177.09090	4.6
179.08502	4.9
180.09311	3.3
181.10103	9.8
182.10938	5.4
183.11650	24.0
185.09517	5.9
185.13225	15.3
187.07552	3.3
187.11069	3.3
187.14763	3.3
189.09048	5.4
194.10918	3.0
195.02844	27.3
195.11691	14.8
196.12473	4.5
197.13213	16.3
199.11058	3.5
199.14763	12.1
201.12639	2.8
201.16396	4.7
206.79321	2.5
209.09583	2.4
209.13203	17.4
211.14757	7.4
213.09055	4.2
213.12703	6.4
217.12212	3.0
223.14780	7.4
225.12746	2.5
225.16316	15.6
227.14301	6.9
227.17935	4.9
229.15865	2.6
236.15450	3.5
239.17964	4.1
240.08795	2.6
241.12192	3.7
241.19475	7.8
245.15308	10.6
251.17938	20.6
253.19559	6.1
267.17218	2.8
269.12930	3.5
269.18948	48.3
270.19266	4.0
271.16858	7.3
274.82944	2.3
279.25009	5.1
285.18454	9.3
287.19852	5.6
296.65671	2.3
297.12616	7.1
297.18408	40.3
297.26099	5.5
315.05231	3.9
315.08704	6.3
315.13300	8.5
315.19482	100.0
315.27191	22.7
316.19708	5.0
320.67010	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	315.1951
Annotation	3-Hydroxy-2-(3-hydroxy-3-methylbutyl)-5-methoxybibenzyl
Peak:m/z	Relative Intensity
53.03944	4.6
55.01853	3.3
55.05503	17.5
57.03428	5.3
57.07045	5.6
59.04998	2.7
61.39248	2.1
65.03929	5.1
67.05491	38.4
68.83749	2.3
69.03425	6.0
69.07059	16.0
70.05554	13.6
70.06566	3.5
71.04965	3.4
79.05480	40.7
81.03394	10.3
81.06606	3.5
81.07048	48.6
83.04968	20.1
83.08596	5.7
85.06515	4.4
91.05464	41.1
93.07030	65.8
95.04957	22.7
95.08592	38.6
97.02853	3.4
97.06522	10.4
97.10175	2.9
99.04437	7.7
99.08054	3.2
103.05430	4.4
105.07013	46.2
107.04918	6.5
107.08573	50.7
109.02866	9.9
109.06509	16.0
109.10133	20.4
111.04420	37.5
111.08035	11.8
115.05440	3.3
116.06161	2.5
116.98606	2.9
117.07018	15.4
119.08572	45.0
121.06483	14.8
121.10130	26.0
123.08056	8.3
123.11679	6.4
125.05950	19.4
125.09642	4.5
128.06227	4.3
129.07002	12.8
130.07730	4.0
131.04910	3.2
131.08546	34.4
133.06462	5.6
133.10104	44.0
135.08061	32.9
135.11703	11.7
137.05959	9.8
137.09583	6.0
139.03937	6.9
139.07506	29.9
141.06918	4.6
142.07755	7.0
143.08546	19.5
144.09364	3.6
145.06500	4.0
145.10104	49.8
147.08037	6.7
147.11664	11.5
148.08681	2.6
149.09581	17.1
151.07494	4.4
153.09081	27.7
155.08514	9.9
156.09268	4.3
157.10106	19.7
158.10800	5.1
159.08067	5.2
159.11644	28.8
161.09598	10.1
161.13252	8.2
163.03836	2.6
163.07492	3.4
163.11171	9.8
165.09100	6.1
167.08482	4.9
167.10678	4.5
169.10060	7.5
170.10881	4.7
171.06444	3.3
171.11603	12.1
172.12358	3.3
173.09567	6.2
173.13258	11.2
175.11116	5.8
175.14720	4.4
175.96541	2.5
177.09103	8.1
177.12775	5.2
179.10738	2.9
181.10123	3.3
182.10899	2.8
183.11624	7.5
185.08076	5.0
185.09630	3.2
185.13274	19.8
187.11137	5.1
187.14714	3.0
189.09108	2.9
189.12764	5.9
191.10675	7.4
193.12190	3.9
195.11647	7.4
197.13234	6.1
199.14801	10.0
200.15587	4.6
201.12691	3.9
201.90045	2.5
203.10628	3.2
203.14511	2.9
205.12204	7.8
209.09645	2.7
209.13263	5.5
211.11330	2.9
211.14790	4.4
213.12674	7.5
213.16344	3.0
215.10622	4.8
215.14368	3.1
217.12247	8.4
221.15440	5.2
223.11201	3.0
223.14691	2.8
227.10594	2.8
229.12294	6.7
231.13788	3.2
233.11595	4.0
233.15366	3.2
241.12199	14.5
243.13591	3.7
245.11771	5.7
254.05595	4.9
255.13815	11.2
257.04312	3.1
257.15405	3.4
269.15549	4.6
269.18906	7.5
273.18555	6.8
279.17535	3.4
283.06064	3.6
283.09647	7.6
287.16599	5.8
287.20023	11.5
297.18454	70.9
297.21887	4.5
297.26144	6.8
298.27298	6.1
299.05460	2.8
299.10968	2.9
300.06235	6.0
315.04929	9.7
315.08627	21.3
315.13806	17.9
315.19537	100.0
315.23349	6.2
315.27036	19.9
316.19940	5.6
316.28360	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	316.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.4
56.05017	0.8
67.05484	1.4
68.99782	1.2
69.03416	4.5
70.06556	2.1
71.28694	1.9
79.05463	3.5
79.31982	0.7
81.03386	2.5
81.07038	1.0
84.04472	1.0
84.08105	1.7
85.02872	0.9
86.09678	2.1
91.05441	3.8
93.03391	1.4
93.07015	2.2
95.01334	0.8
95.04947	2.2
105.06997	2.2
107.04958	1.1
107.08583	1.8
109.21078	0.8
119.04936	2.3
119.07285	1.5
119.08548	1.2
121.02863	1.6
121.06464	2.1
123.04409	15.0
129.06931	1.0
130.06429	0.7
131.04868	1.5
131.08501	1.4
133.06456	1.7
137.02287	0.8
137.05925	1.7
138.05476	0.9
139.03859	3.3
141.05458	1.3
141.06906	0.8
143.08530	0.8
147.04393	5.2
149.05920	0.9
153.01799	4.3
153.05432	1.7
153.06882	0.8
155.08527	2.7
157.11232	0.8
159.08037	1.9
161.05963	3.8
161.08356	0.7
161.09540	4.3
163.03908	1.3
165.04071	1.1
165.05446	21.2
165.06963	5.8
167.08521	1.1
176.07130	0.8
177.05513	1.5
177.06966	1.0
178.07640	6.7
179.08528	51.9
180.08896	0.9
181.06450	3.4
181.09975	0.9
183.02896	1.3
183.08031	45.1
189.05452	1.8
189.07018	0.8
191.03418	1.4
191.08453	1.3
193.08951	0.8
194.07224	2.8
195.06412	0.8
195.07994	2.8
197.09538	1.5
206.09587	3.3
207.08028	70.2
208.08685	3.4
209.09589	2.9
211.07497	4.2
217.04964	1.3
224.10663	14.3
225.09061	2.1
225.12775	1.1
229.04950	1.6
235.07538	5.8
239.06990	4.2
246.05161	0.8
253.08548	47.2
254.08876	1.6
257.04950	1.5
257.08029	32.7
266.70993	0.9
270.11206	100.0
271.06229	0.8
271.11270	2.2
273.03839	1.4
274.04672	1.6
281.08112	2.3
281.11398	1.0
285.03976	1.9
287.10266	2.4
298.07608	1.0
299.05652	1.3
299.09137	14.3
299.12708	1.8
302.04187	6.0
316.05530	1.1
316.08655	1.1
316.11765	16.8
317.03043	1.2
317.06476	25.9
317.10730	7.5
317.14203	1.4
317.17267	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	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01851	0.7
56.96553	3.1
57.03412	0.7
61.02922	1.6
67.14044	0.2
69.03421	3.7
70.30882	0.9
70.31297	0.4
71.04969	0.6
72.96041	0.2
73.02897	0.5
81.03403	1.3
81.07030	0.3
85.02889	10.2
87.04449	0.6
89.03883	0.7
90.98463	0.2
91.05463	15.8
92.05772	0.3
97.02876	3.2
98.97567	1.6
99.04411	0.5
109.02867	1.3
109.06509	1.2
112.99129	0.5
116.98607	0.9
117.03355	0.5
117.04230	0.2
119.04919	10.3
127.03888	1.7
131.00153	0.7
133.05196	0.2
134.99635	0.4
135.04381	0.9
136.07520	1.1
137.05949	100.0
138.06290	1.0
139.03812	0.2
142.96629	0.2
142.99161	0.2
143.00168	0.8
145.02838	0.7
145.04958	1.7
154.08598	21.1
160.06422	0.3
161.01222	0.4
163.03877	4.4
164.04182	0.4
172.11134	0.2
178.04921	1.4
179.07207	0.3
180.02272	0.2
188.05908	0.6
188.96960	0.4
203.02190	0.3
206.06926	1.1
213.08376	0.2
224.07939	1.7
232.96349	0.3
235.06503	0.4
237.02840	0.3
249.02910	0.2
256.04874	0.6
267.03867	0.5
274.05981	0.7
274.97482	0.7
292.98410	0.4
293.14716	0.2
298.12762	0.5
299.11243	0.5
301.02670	0.2
302.05447	0.4
316.13879	3.8
333.61697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01865	0.6
56.34193	0.2
56.96549	0.7
57.03418	0.9
60.38530	0.3
61.02925	1.5
63.03067	0.2
64.86295	0.2
65.03912	0.4
65.33975	0.2
69.03420	2.9
69.24515	0.2
69.77953	1.1
69.78366	0.5
71.04979	0.5
73.02911	0.8
79.05479	0.2
80.58157	0.2
81.03424	1.4
81.07032	0.4
85.02891	10.6
87.04443	0.4
91.03931	0.6
91.05465	14.9
97.02875	3.7
98.21426	0.5
98.97565	0.5
99.04402	0.4
109.02851	1.0
109.06491	1.4
116.98559	0.3
119.01768	0.3
119.04931	9.9
127.03893	1.9
131.00058	0.4
136.07556	0.6
137.05954	100.0
138.06276	1.5
145.04938	2.0
154.08604	20.2
155.08887	0.3
161.02910	0.3
163.03854	0.3
193.03690	0.3
213.03334	0.5
219.01909	0.4
234.27562	0.3
237.02943	0.3
286.04300	0.3
298.12781	0.3
299.11252	0.9
316.10425	0.3
316.13885	4.4
317.06354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2841
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.67037	0.4
53.03942	0.5
55.05500	3.9
56.05023	3.2
57.03426	0.7
57.07065	3.6
60.04517	24.5
60.46740	0.5
67.05492	3.1
68.05022	4.1
69.03415	1.3
69.07053	3.8
70.06576	0.9
71.04977	0.5
71.08620	2.2
72.04494	2.9
73.70824	0.5
74.06051	0.5
77.06807	0.4
79.05483	1.1
80.05013	0.6
81.07034	2.7
82.06547	1.4
83.08576	2.4
84.04485	1.0
85.10161	1.0
86.06042	0.9
90.05534	1.5
93.07028	0.8
94.06552	6.8
95.08587	2.5
97.10130	1.4
98.06070	1.0
103.43730	0.4
107.00542	0.4
109.10123	1.3
112.07549	0.6
116.07061	1.4
154.80907	0.4
155.25801	0.4
186.65372	0.5
212.23703	6.8
223.79747	0.6
236.23636	0.8
238.25252	1.8
242.24759	1.0
250.25288	8.3
252.26961	1.3
254.24733	0.6
262.25217	3.2
268.26248	1.1
280.26291	5.9
298.27362	15.7
299.27734	0.8
316.28415	100.0
317.28735	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	316.2841
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03919	0.7
55.05503	6.4
56.05037	2.3
57.03422	0.7
57.07060	0.9
60.04517	2.9
66.37141	0.4
67.05490	7.7
68.05007	1.0
69.03411	0.9
69.07050	5.3
69.62095	0.4
69.91373	2.5
70.06569	1.3
71.04971	0.5
72.04486	0.6
81.03428	0.5
81.07038	8.3
82.06567	1.7
83.04955	1.0
83.08592	3.2
86.06059	3.6
91.05448	2.6
93.07020	5.0
93.70220	0.4
94.06550	0.5
95.04937	0.9
95.08587	7.1
96.08096	2.3
97.06535	0.7
97.10132	1.1
103.76244	0.4
105.06995	2.9
107.08587	3.7
108.08066	0.7
109.06490	0.6
109.10143	2.7
110.09647	0.5
114.09139	1.4
119.08558	2.1
121.06473	0.6
121.10143	2.3
123.11684	0.9
123.57369	0.4
125.09569	0.4
131.08514	0.7
133.10085	1.1
135.08070	0.7
135.11678	1.4
137.02286	0.8
137.09566	0.5
139.07509	0.8
145.10081	1.5
147.11681	0.7
149.09648	0.9
149.13277	0.5
151.11169	0.5
153.01808	1.6
153.09116	1.1
157.10147	0.6
159.11754	0.7
161.09579	0.8
163.07529	0.5
173.13234	0.6
199.07268	0.4
205.12032	0.5
207.64563	0.4
212.04140	0.6
217.04834	0.4
228.03976	1.7
228.23181	0.8
229.04865	1.1
230.05179	0.7
236.23746	0.5
240.03735	1.6
243.02548	0.6
244.06900	0.8
245.04488	0.6
246.05157	0.5
254.24739	4.6
256.03400	0.5
257.04428	1.6
258.04803	4.3
262.25351	0.6
268.26398	0.8
269.03989	0.8
272.06317	0.6
273.03958	0.5
273.07153	0.6
274.04614	0.9
280.26321	11.6
281.26688	0.5
284.06296	1.5
285.03964	0.8
286.04141	1.1
287.19955	1.9
289.85153	0.5
298.27359	37.2
299.20059	1.4
299.27673	2.0
300.06192	0.5
301.03360	2.5
301.06604	7.8
302.04135	9.6
302.07318	0.6
316.08926	12.8
316.28412	100.0
317.06461	19.8
317.21017	2.3
317.28809	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.0
53.00286	0.0
53.03934	0.1
55.01855	0.1
55.05511	0.1
57.03410	0.0
63.02352	0.1
64.03130	0.0
65.03921	1.1
65.04269	0.1
66.01054	0.0
66.04702	0.1
67.01835	0.2
67.05490	0.3
68.02628	0.1
68.58635	0.0
68.99391	0.0
68.99766	0.7
69.03390	0.1
69.07046	0.0
69.82790	0.1
70.06570	0.2
71.04966	0.0
74.09676	0.0
77.03916	0.0
77.35503	0.0
78.01016	0.0
79.01824	0.0
79.05469	0.3
81.03399	0.3
81.07039	0.2
82.04176	0.1
83.01305	0.0
83.04958	0.0
84.02110	0.0
85.02859	0.1
85.06482	0.0
91.05441	0.2
92.02596	4.4
93.03376	4.1
93.07028	0.1
94.04160	0.2
95.01290	0.2
95.04948	0.3
95.08598	0.2
97.02843	0.1
98.03632	0.0
98.09624	0.0
98.21432	0.0
103.05413	0.1
105.03367	0.1
105.04465	0.0
105.06995	0.2
107.01305	0.0
107.04926	0.1
107.08576	0.2
108.02085	0.1
109.02847	0.4
109.06490	0.1
109.10114	0.1
110.03641	0.1
111.00767	0.7
111.04381	0.1
115.05431	0.1
116.06209	0.0
117.06973	0.2
119.01259	0.1
119.04919	0.1
119.08530	0.1
120.02058	0.2
121.02830	3.1
121.06452	0.2
121.10123	0.0
122.03612	0.3
123.04404	0.2
123.11681	0.0
124.01524	0.2
124.05144	0.1
125.05904	0.0
125.15398	0.0
126.03097	1.5
127.03868	0.0
127.05437	0.0
128.06195	0.1
129.07011	0.1
131.04895	0.2
131.08527	0.1
133.02812	0.2
133.06451	0.1
133.10106	0.1
134.03558	0.0
135.04362	0.3
135.08008	0.0
136.01524	0.0
136.05156	0.0
137.02301	0.8
137.05914	0.2
138.03050	0.1
139.03857	1.1
141.05421	0.1
141.06932	0.1
143.04890	0.1
143.08513	0.1
144.05675	0.1
144.18512	0.0
145.02763	0.1
145.06448	0.3
145.10066	0.1
147.04388	0.1
147.08026	0.0
148.01559	0.0
148.05130	0.0
149.02324	0.2
149.05856	0.1
150.03053	0.3
151.03867	1.9
151.04935	0.1
151.07463	0.1
152.00969	0.2
153.01778	23.3
154.02539	0.1
155.04858	0.4
155.06046	0.1
155.08464	0.0
157.06447	0.1
157.10086	0.1
159.04362	0.1
159.08011	0.2
159.11580	0.0
160.05043	0.0
161.05933	0.5
161.09563	0.2
162.03125	0.1
163.03862	0.6
163.07549	0.0
165.01785	1.6
165.05420	0.1
166.02571	0.5
167.03311	0.0
167.08595	0.0
169.10129	0.0
170.02057	0.3
171.02832	0.1
171.04364	0.1
171.07962	0.0
172.05154	0.2
173.02342	0.1
173.05914	0.5
175.03873	0.1
175.07486	0.1
176.04620	0.2
177.01826	0.1
177.05441	0.6
177.09062	0.0
178.02548	0.1
179.03316	0.4
181.01221	0.1
183.02818	0.4
183.04385	0.4
184.05159	0.1
185.05937	0.1
185.09494	0.0
186.03075	0.1
187.03864	0.3
187.07483	0.0
189.05431	0.3
190.02592	0.2
190.06221	0.3
191.03320	0.2
192.04071	0.2
192.09067	0.0
193.01299	0.1
194.02069	0.1
199.03859	0.1
200.04607	1.0
201.05412	2.4
202.07768	0.0
203.03328	2.1
204.04146	0.3
205.04947	0.2
205.08580	0.0
207.02811	0.1
207.06342	0.0
207.11711	0.1
208.03636	0.1
211.03860	0.1
211.11134	0.0
212.04524	0.1
213.05373	0.1
215.03386	0.1
215.07086	0.0
217.04900	3.8
218.02119	0.1
218.05685	1.7
219.02826	0.9
219.06390	0.1
220.03653	0.1
221.04520	0.0
225.05415	0.0
225.12868	0.0
227.03351	0.1
227.06837	0.1
228.04103	4.9
229.04890	6.4
230.05583	0.1
231.02809	1.5
232.03639	0.3
233.04526	0.2
233.08014	0.0
235.11136	0.1
236.03036	0.0
239.03267	0.2
240.04156	0.0
241.04893	0.0
243.02843	0.1
243.06456	0.5
244.03809	0.0
245.04378	5.1
246.05165	4.3
247.02188	0.1
247.06236	0.0
253.12187	0.1
255.02872	0.1
256.03613	0.7
257.04373	4.4
258.05261	0.2
259.02219	0.2
260.03113	0.9
261.03867	0.0
261.07483	0.7
262.25385	0.0
267.02798	0.1
269.04306	0.1
271.05942	0.7
271.13046	0.1
273.03848	4.3
274.04630	8.8
280.26138	0.2
281.11691	0.1
284.00589	0.0
284.03088	1.2
285.03851	6.4
286.04553	0.2
287.01865	0.3
288.06122	0.4
289.06787	0.1
298.27353	0.3
299.05359	0.2
299.12512	0.1
301.03333	1.0
302.04117	25.7
316.05795	0.1
316.28412	0.9
317.06451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
54.67189	1.5
55.01864	7.7
55.05502	9.5
56.05021	4.4
57.07053	7.0
57.83134	1.3
60.04513	80.1
65.03932	5.2
67.05488	28.9
69.03412	2.7
69.07047	19.8
70.06576	5.1
70.31964	3.2
70.32359	3.7
71.08581	1.4
72.04465	3.0
79.05478	83.9
81.03400	55.6
81.07034	15.7
82.06569	1.5
83.08616	8.0
85.10160	1.7
85.75214	1.5
88.07623	2.3
91.05457	36.0
93.03375	4.4
93.07027	31.8
93.36215	1.6
95.01282	1.9
95.04942	37.5
95.08583	18.3
97.06530	4.1
97.10141	5.2
103.05443	4.6
105.07011	38.4
107.04923	5.2
107.08573	53.0
109.06496	2.5
109.10152	6.3
111.11742	2.0
115.05424	3.8
117.07001	9.9
119.04968	4.0
119.05975	1.6
119.08565	21.2
121.02845	16.6
121.06476	44.7
123.04362	1.5
123.11697	2.2
125.05985	1.7
128.06203	5.2
129.07014	8.0
131.04906	3.7
131.08540	14.0
133.06483	6.5
133.10092	27.2
137.05943	2.0
141.06953	5.9
142.07756	3.3
143.08510	24.4
145.06427	15.7
145.10094	13.2
147.04401	8.1
147.07997	6.5
149.05963	12.5
151.07535	4.1
153.01831	1.8
153.06955	3.0
155.08519	10.3
157.06471	2.2
157.10120	14.4
159.08043	24.7
159.11653	4.8
161.05952	76.4
161.09584	100.0
165.06987	3.7
166.07729	2.1
167.08478	9.2
168.09332	2.8
169.06479	3.0
169.10114	4.7
171.08055	11.1
171.35645	1.4
173.09566	7.6
175.07535	4.7
177.09082	5.2
178.07761	2.1
179.08528	4.1
181.06526	1.9
181.10036	7.4
182.07304	2.0
182.10904	2.8
183.08040	7.6
183.11638	5.8
185.06026	2.5
185.09589	8.1
187.07518	3.1
187.11208	1.9
189.09071	2.9
191.08551	2.7
192.09309	6.9
193.10132	5.1
195.08046	4.8
195.11685	3.5
196.08774	2.8
197.09612	5.2
197.13231	5.0
199.07523	1.9
199.11060	2.0
199.14853	1.7
203.10667	4.2
205.08514	4.5
207.11621	17.1
209.09531	5.0
210.10382	2.5
211.07666	1.8
211.11153	13.2
213.09088	2.4
217.10112	4.4
219.11768	2.4
220.08763	2.5
225.12711	21.1
227.10635	2.3
227.14301	4.0
235.11139	23.0
237.09160	2.5
237.12718	11.2
239.10936	1.5
245.04535	1.6
253.12196	30.5
254.28401	2.2
255.10027	2.2
255.13763	6.3
268.29947	11.2
271.13220	53.9
280.29889	6.0
281.11658	19.4
298.27475	2.8
298.30978	54.2
299.12708	57.8
302.03979	3.7
316.28409	12.0
316.32056	31.3
317.06473	18.2
317.13763	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	317.065
Annotation	Milimorin
Peak:m/z	Relative Intensity
53.03918	0.4
55.01854	0.5
55.05483	0.4
63.71518	0.2
65.03927	1.4
67.05491	1.8
67.38144	0.2
68.99770	0.7
69.03419	2.9
69.07063	0.2
69.57035	1.6
69.57455	0.5
71.04982	0.4
79.05499	0.3
81.03390	1.2
81.07032	1.0
83.04940	0.3
85.06548	0.2
86.09676	0.3
88.83994	0.2
91.05448	0.9
92.02603	3.7
93.02861	0.3
93.03387	3.2
93.06998	0.7
95.04935	0.8
95.08579	0.7
97.02863	0.4
99.04438	1.2
105.07021	0.6
107.04926	0.6
107.08589	0.5
109.02850	0.6
109.06514	0.4
109.10149	2.2
111.00762	0.4
111.04415	0.3
115.05461	0.3
117.06960	0.3
119.04906	0.8
119.08563	0.8
121.02837	2.7
121.06493	0.4
121.10097	0.4
122.03602	0.3
123.04406	3.9
126.03124	1.3
126.96687	0.3
129.10208	0.3
131.04893	0.2
131.08472	0.5
133.06427	0.3
133.10098	0.3
135.04388	0.4
137.02289	0.9
137.05943	0.6
137.09579	3.5
139.03870	1.6
141.05396	0.6
142.07724	0.3
143.08521	0.3
145.02791	0.2
145.10147	0.3
147.04384	2.1
149.05977	0.3
151.03870	1.6
153.01801	19.7
153.05304	0.5
155.04921	0.4
155.10625	0.3
159.08057	0.5
159.11612	0.3
161.05957	0.8
161.09593	0.5
163.03848	0.9
165.01828	1.3
165.05444	8.3
165.06812	0.6
165.09053	2.0
166.02554	0.3
173.05920	0.7
177.05432	0.7
177.09033	0.2
179.03310	0.5
179.06944	0.3
179.08434	0.3
183.02872	0.6
183.04370	0.3
187.03896	0.4
189.05424	0.5
191.03343	0.8
198.07841	0.3
200.04637	0.8
201.05438	1.7
203.03346	2.2
207.06516	0.7
213.10071	0.2
215.03342	0.4
217.04895	3.5
218.05710	1.7
219.02869	0.9
228.04134	4.4
229.04921	6.6
231.02797	1.3
232.03589	0.5
233.04349	0.4
245.04395	4.1
246.05170	3.9
256.03656	0.6
257.04404	4.1
260.03134	0.8
261.03857	0.5
261.07501	0.6
271.06125	0.5
273.03918	3.8
274.04684	7.9
284.03085	1.0
285.03888	6.8
285.06488	0.2
286.04449	0.3
287.01862	0.4
287.10129	1.3
288.06067	0.3
289.03458	0.9
289.11929	0.3
301.03549	0.6
302.04166	22.6
303.04529	0.7
317.06506	100.0
318.06876	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0651
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03927	0.2
55.01859	0.3
55.05489	0.3
65.03931	1.1
66.02803	0.1
67.01859	0.2
67.05477	1.0
68.99756	0.7
69.03403	0.6
69.07037	0.4
70.06596	0.2
70.63393	0.4
70.84161	0.1
79.05474	1.9
81.03397	1.3
81.07040	0.5
83.04957	0.5
83.66263	0.1
85.02914	0.2
86.09675	0.4
91.05467	1.4
92.02601	3.1
93.02853	0.2
93.03392	2.9
93.07038	0.8
95.01295	0.2
95.04960	1.1
95.08524	0.2
97.02860	0.3
97.06511	0.3
105.07011	0.9
107.04903	0.2
107.08586	1.2
109.02875	0.2
109.06520	0.2
109.10120	0.4
111.00768	0.2
111.04456	0.8
115.05453	0.2
117.06980	0.5
119.04902	0.2
119.08546	0.6
120.04391	0.2
121.02840	2.2
121.06468	1.0
122.03599	0.3
123.04411	1.0
124.01514	0.2
126.03136	0.9
128.06145	0.3
129.06969	0.5
131.04906	0.3
131.08517	0.7
133.02795	0.2
133.06453	0.3
133.10086	0.8
135.04395	0.2
135.08038	0.2
136.07541	0.2
137.02304	0.7
137.05914	0.2
137.09578	0.4
139.03867	2.1
141.06984	0.3
142.07753	0.5
143.08539	0.9
145.02756	0.2
145.06473	0.8
145.10077	0.5
146.05975	0.2
147.04353	0.5
147.08026	0.3
149.02332	0.2
149.05969	0.2
150.03099	0.3
151.03873	1.2
151.07520	0.2
152.01089	0.2
153.01796	17.9
155.04872	0.3
155.08569	0.4
157.06456	0.2
157.10110	0.5
157.13326	0.2
159.04344	0.2
159.08009	1.1
159.11629	0.2
160.08759	0.3
161.05975	1.8
161.09608	2.8
163.03891	0.4
163.18976	0.1
164.05948	0.1
165.01802	1.4
165.05449	1.3
165.06866	0.2
166.02603	0.4
167.08524	0.6
168.09204	0.2
169.10100	0.4
170.02098	0.3
171.07980	0.4
172.05119	0.2
173.05939	0.4
173.09555	0.3
175.07597	0.2
176.04597	0.2
177.05405	0.4
177.08997	0.2
179.03360	0.3
179.08530	0.4
181.10052	0.4
183.02890	0.3
183.04340	0.3
183.08023	0.2
183.11627	0.2
185.09602	0.4
187.03920	0.4
187.11098	0.2
189.05489	0.3
191.03358	0.2
192.04099	0.2
192.09247	0.2
193.10066	0.2
194.10849	0.3
197.09428	0.1
197.13252	0.3
199.11214	0.2
200.04649	0.6
201.05392	1.9
203.03349	1.5
204.04129	0.3
205.04929	0.2
206.09448	0.1
207.11629	0.5
209.09546	0.2
209.13187	0.3
211.03917	0.2
213.12820	0.3
217.04918	3.3
218.05743	1.3
219.02855	0.6
225.12631	0.7
226.97379	0.1
227.14200	0.2
228.04112	3.7
229.04927	6.7
230.05351	0.2
231.02797	1.0
231.10124	0.5
232.03638	0.3
233.04498	0.2
235.11148	0.7
237.12683	0.2
243.06474	0.3
245.04405	3.9
246.05208	3.1
247.02356	0.3
253.12201	1.1
255.13716	0.2
256.03647	0.4
257.04407	4.5
257.12772	0.3
260.03116	0.6
261.03946	0.3
261.07626	0.4
267.02753	0.2
271.06039	0.4
271.10693	0.3
271.13229	2.4
273.03879	3.3
274.04660	8.9
281.11664	0.5
284.03152	0.8
285.03879	7.5
286.04767	0.3
287.01691	0.2
287.10126	0.9
288.06165	0.3
289.03333	0.3
289.11667	0.2
289.14407	0.2
299.09909	0.8
299.13022	1.1
301.03323	0.7
302.04153	24.6
303.04456	0.5
316.27606	0.2
317.06494	100.0
318.06839	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36699	0.1
65.03923	1.0
68.99841	0.5
69.91763	1.1
72.85795	0.2
79.05518	0.4
81.03470	0.3
84.58591	0.2
92.02612	3.9
93.03399	2.7
94.08225	0.2
95.01365	0.2
95.05013	0.3
100.01505	0.2
105.07018	0.2
107.08665	0.2
109.02872	0.3
111.00823	0.4
119.08615	0.2
121.02857	2.8
121.03645	0.2
122.03667	0.3
123.04447	0.3
124.01559	0.3
126.03130	1.4
130.14777	0.2
131.05002	0.3
133.02908	0.2
135.04457	0.3
137.02348	0.8
139.03882	1.5
145.06459	0.4
147.04419	0.3
150.03091	0.3
151.03911	1.6
151.05072	0.2
153.01808	18.7
155.04979	0.3
161.06021	0.5
161.09660	0.6
161.22296	0.2
163.03915	0.4
165.01782	1.1
165.05504	0.3
166.02664	0.5
173.05989	0.4
177.01968	0.2
177.05481	0.4
179.03362	0.3
183.02972	0.3
183.04465	0.3
187.03909	0.3
189.05507	0.2
190.02570	0.2
190.06282	0.4
192.04237	0.2
200.04678	1.1
201.05423	2.0
203.03329	1.8
204.04124	0.4
217.04953	3.5
217.06886	0.3
218.05733	1.5
219.02870	0.9
228.04143	3.9
229.04926	7.3
230.05678	0.3
231.02829	1.2
232.03600	0.3
233.04553	0.2
239.03383	0.5
245.04453	4.2
246.05217	3.6
256.03683	0.4
257.04425	4.8
258.05115	0.2
260.03131	0.8
261.03717	0.3
261.07605	0.4
271.06116	0.4
271.13269	0.3
273.03888	3.6
274.04684	7.7
284.03098	0.8
285.03900	8.1
286.04456	0.4
287.01923	0.3
288.06296	0.5
289.03430	0.4
301.03336	0.6
302.04175	22.0
303.04480	0.8
317.06512	100.0
318.06900	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Milimorin
Peak:m/z	Relative Intensity
60.62524	0.3
65.03915	1.5
67.01888	0.4
68.99776	0.7
69.32909	0.4
69.33473	3.8
69.33810	0.7
77.35036	0.3
91.03754	0.3
92.02611	5.5
93.03387	3.7
94.04155	0.5
98.21436	0.7
109.02769	0.3
111.00784	0.7
121.02837	2.8
122.03635	0.4
126.03115	2.0
137.02261	1.0
137.05945	0.4
139.03877	1.0
147.04276	0.4
151.03899	1.8
152.00993	0.3
153.01797	28.9
155.04866	0.6
159.36267	0.3
161.05971	0.4
165.01787	1.9
166.02647	0.6
170.35017	0.3
173.05946	0.5
177.05374	0.7
179.03336	0.4
189.05292	0.4
200.04622	1.0
201.05435	2.7
203.03383	2.7
204.04182	0.6
217.04897	6.1
218.05666	1.8
219.02849	0.7
228.04112	5.6
229.04913	7.8
231.02873	1.2
243.06485	0.5
245.04420	6.0
245.06660	0.5
246.05153	5.0
256.03601	0.7
257.04401	4.3
260.03073	0.9
261.07565	0.7
271.06036	0.4
273.03897	4.6
274.04663	9.0
284.03091	1.4
285.03888	7.8
287.01889	0.5
288.06024	0.4
301.03409	0.8
302.04160	29.8
303.04489	0.6
317.06497	100.0
318.06833	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	317.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45674	0.2
65.03916	0.7
68.99776	0.5
91.05460	0.3
92.02079	0.3
92.02614	3.5
93.03384	3.3
95.04961	0.3
98.20731	0.5
105.06941	0.2
111.00772	0.7
120.02037	0.2
121.02831	2.6
126.03098	0.8
137.02312	0.8
137.05952	0.2
138.03088	0.2
139.03885	1.0
145.06416	0.2
147.70250	0.2
150.03050	0.3
151.03857	1.3
153.01802	19.9
155.04831	0.4
160.09036	0.2
161.05910	0.6
161.09546	0.2
163.03850	0.6
165.01822	1.3
166.02621	0.4
173.05952	0.5
177.05426	0.6
179.03386	0.3
183.02884	0.4
183.04358	0.3
189.05493	0.2
190.02621	0.2
190.06123	0.3
194.01939	0.2
200.04666	0.8
201.05452	2.5
203.03325	1.7
204.04178	0.3
217.04921	3.1
218.05745	1.3
219.02847	0.4
228.04120	4.0
229.04922	5.3
230.05412	0.2
231.02809	1.4
231.10080	0.3
243.06473	0.4
245.04387	3.8
246.05197	3.4
256.03586	0.6
257.04388	4.2
260.03134	1.1
261.07507	0.9
271.06067	0.4
273.03891	4.4
274.04688	8.5
274.07706	0.4
275.04999	0.2
284.03119	0.8
285.03915	6.6
286.04520	0.4
287.01794	0.3
288.06314	0.4
297.13284	0.2
301.03387	0.3
302.04153	25.6
303.04572	0.5
317.06506	100.0
318.06912	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63177	0.2
60.82442	0.2
65.03909	0.8
66.05395	0.2
68.99763	0.7
70.88045	0.6
92.02602	3.6
93.02913	0.3
93.03389	2.9
111.00771	0.3
120.55698	0.3
121.02840	2.0
124.05193	0.3
126.03107	0.9
127.86928	0.3
134.59773	0.3
137.02312	0.6
139.03894	1.8
139.49080	0.3
150.03038	0.5
151.03857	2.1
152.00987	0.3
153.01793	19.1
155.04829	0.3
165.01799	0.9
166.02563	0.3
173.06084	0.3
177.05493	0.5
180.75024	0.3
183.02852	0.4
187.03920	0.3
200.04639	1.0
201.05412	1.8
203.03351	1.7
204.04182	0.4
217.04927	3.8
218.05705	1.6
219.02902	0.6
228.04115	3.4
229.04912	7.9
231.02864	1.2
232.03571	0.4
245.04387	4.1
246.05202	3.7
247.92986	0.3
256.03595	0.5
257.04373	5.6
260.03149	0.9
260.23737	0.3
261.07523	0.6
271.06012	0.5
273.03818	3.0
274.04660	6.9
284.03207	0.8
285.03879	8.1
286.04562	0.3
288.06107	0.5
301.03448	0.4
302.04156	22.6
303.04419	0.4
317.06494	100.0
318.06851	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0648
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.17785	0.2
57.62586	0.2
61.03498	0.2
65.03915	0.7
68.99776	0.8
70.71968	0.8
75.71869	0.2
91.05492	0.3
92.02603	4.8
93.03385	4.0
95.64931	0.2
104.69044	0.2
104.83034	0.2
105.03368	0.2
107.01354	0.3
111.00751	0.6
121.02837	3.2
122.03586	0.4
123.04415	0.3
124.01575	0.3
126.03088	1.5
131.04820	0.3
133.02792	0.3
137.02283	0.7
139.03859	0.8
145.06436	0.4
150.03140	0.2
151.03856	1.2
153.01791	22.6
155.04868	0.3
161.05945	0.4
161.28778	0.2
163.03853	0.4
165.01782	1.3
166.02589	0.6
173.05923	0.5
177.01839	0.3
177.05400	0.5
179.03369	0.5
183.02866	0.5
183.04387	0.6
187.03864	0.5
189.05426	0.3
190.06117	0.3
191.03246	0.3
200.04669	1.1
201.05438	2.2
203.03351	2.1
204.04124	0.4
217.04895	4.8
218.05731	1.6
219.02879	0.8
228.04120	5.2
229.04903	7.2
229.07147	0.4
231.02867	1.4
232.03682	0.4
242.22000	0.3
243.06577	0.3
245.04396	5.9
246.05161	4.1
256.03625	0.9
257.04413	3.8
260.03107	1.0
261.07538	0.6
271.05939	0.4
273.03860	4.3
274.04672	8.4
284.03082	1.0
285.00687	0.4
285.03882	7.1
286.04376	0.3
288.06430	0.4
301.03387	0.5
302.04150	23.7
303.04398	0.4
311.12421	0.2
317.06491	100.0
318.06839	1.0
330.86075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.00033	0.2
61.46418	0.2
65.03912	0.8
68.99773	0.6
69.87849	0.7
69.88264	0.5
75.81084	0.2
92.02602	3.1
93.03382	3.6
109.02884	0.3
111.00777	0.3
121.02846	2.5
126.03084	1.1
133.02785	0.2
137.02269	0.7
139.03853	1.0
145.06419	0.3
150.03000	0.2
151.03851	1.3
153.01797	18.3
153.83661	0.2
155.04904	0.4
163.03844	0.4
165.01845	1.5
166.02589	0.4
170.01927	0.2
173.05981	0.5
177.05441	0.5
179.03340	0.4
183.02884	0.4
183.04349	0.3
187.04007	0.3
190.06264	0.4
200.04617	1.0
201.05414	2.0
203.03384	1.7
217.04924	2.9
218.05727	1.2
219.02866	0.5
228.04138	4.1
229.04916	5.2
230.05592	0.3
231.02859	1.2
232.03685	0.4
243.06546	0.4
245.04393	4.3
246.05170	3.6
256.03726	0.6
257.04388	3.4
257.06927	0.3
260.03064	0.6
261.07449	0.3
273.03830	3.2
274.04660	6.9
284.03180	0.6
285.03900	4.9
286.04526	0.3
287.01770	0.3
288.06213	0.3
299.05435	0.3
301.03699	0.3
302.04160	21.3
303.04596	0.3
317.06497	100.0
318.06870	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	317.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
53.49080	0.2
65.03923	1.2
67.05480	0.5
68.99776	0.7
69.03423	0.3
69.07058	0.4
69.71290	1.7
75.09351	0.2
79.05483	1.0
81.03374	0.3
81.07056	1.2
91.05455	0.8
92.02087	0.3
92.02608	3.2
93.03393	2.9
93.07005	0.7
95.04945	0.7
95.08577	0.4
105.07037	0.9
107.04975	0.2
107.08577	1.2
109.02844	0.4
109.06483	0.4
109.10133	0.6
111.00749	0.4
117.06985	0.2
119.08541	0.7
121.02195	0.2
121.02861	2.4
121.06438	1.1
121.10104	0.3
122.03580	0.3
123.04435	0.3
123.07987	0.3
124.05159	0.2
126.03112	1.1
129.06999	0.4
131.08542	0.2
133.10117	0.4
135.04404	0.3
135.08047	0.5
135.80692	0.2
137.02309	0.6
137.05978	0.4
139.03905	1.1
143.08543	0.4
145.06480	0.2
145.10092	0.6
147.04314	0.3
147.08044	0.2
150.02988	0.2
151.03880	1.4
153.01802	18.2
154.02121	0.2
155.08516	0.2
157.10100	0.4
159.08043	0.3
159.11623	0.4
161.05962	0.6
161.09595	0.9
163.03865	0.8
165.01830	1.1
165.05432	0.3
166.02673	0.3
170.02072	0.3
171.11732	0.2
172.11238	0.3
173.05896	0.3
177.05409	0.3
183.02870	0.3
183.04399	0.2
185.13213	0.3
190.06155	0.3
197.13287	0.3
200.04683	0.9
200.10724	0.4
201.05447	1.7
203.03337	1.4
204.04202	0.4
217.04935	3.0
218.05737	1.3
218.11748	1.2
219.02888	0.8
228.04141	4.0
228.10153	0.7
229.04953	5.0
229.15968	0.2
230.05606	0.3
231.02855	1.4
243.06450	0.3
245.04410	4.2
246.05186	3.3
246.11235	0.4
253.12054	0.2
256.03534	0.5
257.04391	3.0
260.03134	0.8
261.07520	0.5
271.05951	0.5
271.20432	0.3
272.09109	0.3
272.20013	0.3
273.03888	3.2
273.20438	0.5
274.04681	7.4
284.03088	0.7
285.03891	5.1
286.04486	0.3
287.01932	0.3
288.06229	0.6
289.11716	0.5
299.05682	0.2
299.12939	0.3
299.20001	0.5
301.03394	0.6
302.04166	22.3
303.04663	0.4
316.22791	0.3
317.06509	100.0
317.20477	1.5
318.06900	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	317.1013
Annotation	Eriodictyol 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
50.90958	0.6
53.03933	0.9
55.01851	2.7
55.05487	1.0
58.34195	0.7
65.03920	1.3
67.05482	2.9
68.99786	1.0
69.03417	20.3
69.07041	1.4
70.06567	1.0
71.57177	0.7
77.03910	1.2
79.01861	0.7
79.05478	8.0
81.03407	5.9
81.07030	1.7
82.06618	0.6
83.04985	1.2
85.02865	1.6
91.05463	9.6
93.07045	3.6
95.04953	6.1
97.02888	0.9
98.21310	0.8
103.05439	0.8
105.03371	1.1
105.07013	4.7
107.04927	1.4
107.08552	3.8
109.02912	0.7
109.06462	1.8
111.04420	2.2
115.05457	0.8
117.06998	1.5
119.04933	10.5
119.05742	1.3
119.08519	0.9
121.02825	2.7
121.06501	4.0
123.04408	76.3
124.04740	3.3
125.05951	0.9
127.03891	0.9
128.06218	1.0
129.07039	1.6
131.04904	1.0
131.08569	1.6
133.06458	2.2
133.10100	2.4
135.04390	1.2
137.02350	1.4
137.05933	3.3
139.03874	12.9
141.05447	3.7
142.07732	0.9
143.04878	1.0
143.08531	2.7
144.10362	0.7
145.06459	1.6
145.10114	1.4
147.04387	27.0
149.05991	4.9
151.03851	2.0
151.07521	0.7
153.01796	6.1
153.05440	4.6
155.03340	0.8
155.08647	1.4
156.10161	1.4
157.10080	1.2
159.08023	2.9
161.04721	1.1
161.05960	12.9
161.09575	8.7
163.03960	1.5
163.07571	0.6
165.01804	7.8
165.05453	100.0
166.05792	2.0
167.03403	1.5
167.07066	1.1
167.08519	0.6
171.08051	1.2
173.09503	0.8
177.05473	3.9
179.03401	2.8
179.06999	5.3
179.08568	1.3
183.02861	8.9
183.08044	0.8
189.05435	2.4
192.09329	0.9
195.02855	3.3
195.06488	3.7
207.02698	0.9
207.06462	6.0
207.08153	1.0
207.11604	0.9
225.12726	2.2
229.04996	0.7
235.11240	1.6
237.12787	0.8
243.11269	0.8
253.12213	2.4
257.08179	1.0
271.10306	1.0
271.13217	5.5
281.11713	1.8
287.10355	1.4
299.05399	1.6
299.09479	2.2
299.12808	4.8
300.05710	0.7
317.02670	1.2
317.06470	14.8
317.10263	24.8
318.06750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1012
Annotation	Eriodictyol 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
51.02388	0.6
53.03943	0.6
55.01862	2.7
55.05516	0.7
57.03432	0.6
57.57367	0.4
65.03932	1.3
67.05502	3.2
68.03349	0.4
68.99773	1.7
69.03040	1.0
69.03417	20.4
69.07048	1.6
70.06572	0.9
71.68760	0.8
72.08143	0.6
77.03909	0.6
79.05479	8.6
81.03409	5.6
81.07053	1.4
83.04964	1.3
84.08133	0.8
85.02898	1.3
91.05464	8.3
92.02621	0.6
93.03371	1.4
93.07045	3.1
95.04961	5.5
95.08593	0.6
97.02839	0.8
103.05438	1.2
103.31252	0.5
105.03357	1.4
105.07009	4.8
107.04932	1.7
107.08571	5.1
109.06516	1.4
111.04434	1.3
115.05412	1.4
117.07003	2.2
118.03690	0.4
119.04927	9.3
119.08566	1.5
121.02853	3.9
121.06490	3.6
122.05985	0.5
123.04411	66.8
124.04735	2.1
125.05969	0.9
128.06200	1.0
129.06966	1.2
131.04880	1.1
131.08511	2.4
133.06467	1.8
133.10104	2.3
135.04391	1.1
137.02309	0.9
137.05966	2.8
139.03893	7.0
141.05444	4.7
141.06976	1.4
143.04901	1.6
143.08510	2.4
145.06462	1.8
145.10081	1.3
147.04384	26.3
147.08098	0.7
148.04753	0.7
149.02344	0.7
149.05963	4.5
149.09663	0.4
151.03879	1.3
151.07542	0.7
153.01811	5.0
153.05457	6.6
153.06738	0.8
155.08527	1.5
157.10077	0.8
159.08005	5.4
159.11615	0.8
161.05959	11.9
161.09599	8.9
163.03867	1.9
165.01811	6.8
165.05449	100.0
166.05765	1.5
167.03427	0.9
167.08493	1.0
169.06401	0.7
169.10110	0.6
171.08028	1.6
173.05934	0.7
173.09601	0.9
177.01857	0.5
177.05467	3.9
177.09061	0.7
179.03319	1.4
179.06975	3.7
179.08669	1.4
181.10045	1.1
183.02852	6.9
183.08022	1.2
185.09593	0.8
187.07602	1.0
189.05484	2.2
191.03259	0.8
192.09235	1.7
195.02863	2.7
195.06514	3.7
195.08046	0.8
197.09505	0.6
197.13229	1.0
202.07582	0.5
205.08638	0.7
207.02893	0.8
207.06458	6.3
207.11639	1.7
209.09560	0.9
211.11143	0.7
217.10156	0.8
225.12636	2.3
227.14334	0.6
229.04910	0.5
235.11086	3.1
237.12630	0.8
253.12180	2.9
255.13744	0.5
257.04419	0.6
257.08243	0.5
271.10651	0.6
271.13226	4.6
273.03732	0.5
274.04565	0.7
281.11649	2.6
287.10132	1.5
289.11826	0.8
299.05731	0.7
299.09286	2.0
299.12717	4.4
302.04022	1.6
305.82333	0.6
317.06412	14.7
317.10138	23.2
317.13715	5.8
317.20938	0.9
318.06738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1376
Annotation	Pochonin F
Peak:m/z	Relative Intensity
51.02361	1.0
53.03933	6.2
55.01862	7.8
55.05483	1.5
65.03923	6.9
66.17195	1.1
67.05491	19.2
69.03400	4.1
69.07068	8.0
70.48764	1.2
70.98808	0.8
77.03936	1.6
78.04687	1.1
79.05481	83.4
80.37682	0.8
81.03403	62.0
81.07050	5.7
83.04942	2.2
91.05464	47.0
93.03368	5.2
93.07027	33.9
95.01320	3.3
95.04949	34.5
95.08556	1.9
97.06496	4.1
103.05434	6.5
105.04517	1.2
105.07015	38.0
107.04937	4.3
107.08574	48.3
109.06479	3.2
111.04436	0.9
115.05426	3.9
117.07000	12.9
119.04931	4.3
119.08558	16.7
121.02849	21.7
121.06487	38.5
125.05936	2.4
128.06201	7.6
129.06993	12.7
130.07782	2.3
131.04944	5.5
131.08548	16.9
133.06473	7.2
133.10100	29.2
137.05963	2.3
141.07001	6.7
142.07747	3.5
143.08528	22.2
144.09277	1.0
145.06464	18.8
145.10107	12.3
147.04356	5.3
147.08040	5.9
149.05933	11.8
151.07512	2.8
152.06181	2.2
153.06914	3.1
154.07758	2.2
155.08528	10.4
156.09291	1.0
157.06447	3.9
157.10089	13.2
158.07225	1.2
159.08029	25.3
159.11664	3.9
160.08812	1.0
161.04527	1.9
161.05956	74.2
161.09590	100.0
165.06998	4.9
166.07721	3.4
167.07117	1.4
167.08514	10.7
168.09305	3.0
169.06482	4.2
169.10083	6.2
170.07253	1.5
171.08006	11.5
171.11708	1.2
172.08760	1.0
173.09589	7.1
175.07518	3.1
177.09102	3.8
178.07745	4.1
179.08528	6.1
180.09331	1.7
181.06435	1.4
181.10063	6.2
181.11465	1.0
182.07275	1.4
182.10881	4.1
183.08055	8.5
183.11606	5.6
184.08789	1.4
185.05949	1.7
185.09602	7.2
187.07501	2.3
191.08487	2.2
192.09283	9.3
192.81825	0.9
193.08496	0.8
193.10083	5.3
193.65623	0.9
194.10904	1.8
195.08029	6.1
195.11659	1.8
196.08746	2.0
197.09563	4.6
197.13235	6.1
199.07443	1.5
199.11154	3.2
201.09064	0.9
202.07736	1.4
203.10570	2.6
204.09222	1.3
205.06561	1.0
205.08571	2.6
207.08105	1.4
207.11647	13.0
209.09619	5.6
209.13176	3.3
210.10397	1.6
211.07553	1.6
211.11159	9.0
213.09079	1.0
215.14496	1.1
217.08388	1.4
217.10205	2.7
219.11563	1.3
220.08771	3.9
225.09238	1.1
225.12714	20.0
227.10709	1.8
227.14246	2.9
235.11134	21.4
235.13397	1.5
237.09109	2.1
237.12695	10.6
238.09946	1.6
239.07027	1.1
239.10677	0.9
253.12209	26.2
253.14778	1.9
255.13802	4.0
257.11862	1.1
263.10596	2.0
271.13245	47.1
272.13675	0.9
281.11670	17.6
299.12732	45.1
317.13779	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1378
Annotation	Pochonin F
Peak:m/z	Relative Intensity
55.05533	4.2
60.03567	5.3
67.05487	17.4
69.07052	9.2
69.37164	51.8
71.11671	4.5
79.05473	69.9
81.03407	45.3
81.07072	7.9
84.68804	3.9
91.05461	24.5
93.03368	5.0
93.07034	20.7
95.04949	26.7
98.21474	8.4
103.05424	4.1
105.07014	25.8
107.08572	54.4
109.06519	5.6
117.07032	8.1
119.08541	15.7
121.02813	13.9
121.06486	38.7
128.06235	6.9
131.08569	13.4
133.06483	4.9
133.10100	30.5
137.92781	4.1
143.01384	4.3
143.08557	18.9
145.06470	10.6
145.10136	10.4
149.05946	9.6
151.07533	5.7
155.08514	9.1
157.06412	6.7
157.10114	12.3
159.08038	18.5
161.05965	76.3
161.09598	100.0
162.09947	6.2
167.08565	8.7
171.07996	11.8
179.08495	4.2
181.10036	6.0
185.09532	6.1
195.08130	4.5
197.13277	7.8
207.11661	9.6
211.11131	10.4
220.08852	7.2
225.12735	24.6
234.54500	4.9
235.11122	22.8
237.12784	11.4
242.12238	4.5
253.12170	31.2
271.13272	46.6
281.11740	20.6
299.12726	50.6
317.06613	6.8
317.13766	42.1
318.14224	4.3
331.32254	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	317.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01852	4.7
55.05492	3.7
65.03924	4.2
67.05492	9.1
69.03407	5.6
69.07043	3.7
69.43423	6.1
69.43853	3.8
71.04955	1.6
74.33042	1.1
79.05080	1.8
79.05480	18.9
81.03404	30.6
81.07043	6.9
83.04971	2.4
91.05463	19.6
92.02592	4.2
93.03382	12.2
93.07023	14.1
95.01324	1.6
95.04396	2.0
95.04949	23.2
95.08592	5.0
97.06497	1.9
98.21600	1.2
103.05470	1.8
105.07009	19.3
107.04933	3.7
107.08560	9.0
109.06494	5.4
109.10106	3.8
111.04369	1.2
115.05440	4.0
117.06998	8.6
119.04904	1.3
119.08549	10.4
121.02840	35.0
121.06477	12.5
121.10110	3.2
123.04388	1.1
126.03103	1.5
128.06190	7.0
129.07025	6.1
131.04909	3.7
131.08539	30.4
133.06433	4.5
133.10086	9.7
135.04370	2.8
135.08025	5.2
137.05927	3.6
137.09575	1.2
139.03825	2.3
141.06960	13.3
142.07730	3.0
143.08540	13.9
144.05673	3.9
145.06441	8.8
145.10100	7.7
146.07263	1.2
147.04378	2.0
147.07994	4.4
147.11624	3.2
149.05952	4.3
149.09589	3.3
151.03908	2.2
151.07510	1.6
152.06256	1.7
152.89519	1.2
153.01801	25.9
153.06932	2.6
154.07782	2.6
155.08540	5.2
157.06494	1.9
157.10077	7.4
158.06941	1.2
159.08018	72.4
159.11676	1.8
160.08438	2.0
161.05969	13.9
161.09590	22.8
163.11063	1.7
165.01843	2.3
165.05626	1.5
165.06958	6.3
166.07759	2.5
167.08531	18.5
168.09186	2.1
169.06432	4.7
169.10118	5.5
170.07185	1.6
171.08096	5.9
171.11650	1.3
173.09593	3.5
173.13326	1.5
175.07477	1.8
175.11125	2.3
177.09100	10.1
178.07758	3.1
179.07144	1.2
179.08510	7.5
180.09195	1.3
181.06410	3.0
181.10085	7.1
182.06935	1.5
182.10837	2.2
183.07991	4.0
183.11665	4.0
185.09589	7.4
187.07533	3.5
187.11017	1.2
187.14691	1.3
189.09084	3.9
191.08495	3.3
192.09290	12.3
193.10059	5.2
194.07185	1.4
195.08073	3.9
195.11465	1.3
196.08659	1.6
197.05942	2.8
197.09563	3.3
197.13248	4.4
198.06693	5.4
199.06998	6.1
199.11101	1.5
199.14644	1.3
200.07314	5.8
201.05435	2.8
202.07738	6.2
203.03445	2.1
203.08492	2.2
203.10567	1.6
205.08575	8.3
207.11674	15.7
209.09593	3.7
209.13213	1.7
210.10381	1.7
211.11186	6.1
213.09120	1.8
217.04921	4.7
217.08443	1.5
217.10147	11.4
218.05617	1.7
219.08130	1.5
219.11502	1.6
220.08859	6.9
221.09543	2.4
222.10110	1.3
225.05505	1.7
225.09111	1.5
225.12691	15.7
226.06119	2.9
227.06300	2.7
227.14258	2.4
228.04333	6.1
228.06549	5.7
229.04926	10.2
235.11136	23.3
236.11577	1.7
237.08943	1.6
237.12755	5.5
245.04341	6.2
246.05199	5.5
253.12175	24.3
253.19336	1.7
254.05602	8.9
254.12427	1.5
255.06024	8.3
255.13695	2.5
256.06241	42.2
257.04370	5.7
257.06702	1.5
257.11624	1.7
260.02972	1.3
263.10660	2.2
271.05453	2.5
271.13239	21.3
271.20560	1.1
272.06064	4.1
273.03775	4.6
273.06546	5.1
274.04651	9.8
281.11703	13.7
282.05121	3.0
283.05026	12.4
284.05743	19.4
285.03879	8.4
285.06537	3.1
286.04507	2.2
287.04538	1.6
288.05307	3.7
299.12708	22.0
299.20007	2.8
300.12976	1.5
301.06006	19.3
302.04105	26.7
302.06900	6.9
303.04562	2.4
317.06390	99.3
317.09262	96.1
317.13763	100.0
317.20813	8.9
318.06442	11.2
318.09653	3.6
318.13892	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	318.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.1
54.74562	2.1
55.01874	3.0
57.03412	5.9
57.56070	2.5
61.02924	8.8
64.34231	2.3
67.05497	2.8
69.03415	19.8
70.92848	4.6
70.93225	4.7
71.04981	3.4
71.41938	2.2
73.02899	4.4
79.05479	5.4
81.03409	10.3
84.04465	2.7
85.02382	5.8
85.02888	100.0
86.09702	4.2
91.03950	6.2
91.05471	3.5
92.26322	3.2
93.07018	5.0
97.02876	24.2
99.04461	3.7
108.08981	2.4
109.02862	7.6
121.06479	71.5
122.06782	4.2
123.04386	2.5
127.03912	21.1
138.05469	12.0
139.03897	11.0
140.04251	8.9
145.04941	35.9
151.03918	3.2
156.06558	6.6
156.10222	9.2
159.08022	3.0
161.05939	6.6
162.06342	4.8
162.07593	3.5
162.09900	4.6
163.03896	4.5
163.05965	5.2
178.21797	2.3
180.08714	13.2
187.07516	8.6
205.08568	8.7
229.08597	3.7
247.09677	3.5
272.13629	5.9
300.05948	3.1
300.13049	4.0
318.06830	6.7
318.14096	3.3
319.13406	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	318.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01863	4.9
57.03425	5.4
61.02915	7.2
67.05473	3.7
68.72992	3.0
68.99782	4.4
69.03420	20.4
69.07076	4.4
70.06211	6.6
70.06581	100.0
71.69496	4.8
72.08142	6.5
73.02896	5.1
79.83358	2.7
81.03403	7.9
85.02888	83.6
85.68317	2.9
86.03217	4.3
86.09680	10.0
91.03935	5.7
91.05464	7.5
97.02885	16.7
109.02885	10.5
110.06000	4.0
110.07155	7.1
116.06943	3.7
121.06487	70.5
123.04367	19.3
124.03934	7.7
124.04743	8.2
126.33762	3.0
127.03893	21.8
130.06514	6.9
132.04478	6.3
137.05943	4.6
138.05481	27.1
138.09137	5.9
139.03909	13.7
145.04933	22.6
145.06282	3.6
156.06551	11.6
156.10182	4.4
157.07594	12.8
158.06027	6.7
159.08086	4.9
161.05937	5.6
163.03851	5.7
163.05951	4.7
165.05437	13.6
166.05887	15.6
172.16788	3.2
175.08646	14.3
180.08606	4.3
181.90143	3.7
187.07503	13.4
189.05473	6.6
190.05766	11.7
201.12572	3.7
205.08475	7.3
216.30731	3.0
221.09093	17.8
247.09810	3.2
254.05124	5.1
258.04742	11.9
265.83862	3.6
282.04715	11.4
283.10400	3.6
300.10187	6.5
300.13428	8.9
301.11365	6.1
318.07166	4.8
318.10764	8.1
318.14398	7.8
319.12866	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	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01857	0.7
55.05497	0.7
57.03413	1.3
59.31778	0.3
60.32013	0.3
61.02900	1.6
61.52226	0.4
63.72623	0.3
67.05502	0.6
68.92921	0.3
69.03417	3.9
69.07055	1.4
70.06573	1.2
70.82037	0.8
70.82413	0.8
71.04978	0.5
72.08126	0.6
73.02876	0.5
79.05469	1.4
81.03409	2.0
81.07046	0.5
82.03712	0.4
82.06567	1.1
84.08120	0.4
85.02898	8.1
86.09686	0.8
87.04480	0.6
91.05457	1.4
93.07039	1.9
93.07524	0.3
95.04942	0.6
95.08576	1.9
96.04472	2.8
96.08125	2.1
97.02876	3.0
97.05267	2.4
97.06506	1.5
99.04417	0.7
100.07608	0.5
102.19042	0.4
107.08540	0.4
108.08068	0.4
108.08829	0.4
109.02871	1.1
109.06541	0.7
110.06020	5.5
110.09673	3.7
111.08041	1.0
120.08069	1.0
121.02880	0.6
121.06471	1.7
123.04407	1.8
124.04755	1.0
125.08393	0.8
126.09129	9.3
127.03877	1.3
130.06581	0.5
133.02802	0.4
135.04431	0.5
137.05952	1.0
138.05486	1.6
138.09122	22.2
139.03876	1.3
139.07512	1.7
140.04158	0.5
144.08827	0.4
145.04890	0.8
147.04454	0.4
151.03905	0.7
152.10704	0.8
153.01784	1.0
156.10178	100.0
157.10551	1.7
160.08438	0.4
161.05927	0.8
161.09579	0.8
162.06334	0.4
162.09976	0.8
163.03891	0.7
165.05409	1.4
166.05774	1.5
168.10165	1.0
180.10173	0.6
198.11205	1.1
226.11005	0.5
226.13013	0.4
254.12541	0.5
255.06491	0.5
272.13666	0.9
273.07376	0.6
283.05908	0.6
283.10779	0.4
300.13290	1.1
301.06946	0.6
301.11847	1.8
318.06836	0.7
318.10571	1.0
318.14981	2.0
319.04547	2.0
319.12582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2996
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
52.06223	0.5
52.25320	0.6
55.05502	4.4
56.05022	7.9
57.03416	0.8
57.07062	3.6
58.02942	0.6
58.06590	0.8
58.86451	0.6
60.04512	100.0
61.04847	0.8
67.05498	3.2
69.07048	4.0
70.15370	0.9
70.15782	2.2
71.08611	1.8
72.04504	1.2
73.11327	0.6
74.06072	2.8
78.55863	0.6
79.05473	1.9
80.53063	0.7
81.07040	4.8
82.06566	0.9
83.04966	1.0
83.08604	2.5
83.68211	0.6
85.10172	1.4
86.06062	1.2
88.01971	0.7
88.07621	2.5
90.05537	1.9
93.07030	2.2
95.08592	4.9
97.10137	1.7
109.10137	2.0
121.10139	0.8
122.26183	0.6
135.11676	0.8
145.33522	0.7
154.49576	0.6
163.38991	0.6
207.09686	0.6
226.87384	0.7
252.26750	1.5
254.28323	1.1
264.26862	2.1
270.27890	4.9
282.27859	17.0
300.28909	15.8
301.29166	0.8
309.38431	0.6
311.40060	0.6
318.29965	35.5
319.30249	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	319.0441
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01856	0.3
59.62737	0.1
59.63359	0.1
65.03924	0.6
67.01836	0.4
67.05480	0.5
68.02181	0.1
68.99774	4.3
69.03415	0.4
69.47202	1.4
71.01310	0.1
73.02905	0.1
73.85304	0.1
79.01828	0.5
79.05463	0.4
81.03401	0.7
81.07046	0.3
91.05460	0.5
92.05036	0.2
93.03398	0.3
93.07043	0.2
94.04160	0.3
95.04945	0.7
97.02872	0.7
100.32699	0.1
105.07018	0.5
107.01289	0.2
107.04917	0.2
107.08506	0.2
109.02857	2.7
109.06470	0.2
111.00781	4.2
111.04424	0.7
115.05444	0.4
117.06953	0.2
119.01273	0.1
119.04908	0.5
119.69800	0.1
121.02830	0.5
121.03702	0.2
121.06484	0.6
122.03615	0.3
123.04416	0.5
124.07573	0.2
125.02323	0.8
125.05966	0.2
126.03105	0.5
126.09088	0.2
127.03873	0.7
131.04878	0.2
133.02812	0.4
133.06444	0.3
137.02309	4.3
137.04929	0.3
137.05942	4.2
139.03848	1.2
141.05435	0.6
143.03369	0.4
147.04369	3.7
149.02301	0.6
149.05960	0.2
151.03899	0.3
152.07054	0.4
153.01794	25.1
153.05415	10.8
154.02122	0.2
161.02307	0.4
161.05972	0.8
163.03914	0.3
165.01802	7.0
166.02573	0.9
166.04883	1.1
167.03329	0.2
167.76328	0.1
169.54837	0.1
171.03035	0.3
171.04344	0.9
173.05965	0.2
175.03908	0.3
177.05440	0.9
179.03346	3.0
179.06996	0.4
182.04465	0.2
183.02875	2.5
183.04410	0.3
189.01791	0.1
189.05428	2.4
191.03394	0.2
193.01270	0.6
193.04945	0.3
194.02107	0.3
195.02847	1.6
199.03867	1.0
203.03342	1.5
205.05058	0.2
207.02870	1.0
208.03654	0.3
216.04172	0.1
217.04921	8.2
218.05223	0.3
219.02824	0.6
221.04491	0.7
227.03294	1.0
228.04195	0.2
229.04938	0.5
231.02873	0.6
232.03621	0.3
233.04427	0.4
235.02316	0.4
235.05957	0.6
239.01805	0.4
244.03674	0.9
245.04402	9.7
255.02826	1.4
255.11519	0.2
257.04233	0.2
261.03885	0.2
263.05347	1.2
271.10754	0.3
272.03040	0.4
273.03873	9.2
274.04501	0.4
283.02228	0.4
283.10733	0.6
289.11975	0.3
290.04138	2.3
291.04941	0.4
301.03363	1.9
301.11710	1.2
304.05026	0.2
319.04410	100.0
320.04691	3.0
320.08203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0443
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
55.01848	0.8
55.05497	0.3
55.31779	0.2
57.03431	0.2
58.40572	0.2
63.01974	0.2
65.03934	0.6
67.01831	0.3
67.05487	0.7
68.99774	2.5
69.03426	0.4
69.07039	0.3
69.38953	0.2
70.06616	0.3
71.01350	0.3
71.04960	0.4
71.69587	0.3
71.69939	0.3
79.01854	0.3
79.05473	0.7
81.03413	0.6
81.07041	0.8
82.21865	0.2
83.04974	0.4
85.02894	0.4
91.05463	0.7
93.03378	0.8
93.07008	0.7
95.01340	0.3
95.04937	1.2
95.08578	0.5
97.02870	0.6
105.03399	0.4
105.06997	0.7
107.04920	0.4
107.08543	0.5
109.02845	1.0
109.06444	0.3
109.10156	0.5
111.00778	1.0
111.04399	0.6
111.08060	0.3
115.05442	0.7
119.04901	0.3
119.08586	0.6
121.02848	1.3
121.06479	0.3
121.10138	0.5
123.00770	0.8
123.04377	1.1
124.07605	0.5
125.02340	1.1
125.06039	0.3
126.09126	0.8
127.00223	0.3
127.03876	0.6
130.25098	0.2
131.04942	0.3
131.08595	0.2
133.02821	0.5
133.10117	0.4
135.04385	0.4
135.08011	0.4
137.02321	9.0
137.03310	0.3
137.05977	0.7
137.09573	0.3
138.05482	0.5
138.09122	0.9
139.00206	0.3
139.03894	0.4
141.01845	0.5
142.02550	0.2
143.04883	0.5
145.10123	0.2
147.04379	1.4
147.11673	0.3
149.02299	0.6
149.09552	0.3
150.28935	0.2
151.00240	0.5
151.03938	0.4
153.01808	7.1
153.03040	0.4
153.05385	0.3
159.11682	0.4
161.02373	0.3
161.05960	0.9
162.06354	0.2
163.03880	0.7
165.01782	1.7
165.05411	0.2
165.09132	0.4
166.04994	1.5
169.01297	9.3
171.02863	0.6
171.04381	2.0
175.03865	0.8
177.05396	0.3
179.03395	0.6
181.01285	2.5
182.04385	0.3
183.02866	0.3
185.00784	0.9
189.05461	1.2
194.04485	0.3
195.02855	1.0
199.03880	3.4
203.03346	0.8
211.02202	0.3
212.09380	0.3
216.04036	0.2
217.04919	3.2
219.02805	0.3
221.04535	0.2
227.03314	1.8
227.11775	0.4
228.10063	0.3
229.04898	0.4
231.02762	0.4
235.05939	0.5
243.07664	1.0
244.03615	0.4
245.04414	6.9
249.03827	0.3
255.02951	1.4
255.11206	0.4
257.04538	0.3
263.05429	0.9
270.09924	0.8
271.10751	0.6
272.11398	1.1
273.03897	11.3
273.12241	1.4
274.04288	0.4
283.10721	0.6
284.02847	0.3
290.04211	1.2
291.04941	0.4
301.03394	4.7
301.11700	4.1
302.03915	0.5
319.04434	100.0
319.22708	0.6
320.04770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.6
56.96299	9.6
56.96555	100.0
57.03408	17.0
57.39993	5.8
61.02654	7.7
61.02919	85.4
62.68803	5.1
67.20998	5.8
69.03407	25.4
70.03925	30.3
70.98096	7.2
73.02889	19.1
81.03396	7.8
84.96008	8.2
85.02885	50.7
86.03265	5.8
88.01151	5.6
89.00763	7.7
89.03935	9.1
93.34220	5.3
97.02296	6.3
97.02873	17.1
98.01299	5.7
98.97568	70.8
100.99131	8.2
101.00841	10.3
104.01267	7.7
106.02824	21.2
110.01247	7.6
110.97550	15.8
112.99106	29.5
115.02514	6.4
115.03355	21.6
116.98618	39.9
117.01912	6.3
118.00948	13.5
119.01857	40.5
120.00754	9.0
121.06500	6.9
127.03889	22.6
128.02295	28.1
128.98563	31.2
131.00162	39.2
131.01859	25.0
132.00652	8.1
133.03467	32.4
134.99599	15.7
137.02846	9.1
139.03937	6.4
141.01241	21.0
142.96442	7.3
143.00151	9.0
143.01874	6.9
145.03526	9.8
146.02246	10.7
146.99622	33.3
147.01320	8.2
147.03055	8.1
149.01192	33.9
149.02867	11.0
150.01781	27.4
155.02817	11.8
156.03603	9.9
156.05370	10.1
157.02547	18.6
158.99686	10.3
160.97527	6.1
161.01167	14.5
161.02907	22.1
163.03940	23.3
165.00723	14.5
168.01804	7.3
169.04469	6.4
170.03343	7.6
172.97491	7.5
174.99113	19.2
175.00665	9.8
175.02734	13.8
177.00681	18.1
178.04913	9.4
178.55087	13.1
183.02206	9.2
184.03105	15.5
188.97108	8.6
189.00688	13.8
189.02383	9.4
190.03056	13.1
190.98639	17.3
191.02196	14.1
191.03860	24.8
192.02779	10.0
193.00226	16.0
193.03758	17.8
199.00836	9.5
200.04364	21.0
201.00700	15.6
204.02863	6.9
205.00131	14.9
205.01855	11.1
207.01762	8.2
207.05209	14.2
208.99638	16.4
212.02458	11.0
213.03349	18.3
217.01917	12.5
217.03764	8.2
219.01788	22.6
220.04170	22.1
221.03099	7.8
222.03815	12.2
223.01253	11.3
226.02299	31.1
228.55939	9.0
229.04523	12.9
235.02820	22.1
237.02797	14.0
237.58315	16.6
242.03691	12.4
245.01364	15.5
259.02985	11.0
259.06589	12.2
287.02533	10.8
313.09558	10.2
318.60852	19.6
319.07684	30.1
337.07837	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61135	4.1
53.03921	5.8
54.89796	3.9
55.01847	9.6
55.05486	6.7
56.26183	4.3
56.96556	100.0
57.03408	16.4
58.53941	4.5
61.02918	73.5
69.03416	28.3
70.06557	5.3
70.98103	7.0
71.04975	7.6
71.68592	4.7
72.08141	4.8
73.02888	19.1
73.54202	4.0
74.78184	4.6
76.36199	4.2
81.03398	10.2
84.96039	11.0
85.02888	60.0
86.03197	5.4
87.04488	5.4
88.99147	5.3
89.00755	8.0
97.02316	6.8
97.02872	25.3
98.97572	79.3
99.04440	9.1
101.00870	11.9
104.10767	4.4
106.00975	4.8
106.02811	8.0
109.02831	7.8
110.01282	10.3
110.97543	19.8
111.00207	4.4
111.01986	7.9
112.99091	33.7
113.02316	5.3
115.02500	4.5
115.03329	16.3
116.98592	51.0
117.01864	4.9
118.00995	8.2
119.01839	56.9
120.00764	6.5
121.01617	5.0
123.04472	4.9
123.60892	4.3
127.03886	24.9
128.02280	19.3
128.98582	24.9
131.00166	58.4
131.01813	24.2
132.00673	15.2
133.03476	34.0
134.99654	13.9
135.01289	5.9
135.03113	7.4
135.04384	5.9
137.02849	13.2
140.02281	9.2
141.01215	6.1
142.96545	6.5
143.00122	9.7
143.01884	10.7
144.98026	6.8
144.99808	4.5
145.01593	9.0
145.03447	10.5
145.04927	4.9
146.02251	8.4
146.99631	30.7
147.01373	6.0
147.03131	9.0
148.01978	13.5
148.03806	6.4
149.01201	40.6
149.02962	7.3
150.01762	21.5
151.04427	7.0
155.01791	7.8
156.03578	12.1
156.05278	6.2
157.02560	9.1
158.99649	13.9
160.97610	6.1
161.01160	9.8
161.02936	15.8
162.01698	7.8
162.99089	5.7
163.02670	7.4
163.03822	24.7
164.84103	6.2
165.00696	19.8
167.02248	9.5
169.02548	5.3
170.03345	7.7
170.99658	10.9
171.04118	7.8
172.97621	4.7
173.01222	7.6
173.02930	9.4
174.99139	11.0
175.02711	18.5
175.04457	7.9
177.00728	18.7
177.02225	5.7
178.04869	16.8
178.55138	6.7
179.05122	7.4
183.02051	10.8
184.01332	5.0
184.03004	7.2
185.02914	7.5
188.97055	9.1
189.00639	22.5
189.02220	7.0
190.01187	5.5
190.02916	5.6
190.98605	18.3
191.02171	11.0
191.03865	26.7
191.53978	6.8
192.02786	10.7
193.00182	23.3
193.03766	17.9
196.01328	8.6
198.02835	5.7
198.04588	6.9
199.00769	8.5
200.04356	15.4
201.00673	12.0
203.04005	5.6
204.02768	9.1
205.00157	6.4
205.01857	14.0
206.97990	5.7
207.01709	11.2
207.05138	11.2
208.99567	13.1
211.01048	7.1
211.04799	9.8
212.02548	5.0
213.03346	36.3
213.53523	9.9
215.65681	4.9
217.01888	14.6
217.03748	7.5
217.05647	5.7
218.98341	10.1
219.01805	19.3
220.04112	22.0
220.06540	5.0
222.03828	11.3
223.01170	11.0
223.04906	5.7
226.02289	12.9
227.00418	10.5
229.02048	5.9
229.04572	10.7
231.03516	5.5
235.02884	21.2
237.02789	19.5
237.58208	17.7
238.08238	5.7
242.03584	15.3
245.01389	16.3
259.02844	8.9
259.06839	9.9
260.99097	4.9
263.00690	5.6
287.02417	10.1
294.08755	5.2
295.08521	5.8
313.09488	10.1
318.60797	13.4
319.03937	6.6
319.07925	19.3
327.11383	5.6
337.08044	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	319.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93426	1.3
55.01872	1.6
58.56919	1.4
64.92143	1.2
65.03921	5.0
66.69911	1.1
67.01851	2.9
67.05500	2.8
68.99774	8.0
69.03414	5.2
70.06590	2.2
70.83233	4.0
71.04975	1.3
72.08120	1.4
79.05473	3.3
80.61391	1.3
81.03393	2.3
81.07040	2.8
83.04952	2.1
84.08160	1.5
91.05479	3.9
93.03384	2.7
93.07037	2.8
93.51771	1.4
94.04149	2.2
95.04955	5.0
97.02885	2.0
105.03392	2.6
105.07016	2.6
107.04970	1.3
107.08597	2.1
109.02852	2.2
109.06545	2.8
109.10127	1.4
111.00820	3.3
111.04430	8.3
115.05432	1.7
116.07101	1.3
116.70025	1.3
119.04932	1.9
119.08548	1.4
120.08077	2.0
121.02841	8.3
122.03660	4.7
123.04406	11.1
124.07533	1.2
125.02370	1.9
125.05965	2.6
126.09159	2.6
127.03875	7.3
133.02834	9.4
133.06488	1.4
133.10149	1.4
135.04396	2.4
136.07596	1.5
137.02318	4.2
137.05957	73.4
138.05467	2.7
138.09096	2.0
139.03888	12.5
145.06497	1.5
145.10114	1.3
147.04417	4.6
148.14278	1.3
149.02321	39.4
149.05981	3.9
151.03902	5.5
153.01804	100.0
153.05325	2.7
153.06912	1.3
155.03494	1.9
156.08395	1.7
157.06421	1.8
161.02333	18.5
161.05980	3.0
163.03831	8.2
165.01839	4.1
165.05447	10.1
166.04971	4.4
167.03406	16.2
167.06006	2.6
169.01324	2.1
171.02879	9.3
171.04265	2.0
176.11761	1.4
176.99574	1.5
177.05418	3.4
179.03346	2.7
183.02899	2.0
184.05197	2.5
185.05998	3.6
187.03969	2.0
189.05443	3.5
193.04965	4.7
195.02863	28.4
199.03955	2.2
199.12253	1.3
207.02832	1.8
209.06114	1.7
212.04680	2.9
212.09377	2.9
213.05426	11.2
217.04961	8.7
225.10223	1.9
226.11003	3.2
227.07048	2.1
227.11755	3.0
229.04866	2.1
241.04883	12.1
245.04446	5.6
245.08038	29.0
255.02753	1.8
255.06551	2.6
255.11249	6.0
258.05185	2.0
259.05899	1.7
259.11160	1.4
269.04312	3.0
270.09995	2.9
271.10684	3.0
272.06696	1.5
272.11395	7.2
273.03961	8.6
273.07574	39.5
273.12045	11.2
273.14639	1.4
277.12839	1.8
283.06094	2.1
283.10785	5.6
290.04169	2.2
301.06970	15.8
301.11798	24.7
319.04474	68.7
319.07974	7.7
319.12485	10.8
320.04755	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	319.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.2
55.05485	2.2
65.03925	2.5
67.01849	1.4
67.05495	3.8
68.99783	4.9
69.03397	2.5
69.07046	2.3
71.04958	1.6
71.70168	1.7
77.03884	1.0
77.13681	0.7
79.05460	3.3
81.03414	1.8
81.07047	5.1
83.04955	2.0
85.02901	1.2
91.05489	3.9
93.07016	4.2
94.04169	1.5
95.04955	4.1
95.08588	4.0
97.02847	1.7
105.03362	2.5
105.06982	4.4
107.04897	2.1
107.08582	4.1
108.02155	0.7
108.18453	0.7
109.02817	1.1
109.06495	3.2
109.10123	3.6
110.03622	1.2
111.00763	1.2
111.04419	4.5
115.05418	1.0
117.07001	0.8
119.04913	0.8
119.08551	3.5
121.02841	7.9
121.06450	1.8
121.10120	3.3
122.03645	4.2
123.00777	1.3
123.04386	4.4
123.08039	1.2
123.11594	1.2
125.02348	1.0
125.05967	2.5
126.09106	1.5
127.03902	3.1
128.06104	0.8
129.06976	1.2
131.08563	1.8
133.02840	8.5
133.06477	0.9
133.10109	1.7
135.08005	1.7
135.11676	1.8
136.07516	0.9
137.02350	7.4
137.05949	51.2
137.09593	3.3
138.05446	1.2
138.09102	1.2
139.03891	4.4
143.08534	1.2
145.06425	0.9
145.10071	1.8
147.04361	2.2
147.08046	0.8
147.11684	1.7
149.02313	27.1
149.05984	1.6
149.09512	1.1
150.03024	1.1
152.07051	0.9
153.01797	62.3
154.02158	1.7
157.06381	1.1
157.10049	1.8
159.11673	1.5
161.02310	12.6
161.05908	1.8
161.09624	2.2
161.13260	0.9
163.03879	0.9
165.01788	2.0
165.05458	2.7
165.09114	1.4
166.04968	5.6
167.03360	9.0
169.01280	9.5
171.02931	1.7
171.04382	2.5
171.11662	1.3
173.13197	1.1
175.03934	1.2
175.14795	1.1
177.05557	1.1
181.01295	2.1
182.04475	2.4
184.05174	2.0
185.05997	1.8
187.14810	0.9
189.05475	1.1
193.04929	3.4
195.02858	22.4
199.03824	4.3
201.05455	0.9
203.14325	1.2
212.04634	1.8
213.05438	6.9
217.04936	5.6
219.02840	0.8
226.10866	0.9
227.03442	1.3
227.06937	1.4
227.11748	1.1
229.04979	2.4
230.05463	0.9
231.25461	0.7
241.04929	9.8
245.04388	6.0
245.08038	18.6
245.10538	0.9
246.08469	0.8
255.02776	1.0
255.11255	1.5
259.10757	2.5
269.04395	1.5
272.06735	2.1
272.11557	1.5
273.03918	13.6
273.07541	24.1
273.12292	3.1
274.07776	1.7
283.10806	3.8
286.04590	1.6
290.04108	1.1
301.03387	3.3
301.07037	7.5
301.11752	10.1
301.21582	2.6
319.04431	100.0
319.07669	4.8
319.12225	6.5
319.22623	3.2
320.04599	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	319.0805
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
52.93426	1.3
55.01872	1.6
58.56919	1.4
64.92143	1.2
65.03921	5.0
66.69911	1.1
67.01851	2.9
67.05500	2.8
68.99774	8.0
69.03414	5.2
70.06590	2.2
70.83233	4.0
71.04975	1.3
72.08120	1.4
79.05473	3.3
80.61391	1.3
81.03393	2.3
81.07040	2.8
83.04952	2.1
84.08160	1.5
91.05479	3.9
93.03384	2.7
93.07037	2.8
93.51771	1.4
94.04149	2.2
95.04955	5.0
97.02885	2.0
105.03392	2.6
105.07016	2.6
107.04970	1.3
107.08597	2.1
109.02852	2.2
109.06545	2.8
109.10127	1.4
111.00820	3.3
111.04430	8.3
115.05432	1.7
116.07101	1.3
116.70025	1.3
119.04932	1.9
119.08548	1.4
120.08077	2.0
121.02841	8.3
122.03660	4.7
123.04406	11.1
124.07533	1.2
125.02370	1.9
125.05965	2.6
126.09159	2.6
127.03875	7.3
133.02834	9.4
133.06488	1.4
133.10149	1.4
135.04396	2.4
136.07596	1.5
137.02318	4.2
137.05957	73.4
138.05467	2.7
138.09096	2.0
139.03888	12.5
145.06497	1.5
145.10114	1.3
147.04417	4.6
148.14278	1.3
149.02321	39.4
149.05981	3.9
151.03902	5.5
153.01804	100.0
153.05325	2.7
153.06912	1.3
155.03494	1.9
156.08395	1.7
157.06421	1.8
161.02333	18.5
161.05980	3.0
163.03831	8.2
165.01839	4.1
165.05447	10.1
166.04971	4.4
167.03406	16.2
167.06006	2.6
169.01324	2.1
171.02879	9.3
171.04265	2.0
176.11761	1.4
176.99574	1.5
177.05418	3.4
179.03346	2.7
183.02899	2.0
184.05197	2.5
185.05998	3.6
187.03969	2.0
189.05443	3.5
193.04965	4.7
195.02863	28.4
199.03955	2.2
199.12253	1.3
207.02832	1.8
209.06114	1.7
212.04680	2.9
212.09377	2.9
213.05426	11.2
217.04961	8.7
225.10223	1.9
226.11003	3.2
227.07048	2.1
227.11755	3.0
229.04866	2.1
241.04883	12.1
245.04446	5.6
245.08038	29.0
255.02753	1.8
255.06551	2.6
255.11249	6.0
258.05185	2.0
259.05899	1.7
259.11160	1.4
269.04312	3.0
270.09995	2.9
271.10684	3.0
272.06696	1.5
272.11395	7.2
273.03961	8.6
273.07574	39.5
273.12045	11.2
273.14639	1.4
277.12839	1.8
283.06094	2.1
283.10785	5.6
290.04169	2.2
301.06970	15.8
301.11798	24.7
319.04474	68.7
319.07974	7.7
319.12485	10.8
320.04755	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	319.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53388	0.7
55.05485	1.3
57.03424	1.4
63.82914	0.6
65.03916	3.1
67.05495	1.8
69.07037	1.4
71.69057	1.5
79.05463	2.4
81.07024	3.2
82.06551	1.2
83.04932	1.0
86.09689	1.4
91.05442	1.7
92.04973	1.9
93.07037	1.9
94.06537	0.8
95.04953	1.5
95.08581	2.2
96.08094	2.7
105.06995	0.9
106.06516	0.8
107.08533	2.4
109.06486	2.2
109.10139	1.3
111.04392	0.8
119.08582	1.1
120.04475	1.0
121.10079	1.7
122.05984	2.2
123.11673	1.0
124.07587	5.4
126.09137	14.6
130.06505	0.8
131.08574	1.2
133.10081	1.4
135.08034	1.1
136.07478	0.8
137.02307	1.2
137.05923	2.2
137.09534	1.2
138.05470	4.9
138.09103	10.4
144.08070	1.0
145.10063	0.9
147.04417	0.8
148.03929	1.2
149.09564	0.9
153.01778	4.0
157.07568	2.6
157.10020	1.3
159.11627	0.9
160.30598	0.8
163.11214	0.9
166.04962	24.2
166.08615	1.4
168.06729	1.0
169.01239	0.9
169.07593	1.5
170.08276	0.9
171.09149	2.6
172.07562	0.8
172.11166	1.0
173.07285	0.7
174.09114	1.0
176.03391	1.0
178.05074	0.7
183.09183	2.1
184.09921	2.4
189.07304	0.9
194.04457	6.9
194.08257	1.0
197.07098	1.3
198.07773	1.8
199.08606	3.8
199.12294	3.5
200.10692	1.7
206.09973	0.9
209.10844	1.0
210.11453	1.3
211.08646	4.8
212.09418	5.8
213.10220	2.4
214.08571	1.0
217.04816	1.0
225.10204	6.0
226.10957	13.3
227.11758	11.6
227.13873	1.4
228.10144	4.8
229.13156	1.1
240.08871	1.0
241.09550	0.9
243.07596	7.9
245.04355	1.5
245.08147	0.8
245.12805	1.9
255.11215	14.0
255.13797	1.0
257.09186	3.9
259.10730	2.0
266.32703	0.8
270.09933	15.7
271.10724	11.3
272.11499	36.7
273.04025	1.5
273.07721	1.5
273.12280	39.5
274.12665	1.7
283.10751	14.6
301.11777	100.0
302.12177	5.6
304.04501	1.7
319.04208	15.1
319.07260	3.0
319.12799	23.0
319.22580	1.5
320.04694	1.1
320.13278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2262
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
55.01846	5.0
55.05502	27.2
57.07064	6.0
59.04982	3.2
65.03936	4.2
65.34763	2.7
67.05496	43.2
69.03419	17.8
69.07059	32.4
69.80759	17.3
71.04961	18.3
71.70811	2.9
79.05472	30.3
81.03400	5.4
81.07040	95.0
83.04952	15.3
83.08595	6.8
83.58884	2.9
85.06548	4.9
91.05475	30.3
93.07033	53.7
95.04964	16.4
95.08591	68.6
96.42335	3.1
97.06514	16.8
97.10163	7.1
98.20755	4.5
102.71970	2.7
105.07016	66.1
107.04931	3.9
107.08572	69.9
109.06500	21.4
109.10148	73.7
111.04446	5.6
111.08059	7.5
117.06966	8.2
119.08558	58.8
121.06503	7.4
121.10115	41.0
121.54602	2.9
123.08041	11.4
123.11682	32.9
125.09608	17.0
127.11195	9.5
128.06133	3.4
129.06947	11.9
131.04897	2.9
131.08551	29.0
133.10107	47.0
135.08032	14.8
135.11647	27.5
137.05952	7.0
137.09569	40.3
137.13226	9.2
139.11163	13.6
142.07724	4.8
143.08566	15.6
145.10101	47.3
147.08041	6.6
147.11679	42.7
149.09598	13.7
149.13235	12.8
151.11179	19.0
153.05478	4.8
153.12695	3.3
155.08589	4.6
157.10141	23.1
159.08020	6.1
159.11656	32.0
161.09599	61.7
161.13174	20.3
163.07581	8.4
163.11177	8.6
163.14844	4.1
165.09088	17.5
165.12692	8.1
171.11676	18.6
173.09619	4.2
173.13231	35.5
175.11124	15.4
175.14827	11.5
177.09081	7.6
177.12735	8.9
177.16426	3.4
179.10678	6.7
181.10043	4.3
183.11719	5.3
185.13268	17.2
187.14825	17.4
189.16277	4.4
191.10695	3.7
191.14301	4.7
193.12215	14.3
195.11876	4.2
197.13155	8.0
199.14789	23.0
201.16354	7.6
203.14307	14.4
211.14764	7.2
213.12820	4.4
213.16347	14.7
215.14267	11.8
217.15855	4.7
221.15150	4.2
227.17905	6.7
229.19489	17.5
231.17407	13.4
233.15384	3.2
243.21078	3.9
245.15300	4.2
255.20967	32.6
256.04675	3.4
273.22079	76.2
283.20441	18.2
301.11859	5.9
301.21561	82.9
319.06995	10.9
319.22592	100.0
320.22940	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2262
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
55.01869	2.6
55.05500	12.4
57.07065	4.8
59.04988	3.1
59.88672	1.8
65.03929	4.6
67.05497	27.3
68.17861	2.2
69.03413	14.6
69.07057	20.4
70.18134	2.2
70.18398	10.5
71.04989	16.8
73.06529	2.0
79.05466	18.5
81.07039	78.4
83.04960	7.8
83.08603	9.3
85.02879	2.0
85.06530	8.4
91.05455	24.6
92.05067	2.0
93.07030	39.1
95.04951	16.3
95.08591	45.8
97.06534	10.1
97.10161	7.0
98.20766	3.3
100.11219	5.0
105.07009	29.4
106.07383	2.9
107.04984	4.9
107.08574	49.0
108.24849	1.9
109.06496	32.1
109.10134	51.9
109.10873	3.1
110.06013	2.3
111.04385	2.7
111.08060	5.3
112.28355	2.6
113.06022	2.4
117.06956	6.2
119.08561	36.7
121.06496	11.2
121.10112	31.9
123.08052	12.1
123.11675	24.3
124.71635	2.2
125.05942	3.0
125.09619	8.7
127.11165	6.6
128.06160	3.6
131.04802	2.2
131.08536	18.4
133.10103	32.9
135.08057	16.9
135.11659	14.6
137.05975	6.1
137.09587	26.8
137.13226	10.0
139.11157	6.7
142.07797	3.7
143.08524	9.2
145.10085	26.6
146.07188	2.5
147.08058	6.5
147.11646	12.8
149.09572	10.7
149.13251	7.6
151.11145	10.8
153.12726	6.1
155.08476	2.4
157.10085	12.3
158.10963	2.4
159.08046	8.1
159.11641	14.0
161.09589	100.0
161.13272	5.8
163.07550	11.4
163.11154	8.5
163.14807	3.6
165.09082	19.7
165.12801	4.1
166.04965	3.3
169.10123	3.9
171.11668	6.1
173.09631	10.4
173.13234	13.6
175.11153	19.0
175.14810	6.3
177.09154	3.7
177.12730	3.3
179.10651	6.1
181.08594	2.9
181.12141	2.8
182.10854	3.3
184.53760	2.2
185.13284	4.7
187.11243	3.0
187.14789	7.9
189.16437	3.2
191.10652	4.0
191.14265	13.2
193.12213	3.3
194.04472	8.0
197.13248	7.6
199.14865	7.7
201.12828	3.2
201.16393	4.0
203.14253	6.6
209.13350	2.7
211.14803	3.7
213.12773	3.7
213.16406	7.5
215.14276	10.5
215.17902	2.5
219.17407	2.2
227.14368	3.1
231.17358	12.2
233.15453	2.3
245.15395	2.5
255.21028	5.8
265.19519	3.5
265.32767	2.2
273.22104	7.1
283.12949	2.4
283.20535	14.0
301.11847	31.4
301.21564	90.7
302.21878	4.4
319.12927	8.4
319.22580	55.8
320.22723	2.7
344.03244	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	17.4
61.59606	0.6
69.97946	3.2
71.95225	2.6
73.27827	0.6
88.93464	0.6
97.02870	1.0
98.97559	48.7
99.97846	0.8
106.64928	0.6
116.98594	46.0
119.01846	1.5
130.93271	0.8
132.96498	0.7
134.99629	35.3
137.02960	0.8
138.98921	0.7
140.00131	1.6
142.03418	1.3
153.00662	5.9
158.01190	1.4
160.06444	0.6
174.97621	10.3
177.00882	2.1
192.98669	10.5
194.91177	1.8
198.97533	3.9
210.99724	0.7
212.92224	13.4
216.98648	45.1
217.98868	1.2
218.91284	1.7
219.02007	1.3
228.90126	1.0
230.93295	25.9
231.93349	0.7
234.99706	100.0
235.99854	4.0
236.92180	2.3
236.99933	0.8
238.92186	0.8
240.00252	2.0
245.92018	1.7
246.91043	0.7
247.92642	1.1
248.94359	8.9
251.93799	1.3
253.00861	3.3
253.94756	0.8
254.90732	1.3
254.93263	15.8
256.96835	0.6
258.01294	4.9
258.99738	0.8
261.02991	2.2
263.02863	0.9
263.93060	1.8
270.91110	1.2
272.94321	80.1
273.94525	3.2
274.94479	1.3
274.97562	1.0
277.00766	1.8
277.95029	1.1
288.92136	1.9
290.95361	48.7
291.92197	1.0
291.95493	2.3
292.95203	0.7
295.95831	5.0
296.94202	3.9
312.91257	1.3
313.96811	1.6
314.95355	25.7
315.95590	1.3
325.93979	1.4
326.94040	0.6
332.90771	0.7
332.96512	2.2
337.97092	0.9
339.87122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27612	9.2
54.64194	8.6
56.96552	32.6
71.67233	16.7
84.69544	9.1
84.95958	10.1
90.87942	10.6
95.72212	10.0
98.97583	47.7
116.98608	33.6
140.98550	8.6
143.00177	15.2
172.37375	9.6
219.01741	20.4
225.15027	9.9
234.99701	16.3
237.02806	47.8
255.03865	32.5
279.03882	34.7
297.04880	100.0
315.05978	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	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	3.5
56.96552	17.3
60.04497	3.0
61.02900	3.5
67.05479	2.9
68.05031	2.5
69.03420	11.9
69.07048	4.7
70.06581	39.5
71.09019	2.9
71.09350	4.5
72.08125	5.3
73.02910	2.6
81.03402	7.5
83.04953	3.3
84.04491	5.9
84.08131	3.8
85.02893	14.4
86.09691	7.6
90.50711	2.9
91.05445	3.4
93.03403	2.8
94.06550	17.8
96.04456	7.5
96.08126	3.7
97.02868	10.9
97.06492	3.5
98.06026	10.5
98.97579	12.8
102.05527	5.0
107.04903	3.5
108.08076	2.8
110.06071	3.2
110.97546	3.8
111.04388	3.6
112.07587	23.7
114.05509	18.4
116.07061	4.8
116.98591	9.9
122.05978	7.9
123.04420	37.6
124.03873	2.8
124.04739	3.1
127.03874	10.8
128.98586	6.1
131.00136	3.4
134.99619	7.4
135.04420	5.4
138.05472	4.8
138.09084	10.2
139.03905	14.4
140.07040	57.1
142.08524	4.3
146.99579	2.8
147.04370	3.0
149.01157	2.9
151.03844	5.4
158.08109	100.0
159.08562	3.4
161.01192	6.0
162.99120	2.9
163.03880	16.0
164.07018	3.6
171.02907	2.8
173.12877	4.6
175.08636	4.7
177.00763	6.2
189.00667	3.2
197.01076	3.6
202.08559	3.0
203.03354	4.2
205.04817	3.4
212.10617	3.5
217.16957	2.7
219.01669	5.0
221.09164	2.7
230.07993	3.2
234.98917	4.0
237.02719	9.2
240.12238	3.9
243.03877	2.7
258.11151	7.2
258.13358	8.8
266.09906	3.9
276.12256	10.1
284.11099	7.5
295.63312	2.4
302.12115	11.4
303.13409	4.8
314.42474	2.7
320.06726	5.0
321.05707	3.4
321.11511	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	321.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04485	0.8
54.67033	0.8
56.96555	29.1
58.99839	1.2
63.96844	0.7
69.03405	0.8
69.40417	7.0
69.40816	1.2
71.95235	1.8
74.97602	0.8
77.00899	0.9
82.99831	1.5
83.34073	0.7
83.38024	0.7
84.96023	5.7
91.02425	1.2
94.99883	0.9
98.97565	29.3
101.00859	9.5
101.83724	0.9
103.02444	1.9
110.01344	0.8
110.97546	3.2
112.99113	57.1
113.00791	4.4
115.02408	6.4
116.83395	0.9
116.98600	17.1
119.00096	1.1
119.01898	33.3
120.01939	1.0
124.99155	0.8
127.00710	1.4
127.02373	1.2
128.98587	5.3
129.03944	2.7
131.00153	100.0
131.01735	16.0
132.02045	0.7
133.03447	26.1
134.99632	6.7
137.02954	7.0
140.00166	1.1
140.98549	1.9
142.01767	1.3
143.00143	5.5
143.01891	5.4
144.98087	1.0
145.01624	1.7
145.03474	6.5
146.99646	4.3
147.05002	4.2
149.01199	65.3
149.03041	2.7
151.04483	4.2
153.00504	0.9
153.04010	1.0
154.01714	3.3
155.01884	7.9
157.03467	3.9
158.01215	1.9
158.99644	10.3
159.05026	7.4
160.02791	2.1
161.01183	8.9
161.02905	9.7
162.99118	1.0
163.02673	2.0
163.03839	1.5
165.28833	0.8
167.02271	7.2
168.99812	4.2
170.95880	1.2
170.99687	4.0
171.01051	1.0
171.05028	4.7
172.02757	3.2
173.01208	2.9
173.02919	22.5
174.03032	1.0
174.99104	1.9
175.02753	8.7
175.04488	5.0
176.99155	0.6
177.00705	14.1
177.02283	2.0
177.04427	0.8
177.06058	3.3
179.02025	1.7
182.99577	1.5
183.04977	3.4
185.02921	5.2
185.06573	1.2
187.00836	7.6
187.04431	1.3
188.97015	3.4
189.00667	5.0
189.02454	4.4
189.06009	1.8
191.02190	3.9
191.03964	5.4
193.00218	1.5
193.03816	30.1
194.01186	1.1
195.01741	1.9
195.07108	2.0
196.99303	1.6
197.02959	3.0
199.00821	0.9
199.04379	1.0
201.00644	11.0
201.02415	17.2
201.06018	1.4
202.02444	1.9
203.02164	1.6
203.03882	3.7
204.01822	0.9
205.01892	3.4
206.98100	2.9
207.01823	3.7
207.03439	1.2
209.03160	0.9
210.02512	0.9
211.04849	25.3
211.06512	0.9
213.00629	1.2
213.02386	5.7
215.00317	9.4
216.05402	1.7
217.05653	0.9
219.01660	9.8
219.03477	36.5
219.07010	12.7
220.03735	1.3
220.07219	1.0
221.05132	9.2
222.02896	1.0
225.02844	1.1
225.06079	1.2
229.01909	4.0
231.01521	1.6
231.03627	7.0
231.07094	13.5
233.05154	5.3
233.08598	2.6
237.02736	5.5
240.02043	1.0
242.05104	2.2
243.01651	1.9
245.05054	10.5
246.05232	1.1
247.02977	15.5
249.02377	1.9
249.04811	4.9
255.07111	3.9
261.02719	30.2
261.08151	2.7
262.02917	0.9
265.03815	1.7
265.06204	1.3
267.11288	1.4
270.04718	1.2
273.08194	4.3
277.05917	1.4
279.03674	7.5
279.09125	1.9
285.12070	1.0
289.02118	30.6
290.02765	1.1
302.05316	1.2
307.03284	14.5
321.10733	76.8
322.07401	1.0
322.10583	2.8
330.04944	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	19.7
61.02912	2.1
71.95245	1.2
72.96021	0.8
73.02887	0.5
74.97591	0.7
82.98087	0.5
84.96017	2.8
85.02885	1.0
88.99126	0.4
98.97568	7.0
99.25517	0.4
100.99126	0.5
101.00863	1.1
103.00562	0.5
112.99113	47.9
115.02406	0.6
116.98598	5.3
119.00166	0.5
119.01898	5.6
121.01638	0.8
121.85763	0.4
124.95458	0.7
128.98636	0.9
131.00148	100.0
132.00542	0.8
133.01633	0.6
133.03459	3.7
134.99651	2.2
135.03163	0.4
137.02925	1.5
140.98607	0.6
142.96492	0.7
143.00195	0.8
143.01845	0.7
144.98056	0.7
144.99846	0.4
145.01680	1.8
145.03426	1.3
146.99611	2.1
147.03146	0.6
148.02827	0.6
149.01199	75.4
150.01556	0.8
151.04494	0.9
154.01698	3.4
155.01923	0.8
157.03464	1.1
158.99612	2.1
159.03317	0.6
159.33255	0.5
160.97507	0.7
161.01212	1.3
161.02930	1.3
162.99091	1.4
163.02757	1.8
165.00665	1.2
167.02266	8.1
168.99826	1.3
170.96001	0.7
170.99649	0.7
172.02795	3.3
173.01245	1.1
173.02943	2.1
174.99112	0.6
175.02766	8.1
175.04332	0.6
177.00809	2.1
177.02243	0.5
177.06010	0.7
179.02182	0.5
180.99997	0.5
185.01190	0.8
185.02843	0.5
187.00877	2.4
188.97050	3.2
189.00766	0.8
189.02426	1.0
191.00746	0.4
191.02264	2.3
191.03944	1.0
192.04163	0.6
193.00137	1.3
193.03812	30.4
201.00677	2.4
201.02370	0.7
203.02222	1.8
203.03915	0.7
205.01974	0.7
206.98123	2.3
207.01660	0.7
210.02361	0.5
211.04865	22.1
215.00331	1.4
216.05450	1.9
219.01663	2.1
219.03516	1.5
219.07095	1.4
221.03265	1.1
221.05135	0.6
229.05833	0.5
231.07146	0.8
233.05072	0.6
234.06570	1.0
235.04869	0.5
237.02737	0.6
245.05132	0.8
247.03157	1.9
249.04601	0.5
251.04688	0.5
261.02765	23.3
265.05954	1.3
277.05988	0.9
279.03836	4.8
289.02219	29.5
290.02612	1.1
302.05386	1.0
307.03302	15.3
321.04965	1.3
321.11414	8.5
330.05051	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	12.9
57.03417	1.7
58.99839	1.8
70.06570	2.7
70.25937	0.9
70.72730	3.3
71.04002	1.0
73.01430	1.2
77.00899	1.3
82.99858	3.5
84.08137	1.1
84.96009	1.9
85.02875	1.0
91.02431	2.9
93.96543	1.0
97.01395	1.4
98.97559	11.0
101.00865	25.4
103.02440	1.4
109.03474	1.5
110.97531	2.1
112.99119	18.1
113.00844	5.7
115.02416	15.0
116.98598	7.1
117.03990	1.6
119.01900	100.0
120.01983	5.0
121.01674	1.3
123.04373	1.1
127.02367	1.4
128.98610	3.2
129.03941	2.7
131.00160	30.2
131.01865	16.4
133.01785	1.5
133.02481	1.8
133.03447	35.0
133.04449	1.9
134.99617	3.3
135.05031	1.7
136.06148	1.2
137.02925	21.6
137.83871	1.0
138.02992	1.0
139.03868	2.8
142.03468	3.8
143.00063	1.2
143.01851	8.0
144.99803	6.2
145.03448	8.8
146.99615	2.2
147.01311	1.5
147.04984	3.9
149.01187	17.5
149.02939	5.9
151.04527	6.6
154.01816	1.0
155.01840	3.0
155.03281	1.0
157.03447	2.4
158.99614	1.4
159.01396	2.0
159.04976	3.2
161.01234	1.3
161.01505	1.7
161.02925	17.6
163.03920	3.5
167.02197	1.5
167.03951	1.1
168.99789	12.6
171.01332	4.2
171.04973	3.2
173.01411	1.8
173.02928	12.6
175.02696	3.1
175.04482	3.4
177.00836	2.4
177.02411	4.9
177.04248	2.6
177.06053	1.5
179.03958	1.0
185.02898	1.8
187.00858	36.8
188.01001	1.3
188.96991	1.2
189.00848	2.0
189.02406	16.9
189.06078	2.0
191.02330	1.5
191.04001	14.0
193.03864	7.4
195.05371	1.2
196.99342	7.9
199.00955	1.4
201.00732	1.4
201.02396	5.4
201.04102	1.4
201.06085	1.6
203.02231	1.4
203.04018	2.4
205.01889	13.0
207.03513	1.1
210.02390	1.4
211.04842	6.2
215.00334	41.1
216.00523	2.9
217.01982	3.5
217.05504	1.9
219.01631	3.9
219.03505	5.8
219.07085	3.5
221.05009	4.6
223.02950	1.3
229.01913	18.9
230.02214	1.2
231.03426	3.2
231.07092	2.3
233.01410	4.2
233.05031	16.7
234.05318	1.6
237.02789	3.8
245.04939	3.3
247.02968	68.6
248.03217	4.2
249.04541	3.2
251.06206	2.0
254.37589	1.1
261.02408	5.2
261.05219	1.3
261.08200	4.3
265.04041	12.8
270.04529	4.2
273.08102	1.3
279.05655	3.3
279.09225	5.8
289.02069	5.5
289.04132	6.6
307.03308	3.0
309.39310	1.0
321.06497	8.0
321.10654	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38841	1.1
56.96556	16.1
60.28513	1.1
65.75924	0.9
67.99728	0.9
71.68614	1.3
71.95259	1.1
73.18633	0.9
84.96005	2.2
94.06557	1.4
98.97553	10.0
101.00872	6.8
110.97582	1.3
112.99112	48.6
113.00830	2.3
115.02390	5.7
116.98578	4.5
116.99337	1.2
119.01899	20.3
127.02339	1.2
129.03926	1.2
131.00148	69.1
131.01706	9.7
132.00494	2.0
133.03445	25.4
137.02919	3.9
140.98538	1.1
142.03465	1.2
143.01866	5.1
145.01695	1.8
145.03424	5.3
146.99675	1.4
147.04970	2.4
149.01196	33.4
149.02875	1.5
151.04495	4.6
154.01770	1.3
155.01878	6.9
157.03474	4.9
158.99657	2.7
159.05028	8.2
161.01688	1.4
161.02921	8.6
162.99126	1.3
163.02748	1.5
167.02261	1.9
171.05072	5.3
173.01537	1.0
173.02927	8.0
175.02766	5.6
175.04478	3.8
177.00671	2.3
177.06030	3.3
179.01938	1.1
183.05040	4.9
185.02939	1.5
187.00935	6.0
188.97002	2.1
189.00769	1.1
189.02402	2.5
189.06068	2.2
191.03993	1.9
193.00140	1.3
193.03819	20.2
193.05569	1.3
195.07195	2.5
197.02943	3.0
201.00734	2.1
201.06085	2.3
203.03958	2.8
205.01822	1.7
211.04854	16.8
215.00389	5.3
216.05460	1.1
219.01709	2.1
219.03656	1.9
219.07083	13.7
221.03085	1.4
221.05014	11.5
229.01785	1.6
231.07106	15.6
233.05078	2.3
233.08679	3.4
245.05025	13.6
247.02994	8.0
255.07173	3.5
261.02783	16.0
261.08170	3.5
273.08200	4.7
279.03815	3.3
279.09247	2.3
289.02170	16.2
305.04501	1.1
307.03189	8.5
321.11337	100.0
322.11011	1.9
339.11163	1.5
343.64893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94904	0.7
53.03922	1.1
55.05491	0.8
57.73629	0.7
65.03918	1.7
67.05481	3.3
70.06557	1.1
70.90401	1.7
70.90742	1.0
77.03921	0.7
79.05482	5.0
79.97511	0.7
80.05003	1.0
81.03418	1.0
81.07049	4.1
82.06537	1.5
88.66109	0.8
91.05460	5.1
93.05753	1.0
93.07037	3.6
94.06543	4.8
95.04939	2.2
96.04469	1.1
96.08102	1.4
97.02824	0.7
97.06513	7.2
104.42570	0.7
105.07016	2.3
106.06518	1.7
107.07276	1.1
108.08086	2.8
109.06498	1.4
110.06037	7.9
113.05967	0.7
117.05663	0.7
117.06995	0.7
118.06499	1.3
119.04922	1.4
119.08558	1.3
120.04445	6.3
120.08076	2.4
122.06012	12.5
122.06866	1.5
123.04403	2.2
123.06748	2.3
124.07559	12.0
131.08557	1.1
132.08055	0.8
134.05992	73.8
135.06310	1.2
136.07553	56.0
138.05452	2.3
138.09175	1.4
139.03880	4.4
140.07043	2.8
143.08484	0.9
144.08041	1.7
145.07582	0.9
145.08740	0.8
145.10101	1.0
146.05977	2.2
146.08331	1.2
146.09547	1.3
147.04378	1.4
147.09068	0.9
148.07523	1.6
150.05450	1.7
152.07040	62.5
153.07356	1.2
154.06439	0.8
155.03345	2.8
157.08893	1.4
158.09633	2.3
159.10291	1.1
161.05902	1.1
161.07083	1.1
163.03886	1.1
164.07037	85.9
165.07344	1.4
166.08620	3.4
170.08090	4.0
170.09488	1.4
171.10382	1.2
172.11108	7.3
173.07124	3.8
174.07777	1.8
174.09116	1.1
177.05440	1.6
182.08109	20.4
182.09537	1.1
184.09720	1.0
184.11211	1.3
185.08394	1.2
186.09151	1.0
186.12804	4.4
188.10789	0.9
189.10208	3.5
198.09149	2.0
200.10695	8.7
202.08673	1.0
202.10857	1.5
203.11761	1.4
206.08463	1.8
214.08626	1.7
214.12221	10.9
215.03308	2.5
215.11853	1.1
218.08061	1.4
229.13373	1.1
232.13391	7.7
235.82390	0.9
239.11731	2.1
240.10114	2.7
242.11749	9.9
243.11249	3.6
244.12077	4.5
257.12845	4.5
258.11218	0.9
260.12787	20.2
261.04004	0.9
262.13052	2.6
267.11301	3.6
275.13760	1.7
275.16449	2.1
285.12244	14.1
285.15027	1.4
290.12485	3.9
291.13132	0.9
293.14499	0.9
303.13333	100.0
304.13535	2.7
321.14145	16.3
322.14243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1439
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
67.05489	12.9
70.80584	4.7
79.05459	3.0
79.18283	1.3
91.05437	2.4
93.07089	1.4
94.06557	11.6
95.04935	6.6
97.02905	1.7
97.06524	2.3
98.06006	1.5
105.07016	1.8
108.08099	11.8
110.06022	3.8
110.09661	2.5
120.08077	4.9
122.06018	9.5
123.04393	1.8
123.06776	4.0
134.05911	1.9
136.07553	7.7
137.08401	2.0
138.05482	29.5
138.09123	6.1
139.03860	5.9
144.08096	1.6
146.08421	2.0
147.04364	3.0
148.07552	8.1
149.02361	2.0
152.07072	1.6
155.03331	3.1
156.06519	14.1
158.09621	3.9
159.10446	1.8
163.03905	2.1
164.07057	2.1
166.08630	11.8
169.08853	3.2
170.09578	2.3
172.07532	1.4
173.10709	1.9
173.58408	1.4
174.07843	4.3
174.09161	2.2
177.05374	2.6
183.09096	2.8
184.11261	3.7
186.09135	4.1
189.05421	1.7
189.10201	5.8
190.08566	3.1
194.09563	2.6
195.09175	2.1
196.09883	15.1
197.10651	4.1
199.08556	2.1
201.10094	2.3
202.08612	7.3
202.10883	4.6
202.12431	3.4
203.03378	6.5
203.11768	2.9
206.08348	26.3
209.07066	3.1
209.10817	2.5
210.11412	2.6
211.08644	2.1
211.12244	17.3
212.10762	2.6
214.08604	6.4
215.03378	2.2
215.09334	5.3
215.11473	1.3
220.09943	5.9
221.10707	14.3
223.08636	8.3
224.09369	12.0
225.10060	2.1
226.10980	3.5
227.08110	6.8
227.11693	1.8
229.13329	2.8
230.11748	4.5
232.09677	2.7
233.10411	2.2
237.10236	6.2
238.11053	8.9
239.08118	3.4
239.11749	34.0
239.14084	2.8
241.09682	3.8
243.11281	2.1
244.12178	7.5
244.57312	1.3
252.08875	2.0
257.12787	13.3
258.11160	8.3
261.12305	1.8
262.13058	1.8
267.11240	67.7
272.11511	4.0
275.13815	9.1
276.12207	13.4
285.12277	100.0
286.12808	4.1
290.12552	6.9
293.14960	2.1
303.13342	73.0
304.11407	7.2
321.14346	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1691
Annotation	beta-Zearalenol
Peak:m/z	Relative Intensity
51.45063	0.9
53.03926	1.3
55.01862	3.6
55.05498	3.1
56.12976	1.1
65.03936	2.0
67.05487	7.1
68.66987	1.0
68.99786	2.5
69.03419	3.2
69.07047	6.4
70.06586	3.7
71.14172	1.1
71.14513	1.9
72.08167	1.5
73.02892	1.5
79.05483	11.9
81.03429	1.3
81.07049	5.4
83.04967	7.6
84.08132	1.2
85.06538	4.8
91.05462	12.6
93.07039	5.8
94.06570	3.3
95.04938	8.1
95.08611	3.2
97.02872	1.9
97.06512	100.0
98.06916	2.0
99.08072	5.2
103.05464	1.2
105.06998	9.1
107.04952	2.5
107.07298	1.1
107.08562	5.8
108.08116	3.1
109.02868	1.4
109.06513	1.3
109.10174	1.3
109.24437	1.0
111.08015	4.5
115.05434	2.2
117.06998	5.7
119.04902	1.5
119.08559	6.7
120.08116	1.6
121.10145	1.6
122.06007	2.2
123.04427	9.8
123.08076	2.3
125.05968	6.3
125.09605	10.4
128.06230	2.5
129.06998	2.8
131.08536	10.2
133.06468	1.6
133.10103	7.7
135.04428	3.8
135.08037	1.8
135.11670	1.0
136.07581	3.9
137.05986	1.8
138.05479	8.8
138.09149	2.8
139.03877	8.6
141.07024	3.3
142.07806	1.4
143.08534	11.6
145.02890	2.4
145.06520	1.3
145.10109	7.0
147.04422	3.5
147.07994	2.3
148.07564	2.1
149.05916	1.0
149.09644	1.8
151.03951	2.2
152.07080	3.0
153.01843	1.8
153.05482	1.4
153.06966	1.0
154.04990	1.5
155.03349	4.8
155.08475	7.0
156.06580	4.0
157.10089	9.5
159.04366	1.4
159.08015	9.5
159.11742	3.2
161.05989	1.3
161.09586	8.3
163.03847	4.6
163.11162	1.1
164.07100	3.6
166.08629	3.6
167.08609	3.4
169.01404	1.2
169.10091	5.9
171.08009	1.7
171.11693	2.4
174.07930	1.5
177.05479	3.8
177.09100	4.5
179.03365	1.5
179.08568	1.2
181.10197	3.2
182.08273	1.8
182.10826	1.6
183.11723	4.3
185.09634	1.8
185.13284	4.0
187.03896	2.9
187.11217	1.5
189.05478	4.0
190.09868	1.7
191.03380	1.5
194.10962	1.1
195.11647	4.4
196.10042	3.0
196.12549	1.3
197.13301	3.9
199.14935	2.3
199.29384	1.0
201.01704	1.1
201.09003	1.1
202.08737	2.3
203.03444	3.8
206.08368	5.6
207.10069	2.1
209.13271	4.0
211.12358	4.4
211.14873	6.9
212.10739	1.4
213.05498	2.9
213.12747	2.0
214.08743	1.5
215.03339	10.9
221.10786	3.5
221.13290	2.8
223.08751	2.3
224.09492	3.2
227.08263	1.2
227.14343	1.4
229.05095	1.3
229.15923	2.6
230.11707	1.5
232.09785	1.2
233.04515	1.1
238.11026	1.5
239.11844	7.7
239.14349	5.7
241.15953	4.1
244.12183	3.1
245.15314	1.6
247.06050	1.8
255.13902	1.0
256.10794	1.4
257.04504	3.4
257.12823	3.5
257.15469	9.4
258.11240	2.5
261.04059	3.0
261.38840	0.9
262.13092	1.5
267.11252	17.9
267.13788	1.8
268.11618	1.7
273.14838	6.7
275.05499	6.8
275.13870	3.1
275.16388	17.5
276.12448	3.0
276.16794	1.4
285.12360	25.2
285.14987	11.9
290.12592	1.8
291.15967	5.1
293.17395	1.1
303.05222	1.9
303.09628	1.8
303.13232	11.6
303.16028	34.7
304.12384	2.1
304.16434	2.6
321.17093	73.2
322.14096	4.4
322.17398	4.0
322.21121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1692
Annotation	beta-Zearalenol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01870	1.9
55.05497	3.2
67.05490	5.4
68.99775	1.4
69.03403	1.9
69.07053	7.2
70.06573	1.7
70.81586	1.3
70.81961	1.4
72.08127	0.8
75.32435	0.7
79.05486	9.7
81.03429	1.1
81.07049	4.0
83.04968	7.5
85.06559	4.1
85.06976	0.7
88.42059	0.7
91.05463	10.8
91.05972	1.1
93.07028	4.5
95.04939	3.5
95.08593	2.4
97.06516	100.0
98.06860	1.5
99.08076	4.1
101.83967	0.7
102.43398	0.7
105.07023	9.0
107.04918	1.2
107.08581	4.0
109.06524	1.1
109.10144	1.7
111.08064	3.0
115.05385	1.4
117.03371	0.8
117.06995	5.5
119.08559	5.9
120.08068	1.1
121.06468	0.9
121.10130	1.1
122.05994	0.8
123.04389	1.6
123.08042	2.2
125.05987	4.5
125.09592	10.0
128.06203	2.9
129.06978	5.0
131.08539	8.9
131.32022	0.7
133.06473	1.9
133.10110	8.2
135.04437	1.0
135.08008	2.0
139.03905	1.3
141.06963	2.3
141.09122	0.8
142.07774	1.8
143.08560	9.3
145.02876	1.4
145.06474	1.7
145.10091	6.5
147.04399	1.5
147.08011	1.6
147.11635	1.3
149.02330	1.0
149.09636	1.0
153.01822	1.1
153.05452	0.9
154.07744	0.9
155.08545	6.8
157.10101	10.2
159.08043	11.4
159.11687	2.4
161.09608	6.5
163.03923	1.2
163.07518	0.8
163.11174	0.7
165.05598	1.0
165.06956	1.4
167.08553	2.8
168.09346	1.1
169.10123	6.2
171.07973	1.0
171.11639	2.3
173.09621	2.0
177.05383	1.4
177.09109	2.9
179.08525	2.2
180.09315	1.4
181.10115	3.1
182.11018	1.3
183.07947	1.0
183.11674	4.1
184.76889	0.8
185.09639	1.7
185.13242	3.8
187.11160	0.9
187.14735	1.0
191.08530	0.8
193.10144	1.8
195.11687	3.4
196.12465	2.0
197.13249	2.2
199.14810	2.6
201.09105	1.4
205.08475	1.1
207.10149	1.7
209.13243	3.4
209.38872	0.7
211.11192	0.8
211.14806	8.8
213.12752	2.4
213.16135	1.4
215.14268	1.4
221.13220	2.6
227.14224	1.7
229.15845	2.1
239.14227	5.6
241.11995	0.8
241.15826	4.6
245.15350	1.3
255.13702	1.7
257.15314	6.6
259.13333	1.1
261.14822	1.0
267.11252	1.5
273.14886	5.5
275.13757	0.6
275.16385	14.9
276.16833	1.0
285.12134	1.3
285.14853	9.4
291.15814	4.1
293.17426	1.2
303.13531	1.7
303.15909	27.6
304.16281	1.6
321.16946	51.1
322.13879	1.1
322.17230	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2418
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03931	2.6
55.05496	10.1
57.07065	5.7
57.88462	2.1
59.04967	2.3
61.91875	1.9
63.02493	1.8
67.05485	13.4
69.03420	11.4
69.07049	18.9
70.93520	4.1
70.93906	2.6
71.04979	18.8
79.05470	8.2
81.07040	46.7
83.04950	3.9
83.08612	6.4
85.06509	3.6
85.81557	1.9
91.01545	1.6
91.05451	9.5
93.07027	34.5
95.04948	3.3
95.08590	32.3
97.06502	1.8
97.10182	1.8
99.08076	2.9
101.99117	1.7
103.13750	1.8
103.39248	1.8
105.03385	2.8
105.07008	26.2
107.04925	2.6
107.08579	39.2
107.62660	1.8
108.08863	2.1
109.06493	7.7
109.10137	20.5
111.08071	4.3
117.06989	5.2
119.08544	29.4
121.06486	14.5
121.10130	35.1
123.08072	4.6
123.11675	29.0
125.09602	2.1
127.11137	3.1
130.07703	3.2
131.08516	8.9
133.10109	22.0
135.08011	11.9
135.11667	54.4
136.11995	2.7
137.09595	5.8
137.13234	8.3
138.75879	1.9
140.48491	1.9
141.12718	18.8
142.07718	3.3
143.08528	6.0
145.09081	2.9
145.10110	20.4
147.08011	4.5
147.11690	12.9
149.05959	2.5
149.09584	9.3
149.13261	2.2
151.11119	2.6
153.12730	4.1
155.08578	1.9
157.10124	13.3
159.08000	4.7
159.11670	12.2
160.08797	3.1
161.09595	9.9
161.13277	4.1
163.11168	12.5
165.09062	3.2
169.10046	1.8
171.11610	4.5
173.09552	3.6
173.13280	6.2
175.11142	38.2
175.14809	7.0
177.12794	3.0
177.16344	3.1
179.10664	2.6
181.12173	4.1
187.14845	2.4
189.12694	3.5
189.16284	9.0
196.90300	1.9
197.13295	2.6
199.14777	17.4
201.12732	8.3
203.14362	2.2
211.14790	3.4
213.16318	2.6
215.14340	4.0
215.17903	4.1
217.15860	3.3
229.15897	5.5
233.19046	9.5
257.18933	2.5
257.22586	4.3
261.22110	5.2
267.20959	7.7
275.23651	6.3
285.22113	36.4
303.23117	100.0
304.23468	4.0
321.11322	2.8
321.24130	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	321.242
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03931	2.2
55.05505	10.0
56.19701	1.8
56.59579	1.7
57.07056	6.0
62.26877	2.3
67.05498	16.4
67.67829	1.7
69.03416	13.4
69.07056	22.0
69.62436	15.2
71.04981	22.6
79.05478	15.7
81.07043	55.6
83.08606	4.3
85.06499	3.2
91.05476	11.3
93.06503	3.2
93.07036	38.6
95.04952	7.5
95.08596	38.5
97.06501	4.9
97.10136	4.1
98.21426	2.9
99.08101	3.7
105.07021	29.3
107.08576	41.3
109.06473	7.8
109.10129	27.5
111.08029	4.0
117.07003	3.1
119.08561	37.9
121.06494	15.9
121.10135	37.2
123.08041	6.0
123.11683	28.4
125.05894	1.9
125.09621	2.3
127.11181	2.6
129.06984	3.7
131.08540	8.2
133.10127	19.6
135.08063	10.2
135.11673	51.9
137.09592	6.2
137.13274	10.4
139.11130	5.4
141.12706	18.5
142.07727	2.3
143.08539	4.8
145.10097	21.0
147.08037	4.3
147.11652	13.4
149.09605	8.8
149.13202	4.4
151.11168	3.6
153.12718	5.4
157.10127	12.1
159.08028	4.2
159.11678	11.7
161.09633	9.1
161.13240	7.2
163.11104	13.5
163.14766	2.4
165.05411	2.0
165.09076	4.9
171.11696	5.8
173.09558	4.5
173.13234	5.0
175.11174	38.0
175.14799	6.9
177.12801	2.1
177.16304	3.3
179.10632	3.3
181.12181	4.3
187.11119	2.8
187.14738	4.8
189.12753	4.1
189.16351	7.8
197.13182	2.6
199.14850	13.5
201.12709	7.5
201.16272	3.2
211.14786	5.4
213.16333	5.5
215.14494	2.3
215.17900	6.2
217.15842	3.2
219.10631	1.8
221.36012	2.0
229.15784	4.4
231.17310	2.7
233.19031	8.0
247.16808	2.0
261.08972	2.3
261.22226	4.4
267.21060	8.3
275.23697	9.0
285.22113	31.1
298.66742	2.2
303.23154	100.0
304.23529	6.0
321.24210	34.3
322.24582	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	321.2418
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03917	1.9
55.01843	2.1
55.05506	15.4
57.07054	6.1
63.77957	1.8
67.05488	22.9
69.03423	18.8
69.07056	27.6
69.34653	21.1
71.04982	21.9
71.08649	1.9
73.06537	2.2
79.05484	14.6
81.03371	3.1
81.07040	60.4
83.04958	9.9
83.08595	9.2
85.06516	4.5
91.05464	17.0
91.39915	1.8
93.07030	41.8
94.28643	1.7
95.04948	9.3
95.08582	43.9
97.06508	6.1
97.10136	3.5
99.04459	2.0
99.08060	2.1
105.07006	31.8
107.08571	50.0
109.06492	10.4
109.10126	39.4
110.10486	1.8
111.04426	2.4
111.08059	7.3
111.11668	2.2
115.05460	1.8
115.27721	2.1
117.07001	5.2
119.08558	32.7
121.06494	15.3
121.10125	47.8
123.08027	5.9
123.11684	32.7
125.09625	4.1
126.04475	1.6
127.11172	3.9
129.07030	2.3
130.07735	3.4
131.08536	10.5
133.10109	26.0
135.08044	12.9
135.11668	57.1
137.09589	10.5
137.13226	12.1
139.11143	4.6
141.12706	23.8
142.07678	3.0
143.08531	6.5
144.09303	2.3
145.10098	27.6
147.08035	2.7
147.11653	15.5
149.09576	12.2
149.13217	7.9
151.11122	5.7
153.09059	1.9
153.12715	4.7
155.08519	2.6
157.10086	16.4
159.08025	6.3
159.11646	18.3
161.09576	10.8
161.13202	8.1
163.11165	16.2
163.14835	3.1
165.09079	7.6
165.12683	4.2
167.10638	3.5
169.10071	4.0
171.11633	6.5
173.09604	5.5
173.13200	6.4
175.11145	38.5
175.14772	7.0
177.12737	3.9
179.10579	3.5
181.12154	3.9
185.13284	3.4
187.11139	4.9
187.14780	5.4
189.12741	6.1
189.16331	7.5
189.93033	1.8
191.10663	2.9
191.14273	2.7
197.13289	4.2
199.14801	14.3
201.12601	8.9
201.16359	3.9
203.14296	3.0
203.17813	2.7
205.15849	3.2
211.14798	5.3
213.16335	4.3
215.14241	5.0
215.17918	6.9
217.15756	3.7
225.16391	2.2
229.15814	5.3
233.15207	2.1
233.18919	8.9
235.16867	2.2
243.17346	2.9
247.16939	2.9
257.22482	2.7
261.22064	3.8
267.20935	7.5
275.23648	8.2
285.22070	34.6
303.23138	100.0
304.23544	5.7
321.24222	34.2
322.24545	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2735
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
50.38031	0.3
53.03926	0.7
55.05503	5.4
57.07071	1.0
60.04523	1.0
62.06078	100.0
65.03922	0.6
67.05492	16.9
68.05791	0.3
69.07062	4.3
70.02934	0.3
71.05002	0.4
79.05022	0.6
79.05482	10.9
81.07042	18.4
83.04982	0.3
83.08597	2.2
84.04578	0.3
85.06551	0.5
88.03986	0.4
91.05460	5.0
93.07030	12.3
95.04952	1.5
95.08589	12.4
97.06502	0.7
97.10175	1.1
98.06025	0.6
99.04427	0.3
99.94579	0.3
105.07020	3.5
107.08576	7.5
109.06539	0.5
109.10135	6.0
111.08113	0.3
112.11324	0.3
117.06998	1.4
119.04987	0.3
119.08540	2.9
121.10121	5.9
123.08057	0.4
123.11684	2.3
125.09577	0.7
127.07517	0.3
130.08662	0.6
131.08542	2.5
133.10121	2.1
133.28653	0.4
135.11674	3.3
137.13240	1.1
144.10181	0.8
145.10086	1.7
147.11676	1.1
149.13260	2.1
151.14764	0.6
152.74271	0.3
157.55161	0.4
158.11699	0.5
159.11685	1.6
161.13217	1.6
163.14813	1.2
172.13292	0.6
173.13257	1.2
177.16347	1.6
177.86758	0.4
186.14937	0.8
187.14761	0.6
200.16496	0.9
201.16429	0.4
203.12749	0.4
212.16350	0.4
214.17946	0.5
223.13408	0.3
226.17993	0.4
228.19556	0.5
238.17996	0.4
240.19478	0.5
243.21042	2.0
252.19643	0.3
261.22159	3.4
291.19501	3.2
304.26248	2.7
305.21320	0.7
305.24692	1.7
322.27353	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83488	2.6
56.96557	100.0
61.02894	4.0
68.62481	2.9
69.03432	3.5
70.98109	18.9
71.39803	4.2
71.40126	4.4
71.95261	3.4
74.97588	13.6
84.96034	5.0
85.02874	6.5
88.99156	9.0
93.21905	2.9
97.02900	4.9
98.97560	95.8
103.00623	9.8
110.97516	3.4
112.99093	18.2
114.97048	3.6
115.00732	3.5
116.97779	4.0
116.98608	67.0
117.02219	4.9
119.01875	4.7
120.02007	4.1
120.78452	2.8
121.01635	32.1
124.95496	6.1
128.98572	13.8
131.00145	28.2
132.98062	17.3
133.01691	8.7
133.03381	7.2
134.99643	29.3
135.03197	19.5
139.02698	7.2
139.03780	4.3
142.96527	7.2
144.98099	6.7
145.01700	8.1
146.99632	17.0
147.03223	3.9
149.01202	17.0
150.99127	33.1
156.98108	4.0
158.01215	4.2
158.99638	12.5
161.01199	3.9
161.04724	4.3
161.07060	7.7
162.99074	5.2
163.02679	9.3
163.03877	7.1
165.00681	9.5
169.00209	10.7
170.95984	8.1
173.01157	4.5
174.99162	12.0
175.02763	10.0
177.00723	8.8
177.04198	4.6
188.97061	27.2
189.00600	17.3
190.98631	10.9
191.02219	14.2
193.00208	49.8
193.03859	11.9
198.99147	3.8
202.98569	20.1
205.00168	4.8
206.98125	15.0
207.01761	10.7
211.01285	10.5
211.04773	4.8
217.00183	12.0
218.99841	3.5
219.01779	6.6
220.05983	3.9
220.99686	37.1
221.03094	4.7
221.06938	5.5
223.04861	6.8
224.99200	4.8
230.98125	31.5
231.01660	4.3
235.01244	7.1
235.04919	12.3
237.02829	6.1
239.00607	15.6
244.99620	14.3
247.04869	4.6
248.99149	15.4
249.02711	26.1
253.05936	4.5
263.00693	50.6
263.07993	3.0
267.03976	5.4
281.01794	39.2
281.05219	9.5
281.08960	8.2
299.02844	11.5
323.06384	6.2
323.10242	27.1
337.07852	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0752
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
54.14376	1.4
55.01855	3.5
65.03939	1.4
67.01849	4.9
67.05480	2.9
68.99783	9.0
69.03406	2.5
69.07074	1.4
69.37780	1.4
69.85225	3.1
69.85635	5.4
70.06577	1.6
71.04974	2.5
71.27660	1.4
72.08118	1.5
74.05733	1.4
74.90262	1.2
77.03883	2.1
78.04689	3.2
79.05470	4.0
81.03388	3.7
81.07030	2.4
83.01305	2.8
83.04951	2.0
85.02885	1.3
91.05463	5.2
95.04955	5.7
103.05411	2.4
105.03384	1.8
105.07014	3.4
107.04913	1.8
107.08575	2.5
109.02872	4.4
111.00787	1.9
111.04412	3.9
111.08073	1.7
113.02316	2.9
115.05428	2.5
119.04923	6.5
122.05978	2.5
123.04408	90.0
124.05208	22.2
125.02317	2.0
127.03896	5.4
131.08539	1.7
135.04372	6.4
136.07536	6.1
137.02318	8.6
139.03871	38.0
143.04900	1.8
143.08566	1.9
145.02782	2.3
147.04373	17.9
149.02350	2.7
149.05916	2.2
150.03102	1.8
151.03886	3.8
152.04680	16.3
153.01828	3.9
154.02582	4.2
155.03365	100.0
156.03726	2.0
156.12685	1.5
159.07968	1.7
161.05945	6.1
163.03903	8.8
164.07063	6.2
165.05447	5.1
165.06827	1.3
167.03397	4.1
167.08342	1.8
169.05031	1.6
171.02917	1.8
177.05476	1.9
179.03366	4.2
181.04915	3.1
183.02879	2.6
189.05498	3.5
195.11795	1.9
205.64690	1.5
213.05502	1.5
217.04782	2.1
219.06554	2.3
220.28046	1.5
231.08141	1.6
241.04919	1.9
259.13266	5.3
277.14273	18.8
285.21542	1.4
287.13849	4.9
291.10162	4.0
295.15378	10.4
305.06381	2.1
305.14514	1.7
323.12430	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	323.0757
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
52.25976	0.8
53.03918	1.2
55.01861	2.1
55.02122	0.9
57.15123	0.9
57.92598	0.8
65.03922	2.9
67.01866	2.5
67.05483	3.9
68.99782	7.2
69.03414	4.2
71.04977	1.5
71.68027	1.2
72.08150	2.3
76.61148	0.9
79.05474	5.4
81.03398	2.4
83.04978	3.0
85.02901	1.6
89.03896	0.9
91.05460	1.3
93.03402	2.7
93.36219	1.0
95.01316	0.9
95.04942	5.6
97.02867	10.4
99.04437	2.6
105.03421	1.0
107.04939	7.8
109.02873	2.8
111.00799	2.0
111.04443	5.5
113.86881	0.9
114.22855	1.0
117.03371	1.7
119.04903	1.2
121.02847	3.1
121.06490	2.4
123.04403	15.9
125.02335	1.0
127.03909	5.2
130.04877	1.0
131.04893	1.4
131.08646	0.9
133.02838	1.9
135.04420	10.5
137.02315	3.8
137.05862	1.1
139.03877	100.0
140.04208	2.5
145.02843	3.3
145.06569	1.2
146.03140	1.5
147.04372	4.4
149.02344	2.8
149.05974	2.6
150.03128	0.9
151.03889	15.7
153.01878	1.9
153.05418	2.2
155.03371	48.1
156.03752	2.7
159.04379	2.0
161.05951	1.8
161.07935	1.4
163.03879	27.3
165.05464	2.0
167.03377	3.0
169.04929	2.0
171.04405	1.6
173.06004	1.0
175.03900	2.2
177.05423	4.4
178.05780	2.1
179.03349	9.1
181.04945	18.2
185.05960	1.1
189.05402	1.6
191.06952	1.2
193.04938	3.9
199.03922	1.5
201.05466	3.7
203.03419	2.5
212.04642	3.1
213.05466	3.1
215.07021	2.0
217.04987	3.8
219.06528	1.4
231.06552	3.4
240.04108	5.0
241.04880	3.0
243.06508	5.2
245.04465	4.0
259.06018	3.7
261.07544	5.1
263.10321	1.0
269.04391	16.5
277.06876	1.5
287.05453	14.6
305.06549	7.0
323.07385	2.9
323.11594	3.1
323.21530	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0755
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
55.01866	3.1
59.53921	1.6
65.03946	3.0
67.01859	2.0
67.05480	2.5
68.99789	8.8
69.00122	1.6
69.03397	2.2
69.36553	19.9
81.03398	2.0
83.01317	3.2
83.04961	2.1
91.05497	2.4
95.04959	3.8
97.02917	2.0
97.13832	1.7
105.03355	2.3
107.04939	2.9
109.02851	4.8
111.00780	3.4
111.04431	4.0
113.02381	2.2
119.04956	2.2
123.03510	4.0
123.04411	83.0
124.05196	24.6
125.02293	2.3
127.03898	3.5
131.04913	1.8
135.04379	5.1
137.02292	7.3
139.03889	30.8
141.01764	1.9
143.04903	1.9
147.04396	11.3
149.02371	2.4
151.03888	6.6
152.04657	16.3
153.01810	4.0
154.02493	2.0
155.03366	100.0
156.03737	2.5
161.05974	5.8
163.03928	11.9
165.05490	2.7
167.03343	4.6
169.04965	2.1
171.02827	2.9
177.05438	2.3
179.03406	5.6
181.04910	5.0
182.02046	2.6
183.02917	4.6
197.04419	1.9
213.05315	2.2
217.04933	3.0
230.11887	2.3
245.04430	3.4
259.06107	2.8
263.10251	6.5
287.05490	6.4
298.32727	1.9
305.06442	6.9
323.07516	5.3
323.12479	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	323.1271
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.05487	2.2
67.05473	5.4
69.03407	2.9
69.07042	5.2
70.83820	4.0
71.04972	2.3
72.08141	1.9
73.40961	1.4
78.14948	1.6
79.05469	7.2
81.07045	11.1
83.04932	1.2
84.04481	1.6
85.06477	1.8
87.91634	1.5
91.05463	6.3
91.41278	1.2
93.07018	5.2
94.04158	2.4
95.04954	2.0
95.08590	7.9
97.02850	1.7
103.05439	4.5
105.07027	13.7
107.04927	1.5
107.08560	4.4
109.06472	3.4
109.10142	6.5
111.08061	1.7
115.05413	4.0
119.08539	3.6
121.10123	3.9
122.03609	5.6
123.11665	3.8
128.06221	1.7
129.07019	1.3
131.04901	1.8
133.06444	8.0
133.10115	2.0
135.04367	1.7
135.08032	1.7
135.11668	2.2
137.05952	54.9
137.07004	2.6
139.11118	2.2
143.08528	1.3
145.02863	1.7
145.10129	1.9
146.03618	11.0
149.05942	2.2
149.13217	2.2
151.07556	1.2
153.09096	1.7
153.12625	1.6
159.11696	1.5
161.05956	100.0
163.11195	1.7
167.04904	2.2
171.08011	1.3
175.07385	1.4
177.05481	2.1
178.05760	3.6
184.05151	1.3
187.07567	2.2
191.08513	4.1
192.09326	3.1
199.07494	16.2
202.07747	20.5
203.08540	33.8
204.09117	2.4
205.06450	3.6
205.10062	1.3
207.07953	1.9
213.06970	2.0
215.08641	1.5
219.07996	11.3
220.08769	13.1
230.07228	4.4
231.08020	50.0
232.08725	10.5
235.11208	3.1
243.07947	1.7
245.09415	1.7
247.07497	8.9
248.08286	26.6
249.09024	3.8
258.06754	3.7
259.07507	38.0
260.08282	20.1
261.08862	2.8
262.09756	2.3
263.10626	27.9
265.08566	3.7
275.06992	2.6
276.07776	18.0
277.08383	6.6
279.10071	1.8
290.09494	1.8
291.10114	75.4
292.10608	8.1
293.08142	7.5
295.13162	4.0
307.09390	1.6
308.10394	7.0
323.12711	95.1
323.21793	2.8
323.25391	2.3
324.13031	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1272
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03939	4.9
55.01855	7.6
55.05502	25.5
56.96556	8.8
57.03418	4.8
57.07060	13.4
59.04976	5.5
67.05489	39.1
69.03416	13.1
69.06741	4.5
69.07064	53.8
70.09952	14.3
70.10368	7.6
71.04973	9.3
72.57491	4.3
79.05489	15.3
81.07044	75.7
82.88507	3.6
83.04942	6.0
83.08608	28.4
85.06538	6.3
90.04733	3.9
91.05450	16.0
93.07030	50.6
95.04945	12.9
95.08595	68.1
97.10154	14.0
98.20753	4.7
98.97588	6.9
99.08088	4.2
105.07019	28.3
107.04922	8.5
107.08570	37.3
109.06519	9.7
109.10137	47.7
111.04415	12.3
111.08014	7.7
111.11705	9.1
119.08553	25.3
121.06448	7.6
121.10132	29.9
123.08088	8.3
123.11693	21.0
125.09619	4.4
128.19582	3.7
128.42740	3.9
131.08562	7.6
133.10132	28.5
135.11678	16.5
137.09602	30.6
138.36618	4.8
139.11183	11.4
145.10104	6.3
147.08069	6.0
147.11642	13.6
149.05945	6.3
149.09566	5.6
149.13248	16.8
151.11154	8.0
157.12198	7.2
161.09612	21.6
161.13257	7.9
165.09100	14.9
167.10689	8.0
171.11707	4.9
173.13249	6.2
175.11153	5.4
175.14775	6.9
177.16432	4.4
178.07761	4.9
179.08333	4.4
179.10658	9.5
189.16418	5.8
191.08505	7.9
192.09328	3.8
193.12135	7.5
195.07965	9.1
202.07784	7.3
203.08542	13.3
208.08791	11.9
213.16266	5.9
219.08128	6.5
219.62805	4.2
220.08701	9.5
221.09642	9.9
223.07513	4.4
223.11264	7.6
224.08334	5.0
231.08018	9.2
232.08870	6.5
233.09639	5.2
235.11040	19.5
237.09059	9.4
239.10632	10.1
245.09689	4.7
245.22617	4.4
248.08163	9.2
249.09042	17.4
251.10757	5.3
252.11504	4.7
253.12149	27.2
263.10611	48.5
264.11368	24.7
265.08575	8.0
267.13809	12.4
269.22427	5.3
274.09842	7.9
277.08694	7.4
277.12195	15.0
279.10162	6.6
280.10925	13.2
281.11664	5.6
283.06308	9.9
287.23672	7.8
290.09348	5.1
291.10168	22.5
292.10901	11.1
293.08054	9.6
295.13257	40.4
305.11584	14.5
305.24722	16.8
308.10345	10.9
323.09268	7.8
323.12726	100.0
323.26050	20.9
324.12976	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1484
Annotation	CHEBI:68702
Peak:m/z	Relative Intensity
50.64666	0.8
55.01850	1.4
55.05497	2.6
55.93379	0.8
57.03429	5.8
59.04981	0.9
67.05491	3.4
69.46083	0.8
69.87116	1.8
69.87523	4.0
71.01346	6.4
71.04975	5.7
79.05476	5.0
81.07042	8.0
83.04964	1.6
83.62189	0.8
85.02883	0.8
85.06533	0.9
91.05461	6.6
93.07027	6.3
95.04973	2.1
95.08594	3.6
97.06527	2.1
98.21408	0.9
99.04441	3.3
99.08112	1.3
100.07600	1.1
105.03392	4.4
105.07021	7.8
107.08583	5.9
109.06517	3.7
109.10155	1.3
111.08089	2.2
115.05448	1.4
117.06987	5.9
119.08599	4.0
121.06501	3.1
121.10111	1.7
123.08064	1.9
124.07583	1.2
125.07066	1.1
128.06204	2.0
129.06978	5.1
130.07837	0.9
131.08540	8.9
131.75911	0.8
133.02840	0.8
133.06499	1.3
133.10115	5.4
133.90739	0.8
135.04382	1.1
135.08052	2.6
137.05948	1.0
137.15248	0.8
141.06944	4.0
142.07791	1.6
142.67404	0.8
143.08530	13.6
145.06509	1.4
145.10114	8.1
147.11696	1.5
149.05974	1.6
155.08537	10.3
157.10107	13.0
159.08023	6.3
159.11644	4.7
161.09599	19.4
161.13264	1.8
165.06969	3.6
167.08585	2.3
169.10110	5.7
171.08058	2.1
171.11679	4.9
173.09564	5.0
173.13217	2.2
177.09073	1.6
180.09315	3.2
182.10854	1.9
185.09602	1.7
185.13232	9.0
187.11227	1.6
187.14822	3.3
189.09093	1.4
189.12776	1.0
191.08243	1.0
191.10643	1.6
195.11673	18.4
195.13336	1.5
197.13246	6.1
201.09172	1.4
203.10710	2.5
203.14169	1.7
207.06523	1.7
207.10094	5.0
213.12715	18.1
213.14745	1.4
215.14243	10.8
217.12122	0.9
223.11191	2.7
231.13759	7.7
237.98091	0.9
241.12251	5.3
249.14830	6.6
259.13269	37.2
263.07397	0.9
263.10352	1.8
277.14319	100.0
278.14713	2.1
295.15363	53.8
305.13797	31.5
305.17368	1.1
323.14917	36.1
324.15356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.2
55.05497	4.3
57.03420	22.7
61.45902	1.8
67.05496	24.2
69.07063	4.1
71.04987	2.9
71.07460	3.4
71.07784	3.0
71.58010	1.8
79.05479	11.4
81.03425	2.0
81.07037	12.0
83.08598	2.5
85.06536	27.4
91.05453	7.6
93.07036	10.3
95.04950	32.3
95.08575	7.2
97.06505	3.0
105.06995	7.5
107.04967	2.9
107.08592	6.3
109.06500	28.6
109.10122	2.4
113.05987	100.0
117.07003	5.3
119.08536	3.6
121.10099	2.0
129.06940	3.1
129.85153	1.8
131.08522	6.2
133.10106	3.1
135.08037	23.3
140.98412	1.6
143.08536	4.7
145.10042	3.2
147.08008	2.8
149.05978	2.2
149.09680	2.2
157.10028	3.4
158.70578	1.8
159.11702	3.0
161.09581	2.6
167.83983	1.7
183.11690	2.0
217.15875	8.3
240.14810	1.8
245.18648	2.1
273.18417	12.1
291.19507	34.6
305.20969	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1073
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
61.02908	0.5
69.03091	0.1
69.03416	0.9
69.68153	0.1
70.06529	0.1
71.69316	0.2
71.69707	0.2
72.08140	0.2
73.02907	0.3
79.05470	0.4
79.57874	0.2
79.69426	0.2
81.03393	0.6
84.08124	0.7
85.02894	2.0
85.08459	0.4
86.97860	0.1
89.03905	0.2
97.02857	0.6
97.82022	0.2
99.04487	0.2
106.06527	0.6
107.05003	0.2
116.04966	1.6
119.04911	0.2
120.08073	0.2
123.04393	0.6
124.04800	0.2
127.03886	0.5
134.05992	0.4
135.04398	0.4
136.07564	0.2
138.05403	0.2
139.03889	0.2
144.04402	0.2
145.04900	0.3
151.03880	0.2
152.07053	0.2
155.03368	0.2
156.03706	0.2
162.05478	100.0
163.03853	0.9
163.05844	2.5
164.07111	0.4
179.03369	0.2
180.20967	0.2
182.08147	0.2
251.06824	0.2
279.06628	0.2
288.06107	0.2
307.06128	0.2
324.10638	0.8
325.06851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1954
Annotation	CW 69D
Peak:m/z	Relative Intensity
56.71454	0.6
56.96523	0.6
58.26663	0.5
67.05474	0.7
69.03403	0.9
69.07045	1.3
69.50589	0.6
71.69314	0.8
79.05036	0.9
79.05483	18.1
81.07028	1.8
83.08606	0.8
86.39304	0.6
91.05434	1.0
93.07023	2.9
95.04938	1.6
95.08585	1.0
103.05449	37.1
105.07005	2.9
107.04935	19.7
107.08561	1.0
116.98592	0.6
118.06518	5.9
119.08554	0.9
121.06481	1.6
121.10114	0.8
121.49813	0.6
131.04906	11.1
132.05244	0.6
132.08052	2.5
133.08881	1.2
140.98984	0.6
145.10063	0.6
146.09642	1.0
149.05946	0.8
153.11725	0.5
160.11136	0.9
163.03853	1.9
176.14314	46.4
177.14661	0.6
208.06996	0.6
209.89792	0.6
213.57077	0.5
324.19522	100.0
325.10574	0.9
325.19827	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	325.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	12.7
61.02909	0.9
69.03408	2.4
71.67244	0.8
71.67642	1.4
77.79552	0.8
85.02885	2.5
85.85336	0.8
92.29533	0.9
94.06535	1.4
97.02858	0.9
98.97572	8.1
100.99117	1.4
109.04630	0.7
112.99113	82.9
116.98560	3.1
119.00194	1.5
127.03883	1.7
128.98584	0.9
131.00148	100.0
132.00435	0.9
132.91559	0.8
134.99568	1.3
142.87169	0.8
145.01677	1.0
145.07585	12.7
149.01198	46.7
154.01746	2.5
154.03822	1.1
157.01740	0.9
161.01128	1.2
162.01819	0.9
163.02731	1.1
163.04355	5.2
163.08617	9.8
167.02232	3.1
172.02744	1.5
175.02768	9.4
177.00522	0.8
187.02728	2.0
191.03911	1.3
193.03809	32.9
194.01186	1.6
205.03903	1.3
211.04868	22.6
211.97977	1.0
216.05377	1.3
219.01712	1.0
219.05344	5.5
221.03320	3.6
235.04514	6.0
235.06583	3.5
237.06471	2.5
239.04382	1.7
244.07057	2.5
247.04845	2.5
249.06407	14.1
265.05905	37.8
267.07520	2.8
283.06970	45.1
284.07181	1.4
289.53827	1.0
306.08640	2.5
307.06924	15.8
325.08011	14.1
325.13843	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	325.1064
Annotation	Neoraunone
Peak:m/z	Relative Intensity
51.04393	0.5
53.03934	0.9
55.01854	2.2
55.05513	0.8
65.03911	0.8
67.05487	1.4
69.07054	1.5
69.45808	4.7
69.46237	1.2
71.05009	0.8
77.03910	1.0
78.04672	0.6
79.05475	2.7
81.07034	2.9
89.03899	5.0
91.05462	4.8
93.07008	1.9
93.79441	0.5
94.88315	0.6
95.04428	0.7
95.04947	3.9
95.08588	2.0
96.29400	0.6
98.20728	1.3
103.05447	96.5
104.05663	1.2
104.06310	4.0
105.04519	0.7
105.07021	3.9
107.04935	13.2
107.08579	0.7
109.10145	1.1
115.05430	1.8
117.03355	4.4
117.07032	3.2
119.04945	1.0
119.08563	0.7
120.05714	0.7
121.06514	4.6
121.10147	0.7
122.03673	0.9
123.04404	1.2
131.04903	51.6
132.05736	3.5
133.02811	3.6
133.06474	5.2
135.04384	7.4
135.08023	3.2
137.05949	37.9
145.02820	4.1
145.06444	5.1
146.03607	1.4
147.04381	10.8
147.08031	0.8
147.11716	0.6
148.05139	1.4
149.05946	17.7
151.03864	6.3
151.04961	0.7
151.07573	1.7
155.04881	1.9
159.04395	1.4
161.02315	1.9
161.05913	0.7
163.03880	17.2
163.05284	0.9
163.06430	0.5
163.07510	43.0
164.08301	100.0
165.08751	2.4
173.05995	5.9
177.05444	1.7
179.07042	1.2
180.07820	4.1
183.04367	0.8
187.03876	8.7
188.04671	9.2
189.05312	0.7
189.09492	0.6
191.08487	0.9
194.07040	0.7
201.05431	14.1
205.06352	2.7
219.08057	2.4
221.05968	0.8
222.06758	1.2
223.07484	1.7
233.05974	1.3
236.08168	0.7
237.09154	1.7
247.07526	3.9
249.05443	1.7
250.06276	1.9
251.06993	1.7
251.17932	1.1
263.06921	1.0
264.07779	3.0
265.08469	7.8
267.06467	1.0
270.68124	0.6
275.07025	2.0
279.10184	1.1
281.07965	0.9
282.08838	0.9
283.09622	1.6
292.07333	2.3
293.08005	1.4
295.84912	0.6
307.09583	7.4
325.10651	18.9
325.16470	1.3
325.21359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01873	2.4
57.03426	3.4
61.02918	0.7
64.91287	0.3
67.05500	0.7
69.03421	16.1
71.01340	1.1
71.04984	5.1
71.22362	0.4
71.28628	0.9
73.02898	1.1
75.04490	0.4
79.05445	0.5
81.03407	16.9
81.07057	0.5
84.08121	0.6
86.09702	0.5
86.73019	0.5
89.03893	0.6
91.05460	1.8
95.04968	0.6
99.04435	6.9
105.07016	0.5
107.08616	1.0
109.02832	0.4
109.06448	0.5
116.04944	0.8
117.05473	1.9
118.06530	5.7
119.04922	0.6
120.05308	0.7
121.06464	0.4
123.04385	0.9
133.02831	0.6
135.04411	1.6
135.08051	1.4
137.05957	0.7
145.02774	0.7
145.07588	6.8
147.04376	1.6
147.05460	0.5
147.08047	0.5
147.09149	7.5
148.04749	2.0
149.05823	0.4
159.08002	0.5
162.07878	1.5
163.03867	7.3
163.07487	0.8
163.08641	1.4
163.11261	0.4
173.07085	12.7
175.08636	6.4
185.07126	0.6
189.61514	0.5
190.07191	0.5
191.08128	100.0
192.08443	2.9
194.07234	0.4
201.05397	0.5
205.09683	0.8
215.11852	0.6
233.09192	1.3
250.06268	0.6
265.08530	0.5
279.69727	0.4
282.17072	1.0
289.11621	1.9
293.07993	0.4
307.12823	27.2
308.13214	1.6
325.07367	0.7
325.13882	19.4
326.14120	0.8
331.12265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96557	3.2
57.03434	0.5
58.08730	0.4
69.03407	1.4
70.22928	1.1
70.23330	0.6
79.05465	0.5
83.04950	0.9
84.08112	1.1
85.02876	1.4
89.03973	0.6
91.05460	0.8
97.02886	0.9
98.97562	2.0
107.04933	0.6
110.20826	0.4
111.04407	1.2
112.99115	1.5
116.98602	1.7
117.03370	0.7
118.06517	4.0
123.04421	1.8
124.03963	0.5
127.03959	0.5
127.43792	0.4
128.98575	0.7
131.00171	2.0
133.07593	4.2
134.99640	1.0
135.04436	2.0
136.04718	0.4
139.03885	6.0
143.00151	0.8
145.07582	100.0
146.08107	2.6
146.99651	0.9
147.04364	0.5
147.09137	0.6
149.01236	1.5
152.05688	0.6
153.05408	0.8
153.06490	0.7
161.01167	0.9
163.03908	4.8
163.08640	60.6
164.04128	0.4
164.09013	1.6
172.94342	0.4
174.04541	0.4
180.65875	0.4
189.00620	0.4
190.95398	0.7
190.98645	0.5
193.03838	0.5
193.08356	1.8
209.29030	0.4
217.03468	0.5
219.01791	0.4
235.04832	0.7
250.97472	0.4
265.05997	0.8
283.07004	0.7
307.06686	0.6
325.13895	83.5
326.14307	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Bavachin
Peak:m/z	Relative Intensity
51.02372	0.9
53.03938	5.3
55.01858	2.0
55.05489	1.4
57.07061	0.7
67.05477	1.5
69.03408	1.2
69.07038	1.0
71.15142	1.0
77.03927	0.7
79.05489	3.9
81.03400	1.4
81.07046	2.3
83.04955	0.9
83.08632	0.6
91.05467	22.4
91.06041	1.1
92.05772	0.6
93.07027	25.7
94.04219	0.7
95.04956	8.9
95.08594	1.6
102.04694	0.6
103.05452	21.5
104.05743	0.7
105.04510	2.1
105.06999	7.0
107.04938	21.5
109.06487	1.1
109.10127	0.6
115.05444	2.6
117.06979	4.2
119.04897	1.1
119.08525	1.2
121.06482	100.0
122.06821	2.4
123.04421	0.7
123.08000	1.0
128.06203	3.0
129.06949	3.5
131.04933	2.0
131.08522	2.9
133.06473	4.4
133.10152	0.9
135.04395	1.7
135.08044	2.6
136.24805	0.6
137.05981	1.8
143.08554	1.6
144.05682	4.2
145.06467	5.7
146.07240	2.5
147.04402	1.9
147.08028	4.2
147.11748	0.7
149.05960	1.9
151.07520	3.6
153.09068	0.8
157.06462	2.4
158.07265	1.3
159.04451	1.1
159.08023	12.7
160.05185	1.7
160.08733	0.6
161.05959	11.4
161.09612	5.3
163.03928	3.2
165.09074	5.3
171.08047	0.9
171.63354	0.6
173.05949	18.0
173.09596	1.0
174.06741	7.8
175.07521	19.5
175.11119	1.2
176.08130	1.8
177.09087	2.6
181.06543	0.7
187.07524	3.7
188.08263	3.8
189.09076	60.1
190.09834	6.0
195.08116	0.7
197.09601	0.9
197.13205	0.7
203.06966	0.8
203.10606	7.7
209.09555	0.6
217.08537	4.0
233.09625	1.0
247.11143	1.0
248.62050	0.6
265.12177	1.6
267.10141	0.6
281.11600	1.2
297.14807	83.5
298.15134	4.7
325.14276	46.6
326.14600	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2731
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03938	3.8
55.01851	2.8
55.05506	17.0
57.03429	2.3
57.07065	4.9
59.04996	2.0
62.04512	1.7
67.05495	44.3
68.05814	1.8
69.03423	11.3
69.07055	49.3
69.87006	1.6
70.06598	1.6
71.04974	7.0
71.70246	2.1
79.05474	20.0
81.07043	86.6
82.07378	2.1
83.04977	12.6
83.08614	11.5
84.08202	2.0
85.02877	2.5
85.06527	11.7
91.05461	12.2
93.07028	33.9
95.04958	5.8
95.08588	49.6
95.09198	2.7
97.06512	10.4
97.10157	5.8
99.08091	6.6
99.44173	1.5
103.05425	1.6
105.07015	31.1
107.04945	6.5
107.08577	34.6
107.09251	3.4
109.06505	4.7
109.10138	100.0
110.10455	2.2
110.24372	1.5
111.08069	9.1
111.11687	9.3
117.03381	3.0
117.06954	1.5
119.08559	17.1
121.10124	38.3
123.04430	2.6
123.08096	4.2
123.11691	35.1
124.07571	2.0
125.09581	3.5
127.03913	1.9
127.11169	5.9
128.06233	1.9
131.08519	2.9
133.02908	1.8
133.10106	7.7
135.04385	10.6
135.08067	2.5
135.11682	18.1
136.07600	1.7
137.05940	2.6
137.13263	9.3
139.11159	25.2
141.12804	1.6
143.08565	1.8
145.02837	3.3
145.10126	3.4
147.08009	1.9
147.11656	18.3
149.13232	12.5
151.11180	5.5
151.14842	2.6
153.12726	11.8
157.10129	1.6
159.11697	4.1
161.13211	5.3
163.03883	38.3
163.07632	3.1
163.14780	10.3
164.04141	2.2
165.12726	14.0
169.12187	2.9
172.03871	1.7
173.13258	2.8
175.14850	3.7
177.16324	4.8
179.14397	1.6
183.11536	2.3
187.14864	2.8
189.16437	2.1
190.04951	3.4
191.17882	3.8
201.16315	2.8
203.17839	3.1
215.17984	4.5
251.17932	1.9
257.47354	1.9
259.24243	2.7
265.08511	2.4
271.24133	5.5
277.25229	2.8
289.25320	4.8
306.58511	1.5
307.09747	2.6
307.26212	12.8
325.07187	2.4
325.10895	7.8
325.21423	2.8
325.27536	3.0
346.05759	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2731
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.58426	1.6
53.03923	2.3
55.01852	7.2
55.05501	16.7
57.03426	1.9
57.07056	10.0
59.04990	3.0
61.21125	1.6
65.03933	2.2
67.05489	30.2
69.03408	5.3
69.07055	34.9
70.08604	1.5
71.04978	11.7
71.08614	1.9
71.70494	1.9
79.05481	17.9
81.03369	2.5
81.07041	100.0
82.07381	2.4
83.04962	6.4
83.08591	11.4
85.02884	2.1
85.06522	16.9
90.85177	1.6
91.05467	9.3
93.07024	35.1
95.04942	5.7
95.08585	89.0
96.08994	1.5
97.06496	8.5
97.10149	6.7
99.08083	6.6
105.07014	13.0
107.04966	2.7
107.08571	34.5
109.06503	4.4
109.10133	36.8
111.08059	53.8
111.11706	6.5
113.09640	2.2
117.03322	2.5
119.08550	13.1
121.10104	21.6
123.08045	2.2
123.10787	2.3
123.11678	40.1
123.12523	3.3
125.09621	5.7
126.19107	1.6
127.11164	5.9
127.77130	1.8
131.08504	1.6
133.10078	9.7
133.61905	1.6
135.04501	2.0
135.11684	15.3
137.13214	26.3
139.11143	7.5
141.12665	2.2
143.08546	2.7
145.02838	2.3
145.10069	4.2
147.04317	1.6
147.11624	7.9
149.05905	2.2
149.13219	26.0
151.11159	9.9
151.14825	3.2
153.12727	5.1
157.10135	1.9
159.11691	6.5
161.13223	3.6
163.03848	13.0
163.14828	5.4
165.12724	4.8
167.14320	3.2
175.14818	4.0
177.16423	3.3
189.16333	2.3
191.17969	3.4
193.15819	2.2
203.17932	7.4
215.17880	2.0
217.19591	2.2
221.06047	1.6
230.10162	1.7
251.17900	2.5
271.24240	4.7
277.25284	5.8
289.25073	9.3
307.09570	2.1
307.26248	22.8
325.10709	3.5
325.27405	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	326.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71122	0.9
54.35936	0.8
56.96555	21.9
60.95818	1.5
70.27090	5.0
71.95229	4.4
76.08360	0.9
79.21549	1.0
81.41160	1.1
97.02878	7.3
98.97554	35.0
98.98431	34.6
99.97855	1.1
101.00893	1.3
102.96800	1.7
110.88198	1.0
113.03469	6.8
116.98602	43.0
116.99390	2.1
119.01903	11.7
120.01965	2.0
120.97884	2.0
121.01610	1.2
130.93230	1.4
134.01184	1.0
134.99632	48.0
137.02916	6.1
138.98878	1.5
140.00179	1.2
142.03418	1.5
149.48390	0.8
153.00690	10.7
158.01241	3.0
159.06192	1.4
160.04507	1.8
172.94324	1.4
174.99164	4.4
177.00888	19.7
178.01036	7.3
179.00734	3.4
181.00389	1.2
183.06090	3.2
184.06224	4.0
187.55022	1.0
190.95332	3.7
192.98662	1.3
200.02696	1.1
201.00919	2.1
201.07184	4.6
202.07320	3.9
208.96323	1.6
210.88976	1.3
217.04066	1.6
217.98897	1.8
218.03546	2.8
219.01959	28.8
219.03682	1.7
220.01979	10.6
221.01714	9.0
222.01884	1.8
223.01405	7.2
225.00905	3.3
226.01216	0.9
228.89995	2.9
230.93158	1.6
232.96529	2.2
234.99768	2.0
236.00014	6.4
236.99677	2.9
243.01836	9.4
244.02058	1.6
246.03001	1.0
246.91057	3.1
250.97552	2.0
254.00989	1.5
256.96564	5.0
258.96423	2.2
258.99780	6.1
260.00018	8.0
260.04538	2.6
261.00165	3.6
261.02969	100.0
262.00333	1.4
262.03146	25.3
263.02795	5.2
264.91962	1.6
270.91077	3.0
272.94449	2.1
274.97443	8.5
275.97717	1.2
277.00919	10.5
278.01086	13.9
279.00702	5.1
279.98026	1.1
282.08426	1.2
283.00003	3.7
284.00085	21.1
284.04526	6.0
284.06622	3.2
284.99799	9.6
285.04453	4.3
288.92099	11.6
290.95490	1.2
292.95605	1.2
292.98346	4.9
293.98605	1.0
294.93115	1.2
300.02475	1.1
301.01004	6.3
301.97607	2.0
302.01105	40.2
302.07199	2.8
302.97150	4.0
303.00787	14.5
303.05344	4.3
304.01672	1.5
306.93256	5.4
311.45999	3.2
311.95743	3.7
312.95966	0.9
314.95871	0.9
318.43304	1.3
318.93262	1.7
320.02112	1.7
325.02475	1.7
326.01428	1.4
326.07166	1.5
329.44235	1.2
331.94049	1.5
344.02301	9.2
344.08255	1.4
345.01721	3.9
348.87143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.232
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
50.82983	0.5
53.03940	3.2
53.68643	0.5
55.01857	2.3
55.05510	7.5
55.35569	0.5
56.05017	1.3
57.03418	1.1
57.07067	28.3
57.90688	0.5
58.02950	0.5
60.04512	0.8
65.03909	0.7
67.01836	0.7
67.05495	12.1
67.94936	0.5
68.01380	0.9
68.05014	3.4
69.03410	0.8
69.05824	0.5
69.07069	6.6
70.06580	2.6
70.92345	1.2
71.08621	13.2
72.04501	1.2
79.05495	2.6
80.05011	12.2
81.03407	3.2
81.06607	0.9
81.07047	11.7
82.02924	2.2
83.01325	1.9
83.04952	0.9
83.08606	7.0
84.04492	1.3
85.10171	7.4
88.04009	0.6
91.05467	1.9
93.07021	2.8
94.06512	0.9
95.04950	1.9
95.08592	17.7
96.04482	5.1
96.08981	0.5
97.10139	3.4
97.48125	0.5
98.02409	0.8
98.06039	3.8
98.98452	100.0
100.03963	1.9
105.07036	0.9
107.04938	1.9
107.08594	1.5
108.04455	5.6
109.02847	0.8
109.05264	3.2
109.10146	8.1
110.02399	3.2
110.06026	3.7
111.04436	0.9
112.03952	7.4
114.05561	1.1
116.03439	9.9
116.99491	3.3
121.10136	1.4
122.06050	0.7
123.04422	0.6
123.11694	1.6
124.03961	0.9
126.05496	58.0
127.05962	0.6
128.03426	1.4
131.04979	1.0
135.11688	0.7
136.03902	0.7
137.05927	1.0
140.01086	1.2
144.06517	0.7
149.48576	0.5
151.07552	1.3
165.16299	0.9
174.99207	11.3
183.17406	5.5
211.20572	1.2
248.60458	0.6
249.18500	2.6
250.21565	0.9
250.99953	1.1
252.23245	0.9
262.21692	2.0
263.20007	0.6
268.22629	1.3
290.00290	0.5
296.22171	11.2
298.23706	0.6
308.22162	29.1
309.22653	2.1
326.23209	8.2
327.23795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3047
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05501	7.1
57.07069	1.4
62.06078	100.0
67.05483	5.1
69.07056	10.5
70.88949	1.5
71.08641	1.0
75.50298	0.5
79.05487	3.2
81.07034	6.1
81.07411	0.5
83.08596	6.6
91.05480	0.4
93.07044	2.6
95.08606	4.3
97.10165	3.3
98.98452	8.7
107.08588	1.6
109.10115	2.1
111.11687	1.0
120.67042	0.4
121.10106	3.3
121.62468	0.5
121.70255	0.5
123.11694	0.7
135.11681	3.0
147.92751	0.4
149.13246	0.8
149.37361	0.5
174.99243	1.5
247.24179	1.0
265.25085	0.7
289.20667	0.5
308.29459	4.1
309.27814	6.5
326.17242	0.5
326.30469	20.0
327.30762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0856
Annotation	Millettocalyxin A
Peak:m/z	Relative Intensity
50.87553	0.4
53.78992	0.3
55.01868	0.5
55.05502	0.4
59.66116	0.4
67.05482	2.5
68.99771	0.8
69.03424	2.5
69.07053	0.7
69.45924	0.9
69.46326	3.5
70.06577	0.4
71.04991	0.6
79.05491	0.9
81.03397	1.4
81.07039	1.8
82.95897	0.4
83.04947	0.5
85.02854	0.4
91.05465	7.1
93.03375	0.5
93.07031	0.9
95.04947	1.0
95.08589	0.9
97.02888	0.4
98.98448	90.3
99.04437	0.5
100.11208	0.4
105.03387	0.7
105.07028	0.6
107.04935	1.2
107.08602	0.5
109.02834	0.8
109.10122	3.0
116.99488	3.5
119.04934	4.3
120.05753	0.9
121.02832	1.5
121.06487	0.4
123.04411	15.9
127.03899	1.2
131.04898	1.6
133.06480	0.5
135.04369	0.5
137.02310	0.4
137.05952	2.0
137.09593	4.2
140.01047	1.1
143.05058	0.5
147.04381	28.5
148.05176	2.6
149.05931	0.6
153.01794	0.4
155.10712	0.5
159.04402	0.7
162.93579	0.4
163.03880	11.2
163.07581	0.9
165.05457	1.2
165.09097	2.3
174.99205	10.5
175.03876	100.0
176.04634	9.2
177.05400	1.1
187.03883	1.1
189.03815	0.8
189.05441	11.1
197.50989	0.3
203.03389	1.6
205.04922	18.7
217.04900	1.7
251.00008	1.8
263.06876	0.5
281.08005	1.0
309.07489	2.6
327.04990	7.3
327.08554	72.6
328.04843	0.9
328.08752	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.5
55.01865	5.2
55.05492	13.1
55.29791	2.6
57.03418	4.2
57.07066	3.8
65.04932	2.9
67.05495	28.6
69.07056	19.5
69.85943	4.2
69.86358	14.9
69.96800	2.7
71.06243	2.7
79.05485	24.8
81.03405	5.0
81.07041	34.1
83.08610	5.4
85.06531	4.4
91.05456	37.8
91.05975	4.1
93.07028	81.1
95.04955	88.1
95.08585	58.2
97.06515	15.1
98.21233	5.6
98.98455	100.0
105.07018	68.4
107.08583	41.7
109.06489	14.4
109.10140	24.2
115.05432	7.2
117.06995	18.1
119.08563	66.1
121.06470	15.9
121.10121	40.6
123.08042	13.3
123.11681	6.9
128.06194	6.6
129.06999	9.1
130.07791	4.9
131.08565	27.7
133.10106	54.6
135.08041	10.4
135.11664	15.0
137.09581	3.9
141.06964	5.6
142.07759	11.2
143.08530	24.2
144.09314	7.2
145.06425	3.4
145.10103	39.5
147.11647	18.0
149.09570	5.5
152.06210	5.8
153.06976	9.9
155.08484	9.7
156.09325	7.2
157.10088	34.9
158.10805	6.1
159.08018	5.7
159.11681	41.0
161.09598	11.3
161.13266	5.5
163.11206	3.5
168.05711	3.0
168.09398	5.6
169.10103	13.4
170.10902	5.5
171.11664	16.4
172.12338	4.2
173.13217	13.9
174.99155	10.5
175.03889	8.4
175.11218	5.4
175.14806	23.1
179.08511	6.1
181.10161	3.3
182.10838	5.3
183.11690	10.9
184.12537	3.6
185.13228	11.8
187.11259	6.6
187.14792	12.6
188.64883	3.1
193.10217	2.9
195.11673	7.9
197.13210	11.3
199.14757	10.1
201.16315	5.2
205.15732	3.5
207.11784	3.8
209.13239	8.4
211.14745	7.7
213.16367	3.8
215.14227	3.0
217.15816	4.6
221.13243	6.3
223.14819	5.2
227.14235	4.3
229.15880	3.9
233.03561	6.7
235.14745	6.2
239.14278	3.9
239.18056	3.3
281.22559	4.4
309.22003	9.6
327.07803	31.8
327.23029	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
55.05497	2.1
55.48009	0.5
63.49963	0.5
65.56908	0.6
67.05494	7.3
69.03414	0.5
69.07048	2.1
69.84820	2.3
69.85236	0.9
71.04976	0.9
77.32726	0.5
79.05479	6.1
81.07043	13.3
83.08615	2.7
87.87435	0.5
89.40877	0.5
91.05466	10.5
93.07028	10.5
95.04979	1.1
95.08589	6.5
97.06525	0.9
98.98449	100.0
99.09641	0.5
103.05441	0.8
105.07005	16.0
107.04948	5.3
107.08574	11.9
109.06498	0.7
109.10143	7.1
111.08061	0.9
115.05469	0.9
116.99486	3.3
117.06984	6.1
119.08557	11.9
121.10120	10.9
123.04392	1.2
123.08091	1.0
123.11699	1.0
128.06219	1.3
129.06998	3.2
130.07768	1.5
131.04892	1.4
131.08551	8.9
133.06479	0.9
133.10104	11.1
133.11018	1.0
133.40112	0.6
135.08038	0.6
135.11668	6.6
137.05945	2.2
137.09560	0.8
140.01094	1.1
141.07072	0.9
142.07793	2.0
143.08543	8.9
144.09309	1.8
145.08955	1.1
145.10100	15.2
147.11662	21.8
149.13216	3.2
153.09096	1.0
155.08516	2.0
156.09270	0.8
157.10110	13.0
158.10837	1.0
159.11665	24.1
161.09563	0.7
161.13228	10.2
165.09079	2.4
167.10666	0.8
168.09212	0.5
169.10106	2.4
171.11665	11.3
172.12422	0.9
173.13240	5.3
174.13516	0.6
174.99205	10.9
175.03909	1.6
175.14848	1.2
179.10637	1.4
183.11647	3.5
185.13205	5.8
187.14777	1.0
193.12173	1.1
195.11659	0.8
197.13228	7.2
198.13969	0.9
199.14745	4.4
200.15575	0.9
209.13261	0.6
211.14780	4.1
213.16393	1.9
217.12285	1.4
219.13785	1.2
225.16325	3.2
231.13774	3.1
238.17046	1.5
239.17888	4.4
245.15346	1.4
251.00081	1.4
251.17867	4.7
253.19479	69.1
254.20171	10.3
259.16940	0.6
271.16724	0.9
281.22546	4.1
291.20975	1.7
309.22101	4.8
310.23578	0.5
327.08575	1.2
327.23129	45.3
328.23364	0.9
339.60553	0.7
341.00464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01865	1.1
55.05496	2.8
55.49406	0.6
57.07068	1.0
63.11571	0.6
67.05499	4.3
67.31216	0.7
69.03424	1.4
69.07062	6.3
69.40337	4.7
69.40754	2.5
71.04992	1.3
79.05489	2.4
81.03400	1.0
81.07046	14.3
83.08617	2.5
85.06519	2.0
91.05473	2.2
93.07031	5.3
95.04923	1.1
95.08587	10.3
97.06522	1.2
97.10171	1.0
98.98456	100.0
99.08079	2.2
101.34343	0.8
105.07024	2.8
107.04933	2.3
107.08585	3.5
109.02876	0.9
109.10147	8.2
111.08072	2.9
111.11701	0.9
116.99489	2.7
119.08580	1.8
121.06473	1.1
121.10133	3.0
123.04419	1.5
123.11670	4.8
127.03912	0.8
131.04910	0.9
133.10104	1.4
135.11667	2.1
137.05969	1.8
137.09598	1.9
137.13266	2.7
139.11217	1.0
142.05434	0.7
143.08585	0.8
145.10164	1.2
147.04370	1.2
147.08066	0.8
147.11693	1.5
149.13277	1.1
151.03972	0.9
153.12700	1.0
154.29330	0.7
161.13266	0.8
163.03957	0.8
163.14896	0.8
165.09094	1.9
165.12732	0.9
174.99210	11.2
175.03883	3.3
175.14751	1.0
185.41602	0.6
217.19511	1.0
251.00034	0.7
285.07672	1.3
291.26599	1.0
309.27725	1.2
327.08530	2.4
327.12381	2.0
327.23190	0.8
328.24817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.5
56.96553	19.2
60.95815	0.4
61.02893	0.8
62.18663	0.4
65.28835	0.4
69.03413	0.8
69.67117	1.0
69.67538	1.6
70.06579	2.3
71.04974	0.6
71.95227	1.4
74.97581	0.8
81.03331	0.5
84.08111	1.4
84.96018	0.9
85.02874	1.6
88.16268	0.4
89.03880	0.6
94.06511	0.4
97.02872	0.9
98.97552	17.0
98.98423	32.3
106.53040	0.3
107.04897	0.6
112.61590	0.4
116.98605	15.8
116.99476	1.4
117.03378	0.5
119.01900	0.6
120.08073	0.4
122.06043	0.4
123.04388	1.3
126.02259	0.5
127.03841	0.7
128.98541	0.8
129.10173	0.4
130.93288	4.7
131.00069	0.4
134.05934	0.4
134.99634	12.8
135.04362	1.1
136.07579	0.4
139.03880	2.3
140.00117	0.8
140.03815	0.6
140.06966	0.5
142.01683	0.4
143.00130	0.7
144.03310	1.3
145.02872	0.4
146.99590	1.2
147.04333	0.6
148.04968	1.2
148.07600	0.9
148.94348	2.2
150.05458	3.0
152.07022	1.5
153.00703	1.9
154.93283	1.0
155.94124	0.5
158.01234	0.8
158.04858	1.7
160.06425	1.7
161.01135	0.9
163.03868	4.6
164.04219	0.7
164.06998	0.8
165.00673	1.0
166.06042	0.5
166.07205	7.3
166.08594	1.7
172.94307	15.9
174.97745	0.8
174.99164	3.8
176.93831	0.7
176.98917	1.6
178.07486	0.9
182.08131	0.6
185.01132	0.5
188.05960	0.8
190.95366	38.0
192.98628	1.0
194.94710	0.5
197.01193	0.9
206.07002	0.7
208.94444	1.0
208.96420	18.4
210.04167	0.5
213.00706	0.7
213.96945	1.1
214.95329	13.3
216.96962	1.8
217.98758	0.5
218.94803	0.6
219.01736	0.6
226.97350	0.4
231.98013	1.1
232.96413	100.0
233.96831	0.6
234.97879	0.8
235.02878	0.4
236.95837	0.7
237.00777	0.5
237.06467	0.4
246.98009	0.9
250.97475	69.4
251.97902	1.0
252.97641	0.5
255.98036	5.7
256.96274	0.6
258.97879	0.6
260.95462	0.5
263.00940	0.6
264.98892	0.6
266.97107	0.6
268.98557	0.8
273.99109	3.2
274.97418	1.6
276.99054	0.7
278.95990	1.5
286.02386	0.6
286.97479	0.8
287.96945	1.5
288.98840	0.4
292.98636	0.5
303.00644	0.6
304.03857	0.7
304.98489	1.3
305.98175	0.9
307.00095	0.8
310.08646	0.7
311.15866	0.6
322.99484	0.9
327.99860	0.8
328.03659	11.5
328.13397	0.8
346.04803	65.0
347.05206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.6
55.05503	10.9
56.05026	49.2
57.07059	4.1
60.04533	0.9
65.03932	1.2
67.05495	5.6
68.05006	0.6
69.03403	0.5
69.07057	14.7
69.48252	4.7
70.06560	1.0
71.08625	1.2
71.43169	0.5
72.04510	0.9
73.02915	0.5
74.29893	0.4
77.82944	0.5
79.05487	3.4
80.05003	1.1
81.07040	5.6
82.06573	1.3
83.04971	1.3
83.08608	9.2
84.04490	9.3
85.10165	0.7
85.50831	0.4
86.06053	0.8
88.03993	1.0
91.05470	1.7
93.03492	0.5
93.07037	3.8
95.04956	1.2
95.08588	4.1
96.04477	1.3
96.08086	0.6
97.06527	1.5
97.10149	4.9
98.06041	0.7
98.20947	2.0
98.98449	100.0
100.98911	0.8
107.08588	2.2
108.04498	0.5
109.09303	0.4
109.10112	2.2
110.06035	2.2
111.04454	2.6
111.08051	1.0
111.11717	1.2
114.05486	1.0
116.10702	0.7
116.99473	4.6
121.10157	2.3
122.06001	0.7
123.04288	0.5
124.07517	0.5
126.05508	1.9
135.11693	1.2
138.05486	1.3
138.09926	0.5
140.01062	2.0
174.99202	6.9
175.99548	0.6
176.98856	3.4
209.18965	5.6
238.21756	0.5
252.99702	0.7
264.23090	1.0
265.21585	0.7
292.22684	2.5
310.23758	8.0
328.08685	0.6
328.24780	16.8
328.31763	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96301	0.5
54.03453	0.7
55.01863	8.5
55.05233	0.7
55.05503	10.5
56.05027	49.6
56.16545	0.5
57.07062	4.7
60.04510	1.0
60.26831	0.6
65.03922	1.2
67.05487	5.9
68.05032	0.8
69.03416	0.5
69.07056	14.3
70.02100	3.3
70.07380	0.5
71.08610	1.6
72.04501	1.2
73.02927	1.0
76.00689	0.5
79.05486	3.2
80.04990	1.6
81.07038	4.8
82.06548	1.2
83.04967	1.0
83.08611	8.3
84.04491	8.6
88.83679	0.5
91.05463	1.8
93.07050	3.6
95.08599	3.4
97.06524	2.0
97.10160	4.8
98.06034	1.0
98.21411	0.7
98.98450	100.0
100.03970	0.6
100.98875	0.9
105.07002	0.7
107.04977	0.7
107.08571	1.8
109.10123	2.2
110.05997	2.7
111.04424	2.8
111.08026	0.6
111.11707	1.5
114.05551	0.8
115.07513	0.6
115.79163	0.6
116.10725	0.9
116.99503	2.9
121.10121	2.3
123.04367	1.0
123.11654	0.6
124.07554	0.8
125.05997	0.6
126.05532	1.1
131.04865	0.6
135.11662	1.8
138.05508	1.2
140.01059	1.7
174.99202	8.3
175.03841	0.6
175.99631	0.5
176.98866	3.8
209.18983	4.8
210.19264	0.4
245.34413	0.6
250.99951	0.9
252.99684	0.8
292.22693	2.2
310.23749	8.5
328.24796	17.4
328.32050	2.0
329.24921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
55.05487	1.4
55.31980	0.4
56.05015	1.9
57.03423	0.9
57.07063	0.6
65.03929	0.8
67.05494	4.7
69.03390	0.5
69.07044	1.1
70.06573	0.9
71.04993	2.8
71.70370	0.8
72.08128	0.6
79.05490	2.3
80.05010	2.9
81.03392	0.4
81.07037	2.7
83.04992	0.5
83.08572	0.5
84.08109	1.5
85.06516	0.9
86.06033	0.6
91.05464	1.7
93.07016	2.3
94.06552	2.4
95.08598	2.1
96.08101	1.7
98.98450	34.6
103.05463	0.7
105.06995	1.2
106.06516	1.5
107.07295	1.5
107.08558	1.1
108.08082	1.8
109.10107	1.0
112.07574	1.3
116.99461	0.6
117.07009	0.5
119.08550	0.6
120.08070	1.8
121.08948	0.5
121.10076	0.5
122.09623	0.6
123.04438	0.6
124.07559	0.6
124.11213	1.4
125.86457	0.5
131.08524	0.5
133.06482	0.8
133.10027	0.4
134.06822	0.8
134.09619	0.6
136.11189	0.4
137.05980	2.3
138.06311	1.3
138.09102	0.8
138.12708	0.5
145.06430	0.4
145.10165	0.6
147.04376	1.4
151.07593	0.5
156.10173	0.8
163.07486	1.2
164.07753	0.6
164.14305	0.4
170.09468	0.5
170.11748	0.9
174.12729	0.5
174.99211	2.8
175.03889	1.7
176.04288	1.9
176.98917	1.0
190.15898	0.9
192.13835	1.2
204.17464	0.5
206.05054	0.4
248.20044	0.8
254.21175	0.6
262.21576	1.1
264.23181	1.3
266.21100	0.9
274.21689	2.3
278.20963	1.0
280.22678	2.4
282.24213	2.6
292.22675	5.1
310.23715	11.5
326.62509	0.5
328.09012	2.8
328.24768	100.0
329.06567	2.6
329.10898	0.6
329.25125	2.6
329.28561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05498	11.5
67.05496	2.9
69.03410	1.2
69.07043	2.3
70.06581	0.8
70.21843	2.4
79.05485	5.2
81.07030	3.7
83.04964	1.0
83.08606	8.1
85.56610	0.5
88.16640	0.5
89.57517	0.5
91.05462	2.1
93.07029	2.5
95.08582	1.7
97.10155	12.6
98.98448	100.0
100.98843	0.7
105.07008	4.0
107.08572	15.0
109.06493	1.1
114.09254	0.5
116.99477	3.9
119.08566	1.2
123.04382	4.7
124.11100	0.5
125.09618	13.2
131.04880	1.0
131.08524	0.7
133.10117	1.8
135.08006	1.4
140.01035	1.4
145.10059	1.3
147.11655	1.7
149.05928	0.9
149.09641	0.9
153.09047	1.0
159.11696	0.6
171.10158	1.5
174.99205	8.4
175.99559	0.6
176.98897	2.8
189.11191	17.9
189.12859	1.2
230.52638	0.7
230.81848	0.6
239.17776	0.7
251.00063	0.7
252.99805	1.1
257.18954	1.9
275.20023	11.7
328.24750	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.05499	3.1
56.05031	0.4
56.12034	0.5
57.03415	0.8
57.07066	3.7
60.04510	2.3
67.05497	2.3
68.05017	3.0
69.03419	0.9
69.07063	2.3
70.02216	2.3
70.06575	0.9
71.01341	0.9
71.08614	1.9
72.04516	1.0
79.05473	1.3
80.05000	1.4
81.03381	0.5
81.07044	2.5
82.02914	0.5
83.04958	2.1
83.08613	1.2
84.04485	0.5
84.08121	0.6
85.02898	0.7
86.06041	0.7
91.05487	0.7
93.03386	0.6
93.07039	1.5
94.06554	2.8
95.04959	0.5
95.08585	1.4
96.04453	1.8
96.08137	0.9
97.10211	0.4
98.98454	66.4
103.05501	0.5
106.06552	1.1
107.04958	0.4
107.07302	1.6
107.08564	0.8
108.08102	0.6
109.05254	0.6
109.10171	0.6
110.06006	2.5
111.04432	1.9
116.98689	0.5
116.99490	1.6
119.08569	0.7
120.08060	0.7
121.10122	0.6
122.06012	1.2
123.04435	1.3
123.06746	1.0
127.69798	0.4
133.10112	0.5
134.06041	0.5
136.07556	0.9
137.05956	0.4
140.01038	1.1
154.81502	0.4
174.99190	5.8
176.98891	2.3
195.45512	0.5
198.22192	0.4
208.20605	0.6
222.22169	5.7
224.20042	1.1
226.21620	21.7
228.75682	0.4
230.13831	1.3
232.96434	0.5
234.22145	8.5
236.20087	2.3
236.23672	3.5
238.21581	0.6
246.22169	1.3
248.23605	0.9
250.21579	3.5
251.00023	0.6
251.19977	2.5
252.23235	1.2
262.21698	2.2
264.23212	9.3
274.21545	0.9
280.22678	2.0
282.21228	0.8
282.24222	7.1
292.22601	4.5
293.21017	0.6
310.23724	35.6
328.24774	100.0
329.21417	0.6
329.25040	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	328.2477
Annotation	10-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
53.03931	0.4
55.05501	1.9
56.05019	0.4
57.07064	2.6
60.04521	1.6
67.05504	2.1
67.05782	0.3
67.27415	0.3
68.00317	0.3
68.05007	1.4
69.03416	0.8
69.07044	1.4
69.25034	0.3
69.87065	1.9
70.06566	0.5
71.08616	1.1
79.05462	0.9
80.04977	0.7
81.03427	0.4
81.07038	1.7
83.04970	1.7
83.08588	0.8
84.04475	0.4
84.08121	0.5
85.02869	0.6
85.10174	0.5
86.06060	0.5
91.05478	0.5
93.05756	0.6
93.07015	1.4
94.06559	4.9
95.04951	0.5
95.08566	1.2
96.04464	1.1
96.08123	0.5
97.06490	0.4
97.10162	0.4
98.20801	0.4
98.98451	30.3
103.05437	0.4
106.06512	0.9
107.04935	0.4
107.07329	0.6
107.08569	0.4
108.08136	0.7
109.05232	0.9
109.06457	0.5
109.10136	0.5
110.06032	3.4
111.04405	0.8
112.07562	0.5
115.03898	0.4
116.99456	0.8
117.07022	0.4
120.08061	0.7
121.05253	0.5
121.06435	0.3
122.06002	1.7
123.04421	3.8
123.06773	1.1
124.07539	0.8
126.05519	0.4
131.04929	0.6
136.07545	1.1
139.06310	0.4
140.01056	0.5
147.11630	0.5
149.05956	0.6
152.07024	1.1
174.99214	2.4
176.98901	1.2
193.69679	0.3
207.88741	0.4
222.22105	1.8
223.20506	0.7
224.20071	1.7
226.21649	3.5
230.13873	1.3
234.22124	6.3
236.19995	0.5
236.23686	3.7
246.22116	1.2
250.21628	2.7
251.00053	0.4
251.20056	0.8
252.23230	0.8
262.21606	7.8
264.23172	11.6
274.21579	1.2
279.21869	1.1
280.22708	2.9
282.24225	5.4
284.23700	0.4
292.22662	4.2
310.23712	14.0
311.24139	0.6
322.32657	0.3
328.24756	100.0
329.25092	2.9
333.91821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0649
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
54.60165	0.4
55.01844	0.4
55.05494	0.3
65.03938	0.6
66.06419	0.3
67.05486	1.1
68.99777	3.8
69.03404	0.5
69.07063	0.5
70.82019	0.4
70.82392	1.0
79.05487	0.8
81.03390	0.5
81.07034	0.8
85.02905	0.3
85.78867	0.3
91.05460	0.8
93.07038	0.8
95.04951	0.6
98.98446	95.1
100.98841	0.9
101.02368	1.0
103.05434	0.7
105.07014	1.2
107.04939	0.8
107.08545	0.4
109.10114	0.7
111.00752	0.5
111.04398	0.3
111.08032	0.3
116.99480	3.5
117.06981	0.6
120.31993	0.3
121.02842	1.2
121.06422	0.5
123.04387	2.6
129.06013	0.4
129.06987	0.6
131.04910	1.0
133.02850	0.6
133.10078	0.5
135.04289	0.4
136.07426	0.3
137.05978	0.5
137.09688	0.5
139.03859	0.6
140.01050	1.0
143.08543	1.2
145.06453	0.7
145.10109	1.2
147.04395	1.4
147.85968	0.4
151.03955	0.5
155.04895	4.0
157.06473	0.4
161.05919	0.7
163.03943	0.5
163.07425	0.4
167.03360	1.4
167.04909	1.2
169.10123	0.4
171.04379	0.8
171.07948	0.4
173.05952	1.6
174.99181	7.0
175.03841	0.9
175.07613	0.4
176.04628	0.5
176.98846	3.2
179.03326	0.4
181.06401	0.4
183.04411	3.1
185.05910	1.4
188.04718	0.5
189.01778	0.5
189.05455	0.7
189.09119	0.6
195.04373	1.0
197.05939	0.5
199.03847	1.3
200.04596	0.7
201.05402	2.9
203.03316	4.5
203.06976	0.6
206.04451	0.6
207.02899	0.4
212.04575	0.5
213.05396	2.5
216.04121	0.7
218.05710	1.0
220.03607	1.1
227.03348	0.7
227.07016	1.1
228.04147	0.5
229.04845	1.1
231.06473	1.3
233.07968	0.7
237.05284	0.5
237.12663	0.8
240.04124	0.7
241.04947	1.4
244.03528	0.6
245.07919	0.5
250.99983	0.4
252.99663	1.3
255.06465	1.2
257.04449	0.9
258.05203	1.0
259.06046	3.9
265.12216	0.6
268.03641	0.9
269.04282	1.0
269.08612	0.4
271.05923	0.7
273.07565	1.5
282.05017	0.4
283.05927	0.9
283.13251	1.4
285.03906	5.0
286.04660	5.0
287.05563	0.4
297.03882	0.7
301.06998	3.8
311.09296	0.5
311.12836	1.2
311.23907	0.5
313.03372	19.2
314.04120	18.8
315.04587	1.0
315.08572	1.1
328.24814	0.5
329.06491	100.0
329.24924	3.6
330.06946	6.5
330.10696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0649
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
68.99402	0.3
68.99780	4.7
69.03428	0.2
69.71019	0.9
69.71448	0.8
88.29503	0.2
88.92625	0.2
95.04949	0.2
98.98450	8.7
99.46899	0.3
101.02339	0.8
103.05472	0.3
105.03439	0.2
107.04918	0.5
107.08546	0.2
107.50447	0.3
111.00809	0.4
116.99510	0.4
121.02887	0.3
123.04396	1.3
124.32617	0.2
131.04898	0.4
135.04364	0.4
137.02359	0.2
141.07010	0.2
147.04395	1.0
153.01819	0.3
155.04897	4.3
157.06387	0.3
161.02336	0.7
161.06012	0.2
163.03841	0.3
167.03394	1.4
167.04922	0.9
171.04382	0.6
173.05989	0.8
174.03085	0.5
174.99245	0.6
175.03867	0.5
176.04689	0.6
176.98964	0.3
183.04395	3.2
184.04993	0.3
185.05971	0.9
188.04707	0.5
189.01772	0.5
192.34663	0.2
195.04344	1.1
197.05956	0.3
199.03889	1.3
200.04655	0.3
201.05432	3.4
202.02617	1.4
203.03343	4.0
203.07030	0.6
204.03673	0.3
207.02829	0.3
212.04666	0.4
213.05408	2.7
216.04044	0.3
218.05725	1.2
220.03635	1.1
223.03862	0.7
227.03345	0.4
227.07007	0.7
229.04890	0.6
230.05650	0.3
231.06378	1.1
233.08031	0.9
241.04967	1.0
241.57593	0.2
244.03624	0.6
245.08020	0.5
251.03279	0.5
255.06592	0.6
257.04584	0.3
258.05185	0.6
259.05991	3.9
268.03693	0.7
269.04352	1.5
273.07611	1.0
283.05920	0.8
285.03882	5.2
286.04669	4.8
287.05234	0.5
296.03033	0.4
297.03903	0.4
301.07007	0.6
313.03375	16.9
314.04132	17.7
315.04462	0.9
329.06503	100.0
329.25021	1.1
330.06808	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	329.1015
Annotation	6-Hydroxy-2-(4-methoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
52.68728	0.5
55.05511	0.6
56.96535	0.5
67.05495	0.9
69.07072	0.6
69.58192	3.2
69.58600	1.3
71.83852	0.5
81.07062	0.7
98.20737	1.0
98.98452	89.5
100.98884	0.6
116.99507	2.8
117.06998	0.5
121.06460	0.5
123.04431	1.1
129.06978	0.6
131.04929	0.5
140.01076	1.1
141.07002	1.5
145.06461	0.8
145.10075	0.6
159.04413	0.8
159.08167	0.6
168.05746	0.7
169.06448	3.0
173.06064	0.7
174.99228	6.4
176.98914	2.8
181.06415	1.2
183.04416	0.7
187.03850	1.8
192.64085	0.5
197.05971	5.0
198.06688	0.5
200.04611	1.5
201.05453	0.8
209.05885	1.2
210.03127	0.9
211.03906	1.0
212.08321	1.3
213.05446	1.9
214.06139	1.0
215.06998	7.3
223.04053	0.6
225.05421	5.2
226.06232	1.6
227.03366	1.3
227.06975	1.8
228.04102	1.6
229.04967	0.6
237.05331	2.1
238.02522	0.7
239.03383	1.8
240.04166	1.1
240.07759	0.7
241.04790	2.7
241.08635	1.3
242.05623	0.8
243.06508	11.7
248.06354	0.6
251.03519	0.6
252.99655	0.6
253.04996	3.9
254.05663	1.9
255.06589	0.6
256.03580	1.2
257.07974	2.4
258.08810	1.2
259.97589	0.6
265.04938	3.0
267.02856	0.7
267.08948	0.7
268.03885	0.6
268.07150	0.9
269.04404	1.2
269.08072	1.2
271.05969	44.8
281.04236	0.6
283.05954	8.1
284.06726	1.9
285.07501	2.3
285.10028	1.3
286.08096	2.6
289.06937	2.7
296.06766	0.9
297.07562	9.6
298.08319	8.4
299.05453	9.3
314.07791	71.3
315.08093	2.0
329.10144	100.0
330.10342	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1377
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
51.56280	0.4
53.03941	0.8
55.01851	1.9
55.05495	1.0
65.03917	1.9
67.05489	2.2
69.03413	1.9
69.07055	0.7
70.02259	2.2
79.05484	4.6
81.03403	5.8
81.07025	1.9
91.05464	9.6
93.03368	3.2
93.07011	2.7
95.04946	3.3
95.08612	0.8
98.98449	100.0
100.98868	0.6
103.05447	1.0
105.07010	16.0
105.07722	0.9
107.04940	1.8
107.08568	1.0
109.06461	0.7
109.10148	0.6
109.75447	0.5
115.05453	1.7
116.99490	2.6
117.06988	8.3
119.04925	0.8
119.08565	1.2
121.02842	18.8
121.06499	2.6
123.04413	2.8
126.36572	0.5
127.57729	0.5
128.06195	3.3
129.06979	4.9
130.07762	1.8
131.04863	2.3
131.08566	2.9
133.06467	1.1
133.10098	0.8
135.04439	0.8
137.73256	0.6
140.01056	1.1
141.06979	2.2
142.07726	1.0
143.08537	31.3
145.06468	5.4
145.10100	33.5
146.07242	1.1
147.04404	4.5
147.08017	1.8
147.11649	6.1
153.07010	1.6
154.07729	2.2
155.08492	3.6
157.06505	1.1
157.10139	1.5
157.41737	0.5
159.08011	0.9
161.04681	0.3
161.05937	10.3
161.09596	1.1
165.06969	2.0
166.07739	1.5
167.08556	2.5
168.09280	0.8
169.06477	1.9
169.10100	10.1
171.04407	1.2
171.08055	3.2
171.11662	1.0
173.06020	1.6
174.06764	0.6
174.99185	6.7
176.50632	0.5
176.98892	3.6
178.07780	0.9
179.08496	3.6
180.09331	0.8
181.06485	2.1
181.10094	4.4
182.07254	0.8
183.08047	2.1
183.11595	1.0
183.97305	0.5
185.05920	0.8
185.09546	0.7
187.07443	0.7
189.09073	5.7
191.08554	1.1
191.10587	0.9
193.10054	2.8
194.07332	0.9
194.10883	1.8
195.08015	3.6
195.11618	2.3
196.08844	1.2
197.06017	0.9
197.09595	1.8
199.11124	0.6
201.05402	0.6
202.07794	0.6
203.08484	1.4
204.09294	2.8
205.10057	0.7
207.08057	0.8
207.11714	0.8
208.08797	0.8
209.06107	0.7
209.09615	2.6
209.13194	5.1
211.07515	1.1
211.11137	2.5
215.10666	2.1
217.08636	0.7
219.11644	5.3
221.09625	3.0
222.10423	1.8
223.07518	0.6
223.11197	2.1
225.05453	1.1
229.10094	0.9
232.08745	0.5
237.05714	0.6
237.12715	24.8
238.13152	1.1
239.10695	0.7
239.14246	0.9
240.07805	1.9
247.11098	3.0
249.12753	0.8
251.10501	0.7
252.99765	1.1
253.04930	1.2
255.09967	0.5
265.12180	16.7
266.12509	0.9
267.13870	1.0
268.07260	10.0
269.07428	0.6
271.06195	0.6
283.13242	26.9
284.13550	1.2
285.07452	1.1
285.14740	0.6
293.11716	2.0
295.06030	1.8
296.06760	3.1
297.07465	0.9
299.05762	0.8
300.06274	0.8
311.12756	22.0
312.13107	0.7
313.06888	2.8
314.07843	2.2
329.10156	20.8
329.13876	17.1
329.28177	0.7
330.10516	1.2
330.14090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01853	1.1
55.05494	0.7
56.05019	1.3
56.96557	8.0
57.03418	0.8
58.06566	0.4
61.02918	0.4
67.05479	1.1
67.70953	0.3
68.56541	0.3
68.99770	0.7
69.03407	0.8
69.07065	0.6
70.06586	1.9
70.98100	0.6
71.42660	0.8
71.43002	0.4
72.08138	0.8
73.02931	0.5
74.93164	0.4
79.05495	0.9
81.03403	0.6
81.07037	2.2
82.06582	0.5
83.04971	0.5
83.08599	0.6
84.04470	0.8
84.08120	1.2
84.96006	0.4
85.02889	1.9
85.07656	11.2
86.09698	0.6
88.99183	0.4
89.03883	0.4
91.05451	0.7
93.07000	0.7
95.04965	0.7
95.08607	0.4
96.08138	0.6
97.02885	0.8
97.06464	0.4
98.98450	100.0
100.98885	0.8
107.04934	0.9
108.08073	0.6
109.02829	0.4
109.06502	0.9
111.04417	1.0
112.11228	6.8
116.98607	2.3
116.99490	4.1
117.03374	0.6
119.01912	0.5
119.04944	0.4
121.06516	0.7
121.07682	0.4
122.06002	0.6
123.04408	3.1
124.03922	0.9
127.03872	1.6
128.98572	0.5
130.93237	1.9
131.00163	0.7
134.99628	2.2
135.04402	1.5
136.07567	0.6
137.09656	0.8
138.12775	0.4
139.03889	4.5
139.07532	0.8
140.01076	0.9
143.00174	0.9
146.99603	1.2
147.04381	0.4
148.07564	0.4
148.94316	0.9
149.01190	0.6
150.05473	3.7
151.03807	0.6
152.06987	0.5
154.14641	0.4
155.15417	3.1
161.01210	0.9
163.03896	4.7
163.05183	0.5
164.07051	0.6
165.00719	0.6
165.09105	0.4
166.02739	0.4
166.08617	0.4
167.08209	0.4
168.06534	2.9
172.94183	1.6
174.97830	0.3
174.99196	8.2
176.98923	3.8
177.00421	0.5
179.00153	0.6
179.05614	1.0
180.06581	0.4
180.12630	0.5
181.01752	0.5
181.08586	1.4
181.13326	0.8
182.08142	0.4
184.00356	0.7
184.09613	0.7
185.01268	0.8
186.99149	0.5
189.00735	0.6
190.95354	5.2
190.98651	0.8
192.06575	0.4
193.00182	0.8
193.01755	0.6
193.08600	0.8
194.94765	0.5
195.60571	0.4
197.01180	2.2
197.02814	0.5
199.02614	0.4
199.09608	1.0
201.00690	0.7
203.02274	0.4
208.88408	0.5
208.96434	2.9
208.99496	0.5
209.01309	0.5
210.13680	0.5
212.98302	0.5
213.00522	0.5
213.97032	0.5
215.02235	0.7
216.96849	0.6
222.11218	2.5
226.89499	0.9
227.02318	0.9
229.04861	0.4
230.94975	0.8
230.98569	0.4
232.94551	0.4
232.96423	2.3
233.02858	0.8
233.97142	0.4
237.00613	1.3
237.02783	0.7
242.03291	1.2
243.01790	0.5
245.00174	0.6
246.97769	0.4
247.05980	2.7
247.14397	0.7
248.95996	2.1
248.98299	0.3
250.97459	1.1
250.99988	0.4
251.03824	0.8
251.98119	0.5
252.99745	0.8
255.01738	1.1
255.04161	0.6
257.04388	0.7
258.97983	0.8
265.15488	0.7
266.97064	1.0
268.11667	0.4
271.97488	0.5
274.97617	1.2
288.99136	1.1
292.98492	0.4
293.14893	5.5
294.13394	1.5
298.23862	0.4
302.70276	0.4
302.97092	0.6
303.00693	0.9
304.98175	0.5
307.00000	0.6
311.15930	9.6
321.01941	0.6
322.99857	0.4
329.14276	1.3
330.11716	1.1
346.99960	0.7
347.05008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
57.03427	0.7
59.04966	0.3
68.99793	0.4
69.01874	0.4
69.03428	0.6
69.76399	0.9
69.76801	2.0
71.04969	0.7
73.02909	0.4
78.03444	5.0
80.05000	3.1
83.01329	1.4
84.86781	0.3
85.02905	1.7
87.00829	0.5
87.04462	0.4
92.67702	0.3
96.04482	4.0
98.20714	0.7
98.98452	17.3
100.98828	0.4
101.02357	0.8
106.02901	33.2
106.06533	0.6
107.03256	0.3
107.04946	0.5
111.00794	0.6
111.03191	0.4
115.03895	0.4
116.99483	0.8
119.04857	0.3
122.06026	0.6
123.04425	4.2
124.03934	100.0
125.04259	1.2
127.03892	0.6
129.01785	0.6
135.04387	0.5
138.05452	1.9
139.03873	2.8
143.03377	1.5
147.04425	0.9
150.05475	3.3
151.03899	1.3
157.01303	0.4
162.05476	1.2
163.03856	0.6
164.07051	0.4
166.05032	1.8
168.06531	4.6
171.02853	0.9
174.99234	0.8
176.98854	0.8
178.04965	1.7
180.06409	0.3
189.03873	1.3
196.06139	0.6
199.61615	0.4
252.05035	0.9
270.05972	1.5
294.06036	21.8
295.06451	0.8
303.08398	0.5
312.07092	10.3
313.07303	0.4
330.08133	18.5
331.08441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2631
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
55.05505	3.8
56.05032	1.6
57.03411	1.1
57.07051	1.0
58.06589	0.5
59.04976	0.7
65.03920	0.9
65.35300	0.3
67.05486	6.7
68.05008	1.7
68.99783	0.3
69.03387	0.4
69.07044	2.1
69.34563	3.4
69.34961	0.4
70.06562	1.6
71.04961	1.0
72.61736	0.3
73.06524	0.3
79.05482	2.3
80.05009	2.0
81.07040	4.1
82.06570	2.2
83.04967	0.4
83.08595	1.0
83.32771	0.3
84.08115	1.8
85.06493	0.6
91.05444	1.7
93.05759	0.7
93.07029	1.9
93.23693	0.3
94.06545	1.9
95.08588	3.4
96.08112	2.2
98.97817	0.4
98.98453	5.6
105.07014	1.1
106.06567	0.6
107.07327	1.9
107.08558	0.9
108.08125	2.0
109.10127	1.2
110.09655	1.1
112.07566	0.7
119.08554	0.8
120.08083	2.7
121.10142	0.6
122.09614	0.6
133.10132	0.5
134.09622	1.2
136.11163	0.8
138.09128	0.5
148.11153	0.6
150.12825	0.4
153.39221	0.4
156.10217	0.3
161.40094	0.3
174.06303	0.4
174.99222	0.4
202.05801	0.7
203.03459	0.3
204.03822	0.6
204.17513	0.3
210.18533	0.6
214.05565	0.6
220.17030	0.4
238.21577	0.9
239.99641	0.3
248.23663	0.5
250.21539	2.4
252.19594	0.3
258.22073	0.8
260.06247	0.8
262.21631	1.6
264.23129	2.2
266.21280	0.3
266.24802	1.8
270.20444	0.3
276.20041	0.5
276.23169	8.9
282.24286	0.3
286.04361	0.4
294.24219	12.0
295.24408	0.5
312.25259	13.7
313.03333	0.4
313.25610	1.1
314.03601	1.6
315.04416	1.2
316.05795	0.5
330.06830	9.8
330.26312	100.0
331.07397	1.5
331.26639	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	330.2632
Annotation	4,8 dimethylnonanoyl carnitine
Peak:m/z	Relative Intensity
52.12055	0.3
55.01864	0.5
55.05505	4.1
56.05039	1.7
57.03413	1.3
57.06838	0.4
57.07069	4.4
58.02962	1.9
60.04517	2.1
61.75958	0.3
67.05498	2.8
68.05012	1.0
69.03434	0.6
69.07059	3.9
70.06578	1.2
70.17948	1.8
71.01328	0.6
71.04962	0.5
71.08613	1.6
72.04517	1.9
73.02891	1.4
73.05280	0.6
74.06057	1.4
76.04002	0.8
77.94404	0.4
79.05476	1.0
80.05000	1.4
81.07035	2.1
82.06557	1.1
83.04995	0.4
83.08587	1.6
84.04514	1.8
84.08115	0.9
85.02887	0.7
85.10158	0.8
91.05482	0.6
93.07036	0.5
94.06539	1.3
95.04956	0.5
95.08575	1.8
96.04469	2.3
96.08135	0.5
97.10136	0.6
98.06041	1.1
98.21413	0.4
98.98452	15.6
100.03955	1.0
102.05520	0.5
105.07023	0.4
107.08573	0.6
109.05221	0.5
109.10114	0.8
110.06016	0.7
112.03976	0.5
112.07570	0.5
114.05513	0.6
116.99481	0.6
119.36189	0.4
121.10085	0.5
123.08022	0.4
126.05577	0.5
158.08131	0.7
174.99332	0.5
176.98921	0.7
189.73483	0.4
197.72339	0.3
210.22104	0.6
228.23402	0.4
238.25339	0.6
252.23183	2.9
254.24872	0.9
256.26373	1.6
264.23233	0.6
266.24783	1.9
268.22757	0.9
278.24692	0.4
282.24197	1.5
284.25760	0.6
287.58783	0.4
294.24353	0.8
312.25146	1.3
330.26340	100.0
331.08112	0.6
331.26721	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2632
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
53.03931	1.1
53.66495	0.4
54.03461	1.8
55.01869	2.3
55.05502	9.1
56.05026	100.0
57.03438	0.6
57.05359	1.0
57.07064	18.9
57.07350	1.0
58.02966	0.8
58.06586	1.3
60.04510	1.8
67.05494	10.9
68.05013	1.5
69.07059	10.5
69.53028	0.4
69.53346	4.4
70.02946	2.7
70.06582	1.8
71.01313	0.5
71.04989	1.6
71.08618	12.4
72.04506	2.7
74.06069	0.7
76.04001	0.8
79.05478	4.2
80.04993	1.0
81.03410	2.0
81.07040	10.7
82.06552	1.3
83.04974	1.2
83.08599	5.5
84.04490	23.8
84.08128	1.0
84.41934	0.5
85.02901	0.9
85.05278	1.4
85.10167	5.5
86.06055	4.9
91.05455	2.3
93.07027	2.7
94.06559	1.5
95.04963	1.5
95.08588	12.4
96.04481	0.8
96.08917	0.5
97.06524	0.7
97.10161	3.4
98.06028	2.9
98.98454	12.2
99.04441	8.9
100.03940	0.7
102.05547	3.0
105.07018	1.4
107.08593	1.2
108.08089	1.0
109.06519	0.9
109.10132	5.3
110.06007	2.6
111.11694	1.0
112.03967	0.6
112.07618	1.0
114.05528	1.1
119.08533	0.9
121.10123	1.2
121.44826	0.5
122.09631	0.7
122.18027	0.4
123.08070	0.8
123.11700	1.6
124.07683	0.5
126.05511	2.2
128.07043	0.7
133.10069	0.5
135.11696	1.1
137.13260	0.5
156.32082	0.5
158.45447	0.4
174.99234	0.7
176.98923	0.8
180.57552	0.4
211.20549	1.3
231.20935	0.6
236.23679	0.5
238.25211	1.0
248.23804	1.1
249.22115	1.2
253.21667	1.1
264.23114	0.6
266.24762	7.4
267.22928	0.9
274.41580	0.4
276.23102	1.1
282.24115	0.9
284.25742	3.4
294.24222	9.7
312.25275	50.7
313.25592	2.4
330.26340	41.5
331.26682	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	330.2634
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
53.03928	0.4
55.05272	0.3
55.05505	2.3
56.05039	1.9
57.03167	0.5
57.03428	5.6
57.07058	0.5
58.06570	0.5
60.04518	18.6
67.05493	3.9
68.05019	3.9
69.03445	0.6
69.07062	2.1
69.52821	1.6
69.53246	1.1
70.06584	2.1
71.04982	0.4
71.70049	0.3
72.04501	2.7
74.06055	0.4
79.05467	1.2
80.05013	2.2
81.07044	4.3
82.06564	2.5
83.08599	0.9
84.04483	0.8
84.08107	1.0
85.06509	1.5
86.06026	0.5
87.04488	0.4
87.68671	0.3
90.05524	1.5
90.72070	0.3
91.05433	0.9
93.05756	0.4
93.07034	2.1
94.06554	15.4
95.04981	0.4
95.08579	4.2
95.90255	0.3
96.08149	0.5
97.10136	0.5
98.06019	1.6
98.98456	10.5
102.05579	0.3
105.07034	0.5
107.08585	1.2
108.08089	1.0
109.10172	1.9
116.07059	0.5
116.99556	0.3
119.08600	0.5
121.10116	0.9
123.04359	0.4
123.11681	0.5
129.92401	0.4
133.10121	0.4
135.11693	0.6
147.81163	0.3
167.63835	0.4
176.98895	0.6
199.76067	0.4
220.20518	0.5
226.21638	5.4
238.21645	2.8
252.23260	1.9
256.22717	1.4
264.23151	6.6
266.24673	2.5
268.22568	0.4
276.23193	9.3
277.23608	0.5
284.25766	0.5
287.05682	0.3
294.24258	5.6
312.25256	7.7
330.26340	100.0
331.08124	2.0
331.26627	4.0
334.46805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
52.63030	0.4
53.03946	0.5
55.05511	3.2
56.05034	2.2
56.96542	0.5
57.03425	0.5
57.07059	0.5
58.06568	0.4
60.04520	17.1
62.06074	0.7
65.03919	0.5
66.42200	0.4
67.05495	4.5
68.05029	4.1
69.03403	1.8
69.07055	2.0
69.76984	2.5
70.06573	2.2
71.04982	2.3
72.04520	2.2
77.20387	0.4
79.05466	1.9
80.04996	0.8
81.03385	0.6
81.07047	6.5
82.06556	1.7
82.07354	0.5
83.08599	2.4
84.04475	0.7
84.08125	1.2
85.02877	1.1
85.06535	0.6
86.06055	1.0
90.05532	1.5
91.05461	1.4
93.05828	0.5
93.07036	2.6
94.05969	0.9
94.06555	15.4
95.04971	0.4
95.08587	4.9
96.08089	0.5
97.02879	0.5
97.10160	0.8
97.63189	0.4
98.06036	1.6
98.98454	26.5
100.98893	0.5
102.05526	0.5
105.06993	1.1
107.08570	1.4
108.08069	1.1
109.10142	3.3
113.92721	0.4
115.03941	0.5
116.07078	0.5
119.08571	0.8
121.10089	1.1
123.11699	0.8
127.03796	0.5
133.04909	0.7
133.10100	0.9
135.11667	1.0
137.09686	0.5
145.10068	0.4
147.11671	0.6
148.14334	0.4
152.06204	0.9
159.11684	0.6
167.03380	1.0
174.07745	0.4
174.99179	0.9
176.07819	0.4
176.98892	1.3
180.05623	0.7
185.05988	0.6
196.05165	0.6
197.06093	0.5
208.05168	14.0
209.05646	1.2
211.03902	0.9
212.04721	0.5
213.05495	0.6
222.03105	0.6
224.04646	0.7
225.05402	0.4
226.06183	0.5
226.21642	4.5
227.06973	0.8
228.53104	0.5
236.04581	2.8
238.21649	2.0
240.04167	2.1
250.21593	0.6
252.23192	2.7
254.05678	4.1
255.06253	0.5
256.22711	1.5
257.04395	2.0
259.05914	0.5
264.23199	6.6
266.24780	3.1
268.03653	1.0
269.08063	10.5
270.05197	1.2
270.08191	0.9
271.05981	1.2
271.09460	0.8
272.06717	1.9
276.23178	9.5
277.23560	0.5
282.05200	1.6
282.24234	0.6
284.25662	0.7
287.05679	0.6
287.09125	1.4
294.24252	6.5
298.04736	0.9
300.06323	1.3
301.07083	1.3
312.25250	8.3
315.05249	1.0
315.08566	22.4
316.05664	1.4
316.09064	2.4
330.07132	0.7
330.10941	19.9
330.26355	100.0
331.08069	8.5
331.11542	1.9
331.26743	4.3
339.54276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2996
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
53.03931	1.8
54.47122	1.8
55.05272	2.8
55.05503	32.9
57.07063	15.2
60.04229	3.6
60.04515	52.6
65.03917	2.5
67.05495	78.6
69.07055	38.8
70.06590	11.8
70.74806	6.1
71.08611	9.8
72.04485	2.7
79.05463	6.4
81.07045	87.3
83.08608	24.6
84.04483	1.8
85.10160	4.5
88.03963	3.1
93.07008	2.2
95.08588	74.4
97.10155	20.2
98.06049	3.4
98.98454	48.5
109.10134	33.9
111.11693	5.0
121.67152	2.0
123.11714	12.2
124.24174	1.9
125.13210	2.3
137.13162	3.0
176.98897	3.4
238.18353	1.9
249.25771	5.8
254.28500	4.7
266.28476	12.1
282.28220	2.5
284.29419	40.2
294.27878	31.5
302.04858	2.2
302.30542	2.9
312.28949	100.0
312.32498	7.1
330.33524	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	330.336
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
50.12963	0.6
55.05508	8.6
56.05029	3.1
57.07068	11.1
58.06600	1.4
60.04516	100.0
63.96399	0.8
65.03909	0.7
67.05496	15.0
67.05848	1.2
69.07062	10.3
69.10818	0.8
70.06584	7.3
71.04996	1.5
71.08633	4.7
74.06049	0.9
77.49567	0.8
79.05495	1.2
81.07047	16.4
83.08609	7.5
85.10172	2.3
85.20363	0.7
88.07632	4.8
88.12434	0.7
90.44418	0.8
93.07037	1.2
95.08594	17.2
97.10151	5.1
98.20663	1.6
98.98457	11.7
102.09161	1.4
106.08661	2.4
109.10149	6.4
111.11702	2.1
123.11704	2.5
149.34962	0.9
235.81734	0.7
268.30005	2.6
282.31497	12.7
294.31509	8.9
297.55521	0.7
307.08084	0.8
312.32571	72.2
313.33002	4.2
330.33618	54.7
331.33951	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0803
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
71.15111	1.5
85.28079	0.5
102.34167	0.6
130.07689	0.7
137.02324	1.7
140.06192	0.9
153.49916	0.6
157.06389	0.9
158.07304	3.2
168.05658	1.7
185.05978	1.8
186.06734	5.5
196.05177	2.3
197.06041	1.5
203.03392	1.5
213.05406	4.7
214.06197	3.9
224.04648	1.9
225.05467	1.6
227.03389	0.8
241.04990	1.7
242.05681	5.2
252.04030	1.1
253.04924	1.8
269.04474	1.4
270.05185	36.9
275.73615	0.8
281.04349	1.3
285.03879	1.2
286.04501	1.4
287.05487	4.7
297.03845	6.5
298.04630	12.9
299.05511	3.6
302.04086	2.2
315.04932	15.9
316.05664	9.2
331.08060	100.0
332.08456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0806
Annotation	Dillenetin
Peak:m/z	Relative Intensity
55.05487	0.6
55.29325	0.3
57.03402	0.3
67.05482	0.6
68.76140	0.3
68.99772	0.4
71.43365	0.5
72.22976	0.3
78.04689	0.3
79.05441	0.6
81.03388	0.4
81.07011	0.7
85.56808	0.3
89.57690	0.3
91.05430	0.6
93.07027	0.4
95.08566	0.6
98.20705	0.3
98.98449	25.5
100.98889	0.4
103.21823	0.3
105.06985	0.9
107.08541	0.3
109.02827	0.5
109.06494	0.4
116.99442	0.8
117.06973	0.6
119.08553	0.7
121.04921	0.3
121.06466	0.4
124.05178	0.6
131.08484	0.4
133.10120	0.5
134.03685	0.5
135.04440	0.3
137.02290	0.4
137.05952	0.4
143.08467	0.4
145.10062	1.0
147.04332	0.4
151.03821	1.2
153.01790	1.9
157.10100	0.6
159.07869	0.3
159.11635	0.8
161.05829	0.4
164.10797	0.3
174.99170	1.1
175.11076	0.3
176.98885	1.8
187.03812	0.4
189.05417	1.2
199.04083	0.3
213.05380	0.7
217.04921	7.6
228.04134	1.3
229.04955	0.7
230.05598	0.6
242.05635	0.5
243.06438	0.6
245.04401	14.1
252.99582	0.4
257.04379	1.2
258.05096	0.4
259.05814	0.4
269.04456	0.7
270.05237	1.5
271.05814	0.3
273.03897	14.0
285.03860	1.0
286.04599	0.6
287.05417	3.0
288.06183	2.5
297.03912	0.6
298.04715	0.6
299.05457	0.7
300.02686	2.5
301.03366	27.6
302.03781	1.3
315.04938	15.0
316.05719	60.3
317.06097	1.9
331.08057	100.0
332.08423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0804
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
52.88644	0.1
53.03937	0.2
53.05534	0.1
55.05489	0.2
56.96517	0.2
57.80333	0.1
60.04477	0.5
65.03899	0.6
67.05450	0.6
69.03381	0.4
69.07032	0.4
71.04929	0.2
71.10060	0.1
71.35929	0.1
71.67835	0.2
71.68239	0.2
73.29268	0.1
79.05450	0.5
81.03370	0.3
81.06998	0.7
83.04921	0.2
83.08604	0.2
83.17924	0.1
84.04460	0.2
85.06522	0.3
91.05436	0.4
92.02612	2.1
93.03393	1.8
93.06982	0.5
94.04108	0.2
94.06499	0.3
94.81821	0.2
95.04913	0.5
95.08548	0.5
97.02834	0.3
98.98450	19.2
100.98830	0.5
105.07030	0.8
107.08556	0.5
109.02842	0.2
109.06445	0.2
109.10139	0.2
111.04388	0.7
116.99435	0.5
119.08556	0.5
121.02065	0.2
121.02840	1.6
121.06464	0.4
121.10072	0.4
123.04379	0.5
123.08002	0.2
125.02302	0.3
131.08481	0.3
133.02791	0.2
133.10075	0.2
135.04369	0.2
135.07941	0.2
135.11586	0.3
137.02271	0.2
137.05977	1.0
138.03050	0.3
139.03874	0.4
140.04660	2.1
141.05438	0.2
143.08536	0.3
145.10057	0.4
147.04373	0.3
149.02235	0.2
149.09665	0.2
150.03061	0.2
151.03871	1.9
153.05405	0.6
155.04944	0.2
161.05885	0.2
161.09648	0.2
163.03870	0.4
167.03372	19.2
168.03696	0.2
173.09613	0.2
173.13248	0.2
174.99159	0.7
175.03874	0.4
176.98917	1.4
177.05458	0.3
179.03343	0.8
180.04147	0.4
183.04388	0.4
184.03586	0.4
185.05975	0.2
187.07446	0.2
193.04852	0.5
200.04634	0.4
203.06950	0.2
206.05728	0.2
212.04634	0.2
213.05396	0.5
214.06233	0.7
215.07004	1.4
217.04942	2.4
218.05614	0.2
218.60884	0.2
227.03317	0.7
231.06479	3.9
232.07217	1.5
233.04410	0.7
242.05705	2.8
243.06470	4.8
243.10179	0.3
244.06969	0.3
245.04442	1.9
252.99748	0.2
255.06525	0.2
256.03568	0.2
257.04294	0.2
257.07962	0.2
257.11841	0.2
259.05994	4.6
260.06754	3.1
264.23166	0.2
265.23517	0.3
270.05145	1.7
271.05859	2.4
271.09344	0.2
273.03848	0.8
274.04681	0.6
275.09079	0.5
276.94052	0.2
285.07568	0.7
287.05432	3.7
288.06241	7.2
297.03961	0.3
298.04666	1.3
299.05453	4.4
299.08850	0.3
300.06104	0.4
301.03281	0.2
302.07657	0.4
313.07980	0.3
313.17941	0.2
315.04880	1.0
316.05722	26.2
317.05865	0.8
330.26385	1.4
331.08060	100.0
331.26523	1.8
332.08420	3.1
332.12247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1017
Annotation	32142-31-7
Peak:m/z	Relative Intensity
55.01848	1.2
55.05498	1.3
65.03929	1.1
67.01820	1.1
67.05480	3.3
69.03416	1.6
69.07035	2.0
69.89697	3.0
69.90109	2.0
70.06594	3.7
72.08123	1.2
79.05478	1.5
80.04990	0.7
80.05809	0.7
81.03397	0.7
81.07020	3.4
84.04473	1.1
84.08141	1.0
85.02873	2.8
85.06535	0.8
86.09683	2.0
86.43294	0.8
91.05478	2.0
93.07011	1.4
94.06522	1.9
95.04937	3.4
95.08572	1.6
96.08096	0.9
97.02845	1.3
98.98447	58.0
100.98859	1.1
105.07011	0.9
107.08520	1.5
109.10130	5.0
110.05987	1.8
114.44686	0.7
116.04896	1.4
116.99529	1.9
117.07093	0.7
119.08556	0.8
121.06521	0.8
122.05988	4.7
123.04413	10.5
124.07578	4.3
127.03860	4.2
129.06787	0.8
129.10211	1.0
131.04817	0.7
134.05978	1.4
135.07953	0.9
137.05952	1.1
137.09567	3.9
140.07021	11.3
141.07800	0.8
144.04465	3.7
146.05975	1.3
147.04375	1.4
149.05888	0.8
151.03868	17.9
152.07010	0.8
153.09091	1.4
155.08511	1.4
161.09497	1.0
162.05496	5.8
165.09093	2.7
169.04932	100.0
170.05249	2.1
172.03908	14.9
174.99173	2.8
176.98917	5.3
177.52034	0.7
179.06978	1.6
180.06471	0.9
181.04887	0.8
190.04951	42.8
191.05386	1.1
192.06540	2.2
239.08295	1.1
267.07520	1.5
273.59253	0.8
277.23334	1.1
285.08258	0.8
286.10309	0.8
289.11618	0.8
295.24493	1.9
298.04584	1.0
313.08249	0.9
313.11804	3.1
313.25558	2.2
331.04361	1.5
331.08209	4.8
331.12442	7.1
331.26624	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	331.1535
Annotation	Gibberellin A11
Peak:m/z	Relative Intensity
52.60827	0.8
53.03919	1.8
55.01869	5.2
55.05489	1.2
65.03919	4.1
67.05487	5.9
69.03438	4.6
70.19364	2.0
70.19778	2.5
76.03902	0.8
79.05473	5.7
81.02941	1.1
81.03408	21.0
81.07032	3.3
83.04951	1.5
91.05458	11.9
93.03395	9.2
93.07025	7.2
95.01299	1.1
95.04954	19.1
95.08587	2.5
97.06470	0.7
98.98452	52.1
100.24964	0.7
100.98883	1.6
103.05460	1.3
105.07024	7.5
107.04926	4.4
107.08553	1.9
109.06475	2.3
115.05447	3.6
116.99514	1.6
117.07022	4.9
119.04924	2.0
119.08577	3.8
121.02847	31.8
121.06486	7.3
123.08047	0.9
128.06209	3.5
129.06990	4.7
131.04913	2.9
131.08545	33.4
133.06433	2.7
133.10043	1.8
135.04419	1.3
135.08012	1.5
137.02377	1.1
137.05954	4.2
141.05914	1.1
141.06963	10.5
142.07726	3.4
143.08537	11.8
144.05699	4.7
145.06468	7.7
145.10112	1.9
147.04369	1.8
147.07977	2.6
149.05959	2.8
151.03896	1.2
151.07494	1.4
152.06177	1.0
153.06938	2.6
155.08546	4.9
157.06488	2.4
157.10049	5.6
159.08028	100.0
160.08476	2.0
161.05913	1.8
161.09596	4.0
163.03871	0.9
163.07581	1.9
165.05568	1.4
165.06985	4.2
166.07729	2.3
167.03415	6.1
167.07152	1.0
167.08524	16.2
168.09221	1.2
169.06453	3.1
169.10083	3.1
170.07118	0.9
171.04367	1.2
171.08023	8.7
173.09633	0.8
174.99176	1.3
175.07578	1.3
175.11081	1.3
176.98906	4.0
177.09000	3.7
178.07726	4.2
179.08517	5.7
180.09334	1.1
181.06415	1.6
181.10071	3.5
182.10863	0.9
183.08038	5.2
183.11696	3.2
185.09608	6.4
187.07515	3.1
189.09082	1.1
191.07027	1.0
191.08533	3.8
191.10490	2.0
192.09326	14.0
193.10062	4.8
195.08095	5.1
195.09604	1.1
195.11690	1.1
196.08751	1.5
197.06004	0.9
197.09599	5.0
197.13219	2.5
199.07571	1.9
199.11160	1.5
201.09050	2.3
202.07761	8.9
203.08632	1.0
203.10533	1.3
205.06572	1.9
205.08434	1.0
207.08086	1.7
207.11664	14.2
209.09627	6.5
210.10373	2.8
211.07509	2.1
211.11137	6.9
217.08322	0.9
217.10176	12.2
217.12137	1.3
219.08005	2.5
219.10138	4.1
220.08798	7.2
221.09535	2.1
223.11198	0.9
225.12711	21.5
227.03433	1.0
227.10420	1.0
231.06375	1.5
231.10130	2.2
235.11147	31.3
236.11711	1.6
237.09018	1.7
238.09895	1.7
239.10699	1.6
242.05878	1.3
243.06416	1.9
249.09142	1.0
253.12196	38.8
254.12489	1.3
259.06088	1.4
263.10574	2.5
270.05209	3.1
270.08081	0.8
271.06006	1.1
271.13232	3.9
281.11636	8.5
285.14798	6.1
287.05603	1.0
288.06030	1.7
295.13211	8.1
298.04675	1.3
299.05548	1.3
299.12857	2.2
301.03473	1.0
313.14310	15.4
313.17862	1.3
315.04935	1.0
316.05753	7.4
331.04520	2.3
331.08072	34.6
331.15326	67.8
331.26486	1.5
332.08395	2.0
332.15656	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24686	1.4
51.45644	1.4
52.93501	1.3
55.05501	7.2
56.50055	1.3
57.03417	3.5
57.07066	59.5
58.06575	1.7
67.05502	13.2
69.07066	9.0
70.06579	8.1
70.20831	5.6
70.21475	1.6
70.29033	1.5
71.08249	2.8
71.08620	39.0
72.08942	2.0
78.24109	1.5
78.35889	1.5
81.07050	21.5
83.08613	14.7
85.06459	1.4
85.10160	21.2
88.07620	8.8
90.85303	1.5
91.05495	4.0
95.08591	30.0
97.10132	6.9
97.36770	1.4
98.21355	2.3
98.98453	100.0
99.11703	1.7
100.98831	3.2
102.09174	3.0
106.08640	3.9
109.10149	11.9
111.11666	1.9
116.99484	4.0
123.11676	6.8
125.13210	1.8
127.14809	1.5
127.15774	1.5
137.13278	3.0
140.01172	2.0
145.10060	1.9
174.99231	3.5
176.98900	6.5
229.93008	1.5
239.23622	11.1
257.24731	3.6
302.42899	1.6
313.27301	34.8
313.32785	3.1
331.08130	3.7
331.33963	76.2
332.33783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.5
57.03411	8.1
57.07066	100.0
57.93364	2.2
67.05499	29.9
69.07054	15.7
70.06578	10.7
70.94888	7.0
71.08619	82.1
75.04446	2.7
79.05441	3.4
81.07035	39.6
83.08610	27.4
85.10164	36.5
88.07619	12.3
95.08586	58.0
97.10126	11.4
98.98449	85.0
99.11710	5.5
106.08647	7.0
109.10138	28.4
111.11693	4.3
116.99515	2.7
123.11681	9.2
137.13232	5.3
151.14813	3.0
165.16444	2.5
174.99135	4.2
176.98897	5.5
193.13762	2.3
239.23676	17.2
244.45201	2.3
257.24786	5.8
264.23679	2.1
308.34454	2.2
313.27341	52.5
313.32996	7.3
331.08154	4.9
331.33945	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14947	0.9
53.03937	1.0
56.05018	1.2
61.36697	1.0
67.05490	1.4
68.99774	1.6
69.03418	1.8
70.06564	2.6
70.09167	5.1
77.03929	1.3
79.05483	2.0
80.04982	1.2
81.03406	2.4
82.06558	0.9
83.04973	1.2
84.04480	6.8
91.05460	1.8
93.03374	1.5
95.04960	2.2
96.04436	1.0
96.08127	1.0
106.06584	0.9
107.04931	3.0
109.02847	2.8
110.06011	3.2
111.04414	3.1
113.07275	1.2
118.06483	1.5
119.04917	5.5
120.38927	0.9
121.02821	1.2
123.04410	45.8
124.03925	3.1
124.07607	2.5
126.05495	4.0
127.03796	1.0
134.05959	3.1
135.04396	4.7
137.05861	1.4
138.05489	8.1
139.03876	22.6
140.07004	2.1
146.05989	4.8
147.04384	14.5
149.05943	2.0
151.03900	3.5
152.03467	1.2
152.07040	13.3
156.06503	1.1
159.08009	1.1
161.05988	2.8
162.05478	1.6
163.03889	16.1
163.35582	1.1
164.07039	17.0
165.04283	1.2
165.05479	5.8
166.04976	2.4
166.08632	2.5
168.06512	6.9
171.49944	1.3
176.07005	3.4
177.05495	1.6
180.06531	100.0
181.06862	3.2
182.08124	7.2
188.07082	2.1
192.06563	3.8
193.04852	0.9
194.08057	11.6
210.07541	2.5
230.07909	1.2
242.49706	1.0
271.06039	1.5
314.10220	4.0
315.08582	2.6
332.11224	64.8
333.11551	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	332.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	1.2
56.05016	1.1
59.41443	0.6
65.03889	1.0
67.01842	0.8
67.05493	1.5
68.99770	1.8
69.03410	1.5
70.06570	1.9
71.39841	1.2
77.03930	1.0
79.05482	1.7
82.06557	0.7
84.04485	5.5
91.05472	3.0
93.03405	1.1
94.90062	0.6
95.04961	2.2
96.04478	0.7
96.08134	0.8
105.03362	0.6
106.06519	0.7
107.04926	2.9
109.02887	0.8
110.06013	3.4
111.04407	3.7
112.07580	0.8
118.06529	1.7
119.04926	5.6
121.02850	0.8
122.05918	0.7
123.04411	44.9
124.03937	2.4
124.07555	1.9
126.05511	2.4
128.32831	0.6
131.04912	1.1
134.05994	2.3
135.04402	3.5
136.03879	0.7
137.02290	1.5
137.05923	0.9
138.05457	7.0
139.03874	26.4
140.07021	1.7
146.05991	5.3
147.04379	14.6
149.02345	0.9
149.04718	0.9
149.05991	1.2
151.03868	2.8
152.03404	1.3
152.07040	8.7
153.04204	0.6
153.05447	0.9
155.23055	0.6
156.06476	1.1
160.07651	0.7
161.05966	2.0
162.05492	2.5
163.03879	14.0
164.07054	12.9
165.04211	1.3
165.05447	5.1
166.04863	1.1
166.08614	2.0
168.06551	8.8
169.04965	0.9
170.11806	0.8
176.07074	2.6
177.05424	3.7
179.06909	0.7
180.06523	100.0
181.06883	2.5
182.08105	7.6
182.70065	0.7
188.07077	2.2
189.05479	1.0
192.06511	3.6
194.08098	12.8
207.06581	0.7
210.07553	3.1
223.26973	0.7
271.05927	1.1
273.07651	0.8
287.09146	0.7
287.68927	0.8
289.07120	0.7
314.10187	3.4
315.08472	4.4
332.11212	63.4
333.11728	3.5
339.80786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03930	1.2
55.01857	1.0
56.96552	2.5
57.03417	2.1
60.91323	0.6
61.02917	3.3
65.03935	1.4
67.05489	3.1
69.03420	9.7
69.33485	0.6
71.69113	1.7
72.65585	0.8
73.02905	3.7
79.05484	1.7
80.04999	0.7
81.03415	1.7
81.07040	1.0
83.04948	0.9
85.02892	11.8
87.04466	1.7
95.66293	1.0
96.08136	1.3
97.02873	4.8
98.97575	3.6
98.98429	0.9
99.04478	1.3
106.06531	5.8
107.04941	0.8
108.08098	100.0
109.02864	1.3
109.08442	1.4
110.97546	0.8
112.99101	1.5
113.57319	0.7
116.98605	2.2
122.07198	0.8
122.52227	0.7
123.06770	4.3
124.07574	16.9
126.01793	0.7
127.03877	2.9
127.04739	0.6
128.98584	1.2
131.00160	2.4
133.03482	0.9
134.05994	10.7
135.04434	1.0
136.07550	14.2
138.18060	0.6
146.99715	1.0
152.07042	68.2
153.05449	8.3
153.07352	1.6
154.08598	2.4
158.99658	0.7
165.00685	1.0
170.06145	1.0
170.08063	10.9
170.09265	1.0
170.99649	0.8
172.94400	0.8
178.04906	2.5
190.95499	1.0
214.95377	1.4
229.09996	0.8
232.96358	3.2
237.02820	1.5
251.07733	1.3
272.99640	2.0
291.00687	1.6
314.12274	38.7
315.12698	0.9
321.10229	1.4
332.13361	49.6
333.13586	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	332.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91250	0.7
52.03009	0.6
53.03935	1.5
55.01860	1.3
55.05504	4.5
56.05019	1.5
57.03418	2.2
57.07049	1.9
58.06591	1.4
59.14481	0.6
60.04515	66.1
60.31269	0.6
62.78605	0.7
67.05486	5.5
68.05015	6.3
69.03416	1.1
69.07053	2.4
70.02926	1.1
70.06573	1.4
71.04986	1.2
71.08638	0.7
71.70365	1.1
72.04502	4.3
73.02892	3.2
79.05473	4.4
79.83700	0.7
80.05005	4.1
81.03423	0.8
81.07038	4.3
82.06562	2.5
83.08595	2.6
84.04485	2.8
85.02885	2.6
86.06055	4.0
90.05534	2.7
91.05466	4.4
93.07040	4.6
94.06564	3.7
95.04960	1.9
95.08613	3.6
96.04471	2.6
96.08081	0.9
97.06496	0.7
97.10181	1.0
98.06037	2.2
98.98450	14.2
99.04443	0.9
105.07008	4.1
107.08584	2.0
109.06458	0.8
109.10114	1.5
110.06017	1.0
112.07581	1.8
114.05508	9.2
116.07076	6.5
119.08562	3.0
121.10110	2.4
123.11620	0.8
130.08617	1.7
131.08449	0.7
132.06541	100.0
133.10092	1.6
135.95311	0.8
145.10109	1.2
147.04373	1.1
147.11642	1.2
149.13324	0.8
159.08014	1.0
159.11636	1.0
181.04935	1.2
228.23083	1.6
241.19252	0.7
250.25362	1.2
254.24739	1.4
278.24756	2.7
296.25754	6.1
314.26843	30.2
332.08304	1.8
332.27890	96.5
333.24188	2.9
333.28265	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	332.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03423	0.5
55.05500	2.8
56.05034	1.2
57.07056	1.5
58.06566	0.5
58.08701	0.4
60.04514	43.6
67.05484	2.8
68.05020	3.3
68.45634	0.4
69.03415	1.1
69.07056	3.1
70.06555	0.7
70.87042	1.6
71.04953	0.5
72.04496	2.8
73.02886	1.7
75.71825	0.5
79.05450	1.1
80.05009	3.1
81.07021	2.0
82.06559	1.4
83.08607	1.7
84.04481	2.7
85.02901	0.7
85.10188	0.5
86.06045	2.7
90.05505	1.0
91.05463	0.7
93.07018	1.0
94.06542	2.3
95.04950	0.6
95.08553	1.8
96.04466	1.3
96.08092	1.4
97.10135	1.0
98.06033	0.7
98.98462	1.2
100.07607	1.2
101.04826	0.5
102.05503	0.9
109.10164	0.5
110.06016	2.0
114.05512	6.4
118.00484	0.5
120.08081	0.6
130.08644	0.9
132.06540	53.3
142.08704	0.7
203.20874	0.5
210.22124	1.4
236.23564	1.2
248.23766	1.7
250.25317	1.1
254.24706	6.8
260.12762	0.5
266.24762	0.6
273.09314	0.6
278.24927	2.6
278.27353	0.6
296.25797	6.1
314.26825	21.8
315.27191	0.8
332.27878	100.0
333.28204	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73341	1.3
55.05501	9.8
56.05028	8.5
57.03413	2.3
57.07065	9.2
58.02950	7.7
58.06562	1.3
60.04515	25.9
67.05482	8.3
68.05001	1.4
69.07052	15.1
69.42061	14.1
70.02934	1.9
71.01342	3.7
71.08614	4.7
72.04502	100.0
79.05516	2.6
79.14268	1.5
81.07032	8.3
82.06542	1.3
82.24712	1.3
83.04967	2.3
83.08611	12.8
84.04488	16.9
85.02881	12.3
85.10164	3.7
86.06034	7.8
88.03959	4.1
93.07011	3.5
95.08581	8.9
96.04475	1.9
97.10162	8.6
98.20661	2.6
100.03966	2.8
102.05524	3.2
109.10141	4.3
111.11708	4.3
118.27934	1.3
121.10138	3.2
125.13237	2.9
156.82961	1.4
199.23546	1.4
212.23671	12.1
213.22096	6.8
214.47655	1.4
240.26836	1.5
251.23697	13.8
254.24921	1.6
257.64447	1.7
266.24780	2.5
267.22977	2.4
268.26318	30.5
278.24695	3.3
296.25800	28.4
314.26816	38.9
330.03119	1.6
332.27847	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	332.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01853	1.3
55.05492	7.2
56.05025	2.1
57.07052	2.7
60.04512	27.4
67.05480	5.0
68.05012	4.7
69.07056	7.4
70.06564	1.7
70.35504	2.2
71.08598	2.0
72.04492	4.0
73.02895	1.3
78.88914	0.9
79.05462	2.6
80.04548	1.1
80.04972	4.1
81.07054	5.3
82.06558	6.2
83.08597	4.4
84.04481	2.7
85.10144	1.2
86.06049	2.5
93.07024	2.0
94.06541	3.1
95.08590	5.1
96.04492	1.3
96.08104	3.1
97.10141	2.1
98.06041	2.1
100.07602	6.1
101.46584	0.8
107.08521	1.3
110.06020	3.9
114.05525	1.9
125.96830	0.8
132.06534	17.1
212.23677	2.2
226.25223	1.1
236.23645	4.6
248.23648	4.1
250.25266	4.9
252.23175	1.7
254.24733	49.2
255.24994	1.9
260.23538	1.1
266.24768	3.2
268.26285	2.7
278.24631	6.5
296.25742	9.9
314.26834	69.3
315.27222	2.7
317.45959	0.9
332.27884	100.0
333.28284	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	332.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.05267	0.5
55.05501	5.5
56.05022	3.1
57.03410	1.1
57.07069	1.0
60.04514	24.8
60.86311	0.3
64.36788	0.4
65.03918	0.5
67.05176	0.6
67.05489	5.4
68.05018	2.1
68.39387	0.4
69.03406	1.2
69.07061	5.6
69.67101	0.3
69.75148	3.0
70.06570	1.5
71.04975	0.6
72.04496	3.0
79.05493	2.0
80.04999	10.9
81.03390	0.4
81.07047	6.3
81.46404	0.3
82.06561	3.0
83.04926	0.5
84.04496	1.5
85.06541	0.4
86.06038	1.1
87.04434	0.6
90.05520	1.7
91.05441	1.0
93.07030	2.4
94.06547	5.1
95.04937	0.9
95.08587	5.9
96.08101	0.9
97.10164	1.3
98.06029	1.0
98.97545	0.5
98.98431	3.1
105.06997	1.3
106.06474	0.4
107.08553	1.3
108.08067	0.7
109.10126	2.4
110.06035	1.5
110.09614	0.5
111.11696	0.4
112.07636	0.4
114.05535	0.6
116.07069	1.5
120.08097	0.6
121.10092	0.8
123.04411	0.4
123.11655	0.4
123.99138	0.4
124.07570	0.6
132.06535	1.3
133.10112	0.5
134.09654	0.4
137.05911	0.5
142.08623	0.8
147.07947	0.5
148.11046	0.4
167.03377	1.7
168.03693	1.3
189.12692	0.5
200.92670	0.5
210.22112	4.3
222.22150	0.7
224.23648	0.5
232.06740	0.5
236.23677	1.5
240.23203	1.2
240.25699	0.4
243.06284	0.7
246.04897	0.4
248.23605	2.4
250.25281	1.6
252.23248	0.8
260.06393	0.9
260.23724	2.3
261.06989	0.5
266.24759	1.0
268.26587	0.4
278.24744	9.0
288.05743	0.5
289.06760	0.6
296.25797	17.4
297.26038	0.5
300.05930	0.6
314.26840	27.9
315.19501	0.6
315.27161	0.7
317.06055	3.4
332.08420	15.4
332.27887	100.0
333.05621	0.9
333.08997	0.7
333.28238	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	332.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05273	0.5
55.05500	5.9
56.05026	3.2
57.03419	0.7
57.07056	1.4
58.19042	0.4
60.04517	24.1
65.03893	0.6
67.05496	5.1
68.05002	2.2
69.03440	2.4
69.06733	0.6
69.07057	6.0
70.06565	1.2
71.04993	0.7
72.04510	3.3
74.06063	1.1
79.05487	3.3
80.05001	11.9
81.03398	0.9
81.06599	0.6
81.07042	6.5
82.06560	2.8
83.04964	1.0
84.04480	1.1
84.08109	0.6
85.02866	0.6
86.06036	1.4
90.05518	1.5
91.05464	1.6
93.07014	2.6
94.06552	6.0
95.01315	0.5
95.04975	0.9
95.08590	6.2
96.08105	1.3
97.10130	0.6
98.06042	1.0
98.98442	4.7
100.07607	0.7
105.07007	1.5
107.08572	2.0
108.08088	0.7
109.02806	0.5
109.09520	0.5
109.10147	3.4
110.06030	1.5
110.09669	0.7
114.05515	1.0
116.07056	1.6
119.08572	1.2
121.10104	1.8
123.11691	0.7
124.07552	0.6
131.08517	1.2
132.06543	1.7
133.10101	0.8
134.09618	1.0
134.39374	0.5
135.08038	0.7
135.11639	0.5
137.09673	0.6
142.08617	0.8
143.90128	0.6
145.10066	0.8
149.09598	0.8
159.11606	1.0
165.09048	0.8
169.01268	0.7
175.29033	0.5
191.35300	0.5
210.22134	4.1
229.72275	0.5
236.23650	1.2
240.23222	0.9
248.23618	3.2
249.54921	0.5
250.25404	1.2
252.23219	0.8
260.23727	2.7
266.65216	0.5
268.26266	0.6
278.24713	6.1
296.25803	17.7
301.03253	0.6
314.26837	37.7
315.19730	0.5
315.27069	1.5
317.06216	0.6
318.03549	1.4
332.08420	3.4
332.27893	100.0
333.05765	3.0
333.20883	0.6
333.28104	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	333.0598
Annotation	Quercetagetin 4'-methyl ether
Peak:m/z	Relative Intensity
55.01850	0.4
55.05491	0.3
65.03928	0.8
65.69472	0.2
67.01837	0.3
67.05485	0.6
68.99773	2.8
69.03403	0.5
70.09504	1.3
71.04982	0.3
79.05488	0.7
81.03390	0.4
81.07028	0.6
83.04976	0.3
85.02882	0.4
91.05447	0.5
92.02591	0.3
93.03389	0.9
93.07023	0.4
95.01281	0.3
95.04952	0.6
95.08563	0.6
97.02844	0.4
98.20792	0.3
98.98432	1.0
103.05385	0.3
105.07004	0.6
107.04954	0.3
107.08602	0.5
109.02857	1.4
109.10117	0.4
111.00771	3.4
111.04420	0.4
115.05453	0.3
121.02846	1.1
121.06466	0.4
123.04408	1.8
125.02325	0.6
125.06006	0.4
126.03130	0.3
127.03887	0.4
131.08551	0.5
133.02866	0.2
134.03513	0.3
135.04420	0.5
135.08070	0.3
137.02318	2.3
137.09592	0.3
138.03099	0.9
139.03854	1.8
140.04649	0.7
145.10161	0.3
147.04402	0.4
149.02255	0.5
151.03894	1.4
152.01085	0.4
153.01796	14.8
153.05370	0.5
159.08047	0.3
161.05959	0.3
165.01808	4.5
166.02574	0.8
167.03374	4.5
167.07037	0.5
168.00558	0.5
169.01292	5.0
171.04361	0.5
175.03859	0.3
176.98930	0.3
179.03394	2.2
183.02841	1.1
186.01514	0.3
187.03879	0.4
188.04633	0.4
189.05440	1.0
191.03448	0.4
191.06993	0.4
193.04909	1.7
195.02797	0.7
199.03873	1.3
203.03365	0.5
205.04951	0.7
206.05672	0.3
207.02826	0.6
208.03609	0.6
213.05409	0.4
215.03398	0.3
216.04118	1.5
217.04930	3.9
219.02846	3.7
221.04417	0.5
227.03389	0.9
229.04904	0.8
233.04356	1.6
234.01602	0.4
234.05200	0.5
241.04903	1.6
243.02831	0.7
244.03612	3.6
245.04382	5.7
247.02318	0.7
249.03912	0.4
255.02797	1.2
257.04553	0.3
259.05975	2.2
261.03821	2.2
262.04663	1.1
272.03085	0.8
273.03839	4.7
274.04462	0.6
277.06985	1.4
279.29822	0.3
285.03955	0.3
287.05408	3.7
289.03369	4.6
290.04153	2.7
300.02539	0.7
301.03366	8.7
302.03870	0.4
304.05664	1.5
315.04858	0.8
318.03635	13.5
319.03842	0.5
332.27649	0.6
333.05972	100.0
334.06369	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	333.0598
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
55.01889	0.7
55.05521	0.5
60.04517	0.6
63.75373	0.5
64.02393	0.5
67.05501	0.6
69.03426	0.6
70.17591	0.8
70.17950	2.4
74.84964	0.5
74.86443	0.5
79.05486	1.3
81.03403	1.0
81.07047	0.9
91.05475	1.3
93.07050	0.6
95.01312	0.7
95.04968	0.6
95.08558	0.5
105.07041	1.2
107.04963	0.7
107.08615	0.5
108.02095	0.8
109.02865	1.3
109.06499	0.5
121.06518	0.6
121.10197	0.5
126.03117	2.9
129.06992	0.6
130.05611	0.4
131.08540	0.9
135.07985	0.6
136.01523	0.6
137.02333	1.6
138.03111	0.9
141.06938	0.7
145.06464	0.7
147.08066	1.3
152.01088	0.7
153.01810	11.7
159.08043	1.0
161.09634	0.6
166.02582	2.4
170.02118	0.7
171.45157	0.5
177.05467	0.6
179.03381	0.8
181.06519	0.7
183.02835	0.7
184.91896	0.4
188.04636	0.8
191.03317	0.6
191.41594	0.6
193.01237	0.6
199.11227	0.8
202.02679	0.8
205.04968	1.2
206.05664	0.6
208.03503	0.5
216.04214	2.6
217.04913	0.8
219.02878	4.5
220.03609	1.5
223.11201	0.6
227.03276	0.6
227.10565	0.5
230.02164	0.6
233.04456	1.1
234.05139	0.7
241.12311	0.5
243.02881	1.1
244.03625	7.6
245.04425	4.3
261.03918	3.4
269.11624	0.7
272.03174	2.9
273.03845	2.4
289.03357	2.9
290.04135	5.5
297.11029	0.6
300.53171	0.4
301.03394	10.7
315.12308	1.3
317.02878	16.9
318.03650	71.8
319.03983	2.8
332.28018	0.6
333.05991	100.0
334.06311	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	333.06
Annotation	Laricitrin
Peak:m/z	Relative Intensity
55.01865	0.4
55.05486	0.3
57.03405	0.3
65.03929	0.6
67.01848	0.5
67.05481	0.7
68.99781	2.5
69.03413	0.6
69.07074	0.3
69.89046	1.4
70.06584	0.4
71.04965	0.3
78.94739	0.2
79.05466	0.7
81.03390	0.7
81.07030	1.0
83.04959	0.8
85.02897	0.6
86.09682	0.5
91.05467	0.7
92.02607	0.3
93.03374	0.3
93.07023	0.7
95.04935	0.7
95.08601	0.7
97.02856	0.7
97.06516	0.4
98.21408	0.2
98.98468	1.1
105.06992	0.9
107.04903	0.4
107.08576	0.6
107.50990	0.2
109.02871	1.0
109.10135	0.4
111.00793	2.6
111.04436	2.3
115.05372	0.3
117.06953	0.3
119.08570	0.5
121.02851	1.0
121.06514	0.4
121.10120	0.6
123.04399	1.2
123.08020	0.3
125.02322	1.2
125.05961	0.6
126.03120	0.3
127.03850	0.6
129.07022	0.3
131.04875	0.3
131.08527	0.5
133.02826	0.4
133.10139	0.4
135.04370	0.3
135.08055	0.5
136.01503	0.4
137.02301	2.1
137.09592	0.7
138.03082	0.5
139.03883	3.5
140.04692	2.2
143.08492	0.4
145.06505	0.2
145.10138	0.6
147.08017	0.3
149.02289	0.4
149.05972	0.3
149.09647	0.3
150.03102	0.3
151.03864	2.0
152.01009	0.3
152.07036	0.3
153.01805	19.5
153.05418	0.6
154.02139	0.3
155.04942	0.3
157.10121	0.4
159.04399	0.3
159.11607	0.3
161.05916	0.3
161.09589	0.4
161.20972	0.2
163.03841	0.4
163.11099	0.2
164.01042	0.3
165.01834	2.9
165.05530	0.4
165.09090	0.4
166.02609	0.7
167.03381	4.7
167.06998	0.4
169.01367	0.3
169.10031	0.3
171.04422	0.7
173.09567	0.3
173.13298	0.3
176.04662	0.3
177.05333	0.3
179.03371	11.6
183.02875	1.1
187.03850	0.3
188.04688	0.6
189.05432	0.6
191.03355	0.7
191.07025	0.5
192.04097	0.5
193.04948	1.7
195.02887	3.7
195.11703	0.2
197.13358	0.3
199.03873	1.3
200.04695	0.4
201.05417	0.4
202.02525	0.3
203.03394	0.9
205.04955	0.5
207.02818	1.9
208.03638	0.6
210.57376	0.2
216.04161	1.6
217.04935	4.1
219.02815	2.9
220.03705	1.2
221.04427	2.3
223.11084	0.3
227.03343	2.3
228.04013	0.4
229.04910	0.9
231.02765	0.5
231.06471	0.3
233.04446	1.1
241.04942	0.9
241.12135	0.3
243.02864	0.8
244.03621	4.3
245.04388	4.7
245.15456	0.3
246.05063	0.4
247.02357	0.8
249.03955	0.5
255.02832	3.1
256.03455	0.4
257.04410	0.5
259.02124	0.3
259.03064	0.4
259.05988	4.9
261.03906	2.3
272.03137	1.2
273.03885	4.0
274.04709	0.3
277.07150	0.7
283.02307	0.6
284.03354	0.3
287.05447	9.7
288.05896	0.4
289.03366	2.9
290.04224	1.4
297.18411	0.4
300.02536	1.6
301.03387	5.9
304.05801	2.4
315.05023	2.3
315.12930	0.5
315.19449	0.7
317.99902	0.3
318.03665	9.0
333.06000	100.0
333.20447	1.4
334.06369	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	333.1327
Annotation	Monocillin III
Peak:m/z	Relative Intensity
53.03939	25.2
54.97098	1.6
55.01873	2.7
55.05491	2.2
56.36197	1.4
60.19119	2.0
61.84207	1.8
64.46651	1.7
64.89638	1.5
67.05497	5.1
69.03417	1.6
69.07042	2.0
70.84090	3.4
79.05481	8.6
81.03407	41.6
81.07043	6.8
82.36926	1.5
83.01326	1.7
85.02863	2.0
91.05456	24.6
93.07040	4.4
95.04944	3.7
97.02859	12.9
98.98463	2.4
103.05444	2.6
105.07019	16.3
107.04949	4.4
107.08606	2.2
108.05737	2.8
109.02863	68.8
111.04427	6.3
115.05456	4.9
117.06969	11.9
119.08585	6.0
121.06497	7.1
123.04404	3.5
128.06174	8.4
129.06953	13.7
131.04906	5.9
131.08551	29.0
131.09473	3.0
132.08989	1.6
133.06506	4.7
133.10100	10.3
134.07240	4.2
135.04372	9.7
136.04755	1.4
137.02299	2.9
137.05969	3.2
141.06996	8.3
142.07751	7.0
143.08533	28.8
144.05653	3.0
144.09325	3.9
145.06458	13.0
145.10124	7.2
146.07301	2.0
147.08023	11.2
149.05927	2.5
153.06976	4.6
154.07721	2.9
155.08556	7.8
157.10114	10.7
158.10817	2.1
159.08028	60.8
159.11674	3.9
160.08815	20.7
161.09593	100.0
162.10280	7.4
165.06929	8.0
167.08545	11.8
168.09323	3.3
169.10126	15.2
171.08072	4.7
171.11717	3.6
173.09610	2.4
177.09071	8.0
179.08521	8.9
180.09364	8.9
181.06509	3.4
181.10089	10.2
183.08032	3.4
183.11646	2.1
185.09625	9.8
185.13210	3.0
187.07523	7.5
187.11180	6.2
188.08264	1.7
190.07721	4.2
191.08459	2.9
191.10803	2.1
192.09302	2.3
193.10097	3.0
195.07980	2.7
195.11679	30.8
197.09639	4.8
197.13258	5.0
199.07413	2.0
199.11008	1.6
203.10561	1.8
205.08463	13.0
205.10211	10.1
206.09331	42.6
207.11581	7.5
208.08969	3.6
213.09068	3.4
213.12715	3.9
223.11111	21.8
225.09106	3.5
225.12717	3.6
227.10747	3.5
231.10094	10.7
233.09608	8.3
241.12192	25.1
251.10616	40.9
252.11230	2.4
253.12276	2.2
259.13293	2.3
269.11679	40.4
270.11914	2.3
271.13193	2.6
279.10114	9.2
287.12772	9.7
297.08002	3.1
297.11185	42.1
315.12216	92.9
316.12610	4.0
333.13547	12.3
340.57712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30000	1.8
53.03710	2.7
53.03940	26.7
55.01862	5.2
67.05486	4.9
68.87377	1.8
69.03426	2.2
69.07065	3.7
70.06579	6.0
71.44748	3.7
71.67884	1.7
72.08149	2.7
75.92606	1.7
76.04032	1.9
79.05478	7.8
81.03408	42.6
81.07035	5.8
83.04966	5.5
85.02879	4.4
86.09689	3.5
91.05460	19.5
93.07026	5.0
94.06505	2.3
95.04974	3.0
97.02879	13.4
98.98470	12.4
105.07030	19.9
107.04929	4.3
108.05743	2.5
109.02869	78.8
111.04424	4.0
115.05450	4.0
117.07001	15.1
119.04931	3.1
119.08595	6.8
121.06499	4.5
123.04414	10.3
124.04816	4.4
128.06207	8.1
129.06987	11.1
131.04893	4.5
131.08563	32.5
133.06456	3.9
133.10124	7.7
134.07213	3.6
135.04428	10.8
135.08029	2.2
137.02278	3.3
137.05933	3.9
139.03867	10.4
140.67876	2.1
141.06963	10.3
142.07755	8.1
143.08562	26.3
144.05710	2.4
144.09213	2.6
145.06451	12.1
145.10085	10.7
146.05931	2.9
146.07195	2.2
147.04395	5.3
147.08037	11.0
149.05992	3.3
153.05414	2.8
153.06934	4.5
153.41765	1.9
154.07701	2.4
155.08563	10.3
157.10086	9.4
159.08038	63.3
159.11671	4.0
160.08821	18.5
161.09601	100.0
162.10266	7.5
163.03972	4.7
164.07050	2.9
165.05478	6.0
165.07062	8.3
167.08551	15.2
168.09328	4.9
169.10103	9.9
171.08006	4.2
171.11601	2.4
173.09691	2.2
177.05415	2.4
177.09081	6.0
179.08542	6.1
180.06584	3.7
180.09325	6.4
181.06699	2.5
181.10098	7.7
183.08011	3.4
183.11693	4.2
185.09625	9.5
185.13315	5.9
187.07500	6.9
187.11197	8.2
190.07678	3.6
192.09285	3.9
195.08125	4.6
195.11656	35.8
197.07127	3.4
197.09593	4.8
197.13283	6.3
198.10594	2.2
199.11159	2.7
201.09135	2.6
203.10530	2.3
205.08539	8.4
205.10204	9.5
206.09346	43.7
207.11711	5.6
208.08832	3.0
209.09570	2.0
213.09186	2.0
213.12671	8.0
223.11122	21.0
224.43074	2.2
225.09087	4.6
225.12639	5.3
227.10654	4.2
231.10141	12.5
233.09590	8.1
241.12166	20.7
243.13754	2.4
251.10667	38.4
253.12093	3.2
269.11691	38.2
274.99802	2.0
279.10049	5.6
287.12827	12.2
297.11163	40.6
298.11511	2.3
305.13824	10.7
315.12338	82.9
316.12531	3.1
333.10916	8.6
333.14798	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	333.1328
Annotation	Monocillin III
Peak:m/z	Relative Intensity
55.05501	0.7
67.01839	0.7
67.05498	0.8
69.03413	1.4
69.60820	4.1
70.58418	0.5
79.05472	1.6
81.03400	1.3
81.07027	0.8
81.77940	0.5
91.05473	7.2
93.03393	0.7
93.07032	1.1
95.01318	61.9
95.04949	1.8
98.98425	0.8
100.68284	0.5
105.07008	6.5
107.08583	0.8
109.10152	0.6
111.04404	2.2
115.05445	1.5
117.06988	4.7
119.08566	1.3
128.06169	1.3
129.06979	2.5
131.08543	27.2
132.08868	0.6
133.06480	1.0
133.10126	3.2
135.04359	1.0
135.08000	0.6
137.02309	0.6
141.06970	8.9
142.07700	0.6
143.08559	4.0
144.05666	3.2
145.06445	0.9
145.10095	2.8
147.04433	0.6
149.05940	0.7
149.09618	1.0
153.06964	0.7
155.08513	3.9
157.10110	3.5
159.08032	100.0
160.08366	2.2
161.05981	0.7
161.09592	4.0
164.06998	1.4
165.05605	1.1
165.06990	1.3
167.08527	1.3
169.06412	1.6
173.09592	8.8
175.11148	1.9
177.09090	8.9
181.10121	1.4
183.07997	1.6
185.09520	1.2
187.07475	3.3
195.08038	1.2
195.11604	1.5
197.09499	1.0
198.85681	0.5
199.11017	0.8
200.31633	0.6
201.09085	8.1
203.10625	1.7
205.08528	7.0
205.10184	1.0
208.08879	1.1
209.09508	0.7
213.12756	0.8
219.10023	1.2
223.11191	3.3
229.08565	1.5
233.09589	1.4
236.08363	1.1
241.12233	1.7
247.07294	0.8
247.09619	6.1
251.10686	4.3
269.11719	9.7
297.11160	2.9
315.12213	62.4
316.12503	1.8
333.13278	25.9
334.13577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47643	2.3
51.02345	2.4
53.03721	2.2
53.03938	26.5
55.01857	5.7
64.99328	2.3
65.03913	4.4
66.13377	2.4
67.05486	6.8
69.03394	5.0
70.06576	3.1
70.93960	7.3
79.05475	10.4
81.03403	48.3
81.07035	8.5
83.04952	3.9
84.04482	5.5
89.21293	2.4
91.05459	29.7
92.05828	3.0
93.07017	6.3
95.04951	4.7
97.02899	14.2
98.98453	22.9
105.07008	22.0
107.04884	4.5
108.05740	3.7
109.02860	85.7
111.04414	8.3
115.05445	6.1
117.06981	13.4
119.04951	7.2
119.08551	8.8
119.12156	2.4
121.06529	4.3
123.04408	36.3
124.04725	13.0
125.05965	3.6
125.07059	3.3
128.06189	7.3
129.06979	13.2
130.06464	3.0
131.04901	6.0
131.08527	34.2
133.06425	5.1
133.10110	11.2
134.07228	3.6
135.04413	19.1
137.02321	6.7
137.05978	6.1
138.05473	4.8
139.03894	22.1
140.04243	5.7
140.24881	2.6
141.06981	10.1
142.07759	6.0
143.08534	30.8
144.05663	4.5
144.09274	3.4
145.06467	11.6
145.10091	8.7
146.05983	2.9
146.07228	4.5
147.04408	11.8
147.07982	13.9
148.04781	2.7
149.05988	3.2
151.03868	3.7
152.04195	2.9
152.07112	3.8
153.05588	2.3
153.07091	7.7
154.07729	4.8
155.08501	12.0
157.10107	10.9
159.08023	62.8
159.11620	3.8
160.08839	20.5
161.09593	100.0
162.10345	5.2
163.03893	10.9
164.04225	8.1
164.07072	6.7
165.01865	6.8
165.05470	8.8
165.07144	12.3
166.07693	5.2
167.08533	15.1
168.09283	4.9
169.07579	11.1
169.10101	11.8
171.07988	6.7
177.05414	4.3
177.09038	6.9
179.08557	9.3
180.06506	37.5
180.09300	7.2
181.05049	4.6
181.06821	34.8
181.10071	7.9
183.02922	3.0
183.08327	4.5
183.11610	2.8
185.09605	13.2
185.13321	3.2
187.07497	7.5
187.11168	8.6
190.07959	2.9
192.09259	4.5
194.08087	3.6
195.08315	7.6
195.11671	30.3
197.07115	26.2
197.09593	5.0
198.07854	4.1
200.64215	2.3
203.10654	4.6
205.08559	9.2
205.10214	11.4
206.09357	51.2
207.11659	7.7
208.08795	5.0
209.07140	3.7
213.09021	2.8
213.12701	6.0
223.11156	28.6
225.08934	3.1
225.12738	6.0
227.10583	2.7
231.10176	9.7
233.09593	9.4
241.12241	24.4
243.07593	9.6
251.08279	2.4
251.10655	37.2
253.12250	3.6
269.09079	5.2
269.11691	40.3
273.08694	8.4
279.10214	5.7
282.30490	2.6
287.12952	6.0
290.05350	2.4
297.08591	3.7
297.11279	37.5
305.81445	2.7
315.09567	18.7
315.12564	78.5
316.12418	3.2
317.06561	5.1
333.11243	67.9
333.15039	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	333.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02114	0.9
51.02349	1.3
53.03934	14.2
55.01851	3.7
55.05483	3.2
56.80391	0.9
56.96560	1.0
57.03408	3.4
57.07059	5.9
59.04981	4.1
60.04508	1.0
61.02905	2.7
65.03917	1.1
67.05489	9.3
68.99775	2.3
69.03419	14.1
69.07057	6.1
70.06542	2.1
71.04964	2.7
71.69423	0.9
71.69816	1.5
72.08120	1.1
72.67471	0.8
79.05481	7.6
80.02142	0.8
81.03401	30.2
81.07036	7.0
83.01320	1.1
83.04951	3.4
83.08585	1.5
85.02890	27.2
85.06516	5.1
86.09693	5.6
87.04484	1.0
87.10009	1.2
91.03938	1.8
91.05463	16.5
93.03402	1.5
93.07031	7.8
94.65484	0.9
95.01307	1.4
95.04958	6.5
95.08595	17.6
97.02871	14.2
97.06497	3.6
98.97577	1.1
98.98438	10.7
99.04426	2.3
99.08076	5.9
99.08608	1.0
103.05441	1.0
105.03362	1.3
105.07023	13.6
106.59921	0.9
107.04922	3.3
107.08571	7.0
108.04451	1.1
108.05711	1.7
109.02857	47.2
109.06506	5.9
109.10151	11.7
111.00790	1.3
111.04433	5.1
111.08057	4.8
113.09617	15.1
115.05421	2.9
116.06165	1.1
117.07006	8.1
119.08537	6.5
120.08134	1.3
121.02837	2.6
121.06483	4.4
121.10155	1.7
122.07280	1.0
123.04413	4.3
123.08035	2.0
125.05944	2.1
125.07894	1.2
125.09589	1.0
127.03887	5.6
127.11175	15.1
128.06229	4.5
129.06978	6.4
130.07738	1.0
131.04927	3.1
131.08546	24.3
133.06458	3.5
133.10077	6.7
134.07207	1.4
135.04414	6.1
135.08025	2.6
135.11644	6.8
137.02295	4.8
137.05966	3.7
137.09576	4.2
139.03894	5.4
140.04672	1.6
141.07007	5.9
142.07729	5.2
143.08528	17.7
144.05658	1.4
144.09308	1.9
145.04961	6.0
145.06445	8.7
145.10046	6.2
146.07236	3.0
147.04369	4.0
147.08011	9.3
147.11606	1.0
149.05995	2.7
149.09622	2.1
151.03828	2.7
151.07574	1.1
152.07065	9.0
153.01816	18.5
153.05455	1.4
153.06992	2.8
153.12726	30.9
154.07764	1.6
154.10512	1.0
155.08521	7.0
155.14206	2.2
157.06499	2.1
157.10120	7.0
159.08029	38.7
159.11649	2.3
160.08812	12.3
161.05923	1.9
161.09590	60.0
162.10274	4.1
163.03876	1.3
163.07477	1.3
164.06947	0.9
165.01805	2.2
165.05498	2.4
165.06978	5.2
165.09084	2.0
166.07755	3.8
167.03368	3.4
167.08508	9.7
168.09222	2.0
169.01315	5.7
169.06387	2.0
169.10081	7.5
171.08009	3.2
171.11566	1.3
171.13805	11.4
173.05960	1.2
173.09596	2.6
173.12923	3.2
174.13135	2.9
175.07518	1.5
176.98990	1.0
177.05441	1.3
177.09061	3.7
177.12575	1.0
178.07674	1.3
179.03369	12.5
179.08583	4.2
180.09332	4.0
181.04933	1.2
181.06398	1.4
181.10017	7.8
182.07333	1.2
183.02943	1.7
183.08008	2.1
183.11664	1.1
185.09602	7.2
185.13210	2.6
187.07521	4.2
187.11081	5.0
190.07732	2.6
191.08636	1.2
191.10510	1.3
192.09291	2.6
193.04976	1.8
193.10022	2.9
195.02884	2.9
195.08000	2.7
195.11656	20.8
197.09500	2.2
197.13200	3.7
199.03900	1.4
199.11133	2.3
202.12686	1.4
203.03345	1.8
203.10657	2.0
205.08612	4.9
205.10184	7.1
206.09360	25.4
206.11337	1.2
207.02917	2.3
207.07977	1.4
207.09894	1.4
207.11693	4.8
208.08800	2.6
209.09654	2.9
213.12773	3.5
217.04912	2.6
219.02921	1.4
221.04454	3.0
223.11115	15.3
225.09094	1.4
225.12708	2.6
227.03375	2.3
227.10402	1.9
229.04921	1.1
231.06535	1.0
231.10132	7.3
233.09555	5.2
241.12164	15.3
244.03625	4.2
245.04385	3.8
247.02271	1.4
249.03796	1.3
251.10646	23.0
255.02881	3.5
259.02234	1.1
259.06006	4.4
259.13196	1.2
261.03857	2.6
267.09930	1.1
269.11688	22.0
270.09662	1.5
272.02975	1.1
273.03827	4.4
273.12039	1.2
279.10019	3.8
287.05536	9.0
287.12851	4.0
289.03381	2.7
290.04196	1.4
297.11142	24.0
300.02698	1.5
301.03427	5.7
301.11743	10.1
303.05002	5.8
304.05582	2.9
305.02777	2.1
315.05222	4.5
315.12225	53.5
316.12549	2.2
318.03656	18.2
319.03961	1.7
333.02771	3.6
333.05991	100.0
333.09546	3.4
333.13724	7.7
333.20288	1.9
334.02722	1.5
334.06195	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40448	1.7
53.03937	3.9
55.01859	2.8
55.05482	4.5
57.03440	2.4
59.79086	2.2
64.93124	2.4
66.58809	1.9
67.05496	35.7
69.03425	4.2
69.07052	4.0
69.45260	13.6
69.45685	6.4
71.04971	9.4
71.79070	1.9
79.05495	4.8
81.07045	22.8
83.04964	3.4
85.02892	2.7
86.09658	3.4
91.05468	8.3
93.07031	6.8
95.04964	7.6
95.08610	14.5
97.02887	2.1
97.06521	3.2
98.46636	1.9
98.98448	12.7
99.04416	3.5
105.07063	3.5
107.08589	5.2
109.02874	4.1
109.06525	4.1
109.10139	81.2
110.10534	2.2
119.08558	7.4
120.08143	2.7
121.10128	5.9
123.08040	2.5
125.05961	11.0
131.08559	4.3
137.09590	100.0
138.09972	2.4
143.08620	2.5
145.06456	2.3
146.38753	1.9
147.08099	2.7
149.09608	2.1
150.82402	1.8
151.07416	2.0
153.01817	6.5
155.10651	30.9
158.05952	2.2
159.08044	3.9
161.09639	4.2
165.01801	2.2
165.09091	59.0
165.10445	4.0
183.10150	17.4
195.11525	1.8
201.11192	30.3
202.11499	2.1
205.10164	2.7
241.12263	4.6
244.03696	2.0
249.69751	2.5
251.10545	2.8
269.11633	3.7
279.12311	4.9
297.13428	12.2
301.03415	3.9
303.04910	3.4
315.12534	8.2
317.02982	2.1
318.03592	12.7
333.06073	45.9
333.09900	1.8
333.13440	8.5
333.20627	4.5
333.27975	2.9
334.06342	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	334.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.4
56.05027	4.9
57.03431	1.2
57.07067	4.0
60.04516	100.0
61.04874	0.8
64.66822	0.6
67.05499	6.2
68.05012	0.7
68.94332	0.6
69.03419	4.0
69.07060	6.4
69.72114	4.7
70.06581	2.2
71.08628	2.2
72.04501	6.0
73.02914	0.8
74.06076	1.9
79.05480	3.1
81.07041	6.0
83.04967	1.4
83.08609	3.7
85.10171	0.7
86.06068	0.9
88.07629	1.9
90.05545	9.0
91.05492	1.1
93.07039	1.7
94.06561	1.5
95.08598	7.0
97.06510	0.8
97.10164	2.8
98.06056	0.7
98.20639	1.0
102.05525	2.5
107.08588	1.5
108.28360	0.7
108.77667	0.6
109.10152	2.5
111.11719	1.2
121.10128	0.7
123.11712	1.1
133.10092	0.8
135.11661	1.0
211.20497	0.9
212.23628	1.2
238.25198	0.9
242.24762	1.4
250.25351	2.0
251.23732	1.8
262.25122	1.2
280.26364	4.1
281.24619	1.6
298.27362	7.9
299.27570	0.7
306.78006	0.6
316.28433	33.3
317.28717	2.1
334.29465	49.6
335.29810	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	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01861	2.6
55.05496	2.1
65.03942	1.7
67.05493	4.9
69.03404	1.9
69.07031	1.9
70.03817	5.1
70.06578	2.9
71.96919	0.8
72.08134	1.6
79.05495	3.3
81.03384	1.3
81.07094	1.0
83.04971	4.1
84.08122	1.2
86.09711	1.4
91.05463	7.2
92.04977	1.7
93.07064	3.5
94.06540	1.1
96.04481	1.0
97.06526	1.4
98.21429	1.2
99.04430	2.3
105.07018	4.5
107.04960	1.8
108.04450	2.5
108.08088	1.0
109.06519	1.5
110.06062	1.8
110.68327	0.9
111.04446	5.2
117.07001	4.4
118.06560	2.1
119.08543	2.3
120.04479	1.3
120.08106	1.4
122.06021	4.6
123.04405	2.7
124.03880	0.9
124.07574	1.3
126.05569	1.7
128.06230	2.3
129.07011	3.6
131.08562	5.5
132.08076	1.4
133.06470	1.3
133.10143	1.9
134.06056	1.2
136.03906	1.5
136.07585	6.5
137.05969	1.4
138.05478	1.6
139.03896	7.6
139.07523	2.0
141.06967	4.1
142.07750	8.3
143.07437	1.7
143.08556	7.2
144.08080	3.7
145.06516	1.8
145.10159	2.4
146.06004	3.5
147.04375	1.3
147.08070	1.2
148.07570	1.4
149.09599	1.2
150.05482	1.8
153.01753	2.0
153.05466	1.5
155.07335	1.3
155.08539	3.6
155.11690	1.0
156.08052	2.8
157.08873	1.9
157.10120	4.0
158.08380	1.6
158.09685	2.5
159.08044	13.7
159.10143	1.2
160.07591	3.5
160.08850	6.6
161.09587	9.6
161.10674	1.3
164.07040	3.4
165.06987	3.3
166.05019	1.4
166.07776	1.6
167.08470	6.8
168.09344	1.2
169.10121	1.8
170.09676	3.1
171.06744	1.1
171.08025	1.3
171.11725	1.6
172.07541	7.0
172.10011	2.5
172.67390	1.3
173.04274	1.6
173.07173	1.4
173.10812	2.5
174.09184	2.1
175.08667	6.0
179.08545	3.1
181.10172	3.1
182.08276	1.7
183.02892	3.6
183.11627	1.2
184.07564	10.0
185.07050	1.4
185.09645	4.4
186.07748	1.5
186.09164	6.1
187.08720	2.5
187.12346	5.7
188.07063	3.6
188.09482	1.1
189.07547	1.5
189.10234	3.7
192.09323	3.0
194.10889	1.5
198.09161	12.1
199.08707	3.8
199.11270	2.2
200.07079	9.4
200.09398	5.5
200.10986	2.2
201.10231	12.2
202.08728	1.7
206.09422	1.5
207.11710	3.6
209.13258	3.3
210.07838	1.3
211.08746	3.6
212.07066	5.5
212.09036	1.1
213.06563	1.3
213.10214	2.0
213.12724	1.5
214.08859	2.1
214.10687	1.1
215.08179	3.0
215.11778	16.2
216.08762	2.0
217.09700	5.8
225.10429	2.5
225.12758	4.1
226.08755	5.9
227.08102	8.7
228.06555	3.2
228.08684	2.0
229.09712	32.2
229.11978	1.7
230.10220	1.2
231.10110	1.2
233.09290	1.2
235.11153	3.6
239.08371	1.9
241.09785	3.2
242.10469	4.1
243.11308	33.1
243.13742	2.4
245.09201	29.2
253.09683	7.3
253.12273	10.9
254.08022	1.3
257.09186	15.6
258.09952	3.2
259.10724	5.7
261.12308	1.9
269.09116	1.4
270.10138	1.3
271.10745	100.0
271.13354	18.9
272.11154	3.2
273.12338	2.9
275.10184	1.6
281.09183	12.0
281.11859	1.0
287.10239	34.9
288.11038	2.4
289.11795	18.2
299.10175	35.4
299.12738	2.9
304.10486	1.8
305.11227	6.3
317.11240	41.7
317.13974	25.9
318.11429	1.7
335.07394	3.8
335.12341	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	335.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80239	0.8
53.03930	0.9
55.01873	5.3
55.05489	1.0
57.03428	1.0
57.07064	6.2
60.17247	1.0
61.86507	0.7
67.05490	2.2
68.99778	1.2
69.03408	1.9
70.02783	5.4
70.06570	3.5
71.04998	1.0
71.06410	0.8
72.08138	2.5
73.02902	2.5
79.05476	2.8
81.07043	1.7
83.01267	0.9
83.08611	1.1
84.04470	1.2
85.02883	3.5
85.06550	3.2
87.74122	0.8
91.05450	3.1
93.07037	2.5
94.06553	1.3
95.01319	2.0
95.04939	1.7
95.08583	1.2
97.02856	2.1
97.06497	1.1
103.07562	1.8
105.06992	1.3
107.08572	2.0
110.06056	0.8
111.04489	0.9
113.02338	1.1
115.05401	1.1
116.07013	1.2
119.04910	1.3
119.08532	1.1
122.06007	2.4
123.00776	1.8
123.04398	9.3
124.04768	0.9
124.07564	3.3
131.03438	1.0
136.07573	1.5
137.02325	2.2
138.05489	2.0
139.03928	1.5
140.07051	1.7
141.01807	3.1
145.10133	1.3
147.04359	1.6
150.05482	1.6
151.03893	1.0
152.07002	0.8
153.01807	2.7
153.05452	2.9
154.04999	1.0
155.03206	1.3
155.04892	0.8
155.11862	1.2
159.10150	3.4
160.07417	1.0
162.05482	0.9
163.03941	1.6
164.07039	2.4
165.01814	2.3
166.04984	2.7
168.06596	1.3
169.01266	1.7
173.04205	4.0
174.09225	1.2
178.08627	2.6
179.03310	1.8
182.02092	1.4
182.08261	1.6
183.02879	12.0
183.04419	2.0
184.07671	1.0
184.93332	0.9
185.02179	1.3
186.07829	1.0
186.09242	1.2
187.03845	1.1
190.08743	1.1
192.02905	2.2
194.04562	1.6
195.02811	0.9
197.04385	1.1
197.10750	1.6
198.09210	1.9
199.08662	2.2
200.07237	1.1
200.09215	1.3
200.10843	1.3
201.06599	1.7
201.10258	3.9
210.04109	0.9
210.07803	2.6
212.09344	1.1
213.10184	1.5
215.08095	1.9
215.11754	2.0
216.08815	1.3
217.09662	1.4
225.03891	1.8
225.10220	3.2
226.08713	1.8
227.08101	3.6
228.10138	3.6
229.09676	5.4
230.10544	1.1
241.09659	2.4
243.07649	2.1
243.11308	6.0
245.09138	3.5
245.12840	1.5
253.09732	2.5
254.08002	1.1
255.11298	1.5
257.04507	4.6
257.09183	15.6
258.09805	1.6
261.07724	1.6
261.12122	1.2
271.10727	20.8
272.09070	2.0
274.04602	1.6
274.10599	1.4
275.10129	1.1
282.07654	0.9
287.10223	13.2
288.10864	2.1
289.03290	2.4
289.06866	2.5
289.11771	17.1
299.10196	14.3
312.65994	0.9
317.11234	100.0
318.11557	3.0
335.03818	1.3
335.07358	16.8
335.12323	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	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
59.38851	0.8
60.56034	0.7
65.03939	4.2
67.05496	5.5
69.07059	100.0
69.61729	1.7
69.62145	5.0
70.07391	0.9
79.05482	2.6
80.05021	1.8
81.07055	6.1
82.06578	1.0
83.01334	0.7
91.04256	0.9
91.05472	1.6
92.04996	4.2
93.05779	1.2
93.07032	1.4
94.06549	5.0
95.04943	1.6
95.08575	0.7
95.09310	0.7
96.08112	1.0
97.06524	16.1
98.20707	1.7
99.48576	0.8
105.07031	0.7
107.08580	1.3
108.04461	1.7
109.06509	1.1
109.10153	1.6
119.08585	1.4
120.04488	1.3
121.05261	1.1
121.06497	1.2
122.06016	8.9
124.07605	2.1
125.06018	2.0
130.06509	0.9
131.07329	0.9
132.08104	1.0
133.10123	1.2
134.06017	1.7
135.08076	1.2
137.06012	3.6
137.09633	0.9
138.05530	6.1
140.07045	7.3
143.08504	0.9
144.08078	3.2
145.08897	3.2
145.10086	1.1
146.09601	3.9
148.03957	2.4
150.05486	78.6
151.05835	1.7
152.03465	1.2
152.07161	0.8
157.08839	3.5
158.09595	1.1
159.10471	1.2
160.07594	2.0
160.11246	1.1
161.08360	4.6
162.09116	2.2
163.07635	1.2
164.03429	2.1
165.04323	1.0
166.04976	30.2
166.06380	1.5
168.06593	1.5
172.07605	1.9
172.11156	5.3
173.08403	1.9
173.09726	0.9
173.11830	0.9
174.09128	1.5
174.12772	6.7
176.03387	8.1
178.05005	2.7
182.04504	0.9
182.09669	0.9
185.08420	1.3
186.05426	1.2
186.07639	2.0
188.10689	1.0
190.08569	1.0
190.12311	4.7
194.04523	2.9
198.07863	1.3
199.06358	0.9
200.07036	1.4
200.10733	8.2
202.12251	9.7
204.06715	0.9
213.10236	1.8
216.10182	3.8
218.11742	29.6
219.12103	0.9
226.08739	0.9
228.10193	16.2
228.12199	1.2
229.13287	1.2
234.11234	3.7
243.11340	1.6
244.09723	1.6
245.05226	0.8
245.12909	2.5
245.15511	0.8
246.11240	26.3
253.09775	0.9
255.11296	1.3
257.09274	1.8
261.12271	0.8
262.10773	1.0
271.10699	5.2
272.09073	3.7
273.12231	3.5
274.10751	2.3
287.10294	8.0
289.11743	10.2
290.10220	1.7
291.70905	0.8
293.98709	0.8
299.10165	6.3
305.12012	0.8
317.11301	28.4
335.12402	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	335.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32825	12.4
53.03954	13.3
55.05489	33.8
67.05491	67.5
69.03418	46.2
69.07048	38.6
71.04980	24.7
79.05480	42.5
81.03402	23.2
81.07043	91.7
83.04971	31.2
84.66949	11.1
89.21310	11.9
91.05457	60.1
92.15539	11.6
93.07027	96.5
95.04944	47.5
95.08591	53.5
96.78058	10.6
97.06502	29.3
105.07004	66.7
107.08569	88.5
109.06498	32.8
109.10146	92.1
111.04471	16.4
117.07019	15.4
117.69109	13.0
119.08580	63.0
121.06487	48.0
121.10126	100.0
123.08040	30.6
123.11684	49.1
125.09580	39.3
127.11170	12.7
131.08545	36.4
133.10112	68.0
135.08011	58.7
135.11676	19.6
137.09599	79.4
139.11150	17.7
143.08586	19.8
145.06310	12.9
145.10068	30.5
147.11644	22.2
149.09587	39.0
151.11130	30.0
155.75919	14.3
157.10106	19.7
159.08061	24.9
159.11635	19.8
161.09610	41.2
161.13219	18.1
165.09073	15.6
173.09607	14.8
173.13271	18.1
177.09018	14.2
179.10699	22.4
193.10115	16.4
213.67624	12.9
225.12700	12.6
231.13646	15.1
253.19273	18.7
281.11810	11.9
281.18866	15.5
289.21835	13.6
299.12292	14.9
299.20059	41.8
317.13220	27.8
317.21085	55.1
335.12909	37.0
335.22098	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1483
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
53.03925	0.9
55.01854	1.2
55.05268	0.5
55.05502	4.9
57.03428	0.7
57.07049	0.7
65.03931	0.8
67.05135	0.6
67.05494	10.0
69.03419	2.5
69.03727	0.3
69.07053	4.7
70.06575	0.6
71.04987	1.9
71.70108	0.7
79.05023	0.6
79.05476	6.7
80.86899	0.4
81.03396	0.8
81.07043	7.9
83.04955	3.0
83.08578	0.7
85.02873	0.4
85.06510	0.8
86.09708	3.8
87.04448	0.5
91.05463	9.7
92.30328	0.4
93.07033	7.7
94.06577	0.4
95.04955	5.1
95.08586	7.2
97.02846	0.8
97.06516	3.0
99.04405	1.8
103.05414	0.4
105.03374	0.4
105.07009	9.5
107.04923	1.1
107.08577	6.2
109.02834	0.6
109.06511	2.8
109.10145	5.7
111.04420	2.0
111.08061	0.7
113.05954	2.0
115.05441	1.7
117.06995	6.1
119.08578	5.2
120.04449	0.5
120.08095	2.8
120.08834	0.5
121.02899	0.5
121.06495	1.7
121.10127	4.4
122.05969	0.4
122.74940	0.4
123.04405	0.8
123.08069	2.3
123.11689	3.3
125.05948	1.2
125.09631	1.2
127.07526	1.2
128.06165	2.3
129.06985	6.8
130.07799	0.5
131.04936	1.2
131.08549	7.9
133.06470	1.3
133.10114	5.2
135.04367	0.4
135.08035	6.0
135.11682	2.3
136.07561	1.2
137.05940	0.7
137.09587	4.1
139.03864	1.5
139.07526	1.5
139.11159	1.2
141.05446	1.7
141.06902	2.4
141.09094	1.5
142.07732	4.4
143.08542	12.9
143.11766	3.2
144.09142	0.5
145.06435	2.3
145.10101	7.0
147.08054	1.3
147.11665	1.5
149.09546	2.1
151.07524	1.1
151.11156	1.2
152.06187	0.6
153.01767	0.7
153.06996	0.7
153.09129	1.3
153.12769	0.9
154.07719	2.0
155.08537	4.5
155.10527	0.4
156.09267	0.4
157.06464	0.6
157.10103	25.8
158.10567	1.3
159.08049	3.9
159.11664	7.2
160.08795	1.2
161.09610	5.4
161.13248	0.8
163.07555	1.0
163.11143	1.4
164.07057	1.4
165.07007	1.2
165.09074	2.1
166.08766	0.8
167.08536	26.8
168.08937	2.2
169.08659	0.7
169.10101	9.6
170.10826	0.4
171.08011	2.0
171.11536	2.4
172.08659	0.6
173.09595	2.6
173.13260	1.3
174.10054	0.5
175.07520	0.8
175.11172	1.7
177.09004	1.9
179.06989	1.3
179.08554	2.6
179.10686	1.1
180.09296	0.9
181.08578	0.9
181.10110	4.8
181.12178	0.7
182.08154	1.2
182.10820	0.5
183.08067	0.8
183.11679	2.7
185.09583	15.7
185.13173	2.4
186.10107	0.5
187.07590	0.5
187.11151	6.5
187.14845	0.8
189.09082	1.4
189.12729	0.5
191.10652	1.3
192.09370	0.8
193.10132	0.6
194.08102	0.9
194.10828	0.8
195.07996	1.4
195.09944	0.4
195.11745	0.9
197.09621	1.5
197.13242	1.8
199.11165	1.7
199.14795	2.3
201.09109	1.1
201.12741	0.8
201.16237	0.7
203.10625	3.6
203.14381	0.9
205.08562	0.8
207.08240	0.5
207.10013	0.4
207.11734	2.7
207.13533	0.7
209.09618	0.9
209.13268	1.5
211.11261	2.1
211.14809	0.9
213.09036	2.6
213.12680	1.6
215.10648	1.5
215.14165	1.0
217.12198	0.7
219.13847	0.9
225.09090	1.7
225.12726	3.6
227.10667	0.5
227.14223	1.9
229.08673	0.4
229.12228	4.0
229.15855	1.0
231.10146	9.7
231.13695	0.6
233.15317	0.6
235.11133	2.4
237.12729	0.4
243.10081	0.6
243.13780	6.9
245.11787	0.5
245.15407	1.2
247.13275	1.0
249.11215	5.2
249.13803	0.5
249.14726	0.4
251.16426	1.1
253.12234	8.0
255.13916	0.7
271.10336	0.4
271.13223	11.2
271.16202	0.6
271.20480	0.8
272.13486	0.6
273.14893	1.0
275.12766	1.5
281.11713	0.8
281.18796	0.5
287.10172	0.5
289.07803	0.4
289.10727	2.5
289.14343	2.3
299.12759	2.6
299.20026	1.2
303.04340	0.4
307.11789	5.1
317.13834	18.6
317.21030	3.2
318.14008	1.2
335.06955	2.4
335.14850	100.0
335.21924	4.3
336.15179	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	335.1483
Annotation	(-)-Tetrodecamycin
Peak:m/z	Relative Intensity
52.07569	0.9
53.03939	1.2
55.01860	3.2
55.05499	2.7
56.92954	0.9
57.03431	1.0
57.07066	0.9
57.50892	1.1
59.34523	0.9
59.53265	0.9
65.03924	2.6
65.32795	0.9
67.05502	9.7
69.03427	7.7
69.07044	4.1
70.79891	2.0
71.04975	4.1
79.05474	10.0
81.03410	16.1
81.07040	10.4
82.59749	0.9
83.04962	4.8
85.06532	2.6
86.14229	0.9
91.05454	11.0
93.03399	4.2
93.07037	11.2
95.04950	13.3
95.08592	7.5
97.06532	2.5
98.87044	1.0
99.04428	1.0
101.50986	1.0
105.07012	10.3
107.04974	3.4
107.08564	9.1
109.06501	5.5
109.10149	7.0
111.04421	2.8
111.08044	6.1
115.05444	1.4
116.06290	1.2
117.06996	4.8
119.08581	9.2
121.02847	18.0
121.03667	1.7
121.06493	4.8
121.10113	5.0
123.08083	3.3
123.11651	2.2
125.05965	1.3
125.09606	2.3
127.11156	1.6
128.06221	2.7
129.06989	4.3
131.04817	1.5
131.08548	14.9
133.06462	2.5
133.10106	10.9
135.04454	1.1
135.08040	6.9
135.11662	2.3
137.05957	2.4
137.09602	5.0
138.35793	0.9
139.11134	1.7
140.06949	0.9
141.06978	5.6
142.07733	1.5
143.08537	10.3
144.05663	2.1
145.06485	4.2
145.10097	6.4
146.07179	1.2
147.04466	1.0
147.08005	3.7
147.11624	2.4
149.05956	2.8
149.09596	3.8
150.43985	0.9
151.11186	4.0
153.06923	1.5
154.07816	1.1
155.08542	5.4
157.06378	1.3
157.10077	7.3
159.08028	42.9
159.11627	2.4
160.08363	2.3
161.05931	1.6
161.09610	9.4
161.13272	1.2
163.07532	1.5
163.11246	1.5
165.06990	2.6
165.09131	2.0
166.07706	1.2
167.08557	7.6
167.10646	1.0
169.06447	1.5
169.10106	3.6
171.08032	3.6
171.11665	3.2
173.09589	2.0
173.13269	1.2
175.07622	2.1
175.11147	1.7
177.09065	6.4
178.07721	1.7
179.08568	4.4
179.10646	2.8
181.10031	4.6
182.10725	1.3
183.08022	3.3
183.11661	3.5
185.09581	3.7
185.13304	1.1
187.07564	2.4
188.48453	0.9
189.09129	1.3
189.12834	2.0
191.08568	1.4
192.09250	6.5
193.10127	2.7
195.08150	2.2
195.11694	1.8
197.09619	3.5
197.13220	3.5
199.11116	1.7
199.14867	1.1
201.12660	1.4
202.07745	3.5
203.08362	1.2
203.10556	1.8
205.08575	4.0
207.11673	9.6
207.13664	2.2
209.09621	2.0
210.10240	1.4
211.07475	1.2
211.11159	4.0
211.14938	1.2
213.09123	1.1
213.12822	1.3
215.14191	1.6
217.10219	6.1
219.08121	1.2
220.08836	4.5
220.99760	1.1
221.09564	1.3
225.09135	1.2
225.12720	10.9
231.13800	1.1
235.11150	13.9
236.11520	1.3
237.12627	1.5
243.13832	2.0
253.12163	13.0
255.13768	2.0
261.14783	11.4
271.13232	12.3
281.11694	7.7
289.14285	8.9
299.12680	9.0
299.19919	3.1
307.15341	52.7
308.15781	3.3
317.13797	100.0
317.21170	6.3
318.14120	7.7
335.14954	10.5
335.21985	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	335.2209
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
50.87658	2.2
51.40903	2.1
51.86912	2.5
55.05508	14.5
56.00289	2.3
57.07058	3.5
59.04975	3.8
62.10484	2.0
62.62257	2.5
67.05491	47.9
67.33939	2.2
69.03416	41.7
69.07059	13.7
69.97025	7.3
69.97460	7.0
70.96252	2.2
71.04990	18.1
74.29099	2.0
78.59411	2.0
79.05484	21.3
81.07045	55.4
83.04974	10.1
83.08614	5.7
85.06538	8.1
91.05479	25.7
93.06447	2.2
93.07027	41.8
95.04973	19.1
95.08591	51.3
96.45506	2.6
97.06514	15.6
97.10182	4.7
98.18455	2.3
98.21362	3.6
99.04430	5.0
99.08089	2.9
105.07015	42.5
107.04957	5.2
107.08574	54.8
107.09241	4.2
109.06522	15.1
109.10138	100.0
111.08080	3.9
113.09653	9.1
117.06985	4.7
119.08551	35.3
121.06480	11.3
121.10133	43.4
123.04438	13.3
123.08063	18.8
123.11687	18.7
125.05972	4.1
125.09596	16.2
128.06221	3.5
129.06934	3.9
131.08539	15.9
133.06464	3.7
133.10117	29.0
135.08035	19.3
135.11655	22.1
137.09593	42.8
139.07591	3.0
139.11166	11.2
141.06963	3.3
142.07790	4.5
143.08521	11.3
145.10103	22.1
147.08014	7.0
147.11662	17.6
149.09605	23.0
149.13243	3.1
151.11137	20.5
153.09113	3.7
155.08472	4.5
155.10686	2.7
156.09279	2.4
157.10094	18.1
159.08022	6.3
159.11639	17.0
161.09587	17.7
161.13246	3.2
163.07579	2.3
163.11140	6.8
165.09055	14.8
167.10664	9.7
169.10098	12.0
171.11699	8.6
173.09602	11.6
173.13274	12.6
175.11153	19.0
175.14752	3.2
177.09088	10.0
177.12762	3.7
179.10689	8.7
181.12209	4.3
183.11670	3.6
185.09579	3.3
185.13232	11.3
187.11093	5.3
187.14847	10.6
188.10851	2.7
189.12735	7.2
189.16441	3.2
191.10632	4.4
191.14259	4.4
195.10170	4.0
197.13254	8.5
199.11162	2.2
199.14818	7.9
201.12694	6.2
201.16451	5.1
203.14313	4.9
207.13831	3.2
211.14777	9.5
211.16710	3.8
213.12746	9.7
213.16376	4.2
215.14331	9.7
219.13805	2.4
222.28252	2.7
229.15968	10.7
233.15353	5.6
241.15826	4.3
247.16924	4.4
253.19473	3.8
257.18945	4.3
271.20514	9.1
281.19016	10.5
289.21573	10.2
299.20026	23.4
317.21054	33.3
335.22134	23.7
336.22729	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	335.221
Annotation	Topsentolide B1
Peak:m/z	Relative Intensity
53.03921	3.7
55.05503	11.8
57.03434	1.9
57.07059	9.9
58.06586	2.4
59.04993	3.0
67.05494	32.2
69.03416	26.0
69.07043	14.7
69.21239	1.7
69.48560	1.6
70.06582	16.4
70.26050	4.4
70.26448	3.4
71.04982	12.9
71.06901	5.2
77.06044	1.7
79.05465	18.4
81.07043	39.1
83.04965	19.2
83.08582	3.9
84.38303	1.8
85.06509	5.6
86.09683	14.1
88.07619	23.9
89.07941	7.0
91.05468	22.1
93.07031	30.2
95.04953	11.6
95.08585	39.8
97.06512	10.9
97.10172	4.0
99.04448	3.6
99.08128	2.3
102.09172	13.8
103.05436	4.2
103.09500	3.4
105.07010	29.6
107.04913	4.5
107.08572	41.2
109.06491	15.6
109.09405	3.7
109.10139	70.9
113.09613	6.0
117.06966	6.1
119.08551	31.1
120.08069	37.8
121.06462	12.0
121.10122	30.7
123.08054	15.1
123.11675	13.9
125.05946	3.9
125.09582	11.9
128.10699	3.9
129.06956	3.3
130.07637	2.1
131.08531	16.3
132.22949	1.8
133.10109	19.5
135.08038	16.3
135.11655	17.5
137.09593	30.6
139.11136	7.2
142.07747	3.5
143.08528	6.0
145.06496	2.2
145.10091	19.6
147.08008	8.9
147.11664	13.5
149.09602	17.3
149.13185	2.7
151.11168	14.3
153.09109	3.1
153.29330	2.0
155.08530	4.1
155.10609	2.9
156.09184	3.1
157.10078	8.0
159.08080	3.6
159.11646	14.3
160.08824	3.0
161.09613	10.9
161.13228	5.3
163.07530	3.0
163.11127	5.0
165.09047	7.8
167.10663	6.9
169.10077	4.8
171.11633	6.4
173.09639	8.6
173.13225	8.9
175.11176	11.0
175.14711	2.4
177.09105	5.0
179.10654	5.4
180.10162	22.0
182.10884	3.3
183.11667	3.7
185.13211	6.0
187.11124	5.5
187.14810	7.3
189.12720	6.5
191.10661	4.9
197.13232	6.4
199.11259	2.3
199.14752	4.2
201.12698	4.4
201.16354	3.9
203.14209	2.6
207.13730	4.5
211.11218	3.5
211.14824	6.6
213.12614	5.0
213.16399	3.6
215.14233	8.3
217.15804	2.4
219.13797	3.8
227.14279	2.5
228.23128	13.1
229.15831	7.4
229.23515	47.2
231.13629	2.4
233.15309	4.6
239.14267	4.0
241.15858	3.2
243.13988	2.0
247.16937	3.6
253.19351	3.4
257.18945	3.8
271.20486	9.3
281.18930	6.3
289.21564	6.8
299.20001	21.9
317.21100	19.8
317.28763	3.9
325.95541	2.2
335.22336	14.8
335.29776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02358	1.2
53.03933	4.4
55.01854	1.0
55.05501	26.2
57.03159	1.4
57.03426	24.7
57.07048	2.6
62.97718	0.8
65.03932	3.8
67.05492	96.0
69.06690	1.1
69.07056	22.2
69.44992	7.7
71.04964	2.7
79.05476	49.1
81.03385	0.8
81.07041	85.8
82.99237	0.8
83.04964	1.9
83.08605	9.1
85.06503	1.5
91.05459	24.5
93.07026	51.7
95.04955	6.3
95.08586	68.3
97.06503	2.6
97.10136	3.1
98.20653	1.4
105.06343	1.0
105.07017	14.8
107.08577	27.0
109.06504	1.6
109.10136	28.2
110.23411	0.7
111.08073	2.4
117.07008	4.7
119.08556	12.6
121.10123	19.2
123.08024	2.7
123.11675	8.4
131.08536	7.7
133.10092	8.6
135.11671	14.0
137.09575	1.1
137.13249	1.8
139.11063	0.8
139.72112	0.8
145.10094	5.6
147.11670	5.8
149.13232	6.2
155.60371	0.8
159.11661	3.2
161.13191	3.5
163.11176	1.3
163.14812	2.1
165.12761	1.4
173.13144	4.3
175.14819	1.8
177.16246	1.0
187.14761	2.5
201.16454	1.2
217.19720	0.7
219.81566	0.8
243.21042	2.6
255.49542	0.8
261.22052	5.7
335.25735	100.0
336.26077	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	2.4
55.05283	1.5
55.05502	18.1
57.03425	23.4
57.07066	2.4
65.03915	3.7
67.05493	72.9
68.05826	1.3
69.07052	16.3
71.04974	1.8
71.19205	1.4
71.39983	1.9
79.05479	38.7
81.07044	83.8
83.04955	1.7
83.08604	6.6
91.05464	21.5
93.07030	45.0
94.97824	1.3
95.04964	2.9
95.08588	66.5
95.62199	1.4
96.08926	1.2
97.06520	2.5
97.10143	4.1
100.66982	1.4
105.07002	16.0
107.08572	25.3
109.10142	30.5
117.07003	5.3
119.08546	13.8
121.10130	22.3
123.11699	10.2
131.08556	10.0
133.10118	8.2
135.11665	18.8
137.09491	1.5
137.13220	3.1
139.66187	1.3
145.10126	8.2
147.11661	7.2
149.13237	12.7
159.11676	6.9
161.13246	5.6
163.14784	3.9
165.12805	1.8
171.08273	1.3
173.13203	4.9
175.14859	3.1
177.12685	2.0
187.14847	2.7
205.20270	1.6
223.37582	1.3
232.56216	1.4
243.21124	6.0
245.67952	1.2
261.22165	13.0
335.25754	100.0
336.26068	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03944	5.0
55.01855	1.2
55.05505	23.3
56.91608	0.9
57.03159	1.8
57.03429	27.4
57.07054	2.3
62.50586	0.9
65.03924	4.6
67.05495	100.0
69.07059	24.9
69.95804	3.5
69.96238	3.1
71.04967	2.8
79.05482	50.5
81.03410	1.9
81.07043	88.3
83.04967	2.4
83.08610	7.6
85.06509	2.7
91.04919	1.9
91.05464	26.3
93.07031	55.2
95.04954	6.1
95.08592	70.2
96.08940	1.2
97.06509	3.6
97.10132	2.8
99.08090	1.5
105.07008	15.1
107.08577	24.2
109.06516	2.4
109.10143	26.2
110.96517	1.0
111.08054	2.2
117.07002	3.9
119.08551	10.0
121.10123	22.7
123.08070	1.8
123.11700	7.6
131.08554	8.9
133.10109	7.1
135.11664	10.4
137.13249	2.7
145.10118	5.8
147.11664	5.0
149.13248	4.8
159.11673	3.2
161.13190	4.7
163.14783	3.1
173.13264	4.2
175.14774	1.6
177.16437	1.1
187.14839	2.3
191.14259	1.1
243.21082	2.7
261.22086	4.3
335.25766	87.0
336.25998	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.81364	2.1
53.03930	3.7
53.49978	2.3
55.05498	21.8
57.03187	2.9
57.03430	25.0
61.25339	2.6
61.73766	2.9
64.33748	2.7
65.03907	4.9
67.05495	91.5
68.00851	2.4
69.07046	20.8
69.36755	28.6
79.05480	48.1
81.07046	83.2
81.54141	2.2
83.08593	8.2
91.05444	21.8
93.07030	48.0
95.04920	7.1
95.08010	4.0
95.08595	66.4
97.06496	2.6
97.10141	5.5
105.07024	14.7
107.08578	25.5
109.10149	29.7
117.06995	5.8
119.08542	12.3
121.10121	25.4
123.11631	11.5
131.08505	12.0
133.10086	9.0
135.11699	14.3
137.13190	2.9
145.10178	5.1
147.11685	5.9
149.13205	5.2
159.11655	5.7
161.13196	4.3
163.14819	2.6
173.13239	4.8
187.14842	3.5
201.16310	2.9
243.21019	3.9
261.22131	6.9
273.38742	2.2
298.75269	2.7
312.46631	2.6
326.83871	2.5
333.40945	2.6
335.25714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03935	2.8
55.05503	20.5
57.03426	19.6
57.07040	3.3
63.02999	1.4
65.03912	4.6
66.69139	1.3
67.05492	100.0
69.07051	17.3
70.09013	2.1
70.09296	8.0
71.04973	1.7
79.05025	2.1
79.05481	40.1
81.07042	85.5
83.04944	2.1
83.08607	7.3
91.05461	21.4
93.06432	1.8
93.07027	45.3
95.04933	4.6
95.08588	65.7
97.06490	2.6
97.10140	3.8
99.51786	1.3
105.07019	12.9
107.08572	21.5
109.06480	2.0
109.10141	25.9
111.08046	1.8
117.06975	2.8
119.08550	11.3
121.10121	21.2
123.11703	8.9
131.08537	7.1
133.10117	8.0
135.11687	13.3
137.13229	2.7
145.10086	5.7
147.11658	6.1
149.13211	6.8
159.11647	4.4
161.13210	4.5
163.14792	3.5
173.13248	4.9
187.14906	1.8
243.21059	2.8
261.22040	9.4
289.69543	1.6
335.25717	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03925	5.2
55.01870	1.6
55.05241	1.1
55.05505	21.7
56.22953	1.4
57.03160	2.3
57.03428	29.0
57.03703	2.0
65.03914	4.9
67.05494	91.4
69.07056	22.6
70.12206	6.9
71.04978	2.6
75.20569	1.4
79.05022	2.3
79.05480	48.0
81.07042	93.3
83.04936	2.7
83.08617	10.2
85.06508	2.6
91.05457	23.5
93.07031	55.2
95.04939	5.4
95.08591	70.0
97.06492	3.7
97.10137	3.9
105.07006	15.3
107.08580	30.3
109.06512	2.4
109.10136	27.7
111.08015	1.4
117.07021	6.7
119.08576	14.7
121.10124	23.0
123.08054	2.1
123.11710	8.7
123.32127	1.2
129.05479	1.3
131.08548	9.5
133.10088	9.3
135.11684	18.4
137.13245	3.1
145.10123	5.9
147.11659	6.3
149.13243	7.3
150.05914	1.1
159.11671	5.6
161.13225	5.9
163.14787	3.5
173.13222	5.7
175.14662	1.8
177.16357	1.4
185.04025	1.3
187.14822	4.1
191.76295	1.2
192.88353	1.1
202.60252	1.2
243.21094	4.8
261.22025	8.3
279.23041	1.9
317.24783	2.6
335.25742	100.0
336.26025	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	337.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	77.5
70.01696	3.8
70.02106	6.1
70.98112	29.5
71.95255	3.3
72.96014	2.1
74.97590	4.2
84.96028	9.0
88.99142	21.1
89.87874	1.8
97.95853	1.9
98.97564	100.0
107.00189	5.4
110.97549	26.9
112.99123	23.7
115.00699	2.9
116.98600	54.9
116.99384	3.7
124.95441	8.3
128.98587	46.0
131.00143	34.1
133.01711	5.1
134.99643	26.3
140.98573	6.3
142.96494	10.4
143.00165	6.8
144.98042	2.3
145.01680	2.6
146.99626	54.5
149.01196	18.3
152.94873	3.4
153.00626	1.7
156.98068	2.6
158.99617	23.4
159.00798	2.4
160.97540	6.7
161.01228	6.0
165.00700	31.8
170.96017	14.7
170.99620	8.5
172.97543	3.5
173.01144	9.9
174.99117	10.4
175.02768	6.6
177.00728	15.5
183.01762	4.7
184.03365	2.6
184.97536	9.5
186.99115	4.7
188.97029	35.7
189.00671	37.8
190.98531	4.1
191.02167	10.4
193.00154	10.6
193.03841	5.4
198.99083	2.4
200.15182	1.8
201.00664	4.0
202.98605	27.8
205.00203	13.4
206.98070	20.7
207.01732	26.3
211.04761	2.1
212.96985	8.6
217.00278	8.9
217.03745	2.1
219.01727	22.5
220.99651	18.2
223.01236	13.5
224.99162	3.1
225.02805	2.9
230.98087	59.3
232.99687	5.8
235.01283	12.3
235.04834	2.4
237.02783	43.4
239.00616	3.5
244.99660	27.9
247.01389	2.9
248.99100	20.6
249.02669	3.2
253.99541	2.4
255.03964	3.1
256.05429	2.1
263.00708	97.3
264.01117	2.3
267.03860	4.1
275.04382	7.5
277.02295	28.6
277.05954	15.2
278.38870	1.8
281.01724	18.2
281.04755	3.0
286.02374	5.1
293.05365	6.9
295.03351	10.4
295.06982	53.7
305.01974	3.9
337.04089	4.1
337.08109	47.7
355.09122	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	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	79.8
60.20385	0.9
70.98103	26.6
71.95242	4.5
72.96026	1.6
74.97595	3.4
82.30870	0.9
84.96019	9.4
85.02873	1.8
88.98597	1.1
88.99137	17.6
97.02866	1.8
98.97563	100.0
100.99148	1.3
107.00159	1.6
110.96783	1.3
110.97551	32.4
112.99111	49.7
115.00658	1.8
116.98601	54.4
124.95461	7.4
124.99133	1.4
125.99123	1.6
128.98581	42.0
131.00146	61.1
133.01685	4.1
134.99634	16.0
135.07469	1.1
137.19975	1.0
140.98604	6.2
142.96500	10.2
143.00136	3.9
144.98055	1.9
145.01700	4.3
146.99625	40.4
149.01198	27.7
152.98587	2.9
153.00597	1.0
154.01720	1.7
155.01242	2.3
156.98045	3.1
158.01273	1.1
158.99625	15.4
160.97600	5.3
161.01184	6.2
162.99150	1.2
163.02705	1.9
164.01729	1.6
165.00696	25.2
167.02254	1.9
168.97966	1.0
170.01598	1.1
170.95979	11.7
170.99634	7.9
172.97565	1.2
173.01181	12.3
173.98293	1.3
174.99144	9.6
175.02682	5.8
177.00670	12.5
178.04942	2.4
179.02310	1.5
183.01646	1.9
184.03258	1.5
184.97549	6.3
186.99100	3.3
187.02774	1.4
188.97043	33.0
189.00668	17.9
190.98575	3.5
191.02217	12.6
193.00159	8.6
193.01700	1.1
193.02231	1.1
193.03777	7.3
201.00653	3.3
202.98595	14.7
205.00171	8.9
206.02815	3.4
206.98106	18.9
207.01672	12.8
209.03520	1.0
211.04860	3.5
211.98788	1.3
212.97058	3.2
214.98529	2.1
215.03339	1.4
217.00134	4.6
217.03717	1.8
219.01721	26.3
220.99673	8.9
221.03223	1.3
223.01253	5.1
224.99104	2.5
230.98090	27.0
232.99631	3.4
233.03250	5.3
235.01184	6.1
235.04846	1.6
237.02779	38.6
239.00685	3.0
244.99635	16.7
247.01251	1.9
248.99153	9.6
249.02791	1.9
255.03780	2.6
256.05377	3.8
257.03046	1.1
263.00729	43.5
263.03854	2.1
264.01007	1.2
267.03827	2.0
275.04282	6.1
277.02271	14.2
277.05908	9.4
281.01758	7.6
281.05365	5.9
286.02298	2.9
293.05435	8.7
295.03326	5.4
295.06934	23.4
304.39294	1.0
305.01773	3.3
319.65338	1.1
323.02701	1.3
337.08438	57.0
337.58044	2.2
338.08942	1.5
355.09045	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	337.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	8.4
70.98119	3.2
72.45966	2.5
98.21576	4.6
98.97535	13.3
112.99112	5.7
116.98590	8.0
128.98579	5.8
131.00133	9.2
142.87756	2.5
146.99614	4.7
149.01181	5.0
173.01221	2.6
174.99146	7.7
189.00838	2.8
193.00272	5.5
211.01340	2.6
217.00220	3.6
219.01779	3.0
237.02809	5.8
247.01085	2.5
263.00735	3.7
337.08859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05482	3.5
55.60409	1.0
63.64588	1.1
65.03920	3.7
65.46596	1.1
67.05482	3.7
69.03406	2.3
69.07047	4.6
70.06582	2.3
70.07381	1.3
74.33746	1.1
79.05471	3.1
81.07037	7.2
83.04976	1.8
83.08571	1.8
91.05458	5.6
92.04991	3.6
93.07007	2.9
94.06525	2.0
95.04940	3.8
95.08587	2.8
97.05270	1.3
97.06502	1.6
100.42313	1.2
105.07006	4.5
107.04933	2.9
107.08584	2.5
108.08089	2.3
109.06479	5.6
109.10123	2.4
111.04443	1.8
111.08057	1.1
114.37142	1.2
119.08542	3.4
120.04428	4.5
123.11668	1.4
124.07554	2.0
126.09134	85.6
127.09456	1.6
133.10092	2.7
135.07999	1.3
136.03922	1.4
137.09581	1.4
137.17500	1.3
138.05501	14.6
138.09084	1.9
139.11142	1.7
145.06480	1.5
145.10072	1.8
147.11722	2.0
148.03903	12.2
150.05505	9.5
150.12419	1.1
151.11214	1.2
154.04956	1.7
159.11679	1.4
163.03903	5.2
166.04974	100.0
167.05293	3.0
168.13748	1.3
188.54832	1.2
194.04468	56.9
195.04861	1.5
212.05498	23.4
214.14348	3.3
225.10088	1.5
226.10973	3.3
227.11711	4.8
243.07597	2.5
255.11197	2.9
270.09973	5.5
271.10690	4.2
272.11432	8.6
273.12335	10.2
273.14828	2.1
283.10782	3.5
289.10510	1.4
293.13779	1.7
301.11783	48.9
301.21655	1.8
302.12128	2.4
319.12637	7.6
337.10114	2.5
337.13943	1.7
337.23868	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	337.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
56.96547	12.9
58.12894	1.7
60.04504	4.8
65.03921	3.6
67.05507	9.3
69.03400	5.6
69.07067	2.3
70.06569	5.4
70.84611	5.4
79.05476	3.8
81.03415	2.0
83.04960	6.1
84.08137	2.0
85.77117	1.8
89.03893	3.8
91.05458	3.4
93.03380	2.9
93.06994	2.0
94.06560	15.3
95.04935	10.1
96.08091	2.1
97.02869	2.7
98.06030	2.3
98.97546	5.3
106.06541	2.3
107.04928	2.5
107.07333	2.8
108.08096	7.0
110.06055	4.2
110.09641	3.6
111.04406	6.6
116.98595	4.7
117.03348	5.7
120.08092	4.3
122.05995	10.1
123.04420	5.7
127.03889	5.7
134.06024	3.8
134.99570	2.0
135.04402	19.5
136.07571	6.8
137.05948	2.9
138.05472	8.8
138.09142	12.3
139.03882	23.7
145.02814	5.6
146.09589	1.9
148.07585	2.3
149.01268	2.2
151.03859	6.1
152.07030	3.0
154.06465	2.3
155.03407	2.2
156.06551	16.6
157.08826	2.8
158.09653	2.8
161.07117	4.6
163.03896	58.7
164.04295	4.4
164.07043	15.7
167.07283	4.6
169.08829	3.6
172.11183	2.2
174.09154	2.4
179.03377	3.0
180.06593	2.7
181.04951	4.1
182.08165	5.1
182.09625	9.4
184.11272	4.3
186.09154	5.5
187.09889	2.1
188.10664	4.0
193.04323	2.8
193.07553	7.5
194.08344	8.5
196.09904	2.1
197.01102	3.3
197.10757	2.1
198.09123	2.5
200.10765	3.8
202.08597	7.2
202.12300	4.6
208.10004	4.2
209.10696	23.4
210.09109	20.5
210.10938	3.7
212.09128	3.1
212.10851	2.9
214.08580	13.6
215.09396	7.2
216.10201	2.6
222.07814	5.0
224.09349	2.3
225.10164	2.7
227.11790	2.6
228.10167	4.8
230.11681	7.7
232.09578	6.2
233.10239	2.9
234.11095	9.1
236.09283	2.3
237.10207	33.3
239.11745	4.1
240.10138	7.9
241.09789	2.8
242.08095	3.2
243.01764	2.3
243.07590	5.6
245.04512	3.2
255.07599	2.6
255.11253	3.2
256.09631	3.7
257.04495	3.1
257.12802	6.5
258.11267	14.6
260.09116	18.0
265.09677	58.9
266.10016	2.2
273.12360	3.6
274.10797	6.1
275.10193	2.2
275.13898	4.1
276.09225	2.6
276.12262	38.7
278.10300	3.8
283.10733	100.0
283.13870	4.8
284.09180	8.5
288.10910	3.3
301.11810	75.5
302.09946	15.0
319.12820	39.7
320.10944	10.3
337.09177	18.5
337.13907	37.9
338.09399	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	337.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.5
55.01851	6.5
55.05272	2.1
55.05502	23.5
57.03428	18.4
57.06804	1.6
57.07065	21.4
61.02894	3.3
67.05489	24.2
69.03417	21.7
69.07062	17.1
69.46478	2.0
69.46795	17.9
71.01328	2.6
71.04984	12.9
73.02908	11.8
73.06527	3.8
75.04466	2.0
79.05481	34.9
81.03384	5.3
81.06609	2.7
81.07051	42.0
83.04981	10.3
83.08603	10.3
85.02870	11.6
85.06532	22.5
86.67825	1.8
87.04428	2.9
91.05464	18.6
93.07027	15.0
95.04948	6.3
95.08599	14.3
97.06505	7.5
99.04444	6.2
99.08063	6.1
103.03924	6.0
103.07545	4.5
105.07018	5.5
107.08547	10.5
109.06495	21.3
109.10161	3.6
111.04432	7.9
111.08059	31.9
113.05943	1.9
115.03909	4.8
115.07562	4.5
117.06960	2.2
119.08562	1.9
121.10107	3.8
123.08031	5.0
125.09636	7.9
127.07536	13.3
129.05435	2.8
129.09093	3.3
133.09172	3.0
133.10103	36.2
134.10455	2.3
135.08032	6.2
141.09073	3.0
149.09592	100.0
150.10040	2.2
153.09076	21.9
171.10141	25.2
189.11191	6.0
313.37613	2.0
337.27252	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	337.2368
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
55.05499	17.2
57.03439	3.9
57.07065	8.8
59.04979	7.5
62.02493	3.9
62.86124	4.4
67.05490	50.4
67.26267	4.4
69.03420	6.5
69.07052	21.9
70.42630	8.4
70.42984	15.7
71.04992	32.6
77.18306	4.2
79.05482	20.3
81.07047	76.0
83.04977	6.3
85.06534	9.8
91.05453	13.0
93.07026	46.4
95.04950	15.5
95.08600	50.8
95.18654	4.4
97.06508	11.4
99.08102	7.2
105.07024	35.7
106.64311	4.0
107.08586	40.5
109.06492	15.9
109.10126	85.1
113.09635	15.9
117.06961	6.3
119.08540	37.7
121.06527	13.4
121.10148	30.4
123.08108	7.8
123.11691	100.0
125.09631	22.4
127.11178	12.2
131.08549	16.3
133.10107	39.7
135.07988	6.3
135.11693	16.4
137.09550	23.1
137.13251	6.2
139.11162	12.8
142.07832	5.6
143.08565	9.9
145.10118	26.3
147.08057	11.5
147.11679	17.7
149.09602	14.2
149.13252	6.0
151.11174	15.9
153.12761	7.2
157.10071	22.3
159.11684	13.1
161.09634	22.6
161.13310	9.0
163.11121	6.7
165.09067	15.3
167.10661	8.4
171.11655	13.2
173.09605	10.8
173.13272	16.2
175.11189	25.4
177.09094	8.3
179.10728	5.4
187.14819	17.3
197.13281	6.8
203.14362	6.5
213.16393	20.0
215.14345	20.1
229.15929	7.4
231.17464	14.8
249.18388	5.4
259.20450	5.7
273.22089	15.0
283.20505	11.2
291.23181	11.8
301.21567	57.4
319.22717	49.2
337.23807	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	337.2367
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
55.05497	13.9
57.07052	5.8
57.41650	3.1
58.93063	3.0
67.05494	45.6
69.03407	12.1
69.07053	25.1
71.04979	37.5
79.05472	17.3
81.07041	86.1
83.04947	13.2
83.08583	9.3
84.75240	4.0
85.06522	10.7
91.05453	16.4
93.07030	39.2
95.04939	11.9
95.08083	4.7
95.08597	49.8
97.06496	10.2
97.10155	4.5
99.08051	7.8
101.06036	4.4
105.07001	34.5
107.04939	3.3
107.08572	51.3
109.06477	13.6
109.10137	89.7
111.08051	5.3
111.11722	3.3
112.38803	3.6
113.09612	11.3
117.06971	4.6
119.08574	35.3
121.06453	12.9
121.10123	31.3
123.08018	8.2
123.11684	100.0
125.09607	26.8
127.11160	16.6
131.08527	13.0
133.06548	3.7
133.10097	33.9
135.08014	7.4
135.11676	16.9
137.09613	22.9
139.11140	13.9
143.08563	9.7
145.10115	17.8
147.08026	4.7
147.11684	20.4
149.09581	13.9
149.13213	6.0
151.11121	11.9
153.12672	8.1
154.39394	3.3
155.08521	6.8
157.10109	17.8
159.11656	19.4
161.09555	21.8
161.13229	5.3
165.09096	14.2
167.10654	10.6
169.10048	5.0
169.12141	7.1
171.11613	10.7
173.09567	9.3
173.13200	12.1
175.11172	25.0
175.14763	6.8
179.10645	5.9
183.11743	3.6
187.14775	15.7
189.12610	4.9
197.13278	8.1
199.14806	6.0
203.14362	7.7
203.17912	5.4
205.15877	4.8
213.12729	3.9
213.16377	19.6
215.14322	26.9
215.17874	6.1
229.15833	4.4
231.17404	15.4
233.15326	9.4
239.12250	4.1
249.18468	6.5
255.20978	5.4
273.22009	13.0
277.04504	3.6
283.20441	18.9
291.23059	12.7
301.21613	56.9
301.24991	6.6
319.22647	42.8
319.26047	4.0
337.10349	12.4
337.23593	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	337.2367
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03929	3.4
55.01870	3.0
55.05495	9.3
57.07050	7.1
59.04988	4.4
67.05491	54.6
69.03407	11.4
69.07062	34.5
70.21947	13.7
70.22324	5.1
71.04984	27.7
77.06354	2.5
79.05488	18.4
81.07045	100.0
83.04948	7.2
83.08600	9.1
84.90475	2.5
86.09164	2.8
91.05482	17.7
93.07035	48.2
95.04948	12.7
95.08592	54.5
97.06504	7.8
97.10170	7.2
99.69994	3.4
105.07007	31.9
107.08582	56.0
109.06495	11.0
109.10143	89.2
111.08076	7.0
113.09660	6.8
117.07008	5.1
119.08541	26.9
121.06492	12.3
121.10124	34.3
123.08061	8.6
123.11690	93.9
125.05894	4.4
125.09613	19.2
127.11178	8.2
131.08572	14.1
132.05663	2.5
133.10094	32.8
135.08005	11.7
135.11670	20.9
137.09601	14.1
137.13243	9.8
139.11160	12.9
141.86487	2.7
142.07814	4.7
143.08536	5.6
145.10155	15.5
146.07355	3.1
147.08026	6.7
147.11696	21.5
149.09599	12.8
149.13226	6.9
149.68338	2.8
151.11121	11.3
153.12804	6.7
155.08459	3.8
157.10120	12.9
158.33673	3.3
159.11690	15.4
161.09599	25.7
161.13217	7.6
162.95461	3.3
163.11172	6.7
164.85718	3.1
165.09073	9.7
165.12697	5.9
167.10658	7.9
169.10114	4.0
169.12144	2.7
171.11644	12.4
173.09566	5.7
173.13245	7.7
175.11169	19.1
175.14767	6.7
177.09030	4.8
177.12892	3.1
179.10725	5.8
183.11775	3.6
185.13210	3.2
187.14775	13.5
191.14345	6.0
193.12253	3.0
195.10120	3.5
197.13206	5.2
199.14708	3.8
211.14867	5.1
213.16319	11.9
215.14378	17.4
219.17349	3.6
221.15482	3.6
227.14249	3.5
229.15866	3.2
231.17397	11.6
233.15311	3.9
247.17110	3.2
249.18507	6.5
253.19432	4.2
255.20912	4.7
262.29898	3.4
273.22150	8.7
277.08258	4.4
283.20511	12.5
291.23120	8.6
296.21548	3.0
301.21591	43.7
303.84036	3.0
319.22623	33.9
337.23730	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2729
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03927	3.0
55.01852	2.1
55.05239	2.3
55.05501	44.5
55.09607	1.1
55.15258	1.1
57.03163	1.7
57.03429	26.2
57.07059	6.6
65.03913	3.4
67.05493	86.5
68.05808	1.5
69.07056	49.5
70.95563	3.5
71.04966	2.1
71.08617	3.0
79.05479	24.0
81.07042	83.5
82.07378	2.8
83.04975	3.1
83.08603	26.5
84.56994	1.1
85.06522	1.9
85.10141	1.3
91.05464	14.8
93.07028	22.0
95.04942	1.7
95.08591	71.1
97.06498	4.6
97.10153	12.5
99.08086	2.2
105.07024	11.0
107.08583	10.9
109.09399	2.0
109.10138	27.2
110.56403	1.1
111.08084	3.0
111.11698	3.6
119.08571	8.5
121.10140	10.2
123.08106	1.2
123.11694	10.0
125.09637	1.4
133.10095	8.7
135.11707	5.7
137.13237	4.7
147.11668	5.1
149.13203	5.6
151.11250	1.3
151.14799	2.6
161.13231	5.6
163.14772	3.5
166.40224	1.0
175.14758	2.8
189.16345	2.4
203.18030	1.1
245.22581	3.1
263.23697	6.3
303.86935	1.1
337.27316	100.0
338.27719	6.1
347.48264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03925	2.6
53.98272	1.5
55.01867	2.0
55.05240	2.0
55.05499	38.7
57.03424	23.7
57.07058	7.8
65.03919	2.2
65.89588	1.9
66.02306	1.4
67.05492	90.8
69.06689	3.4
69.07054	53.2
70.57658	4.5
71.04971	2.6
79.05479	23.2
81.07042	92.8
82.07368	2.8
83.04983	2.9
83.08604	24.8
85.06528	3.0
85.25392	1.9
91.05462	14.7
92.22868	1.5
93.07025	21.6
95.04940	2.0
95.08585	63.5
96.08938	2.0
97.06516	6.2
97.10155	10.6
102.01842	1.4
105.07011	12.0
107.08554	11.7
109.06466	2.7
109.10129	23.1
110.10469	1.7
111.08067	3.8
119.08546	7.7
121.09358	1.4
121.10101	9.8
123.11673	11.9
133.10085	10.7
135.11671	5.4
137.09607	2.2
137.13251	4.2
147.11650	6.7
149.13206	2.8
161.13255	4.3
163.14789	2.7
174.99100	1.6
175.14748	3.0
177.16309	2.2
177.99028	1.5
189.16324	3.4
213.97414	1.5
242.84793	1.5
245.22691	1.4
263.23688	3.7
337.27307	100.0
338.27679	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	337.273
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03920	2.1
55.05502	34.8
56.06965	1.0
57.03158	1.8
57.03425	21.8
57.07054	4.2
64.24483	1.4
65.03929	2.6
67.05494	76.7
68.05824	1.4
69.07056	45.2
70.06847	4.7
71.04977	1.8
71.08598	2.4
79.05476	20.1
81.07041	73.0
82.07346	1.8
83.04942	2.2
83.08607	20.2
91.05465	12.2
93.07024	22.3
95.04927	2.5
95.08592	53.2
96.08887	1.5
97.06510	4.3
97.10148	9.2
99.08069	2.2
102.47266	1.1
105.04432	1.2
105.07011	10.0
107.08582	11.4
109.10136	20.8
111.08048	1.8
111.11682	3.0
119.08567	7.0
121.10122	9.3
123.08082	2.0
123.11691	9.1
125.09534	1.3
133.10100	6.5
135.11670	5.4
137.13229	3.7
144.65143	1.2
147.06581	1.2
147.11629	4.7
149.13235	2.5
151.14769	2.4
153.12756	1.2
156.55305	1.1
161.13208	3.4
163.14824	1.7
245.22678	3.1
263.23569	3.8
320.88382	1.3
337.27310	100.0
338.27545	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	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.18172	0.3
53.00281	0.4
53.03946	1.8
55.01857	1.5
55.05502	38.7
56.05832	0.4
57.03426	27.3
57.07064	5.2
59.05000	0.4
65.03934	3.0
67.05493	86.2
68.05830	1.0
69.03415	0.6
69.07056	52.5
70.07401	0.6
70.95676	0.3
71.04986	2.5
71.08620	2.3
72.40074	0.3
77.03885	0.4
79.05478	21.7
80.05836	0.4
81.07042	84.5
82.07378	1.2
83.04972	2.4
83.08604	24.8
84.08927	0.5
85.06538	2.5
85.10162	1.1
91.05465	14.8
93.07028	21.3
95.04955	2.0
95.08589	61.1
96.08930	1.3
97.06519	5.4
97.10153	12.0
99.08065	2.0
101.05979	0.6
101.83520	0.3
105.07014	8.5
107.08572	12.2
108.08917	0.4
109.06513	1.0
109.10136	21.9
110.10516	0.4
111.08059	2.6
111.11681	2.9
113.06051	0.3
113.09602	0.6
115.07562	0.4
119.08560	7.9
121.10125	8.2
122.10434	0.4
123.08060	1.2
123.11687	11.1
124.99367	0.3
125.09594	1.6
125.13205	0.4
127.11176	0.6
131.08501	0.3
132.30165	0.3
133.10100	8.6
134.10423	0.3
135.11676	5.1
137.09612	1.4
137.13248	4.3
139.11165	0.8
147.11646	4.7
149.13219	2.8
151.11151	1.2
151.14748	1.6
153.12714	1.0
161.13222	4.8
163.14809	2.4
165.12747	0.7
165.16386	0.5
175.14795	3.3
177.16360	0.9
179.14328	0.5
179.17963	0.5
189.16266	1.4
193.15961	0.7
203.17978	0.4
221.18770	0.4
245.22546	1.9
263.23691	3.3
264.23929	0.3
337.27307	100.0
338.27673	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	339.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70944	1.8
56.96557	24.8
60.04810	1.8
69.03439	2.5
71.67490	2.7
76.49274	1.7
84.96011	2.2
89.96152	1.5
94.06556	5.2
97.65383	1.9
98.97567	100.0
100.99143	14.8
104.10724	2.2
110.97552	11.1
112.89585	32.1
112.99108	4.4
114.89320	45.8
116.98600	71.0
119.00204	8.5
119.01902	7.9
128.98581	29.2
131.00171	6.0
131.01860	2.5
134.99644	30.7
137.01241	1.8
140.00165	2.6
140.99619	3.5
143.00150	7.5
145.01683	2.9
146.99628	28.8
149.01189	3.8
153.00710	2.6
158.01239	3.0
158.99615	45.1
161.01195	14.9
161.02451	2.1
162.00142	3.5
165.00691	20.0
170.99561	11.7
177.00687	65.2
177.02286	3.0
177.04060	2.5
179.02275	4.0
183.01871	12.4
186.01059	2.3
189.00674	36.0
189.02222	1.5
191.02335	11.6
192.01035	3.7
193.00250	2.1
195.01811	3.7
200.02283	6.6
201.00771	2.6
204.01135	2.5
206.82878	2.5
207.01717	23.5
209.03308	6.2
212.02299	3.6
214.03777	2.1
219.01723	44.8
222.02238	2.1
225.02800	6.9
225.98454	1.7
231.01732	6.0
237.02756	38.2
249.02719	9.0
255.03853	16.2
260.04343	3.8
261.79202	2.1
262.85428	4.9
279.03845	18.7
297.04926	10.4
320.85788	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	339.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	2.7
53.03937	2.6
55.01863	4.9
61.58909	1.5
65.03918	4.3
67.01857	3.1
67.05489	3.7
68.99776	10.6
69.03404	6.2
71.68545	1.9
71.69016	2.6
72.08112	1.5
79.05476	2.9
81.03397	5.6
83.01295	3.1
83.04965	2.0
85.02846	2.1
85.06504	2.6
86.06044	1.7
91.05457	3.5
94.04131	1.8
94.06530	4.8
95.04940	8.6
97.02895	9.1
103.05474	2.0
107.04939	4.4
108.08067	3.4
108.55019	1.7
109.02853	6.3
111.00806	2.1
111.04393	8.6
113.02335	1.9
115.05447	2.2
119.04907	4.1
120.08133	4.1
121.02838	5.2
122.03631	2.9
122.06001	7.2
123.04404	17.6
123.06787	3.2
124.07585	2.5
125.02331	10.6
127.03870	4.6
128.07083	2.1
131.04919	3.1
133.02829	4.0
134.06026	3.0
135.04419	8.5
136.07559	12.5
137.02325	8.4
139.03874	100.0
140.04657	13.8
141.01825	3.3
143.03337	2.4
145.02788	4.6
145.06474	4.7
147.04390	13.1
148.07565	7.1
149.02333	6.5
149.05891	2.4
150.03062	3.5
151.03923	13.3
152.07019	5.9
153.01825	4.2
153.05447	1.7
154.02631	2.8
155.03366	69.5
155.04683	3.8
156.03668	2.2
159.04427	4.3
160.07657	1.6
161.05904	4.0
162.09065	2.5
163.03874	27.6
164.07057	11.0
165.01790	2.5
165.05444	2.7
166.02557	2.0
167.03369	6.8
168.04166	11.7
168.06465	2.1
169.04906	5.8
170.08144	2.0
172.07501	3.4
173.05908	2.2
175.03922	4.3
176.07034	2.5
177.05434	41.5
179.03340	11.1
181.04930	9.7
182.08073	2.0
183.02882	3.2
186.09166	3.2
187.03831	8.5
187.09923	2.4
189.05406	5.4
190.08611	5.5
191.03326	6.1
193.04958	3.3
199.03888	2.2
201.05473	6.0
202.12344	2.3
203.03349	77.9
204.03679	3.2
205.04918	24.4
213.05482	4.1
214.08524	2.5
215.03378	11.8
217.05017	2.9
218.08167	2.4
221.04456	5.3
229.04938	7.3
230.11734	7.3
231.02809	4.8
231.06540	2.1
233.04425	23.9
236.08896	1.8
239.03290	3.1
240.10130	3.2
241.04893	2.8
247.06006	15.8
248.12617	4.3
249.03909	3.7
251.05437	13.4
257.04492	7.3
257.12793	2.8
258.11301	9.3
259.05908	2.4
261.03943	3.0
267.11270	5.7
272.11459	2.2
275.05460	13.7
275.13785	5.7
276.12323	13.4
277.03589	2.9
277.06989	3.1
279.09793	2.2
285.03885	2.6
285.12149	11.1
286.10742	4.7
294.13293	2.4
295.04413	14.4
303.04953	9.6
303.13391	16.1
304.11844	10.9
306.07306	3.6
321.05997	52.3
321.14233	6.5
322.06232	1.9
322.12692	6.5
339.07117	35.7
339.11465	4.1
339.15344	20.2
356.93121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25581	0.5
55.01870	0.8
61.02916	0.7
65.03916	0.4
67.05499	0.5
68.99765	0.5
69.50828	0.5
70.14465	2.3
77.03928	0.5
79.05483	0.8
85.02894	1.0
89.03907	5.9
91.05466	1.1
95.01290	2.6
95.04944	0.6
96.67227	0.5
103.05457	1.3
103.68996	0.5
107.04917	1.7
115.05431	0.8
117.03378	6.0
119.04888	1.0
121.02817	1.5
121.80719	0.5
122.05984	1.5
123.04398	3.0
124.07571	1.6
129.01793	0.6
129.07024	0.6
131.04890	1.9
134.05965	0.6
135.04391	23.6
136.07532	4.2
137.02295	0.5
139.03914	1.0
141.01785	1.7
143.04903	0.5
145.02818	7.7
146.03473	0.7
147.04379	26.6
148.04750	0.9
149.02299	2.8
149.05893	1.0
152.07054	4.6
157.06374	0.5
159.04382	1.6
161.05969	1.3
163.03871	100.0
164.04219	2.8
164.07042	5.3
173.05933	0.7
175.03938	3.4
177.01793	3.8
177.03880	1.8
177.05470	2.5
179.03392	0.9
182.08089	1.2
185.02477	0.6
187.03874	2.4
189.05434	1.5
191.03407	0.9
201.05481	0.6
203.03354	96.6
204.03668	2.0
205.04961	4.1
213.05437	1.3
215.03362	5.2
217.05023	0.9
219.02892	1.9
221.04355	0.8
229.04967	3.0
231.02867	11.7
231.06412	0.9
232.03278	0.7
233.04405	4.6
238.00909	0.5
245.51909	0.5
257.04636	0.6
259.05862	0.8
261.03946	5.6
275.05359	1.0
279.04916	8.0
285.12067	0.7
291.04959	4.3
303.13354	2.3
321.06125	0.8
321.14273	1.2
339.07108	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	339.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
55.01849	1.1
55.42013	0.4
55.65554	0.4
65.03922	0.5
65.79250	0.5
69.03394	0.6
70.06569	1.0
73.49568	0.5
79.05460	1.2
84.08109	0.9
85.02884	1.2
85.16584	0.4
89.03889	6.0
91.05446	1.2
94.06512	0.6
95.01302	1.7
97.02827	0.5
97.06503	0.6
103.05457	1.2
107.04948	2.6
111.00774	0.5
115.05462	0.9
116.22784	0.5
117.03357	7.9
119.04901	1.2
121.02811	1.4
122.06009	2.2
123.04413	3.4
124.07498	0.5
131.04855	1.4
135.04388	22.8
136.07571	2.7
137.02249	0.7
139.03865	2.1
141.01762	1.4
145.02809	8.6
146.03632	0.5
147.04376	27.2
148.04778	0.6
149.02315	4.0
149.05949	1.2
150.05464	0.9
152.06955	0.5
154.08615	1.5
155.03392	0.8
157.02840	0.7
159.04390	1.8
161.05936	1.5
163.03873	100.0
164.04247	1.2
164.07005	1.2
171.04442	0.7
173.05942	0.6
175.03893	4.4
177.01854	3.7
177.03902	1.6
177.05438	5.9
179.03340	0.6
185.05913	0.8
187.03857	2.9
189.05399	1.5
191.03375	1.3
195.02846	0.7
201.05502	0.6
203.03352	91.9
204.03671	1.8
205.04893	4.1
213.05476	1.1
215.03363	4.8
217.04768	0.6
219.02811	1.9
221.38515	0.5
229.04889	2.4
231.02863	11.2
233.04373	3.4
243.02815	0.5
257.04337	0.6
259.06033	0.7
261.03864	5.9
279.04919	6.8
291.04953	5.1
295.84122	0.5
303.13208	0.6
304.12048	0.5
321.06064	0.7
321.10904	0.7
339.07062	4.5
339.15561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
64.39493	0.7
65.03931	2.2
67.05484	2.4
68.99778	1.1
69.03405	1.3
70.06573	1.0
72.08141	0.8
75.70253	0.8
77.28763	0.8
79.05479	1.5
80.85192	0.9
81.03426	1.2
81.07037	1.4
83.01266	0.8
83.04958	1.3
85.02884	6.5
86.98682	0.8
87.00804	1.3
91.05460	10.9
93.03388	2.1
93.18196	0.9
95.04965	3.1
97.02885	2.2
97.36259	0.8
98.20623	1.2
98.97537	1.0
105.01854	2.5
105.06998	0.9
107.04909	2.2
109.02856	2.9
109.06439	1.1
111.04419	1.7
119.04923	22.7
119.05724	1.8
120.05245	0.8
120.08047	1.0
121.02850	1.3
123.04431	4.2
127.03896	1.9
127.56150	0.8
133.06474	1.0
135.04402	2.5
136.07579	1.2
137.05939	2.3
145.02832	2.9
147.04384	100.0
148.04745	3.3
149.02289	1.3
161.05988	1.4
163.03902	7.0
165.05414	1.4
173.02333	2.1
177.01830	1.7
177.05446	3.4
187.03851	1.4
189.01826	1.6
191.03372	2.7
195.02843	2.6
203.03296	1.4
205.04932	1.2
207.02913	4.0
215.03352	1.2
219.02853	40.6
220.03278	1.8
225.03874	3.9
233.04478	4.0
237.03853	2.8
261.03909	17.0
262.04172	1.4
291.04843	2.2
303.04971	2.5
303.13168	0.9
339.07117	4.0
339.15491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.20039	1.5
63.87761	1.4
70.06568	2.4
71.20702	3.1
91.05462	13.0
92.27140	1.5
105.07017	3.3
119.04924	25.9
133.06427	1.9
135.04379	2.5
147.04388	100.0
148.04703	3.7
161.05893	4.1
163.03857	3.9
177.05450	4.1
189.05470	2.8
203.03317	2.0
207.06447	4.3
207.08311	1.9
285.12115	2.6
303.13519	2.0
319.40005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	5.2
67.05476	10.3
69.03419	12.5
69.07050	4.9
71.00653	8.1
75.87919	2.8
76.97945	3.0
79.05462	4.1
83.04961	11.1
85.06539	5.9
86.06035	11.2
91.05473	5.0
93.07020	3.9
94.06541	42.1
95.04933	7.4
95.07321	4.0
96.08096	3.2
103.05407	3.1
105.07002	4.2
107.07320	5.0
108.08121	22.7
110.09675	3.7
111.04397	10.8
118.06548	3.6
119.04984	3.6
120.08091	33.4
121.51922	3.6
122.06000	27.7
123.04392	15.0
123.06805	15.5
124.07555	5.2
126.07944	4.4
128.07033	5.6
132.07993	4.2
134.09589	8.2
136.07547	31.9
138.05525	3.4
138.09111	5.1
139.03922	18.8
144.01050	3.6
144.08073	11.3
145.08786	3.1
146.08356	3.4
147.04356	15.7
147.06792	7.6
147.09138	4.3
148.07533	35.4
152.07021	4.9
156.06668	5.1
158.09648	6.6
162.09154	17.5
163.03848	12.3
164.07034	20.3
165.05473	4.4
166.08615	12.5
169.08879	5.6
170.09744	4.7
171.10320	3.7
172.07649	3.5
174.07843	5.8
174.09180	7.0
175.08583	9.1
182.08202	4.2
182.09669	4.5
184.07721	3.3
184.11143	9.7
186.09129	13.6
186.12741	4.9
187.09883	11.9
188.09285	4.9
188.10774	4.5
190.08640	25.4
192.06523	7.3
196.09973	4.6
200.10661	8.7
202.08574	13.6
202.12302	20.3
203.03387	8.5
204.10356	3.0
206.08345	11.5
211.12167	6.7
212.10744	16.6
214.08614	14.4
215.09311	8.3
218.08070	7.2
220.09904	4.5
220.13298	9.0
221.10573	6.9
227.11656	4.3
230.11694	44.8
232.09676	9.1
233.10336	6.0
233.12660	3.6
236.09094	19.6
239.11728	18.5
240.10182	8.6
248.12714	25.0
257.12817	11.0
258.11212	75.0
258.13931	5.0
267.11185	25.6
272.11487	18.5
273.12219	9.8
275.13873	21.1
276.12250	100.0
285.12268	45.5
286.10663	18.4
293.15231	5.0
294.13342	14.4
303.13318	61.6
304.11707	65.1
305.12109	4.4
321.14493	29.1
322.12766	44.7
339.11151	4.9
339.15430	95.9
340.15924	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	339.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58524	1.0
53.03926	1.1
67.05480	3.1
68.62154	1.2
69.37414	13.0
70.34769	1.0
77.03935	1.2
79.05476	4.0
79.58064	0.9
81.07047	8.3
82.25184	1.0
91.05469	2.3
93.07036	2.0
94.06548	3.4
95.04950	1.4
96.08098	3.3
98.02122	1.0
98.67785	1.1
106.06595	1.1
107.07355	1.1
108.08104	3.4
109.05218	1.3
109.06467	1.7
110.06031	9.7
120.04414	1.3
122.06014	21.9
123.06815	3.7
124.07560	18.1
134.05989	16.7
136.07552	89.9
137.07913	1.4
139.03862	2.0
140.07014	3.8
147.04396	3.7
150.05466	7.8
152.07042	100.0
153.07338	2.7
153.68352	1.1
158.08125	1.3
163.03848	2.9
164.07039	97.9
165.07419	3.5
166.08659	2.3
167.00156	1.2
168.06514	3.9
170.08109	13.5
177.05394	2.8
182.08087	30.1
200.10637	2.1
203.03368	1.6
214.12221	1.9
230.11658	2.0
232.13327	2.4
235.47070	1.3
242.11787	2.6
257.67691	1.0
258.11188	2.1
260.12808	5.6
276.12350	2.8
285.12323	3.4
303.09882	2.4
303.13348	50.6
304.13968	1.6
321.14343	12.5
322.12683	1.2
339.10959	1.0
339.15222	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42374	2.7
58.53027	2.5
61.03466	2.6
67.05499	13.6
69.03407	11.9
69.07036	4.6
69.85427	4.4
69.85841	15.2
70.06580	3.0
79.05475	6.1
81.03426	4.7
81.40686	2.6
82.06585	3.0
83.04959	12.2
85.02892	2.4
85.06518	5.5
86.06023	3.2
94.06564	33.5
94.39318	2.8
94.99267	2.7
95.04959	3.5
97.06516	3.7
98.20757	3.3
107.07329	4.4
108.08087	15.2
111.04433	8.5
113.05972	4.3
117.03358	2.7
120.08101	23.6
122.05993	18.8
123.04405	3.1
123.06771	13.2
128.07054	7.4
132.08081	2.7
134.09605	6.5
136.07567	17.0
137.06017	3.8
139.03885	16.4
143.08464	3.3
144.08040	6.5
145.02820	3.7
145.08868	6.1
146.09584	5.9
146.62605	2.5
147.04399	9.3
148.07535	19.5
150.05453	3.9
158.09538	3.9
159.10333	3.8
162.09140	13.5
162.10266	11.5
163.03888	4.0
164.07039	12.1
166.08540	8.4
171.10435	3.4
172.07596	4.7
172.09734	3.4
172.11093	3.5
174.09166	6.0
174.12791	3.5
177.05458	11.9
184.11182	10.0
186.09146	10.6
186.12756	5.2
187.09901	9.4
188.08183	27.9
188.10625	4.4
190.08647	18.3
192.06541	8.9
194.08023	2.9
196.09859	4.2
197.08372	3.6
200.10646	3.5
202.08633	16.2
202.12311	18.3
204.10046	4.5
206.08331	7.8
210.52786	2.8
212.10745	9.0
214.08678	10.8
215.09425	11.9
215.11621	3.5
216.09966	3.2
218.08037	4.3
220.13298	5.3
228.10110	4.0
230.11731	39.4
232.09622	9.5
236.09117	4.7
239.11771	12.0
240.10234	8.0
248.12773	27.3
257.12790	4.8
258.11246	49.7
267.11255	17.4
275.13779	17.5
276.12292	100.0
285.12241	27.8
286.10718	15.4
293.14667	5.3
294.13342	22.5
296.15802	3.6
303.13382	44.4
304.11728	65.2
321.14453	26.4
322.13220	74.4
339.16141	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	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03952	4.5
55.05495	12.8
56.55545	3.4
57.03433	7.7
57.07067	7.7
65.03905	4.0
67.05492	97.6
69.07046	13.7
69.46454	34.8
79.05481	49.0
81.07041	100.0
83.08588	7.5
85.06513	4.0
91.05476	24.9
93.07032	60.4
95.04946	8.4
95.08592	98.2
97.10169	5.2
105.07015	22.8
107.08584	40.7
109.06474	4.5
109.10142	54.3
111.08057	5.3
117.07008	7.6
119.08567	22.7
121.10123	43.4
123.11687	22.3
131.08560	23.7
133.10074	17.2
135.11662	30.4
139.11124	3.8
145.10092	24.0
147.11639	15.7
149.05922	4.1
149.13232	17.3
159.11644	14.7
163.14780	7.0
173.13217	10.4
177.05460	5.4
177.12683	3.8
181.61455	4.1
182.51971	3.5
187.14784	7.4
196.94557	3.4
219.21022	5.0
229.19536	21.7
247.20529	86.0
248.20987	5.0
263.62680	3.3
265.21652	7.7
269.73541	5.0
273.67480	3.6
283.16815	15.7
321.24136	9.8
321.28473	4.1
322.27213	6.4
339.25180	15.2
339.29791	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	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.47641	0.6
53.00291	1.0
53.03923	1.6
55.01851	1.1
55.05503	41.4
57.03156	1.3
57.03427	21.5
57.06798	1.1
57.07064	17.8
59.04982	0.9
61.46095	0.8
64.55538	0.6
67.05138	1.4
67.05495	27.8
69.03416	0.9
69.07056	55.4
69.90864	3.6
69.91277	1.2
71.04978	3.0
71.08615	8.6
79.05485	15.1
81.07043	32.3
83.04965	1.6
83.08604	34.1
85.06518	1.7
85.10171	4.4
91.05460	2.4
93.07030	16.8
95.04965	1.0
95.08591	31.8
97.06507	6.0
97.10152	21.2
98.20706	0.9
99.08083	1.4
104.69443	0.7
107.08567	11.5
109.10141	13.3
111.08047	3.3
111.11683	4.6
115.07506	0.7
119.08598	0.8
120.58963	0.7
121.10123	15.1
123.11689	4.5
123.43679	0.7
125.09615	3.0
135.11670	10.9
137.13210	1.5
139.11156	2.5
149.13237	6.5
151.14841	1.2
153.12668	1.2
163.14810	2.5
165.16370	1.4
177.16423	1.3
247.24150	4.3
265.25281	3.7
339.28891	100.0
340.29337	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05502	42.1
57.03428	22.7
57.07068	21.3
67.05494	29.5
69.07053	53.5
71.05003	2.5
71.08627	11.8
74.61271	2.0
79.05494	10.8
80.05842	2.4
81.07043	33.4
81.86781	2.1
83.08605	41.4
85.10173	5.3
90.39811	2.6
91.05453	4.1
93.07027	17.1
95.08588	36.5
97.06499	6.8
97.10148	26.1
105.37811	2.2
107.08595	11.1
109.10148	17.0
111.08086	3.6
111.11704	6.1
121.10139	19.3
123.11691	6.0
125.09615	3.8
135.11676	13.9
149.02312	3.3
149.05951	4.5
149.13226	5.4
151.14790	2.3
163.14792	3.8
177.16383	2.3
193.04991	6.3
224.65695	3.1
247.24170	4.6
253.67320	2.3
265.25287	10.0
339.15628	2.5
339.28897	100.0
339.77832	3.2
340.29175	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	340.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36655	1.0
56.56039	1.3
56.96568	1.2
70.06570	3.5
70.67229	3.3
70.67583	1.7
72.04473	2.1
72.08146	1.6
75.13868	1.2
79.05466	1.8
84.04472	2.3
84.08139	1.2
86.09690	2.4
89.03896	8.9
90.05545	5.8
91.05828	2.1
95.04971	1.6
107.04958	3.1
108.21761	1.2
110.07169	1.7
114.05496	5.6
117.03377	7.8
119.04913	1.9
119.08576	1.2
120.08141	1.3
120.91167	1.1
122.05948	1.3
123.04376	2.2
132.06523	2.3
135.04399	21.8
136.04790	1.7
136.07552	1.5
137.05954	3.4
139.03955	1.5
145.02823	14.1
146.03267	1.4
147.04353	4.9
148.04706	3.5
156.31636	1.2
160.06012	7.4
160.07266	1.5
163.03883	100.0
164.04189	4.7
166.08594	1.9
179.03339	2.5
187.07440	1.3
204.03752	3.2
310.14978	1.3
310.26907	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01860	6.9
57.03423	7.6
61.02915	4.2
67.05440	2.2
69.03425	37.0
69.73322	10.9
69.73737	4.1
70.06574	3.8
71.04976	4.7
73.02904	5.6
73.16249	2.1
80.08324	2.3
81.03413	23.1
83.04961	4.1
84.08121	2.5
85.02894	100.0
86.09674	2.4
87.00813	47.3
91.05398	2.4
97.02882	28.9
98.20704	4.5
98.26998	2.3
99.04435	10.8
105.01854	63.2
107.04951	4.0
108.04480	3.6
109.02876	30.2
112.18864	2.8
119.04919	4.6
120.08125	5.0
123.04502	3.3
127.03898	63.2
127.42049	2.6
135.04424	2.8
139.03905	2.5
145.04945	27.5
147.04399	21.0
148.04733	26.1
159.02882	9.3
163.03935	5.9
164.06964	2.8
179.03320	2.5
189.03940	5.7
219.02869	9.6
220.03271	14.1
231.04965	15.7
241.91600	2.9
249.06018	4.4
262.04324	7.9
271.84338	2.5
322.12732	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	340.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01860	9.0
55.05489	2.0
57.03427	6.3
59.33594	1.2
61.02912	5.2
67.05493	1.7
68.99780	2.9
69.03417	36.4
69.07072	1.6
70.06574	5.0
71.04987	6.1
71.09527	3.6
73.02902	6.3
79.05478	1.9
81.03406	22.7
81.07020	1.8
84.08141	2.3
85.02893	100.0
86.09692	3.0
87.00818	44.4
91.05446	1.5
95.04950	1.8
95.08598	1.4
97.02876	29.3
98.03193	1.5
99.04436	11.4
103.03927	1.8
105.01853	73.9
105.07021	1.7
106.64602	1.4
107.04919	2.1
108.04472	1.6
109.02859	24.1
111.04378	1.4
117.01816	1.8
119.08598	2.1
120.08107	2.5
127.03896	67.0
128.04247	1.4
129.01819	3.1
131.04903	1.7
131.08534	1.9
133.10080	1.5
137.05972	12.4
139.03929	1.2
145.04938	29.6
147.04399	4.0
147.08038	2.0
149.05881	1.5
159.02879	10.9
159.11684	1.5
161.06021	2.2
162.09149	1.4
163.03969	1.4
177.05441	2.2
187.07489	4.0
190.08632	1.5
190.96208	1.3
203.08510	1.7
217.08630	1.8
220.03276	1.9
231.04948	15.2
231.07294	1.5
231.08029	1.3
249.06055	3.9
253.08746	1.4
281.04160	1.3
291.10226	3.2
295.09964	1.8
295.15363	15.9
299.05646	1.7
323.13177	2.6
340.13940	2.0
340.17337	6.3
340.21149	3.3
341.10181	1.4
341.13995	2.5
362.79752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76000	1.4
55.05489	6.3
57.03444	1.6
57.07057	2.4
60.53009	1.7
61.85704	1.6
62.06079	100.0
67.05498	14.3
69.07044	6.7
71.08620	17.2
71.70486	2.5
79.05488	11.0
81.07032	17.7
83.08569	3.1
85.02856	1.7
85.48747	1.7
91.05444	4.9
93.07018	9.3
95.04938	2.7
95.08598	13.0
96.08929	1.5
97.02949	2.3
97.06480	2.2
97.10168	2.3
97.95383	1.8
98.06033	2.1
99.08086	9.9
105.07008	5.6
107.08559	3.8
109.10143	5.1
119.08591	3.7
121.10110	4.6
131.08545	2.2
135.11656	4.2
137.13255	1.9
144.09518	1.7
145.10062	1.7
147.11668	9.2
149.13222	2.8
163.11243	1.9
163.14824	2.6
165.12746	2.5
173.13171	1.7
177.25110	1.6
181.15984	1.9
224.20045	3.6
242.21072	8.4
243.20966	2.6
248.20830	2.0
261.22113	3.3
266.24771	2.7
279.23062	4.5
302.32953	1.6
322.24045	4.5
322.27356	69.0
323.25592	3.7
340.28442	18.1
341.21246	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98632	0.6
55.82724	0.5
56.96554	11.0
70.03510	3.0
71.95248	1.1
91.05766	0.9
98.97563	46.8
116.00185	0.8
116.98602	46.2
119.01899	0.5
130.93275	0.9
132.96544	1.6
134.01205	0.6
134.99640	26.4
140.00153	1.3
150.97661	1.1
153.00703	3.8
156.96567	1.2
158.01205	1.8
172.94289	0.7
174.97638	12.8
175.97734	0.9
176.38400	0.5
177.00897	1.9
178.01071	0.6
179.71840	0.5
190.95511	1.8
192.98700	15.5
193.00525	0.8
193.98772	0.9
198.97589	3.7
208.96565	2.3
210.99748	0.7
213.51982	0.5
214.95650	2.8
214.97462	0.6
216.98674	31.1
217.98834	1.6
218.03404	0.5
219.01990	5.2
220.02126	0.8
221.01830	0.7
232.96646	16.7
233.96814	1.0
234.99725	61.8
235.99904	3.1
237.00166	0.6
238.95685	1.1
240.00204	2.1
240.98672	1.2
250.97707	17.7
251.97836	1.3
252.97842	0.6
253.00826	1.9
256.96667	10.9
257.96738	1.2
258.01212	3.1
258.99747	12.4
259.05963	0.5
259.99893	1.4
260.04623	1.6
261.00183	0.6
261.03079	1.6
261.44397	0.6
263.02811	1.7
274.97690	42.8
275.97803	3.5
276.02325	0.8
277.00793	18.6
278.00952	1.9
279.00473	0.9
280.96490	2.6
283.00107	1.6
283.77859	0.5
284.00101	1.4
289.96347	1.1
292.98737	10.1
297.99023	1.2
298.97702	54.3
299.03549	1.4
299.05545	1.9
299.97864	5.6
300.02344	1.2
301.00882	2.5
302.01102	3.0
303.00980	1.0
316.98755	100.0
317.98886	8.4
318.99048	1.0
334.99780	3.5
340.00363	7.9
340.98654	14.9
341.98901	0.9
358.99744	36.6
359.99860	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	341.086
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02358	0.2
53.00309	0.2
53.03944	0.2
54.09307	0.2
56.03244	0.2
57.03399	0.2
61.02890	0.4
69.03418	1.4
71.68456	0.2
77.03938	0.3
81.03371	0.4
85.02879	2.0
88.76754	0.2
89.03885	0.7
94.12923	0.2
95.04981	0.3
97.02874	1.0
105.03372	0.8
109.02836	0.4
117.03355	0.5
123.04406	11.4
127.03913	0.4
133.02824	9.8
134.25182	0.2
135.04385	1.8
139.03841	0.3
144.17815	0.2
151.03879	3.9
179.03358	100.0
180.03694	3.4
256.71826	0.2
341.08624	1.0
362.90051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
53.47924	1.7
55.01860	2.9
55.05498	6.1
55.54124	1.4
57.03428	1.4
57.07080	2.3
57.10553	1.2
63.37901	1.3
65.03931	2.1
65.49724	1.4
67.05496	7.7
69.03428	17.8
69.07064	13.7
71.04983	1.9
71.68150	2.1
79.05473	8.6
81.03401	7.0
81.07054	16.7
83.04974	3.7
83.08602	2.2
85.02872	1.5
85.06535	3.7
91.05441	10.6
93.07024	8.5
94.04167	2.3
95.04947	6.9
95.08590	11.0
97.06507	2.2
97.10167	1.8
99.08079	1.9
100.11230	2.8
103.05446	3.1
105.07006	12.4
107.04949	4.7
107.08586	6.4
109.06519	4.9
109.10159	9.8
110.06033	1.7
111.04425	3.0
111.08057	2.7
111.11717	1.8
115.05437	3.8
116.40331	1.3
117.07017	3.5
119.04925	3.1
119.08564	8.6
121.06499	5.8
121.10130	4.0
122.03648	6.6
123.04449	4.5
123.08090	1.6
123.11713	5.6
125.09555	1.7
127.03923	2.9
128.06227	3.3
129.07004	5.2
131.04866	2.8
132.05725	2.6
133.06467	5.8
133.10161	3.6
135.08086	2.2
135.11694	3.7
137.05956	100.0
137.09576	4.1
137.13229	1.9
139.07365	1.4
139.11064	1.4
141.07043	2.0
143.08513	1.9
145.06458	3.2
145.10074	1.9
147.04413	4.3
147.08018	6.4
147.11667	2.6
149.05917	2.3
149.13232	3.0
151.11226	2.1
153.05379	1.8
159.08047	4.3
160.05194	3.5
161.05949	11.3
165.09111	6.4
167.07138	3.4
167.08511	1.6
172.05167	1.6
175.07513	33.6
176.07771	2.4
176.14319	3.0
177.14665	2.8
187.07524	10.3
189.09138	3.0
190.07759	2.3
191.08562	7.4
192.09392	1.7
199.07581	9.3
202.07761	3.6
203.08575	6.6
217.08562	2.3
218.07211	2.6
219.08054	12.1
220.08908	2.8
221.09396	2.3
231.08150	7.8
232.08817	2.5
234.06494	1.5
235.07660	1.8
247.07584	4.1
248.08357	4.4
249.08971	2.6
251.10580	11.0
259.07434	2.4
260.08276	1.4
263.10690	4.1
264.08023	1.9
265.08636	2.6
277.08496	2.3
279.10129	10.2
281.11649	3.0
289.14249	1.5
290.82486	1.5
291.10156	7.4
292.10825	3.0
305.24783	2.6
308.10352	2.0
309.11298	4.3
311.12766	10.1
313.14392	1.9
323.12726	4.9
341.10104	1.8
341.13773	8.7
341.19299	2.7
341.26776	1.6
343.69818	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	342.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
55.05507	3.8
59.04972	1.5
67.05492	5.9
69.03391	1.9
69.07052	1.6
69.79661	9.4
70.06569	6.5
71.04984	5.9
75.03258	1.2
77.58008	1.2
79.05495	3.4
81.07051	6.2
83.04973	3.8
84.08132	2.2
85.02898	1.6
85.06538	5.0
86.09692	7.0
89.06039	1.7
91.05472	5.2
93.07027	4.0
95.04964	2.9
95.08614	4.0
99.08077	31.2
105.07014	3.7
107.04935	2.9
107.07034	3.7
107.08591	3.7
109.10156	1.7
111.08031	2.4
115.05441	1.9
116.07055	1.8
117.07004	5.4
119.04940	1.8
119.08604	3.4
121.06493	2.8
123.04390	5.4
124.07623	1.9
129.06995	3.7
131.08577	7.7
131.50691	1.3
133.06401	1.6
133.10115	5.8
135.08069	2.4
135.11639	1.6
137.05937	2.2
143.08540	5.7
145.06465	2.4
145.10085	8.8
147.08058	1.8
147.11629	1.9
155.08528	14.2
157.10118	7.4
159.06801	1.4
159.07970	7.0
159.11652	3.3
160.58873	1.5
161.05898	1.6
161.09572	10.7
162.05392	1.5
163.07510	1.8
163.11191	2.9
165.05449	1.4
169.10143	2.7
171.11673	3.9
173.09608	1.9
173.13275	2.4
177.09058	1.5
187.14824	5.6
191.06953	2.4
197.13206	24.3
201.05521	2.1
201.08977	1.7
207.10106	1.8
215.14301	12.5
217.15848	2.8
233.15399	3.4
243.13710	6.7
261.14810	50.0
262.15048	1.7
273.09631	1.3
279.15869	70.8
280.16208	3.7
289.21994	1.6
297.16913	100.0
298.17255	4.3
325.10666	4.5
325.16431	4.6
342.19122	17.3
343.04254	2.0
343.12875	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	342.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05495	9.0
56.25934	2.0
57.07060	16.4
65.27603	2.0
66.73741	1.7
67.05506	2.6
69.03410	5.2
69.52929	10.4
69.53363	8.0
70.06570	8.3
81.03394	2.3
83.08599	5.4
85.02893	16.7
89.06010	33.1
91.05457	2.2
97.02900	3.6
101.09627	13.9
107.04934	2.1
107.07059	39.9
127.03924	2.2
145.04939	3.0
147.04414	2.1
159.33412	1.9
163.13268	100.0
168.31073	1.9
175.60056	1.8
183.14993	2.1
228.10916	1.9
302.04108	2.6
315.04779	2.6
342.06104	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	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40666	0.5
53.03933	1.3
55.01853	1.3
55.05272	0.8
55.05497	9.5
57.03434	1.3
59.04980	1.6
59.30004	0.5
62.06061	2.5
67.05498	4.4
68.99791	1.0
69.03399	2.7
69.07041	1.2
70.06560	1.8
71.04977	1.4
71.08618	9.7
71.67973	0.7
72.08139	1.4
73.02921	0.6
79.05463	3.4
81.03429	0.6
81.07042	4.0
83.04966	21.6
83.08600	0.7
84.04484	0.8
84.08084	0.6
85.02892	5.6
86.06049	15.9
90.80392	0.6
91.05463	3.1
93.07023	3.2
95.01277	0.7
95.04927	2.7
95.08591	3.4
96.08110	7.1
97.06465	0.9
98.06014	1.2
98.09678	10.4
99.08065	3.6
100.07588	1.3
101.06020	5.0
103.05473	0.8
105.06998	2.4
107.04957	3.8
107.08555	1.5
108.08086	1.3
109.06491	1.0
109.10134	1.9
111.04424	15.0
111.08089	0.6
113.05979	1.2
114.09135	0.6
116.10709	25.9
117.07032	0.9
119.08578	5.9
121.08854	0.8
121.10103	2.0
122.09661	0.9
123.04369	1.3
123.08023	0.9
124.07549	1.7
125.05959	1.0
129.05446	3.4
131.08530	1.0
133.10107	1.2
134.09641	1.5
135.11646	1.1
137.05946	1.6
137.09550	1.2
142.08618	14.0
142.12230	5.0
143.08632	0.6
143.10646	9.1
145.10051	1.6
147.06517	0.6
147.07996	0.8
147.11661	1.0
149.06023	0.7
151.03888	1.2
151.07545	0.7
152.10762	0.7
153.05525	0.9
154.08531	0.8
155.07018	2.7
159.11656	0.6
160.13278	0.8
162.12747	1.2
164.10667	5.0
165.09120	0.8
167.07074	2.9
171.11636	0.9
173.08075	1.4
175.07556	0.8
180.13866	1.1
182.15402	5.9
183.01524	0.8
184.13303	1.2
190.12236	4.5
197.04445	1.9
198.14877	2.5
208.13313	9.3
214.17973	12.7
226.14342	32.5
244.15410	100.0
245.15681	2.8
253.19559	1.4
254.19884	0.6
271.20490	2.3
296.51071	0.6
297.11417	0.7
324.21710	4.6
342.22714	8.5
343.10742	1.9
343.22873	1.3
361.11322	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	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71455	0.4
54.71073	0.4
55.01851	0.6
55.05268	0.6
55.05503	6.3
56.05019	0.8
56.56757	0.4
57.07050	0.6
59.04987	0.6
67.05493	2.3
68.05003	0.4
69.03410	1.9
69.03770	0.5
69.07049	1.5
70.06572	1.7
71.08611	3.8
71.68259	0.7
72.04491	0.9
72.08139	1.9
79.05470	1.3
81.03401	0.5
81.07048	4.2
83.04969	10.7
83.07377	0.7
83.08610	1.2
84.08118	0.6
85.02881	1.5
85.06527	0.7
86.06057	16.9
86.99008	0.6
91.05439	2.5
93.07014	2.3
95.04945	2.1
95.08600	3.4
96.08109	6.0
96.09007	0.5
97.06522	0.9
97.61559	0.5
98.06023	0.8
98.09673	11.2
99.04415	0.7
99.08080	1.9
100.07581	1.2
101.05999	4.1
105.06996	1.5
107.04922	1.0
107.08560	1.7
108.08090	2.1
109.06491	0.5
109.10140	2.3
111.04424	8.0
113.05975	0.6
114.09143	0.7
116.10711	22.5
119.08563	3.8
121.06467	0.6
121.08836	1.0
121.10124	1.1
122.09652	1.5
123.11708	0.6
124.07540	1.8
128.10674	1.0
129.05443	1.7
131.08582	0.7
133.10075	0.9
134.09608	1.2
135.08029	0.5
137.05946	1.0
137.09607	1.7
139.03889	0.6
142.08618	12.9
142.12267	0.6
143.10663	9.2
145.10097	1.0
148.11171	0.7
149.09698	0.5
149.13231	0.7
153.05417	1.0
154.08604	0.7
155.07076	2.4
155.08247	0.6
157.04907	0.7
162.12708	0.9
163.11176	1.0
164.10681	5.8
166.15941	0.5
170.15387	1.5
173.08073	1.5
180.13776	1.5
181.12299	0.7
182.15398	5.8
184.13310	1.5
187.07495	0.5
188.08025	0.5
190.12244	5.2
193.10147	0.5
196.13423	0.6
196.17006	0.5
198.14851	3.8
208.13303	7.7
214.17998	7.2
226.14342	33.8
227.14597	1.6
227.17812	0.4
244.15414	100.0
245.15730	3.9
250.48241	0.5
255.17001	0.6
324.21658	2.4
324.25455	0.5
329.58191	0.6
342.22736	9.1
342.26913	0.8
343.08096	0.9
343.11987	1.2
343.22977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.71001	0.4
55.01844	0.6
55.05502	7.9
55.94572	0.4
56.04999	0.7
56.67740	0.4
57.03439	0.4
57.07033	0.4
59.04975	0.9
60.04493	0.5
65.03898	0.6
66.22005	0.5
67.05499	2.4
69.03397	1.7
69.07047	1.8
70.06574	1.2
70.82639	1.2
71.04971	0.8
71.08252	0.6
71.08611	6.0
72.08131	1.4
79.05477	2.3
81.03396	1.1
81.07034	4.5
83.04961	9.3
83.08612	0.5
84.04506	0.5
84.08114	1.1
85.02886	1.1
86.05536	0.8
86.06049	15.2
91.05421	2.3
93.07025	2.9
95.04942	2.5
95.08579	2.9
96.08112	6.3
96.08755	0.7
97.06520	0.9
98.06014	1.2
98.09676	11.6
99.08109	2.6
101.06001	4.3
103.05445	1.2
105.07005	1.4
107.04913	3.5
107.08572	2.0
108.08114	2.7
108.08778	0.7
109.06507	0.6
109.10125	1.9
110.09621	0.6
111.04427	8.5
114.09164	0.9
115.05445	0.5
116.10707	25.5
117.06982	1.0
117.11074	0.5
119.08572	3.0
120.08057	0.8
121.06496	0.8
121.08874	1.0
121.10072	0.9
122.03593	0.5
122.09632	1.8
122.10425	0.6
123.04410	8.5
123.08054	0.6
123.11691	1.0
124.07556	1.4
129.05431	2.4
129.06976	0.9
131.04922	2.2
131.08504	0.8
133.06541	0.5
133.10077	0.5
134.09608	1.5
135.08044	0.6
135.10393	0.8
135.11559	0.5
136.07561	1.0
136.11153	0.9
137.04935	0.7
137.05956	10.9
137.09575	1.3
139.03859	1.0
142.08614	14.2
142.12212	0.6
143.10638	10.6
145.06488	0.8
145.10062	0.7
147.04349	0.5
147.08025	0.8
148.03880	3.0
148.11159	1.2
149.05959	1.4
151.11261	0.5
152.10687	0.8
153.05402	0.5
155.06993	2.3
155.08604	0.6
157.04910	0.4
157.06488	0.6
162.12720	1.5
163.03851	0.6
163.07521	1.3
163.11174	1.1
164.10686	6.7
165.09145	0.7
166.04935	1.5
167.06998	2.1
171.08034	0.5
173.08069	1.6
175.07512	1.3
177.09007	0.7
180.13770	2.1
180.15306	0.5
182.15350	5.6
183.08052	0.4
184.13287	1.6
189.09033	0.8
190.12247	5.6
193.08600	0.5
196.16953	2.5
197.06084	0.5
198.14850	2.9
201.09111	0.8
201.16377	0.6
207.68871	0.6
208.13295	8.5
211.16721	0.5
214.17973	23.2
215.10603	0.8
215.18343	1.1
226.14334	33.8
227.14706	0.7
244.15401	100.0
245.15738	4.0
257.12805	1.0
301.11728	0.7
324.21552	2.0
342.22653	9.6
343.11743	1.2
343.22818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58970	1.3
55.05507	7.0
56.05035	7.2
56.48861	1.2
57.03407	3.6
57.07070	17.3
58.06576	2.8
60.04509	3.1
62.06064	3.1
67.05482	8.1
68.04997	2.8
69.03439	1.5
69.07055	6.9
70.02941	1.6
71.08614	7.6
72.04500	5.6
79.05486	5.0
81.07043	8.4
83.01331	1.6
83.04966	3.1
83.08602	4.4
84.04495	22.6
85.02902	7.9
85.10151	4.2
86.06044	4.9
91.05465	2.7
93.07047	6.2
95.04973	1.5
95.08576	6.4
96.04493	3.0
97.02920	2.0
100.03946	3.4
107.04900	1.7
107.08556	3.9
109.10117	3.6
110.06050	1.6
110.09510	1.3
111.04378	1.4
111.11660	1.8
112.03954	83.7
121.10110	2.9
124.03915	2.6
135.11673	2.9
174.18546	2.7
184.20663	2.0
202.21658	4.8
225.40678	1.5
250.25305	2.5
251.23651	7.1
261.22198	1.8
278.24802	6.3
279.23105	12.3
296.25891	7.5
306.24292	5.6
324.25400	4.6
342.37271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13463	0.8
55.01847	1.3
55.05494	6.5
56.05030	7.6
57.03408	4.0
57.07060	7.8
60.04504	2.9
65.76017	0.9
67.05490	5.5
69.03405	1.2
69.07047	5.4
70.06585	1.0
71.08614	4.2
72.04486	1.9
77.19336	0.9
79.05478	6.0
81.07045	6.4
82.06584	1.1
83.01290	1.6
83.04971	3.7
83.08598	3.6
84.04488	24.2
85.02895	7.2
85.10150	2.0
86.06046	5.4
91.05454	2.3
93.07024	5.1
95.04936	1.9
95.08588	5.4
96.04465	1.8
97.02834	1.9
97.10141	2.4
98.20843	4.3
100.03957	1.5
105.07001	1.5
107.04938	1.7
107.08554	3.6
109.10162	2.3
111.04456	1.6
111.11715	1.2
112.03946	100.0
113.04277	1.0
114.05502	1.5
117.06985	1.3
118.06795	1.1
119.08543	1.2
121.10105	2.8
123.11695	1.3
124.03986	2.2
131.08487	2.1
135.11652	1.4
149.09662	1.0
162.86691	1.0
191.02684	1.0
243.21002	1.5
250.25241	2.0
251.23679	7.3
261.22055	4.1
278.24716	6.1
279.23163	11.5
279.62994	0.9
280.23587	1.1
296.25873	4.1
306.24158	7.4
317.50183	1.2
324.25421	5.8
342.26318	2.1
342.37234	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.117
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
53.03945	1.2
55.01873	1.7
55.05492	2.7
59.47098	0.9
67.05485	3.5
68.99754	1.0
69.03415	2.5
69.07065	1.7
71.04988	1.0
71.69071	1.4
79.05488	6.3
81.07024	4.7
83.04963	5.7
83.08599	1.5
85.02911	2.3
89.03928	1.5
91.05470	6.0
93.07030	3.2
95.01308	2.4
95.04940	6.6
95.08583	3.4
97.06494	1.0
103.05447	75.8
104.06224	3.5
105.07030	6.0
107.04942	18.0
107.08576	3.0
109.06486	2.3
109.10181	1.4
111.04429	4.4
115.05458	1.6
117.03352	2.9
117.07010	1.4
119.04890	1.3
119.08549	2.8
121.06497	4.7
121.10102	2.2
122.03623	1.1
122.72233	1.0
123.04380	2.5
127.03931	1.0
129.06984	1.3
131.04898	42.8
132.05688	2.7
133.02837	1.6
133.06494	6.0
133.10091	1.2
135.04381	9.3
135.08014	5.0
135.11583	1.2
137.05952	34.5
139.03882	2.5
141.78294	1.0
143.01755	1.0
143.08553	1.2
145.02806	3.5
145.06467	3.4
145.10132	2.1
147.04404	10.7
147.07993	2.0
147.11667	1.1
148.05176	2.9
149.05957	16.9
151.03871	2.2
151.07504	1.6
157.06456	1.1
157.10123	1.9
159.11633	1.2
161.02364	1.5
161.05988	1.6
163.03886	15.2
163.07509	46.3
163.11211	3.3
164.08301	100.0
165.08833	2.2
167.07033	5.0
173.05945	2.7
175.07526	1.4
177.05423	1.9
179.07101	1.6
180.07784	2.7
187.03842	6.9
188.04645	3.9
189.12782	1.8
201.05518	8.7
205.04944	3.4
205.06596	1.9
219.06387	5.4
247.07588	1.4
251.07011	1.3
251.17924	1.8
253.19373	1.3
264.07855	2.0
265.05902	1.1
265.08484	7.7
267.06409	1.6
269.19019	1.2
269.38507	1.0
275.06805	1.5
283.09576	1.8
292.07254	1.7
297.11212	1.3
307.09573	7.0
313.10461	1.1
315.12405	1.2
325.10654	35.0
326.10895	1.3
343.11835	6.0
343.19022	1.5
343.22644	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	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47084	1.2
53.03941	2.1
55.01855	3.9
55.05504	2.9
56.56010	1.3
57.01560	1.1
57.03426	4.0
61.02910	5.2
62.82199	1.2
65.03923	1.9
66.15134	1.0
67.05500	3.3
69.03418	19.2
69.07054	1.6
70.05952	6.9
70.06576	5.7
71.04984	3.7
72.08135	2.0
73.02901	2.5
79.05471	8.1
81.03388	8.0
81.07038	10.2
83.04966	7.3
84.08144	2.4
85.02888	34.8
85.06580	1.5
86.09691	6.9
87.04455	1.5
87.10046	1.8
91.03944	2.3
91.05433	8.5
93.03423	1.6
93.07021	11.1
95.04955	22.4
95.08595	2.6
96.04496	1.9
96.05220	1.2
97.02880	17.2
97.06513	4.9
99.04412	3.0
101.02341	1.5
103.05441	2.4
105.07005	7.9
106.02891	6.2
107.04942	13.7
107.08572	18.2
109.02872	5.6
109.06491	3.8
111.04458	5.7
115.05430	1.3
117.03416	1.8
117.06976	6.2
119.04942	3.0
119.08588	5.2
121.06468	6.1
121.10118	10.6
122.03616	1.7
123.04415	17.8
123.08028	1.7
124.03941	14.8
124.04762	2.5
125.05970	12.1
127.03906	8.7
128.06223	1.3
129.06947	1.5
130.07776	2.8
131.04909	1.8
133.02837	1.4
133.06480	2.1
133.10101	2.3
133.23145	1.1
135.04393	10.0
135.08029	4.0
135.11699	7.3
137.05959	9.8
137.09619	2.1
138.05443	1.3
139.03871	10.3
142.03296	1.2
145.02965	1.1
145.04965	9.1
145.06465	2.8
145.10103	18.8
147.04356	8.4
147.08009	2.3
148.76979	1.4
149.05974	3.8
150.05510	1.8
151.03889	5.1
161.05977	2.5
161.09671	1.5
163.03888	16.0
163.07529	6.4
163.11156	100.0
164.11481	2.0
165.05421	3.9
165.09077	2.9
166.05064	1.7
167.07048	2.2
173.05949	2.5
175.03894	3.4
175.07500	2.2
175.11165	2.2
177.05435	1.5
181.04944	3.0
181.12201	20.7
182.02722	1.2
187.07524	1.5
189.05537	1.4
191.03421	2.3
191.06992	16.3
192.06586	4.8
193.05006	1.5
194.97444	1.5
201.05420	2.7
205.06587	2.5
205.08386	1.5
208.09679	4.0
223.13141	1.9
237.09067	2.1
250.06258	2.8
265.08499	3.3
279.06412	1.7
283.09641	1.4
293.07996	3.0
294.05930	1.8
297.07797	2.0
307.09662	2.4
307.15402	1.5
312.06995	1.3
325.10635	4.9
343.07993	2.2
343.12228	2.9
343.17648	1.7
344.11084	5.6
344.24347	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	4.2
55.01855	9.5
55.05499	18.2
57.03418	8.2
57.07054	10.7
59.04998	5.9
65.03927	3.5
67.05495	34.7
69.03410	10.2
69.07055	8.2
71.04978	25.3
79.05483	27.4
81.03413	3.9
81.07040	35.5
83.04958	8.2
83.08599	3.7
85.06490	4.5
91.05471	38.9
93.07034	91.8
95.04954	64.2
95.07999	6.6
95.08590	99.5
97.06522	21.3
98.20678	7.3
98.21391	10.8
105.07008	86.4
107.04939	11.0
107.08581	64.5
109.06479	19.4
109.10161	5.6
115.05405	9.2
117.06999	39.6
119.04935	3.3
119.08562	34.4
119.18829	3.2
121.06491	23.3
121.10115	17.6
123.08038	33.3
123.49787	2.9
125.05853	3.5
125.09605	4.0
128.06219	5.0
129.07001	5.0
130.07777	22.8
131.08568	16.0
133.06473	5.0
133.10081	16.0
135.08025	28.6
135.11676	21.8
137.09583	4.0
142.07780	5.8
143.08495	12.9
145.06491	3.4
145.10100	100.0
146.10530	3.9
147.08006	15.3
147.11636	5.3
149.09589	7.6
151.07515	61.9
153.09026	5.1
155.08627	4.9
157.10109	12.6
159.07999	4.9
159.11693	10.8
161.09595	9.0
161.13272	3.4
163.07518	3.6
163.11165	78.1
164.11577	4.0
165.09071	23.0
169.10098	7.5
171.08034	3.6
171.11674	8.4
173.09756	3.7
173.13268	7.0
175.11192	9.1
177.09042	7.8
179.06990	8.6
181.10114	4.0
181.12071	4.1
183.11703	5.2
187.11131	6.6
189.12730	12.5
190.13445	3.4
191.14291	4.4
193.10042	3.2
197.13225	5.8
203.14268	16.1
207.10068	4.3
207.11935	3.3
207.13773	10.8
209.15352	4.6
215.14189	6.2
216.47713	3.0
221.15309	37.8
223.14680	5.7
225.16298	4.1
233.15234	3.9
240.23230	5.0
245.15488	5.0
263.16452	9.8
269.15240	6.1
307.20844	3.5
325.21521	17.0
343.22620	95.5
344.22958	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.78485	2.6
53.03934	5.7
55.01853	9.3
55.05499	25.5
57.03413	11.4
57.07062	16.2
59.04992	7.0
59.25938	2.7
60.04510	5.1
67.05495	41.0
69.03406	12.4
69.07043	10.2
70.87694	8.4
71.04987	24.5
71.08599	3.0
72.04498	16.2
73.04870	3.1
78.47205	2.8
78.63776	2.7
79.01095	2.8
79.05470	34.6
81.03387	5.0
81.07040	44.7
83.04967	8.5
83.08598	4.4
85.02884	3.0
85.06545	5.6
88.38994	2.9
91.05461	49.7
93.07028	87.3
95.04338	4.2
95.04951	71.9
95.08590	90.0
95.09198	4.5
97.06517	16.1
103.05451	5.4
105.07013	100.0
107.04935	8.6
107.08581	65.4
109.06500	21.6
109.10117	4.1
115.05444	8.6
117.07002	44.8
119.08564	43.9
121.06487	16.6
121.10120	21.2
122.07330	3.0
123.08060	27.0
123.11688	4.3
125.05953	3.2
128.06131	3.1
129.06999	9.3
130.07773	18.0
131.08557	17.6
133.06467	8.1
133.10100	21.3
135.08052	31.8
135.11655	22.5
137.09569	7.7
142.07790	3.6
143.08580	17.5
145.06493	3.8
145.10098	96.0
146.10434	3.2
147.08025	16.3
147.11708	6.9
149.09598	10.6
151.07518	55.1
155.08525	7.4
157.10089	13.1
159.08075	4.8
159.11652	12.2
161.09648	10.3
161.13289	5.9
163.07536	3.2
163.11151	70.4
165.09105	19.6
169.10114	7.0
171.11624	7.7
173.09631	6.8
175.11133	6.0
177.09123	3.9
179.06996	7.1
183.11571	4.0
185.09645	3.6
185.13226	4.8
187.11163	4.8
187.14874	4.8
189.12703	12.1
191.14320	6.4
195.11705	4.0
197.13138	5.1
199.11348	3.3
199.14735	4.6
203.14255	13.2
207.11826	4.0
207.13721	5.5
209.15277	5.6
221.15396	30.6
233.15161	4.9
240.23242	6.5
241.15698	3.5
257.15219	3.8
263.16357	9.8
269.15402	4.4
286.19189	10.5
307.20349	4.2
325.21600	12.8
343.22586	72.1
343.26373	23.0
344.22827	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	344.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92944	0.4
53.03917	0.7
55.01848	1.0
57.03409	1.3
61.02899	1.7
65.03928	0.5
69.03426	3.4
70.06566	1.4
70.93045	1.1
71.04996	0.4
72.08154	0.6
73.02911	0.7
78.03430	1.1
80.04991	0.7
81.03391	1.4
81.07032	0.7
83.01305	0.7
84.08107	0.6
85.02886	16.9
85.03398	0.9
86.09695	1.0
91.03909	0.5
91.05460	5.4
94.06538	0.7
95.04960	0.9
96.04487	1.0
97.02873	4.2
99.04431	1.0
101.02337	0.6
106.02906	7.6
106.06509	0.5
107.04926	0.5
108.08108	1.2
109.02858	1.7
114.39622	0.4
119.04922	20.4
120.05266	0.8
123.04403	4.2
124.03931	18.9
125.04299	0.8
127.03876	2.6
129.06946	0.5
134.70900	0.5
136.07542	0.9
137.05948	0.6
139.03871	1.3
145.04929	3.6
147.04381	100.0
148.04749	3.6
148.07619	0.7
150.05496	1.2
151.03862	1.3
152.07060	0.7
155.03326	0.6
161.05811	0.4
162.05444	0.8
163.03879	1.5
163.16614	0.5
164.07054	0.9
165.05449	49.6
166.05869	1.3
166.08607	1.0
174.09106	0.8
180.08633	1.2
182.08159	1.3
190.08746	0.4
192.06505	1.0
194.08086	0.5
194.97414	0.8
202.08606	1.5
220.09665	0.7
222.07677	0.5
222.98639	0.5
260.09177	1.2
262.11020	0.4
280.11703	0.7
294.06067	3.1
298.12759	0.7
308.07758	0.8
308.11249	1.8
311.52377	0.4
312.07193	0.9
326.08652	1.2
326.12375	2.4
343.99655	0.6
344.09882	2.0
344.13931	1.0
344.24197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59254	0.4
54.03448	0.9
55.05501	4.4
56.05033	0.8
57.07065	3.6
60.04512	0.7
61.02907	0.8
61.74239	0.4
67.05485	2.7
68.04984	0.8
69.03425	0.5
69.07064	3.7
70.06552	1.3
71.08615	1.3
72.04499	3.2
73.02908	0.5
79.05473	1.2
80.05006	2.1
81.03376	0.6
81.07038	1.9
82.02928	2.4
82.06551	1.3
83.04948	0.5
83.08620	3.0
84.04490	2.2
85.10156	0.5
91.05463	1.0
93.07020	1.1
94.06557	2.9
95.04936	1.4
95.08575	1.6
96.04491	2.5
96.08104	1.5
97.10166	1.2
98.06057	0.7
98.20695	1.2
100.03954	8.0
101.86910	0.4
103.48788	0.4
107.08529	0.5
109.10137	0.6
110.06026	1.7
114.05489	0.8
114.09144	0.8
120.08067	0.5
122.06006	2.4
123.06762	0.5
124.07576	0.8
126.05566	0.7
132.06596	0.5
133.48973	0.4
173.09213	0.4
203.42534	0.4
210.22229	0.5
222.22075	0.4
226.21609	10.4
234.22015	0.8
235.20511	0.6
236.20103	0.6
238.21632	17.5
239.21809	0.5
241.23523	0.6
250.21663	0.7
252.23228	0.9
254.21120	32.9
255.21558	0.7
262.21622	0.6
266.21274	0.6
280.22726	4.2
284.22110	1.7
308.22180	1.3
344.24268	100.0
345.24591	3.4
346.83694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Broussonetine U
Peak:m/z	Relative Intensity
53.03928	1.2
55.01852	3.6
55.05498	9.9
56.05018	0.9
57.03415	1.4
57.07063	12.2
58.02953	6.0
60.04518	1.0
67.05492	7.6
69.03402	1.4
69.07054	13.8
70.02937	1.6
70.05097	4.2
71.01359	1.1
71.08627	6.7
72.00831	1.2
72.04491	0.8
76.03992	4.1
79.05466	3.4
80.05008	1.5
81.03397	3.9
81.05795	0.9
81.07039	6.8
83.04980	4.3
83.08605	9.7
85.02848	1.2
85.10157	3.5
91.05443	1.8
93.07024	5.1
95.04945	2.8
95.08590	6.2
96.04478	18.6
97.02885	1.5
97.10145	5.2
98.02397	2.3
98.06030	1.4
98.21052	2.1
99.03177	0.8
100.03959	3.2
105.07044	1.2
107.04946	0.8
107.08576	1.9
108.04441	1.3
109.06474	0.9
109.10130	3.6
111.04424	2.1
111.11697	1.3
112.03944	1.5
117.00723	0.7
117.34121	0.9
121.10159	1.3
123.04391	1.4
123.11668	0.9
126.05504	7.6
128.03389	3.7
137.05908	1.1
144.00484	0.8
144.06535	35.5
144.07677	1.8
144.49884	0.9
145.10085	1.3
146.04462	9.3
150.05466	0.9
183.17506	1.5
199.20566	1.2
220.64128	0.8
223.20551	1.9
225.64696	0.8
230.32042	0.8
236.20003	1.1
239.20003	1.0
251.20013	40.0
252.20033	1.6
254.20966	0.9
263.19974	5.3
274.21683	5.9
281.21051	5.2
296.21942	1.0
298.23758	1.5
308.22171	13.6
314.65591	0.8
326.23212	100.0
327.23712	4.0
334.30048	0.8
344.24203	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	344.2426
Annotation	Broussonetine U
Peak:m/z	Relative Intensity
55.05492	4.6
57.03424	1.2
57.05794	2.1
57.07062	3.3
60.04507	1.4
60.94046	1.1
67.05474	3.9
67.32960	1.0
68.05002	1.3
69.03410	2.6
69.07067	2.4
69.41904	8.5
69.42315	2.2
70.02917	1.1
70.06562	3.0
71.01350	5.6
71.08607	1.4
79.05463	2.7
80.04984	1.5
81.03404	1.0
81.07025	4.0
82.06568	1.7
83.04975	2.4
83.08593	3.2
85.02907	1.6
87.18473	1.2
91.05447	1.4
93.07039	1.9
94.06549	2.4
95.08582	4.3
96.04470	2.2
96.08127	1.8
98.06051	1.9
98.20737	2.2
99.04465	1.4
106.19881	1.0
106.82223	1.1
107.08566	2.2
108.08079	1.4
108.40335	1.0
110.06021	1.5
117.06979	1.6
119.08490	1.3
120.08126	1.3
123.06752	1.6
129.06873	1.0
136.07559	1.9
139.06264	1.0
141.07729	1.2
154.08636	1.1
224.20045	4.2
234.22089	2.2
242.21150	7.9
250.21754	3.9
251.19981	2.7
252.23219	2.5
266.21039	1.8
278.21140	1.7
280.22681	3.8
287.05447	2.9
298.23633	2.3
326.23245	4.2
330.07309	5.3
344.24258	100.0
345.09595	7.1
345.24481	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	344.2789
Annotation	Lauroylcarnitine
Peak:m/z	Relative Intensity
53.03915	1.0
55.01850	1.5
55.05507	10.7
56.05029	6.1
57.03416	1.2
57.06837	1.0
57.07071	8.0
58.06589	1.2
60.04517	32.7
67.05492	11.2
68.05027	6.7
69.03400	4.3
69.07056	15.5
70.02589	1.6
70.02945	14.9
70.06560	3.9
70.15770	5.2
71.08625	4.9
72.04498	9.7
74.06071	1.4
79.05468	4.3
80.04995	2.9
81.03397	3.0
81.07040	12.1
82.06558	2.2
83.04947	1.7
83.08607	8.4
84.04482	5.2
85.02831	1.0
85.10149	1.6
86.85432	1.0
87.04431	1.1
90.05524	1.4
91.05460	3.0
93.07026	6.0
94.06539	9.5
95.04954	3.7
95.08592	12.4
97.06472	1.3
97.10152	4.3
98.06021	2.7
98.09579	1.1
98.21053	2.5
100.03970	10.7
102.05566	1.6
105.07019	2.2
106.01385	1.1
107.08574	2.2
108.08115	1.8
109.06478	1.9
109.10117	2.8
116.07099	1.0
119.08549	1.7
121.10106	2.5
123.04329	1.2
123.11693	2.0
126.09062	1.0
131.51573	0.9
133.10110	1.4
136.07608	0.9
165.05420	1.4
175.03883	2.0
212.23732	5.3
238.25330	2.9
242.24748	1.3
250.25276	11.3
252.26759	1.6
262.25336	5.9
263.23651	1.6
280.26349	10.2
298.27362	24.0
308.25775	8.6
316.28430	48.5
317.28726	3.1
326.26846	100.0
327.08414	2.0
327.27203	5.7
344.27902	83.0
345.28229	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	345.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96249	0.6
53.19685	0.6
56.96562	13.8
60.95829	0.7
62.21993	0.6
69.03391	0.9
71.67403	1.3
71.95239	2.1
73.06765	0.6
74.83950	0.7
81.77523	0.6
85.02872	0.8
97.02879	1.6
98.97565	22.4
113.03464	1.5
116.97771	1.4
116.98605	26.7
117.98941	0.7
119.01893	3.1
120.97893	0.9
125.23373	0.7
128.98581	0.9
130.93285	0.7
134.99635	27.9
137.02962	1.8
138.98911	1.1
139.45241	0.7
146.99634	1.1
153.00674	6.9
158.01259	1.8
172.94133	1.6
172.95403	0.9
174.97678	1.6
176.02318	0.9
177.00923	16.3
178.00980	1.7
179.00787	0.7
181.95026	0.6
182.99886	2.4
190.95268	4.3
192.98619	1.1
201.00885	6.0
208.96396	1.7
216.98711	1.5
219.01979	100.0
220.02065	8.0
220.38954	0.7
221.01872	1.4
228.90039	1.1
230.93288	1.0
231.01988	1.2
232.96426	3.7
234.99771	3.2
235.99811	0.8
242.03568	8.3
243.01872	3.3
243.73647	0.7
246.91078	1.5
250.97510	1.9
255.01968	3.7
256.96518	9.5
257.96448	0.8
258.99841	4.2
260.00079	1.3
260.95947	1.1
260.99899	1.5
261.03040	6.5
262.95685	0.8
263.02777	1.7
270.91064	1.4
273.03036	3.0
274.94559	1.5
274.97498	12.0
275.97583	1.0
277.00888	6.1
278.00894	1.3
278.97284	1.1
279.00781	1.1
279.98047	1.3
280.96671	1.2
283.00146	3.6
284.00095	1.1
284.99734	1.5
285.03094	1.0
286.92245	0.8
288.92105	5.3
292.98511	4.8
296.05237	0.8
297.99048	1.3
298.97650	35.7
299.97763	4.0
301.00995	6.8
302.01172	2.0
302.97189	1.3
303.01056	2.0
303.04208	1.0
305.98254	0.9
306.93134	2.1
310.44635	0.8
316.95670	0.9
316.98932	0.9
318.94873	2.9
319.44937	1.8
319.94769	1.7
320.98242	2.7
321.99289	6.1
328.44788	1.5
329.44235	0.9
340.90564	0.8
348.88760	1.0
362.99136	1.0
368.87979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0964
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05473	0.4
66.34686	0.3
67.05482	0.9
69.07063	0.9
72.86959	0.3
79.05453	0.4
81.07040	1.6
84.08117	0.8
87.82497	0.3
91.05482	0.6
93.07016	0.6
95.04939	0.5
95.08572	1.0
97.02897	0.5
98.97574	0.3
99.89745	0.3
105.07034	0.4
107.08589	0.5
109.02864	0.9
109.10139	1.5
121.02808	0.4
123.04401	2.4
123.11658	0.5
130.84460	0.3
137.02338	0.9
137.05937	0.8
137.09567	0.6
147.04314	0.8
151.03886	3.0
157.06488	0.4
163.04001	0.3
165.05452	0.9
165.09024	0.4
166.02437	0.4
175.03870	0.3
181.06490	0.3
185.05939	2.4
187.03986	0.3
193.08553	1.9
196.05139	3.1
197.05873	0.6
198.06630	0.3
201.05426	0.4
204.06500	0.5
204.72249	0.4
206.08066	0.4
213.05437	4.6
216.04088	0.4
217.04897	1.1
224.04623	1.4
225.05403	2.3
226.06200	0.4
227.06979	1.1
231.06522	1.1
239.06943	0.4
241.04930	9.1
242.05606	0.7
244.03625	0.9
252.04047	0.7
253.04913	2.9
255.06497	0.7
258.05270	0.4
259.06067	2.5
267.06400	0.7
269.04443	3.1
272.03094	1.1
283.05780	0.7
284.06747	33.3
285.04324	0.4
285.06967	1.9
286.04718	1.2
287.05438	7.0
295.06091	0.6
296.03140	1.1
297.03854	1.6
299.05466	2.8
300.02570	0.9
300.06256	1.0
301.03702	0.5
301.06970	3.3
303.08722	0.8
311.05453	5.5
312.06226	10.5
313.06931	4.1
314.04102	1.4
315.04959	11.2
316.05682	3.0
327.12198	0.4
329.06516	8.3
329.10306	0.7
330.07263	13.4
345.09634	100.0
346.10016	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	345.0964
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01857	0.6
55.05491	0.7
65.03918	0.5
67.05489	1.5
69.03408	0.4
69.07040	1.0
71.69121	0.4
79.05458	0.6
81.03398	0.7
81.07037	2.3
83.08607	0.5
91.05438	0.9
93.03392	0.4
93.07024	1.2
95.04946	0.9
95.08582	1.7
105.06995	0.8
106.36386	0.3
106.37132	0.3
107.04920	0.5
107.08615	0.7
109.02862	0.6
109.10119	1.5
111.00825	0.4
117.06989	0.5
119.04912	0.8
119.08532	0.7
121.02871	0.7
121.10082	0.6
123.04410	3.6
123.11646	0.6
129.06978	0.6
131.04938	0.3
131.08542	0.5
133.10114	0.6
135.11702	0.6
137.02312	0.8
137.05927	1.5
137.09569	0.8
137.13185	0.4
139.03882	0.5
140.07045	0.5
143.08554	0.6
145.10107	0.6
147.04390	2.0
147.11688	0.5
149.02255	0.6
149.13197	0.7
151.03899	4.0
157.10078	0.4
159.08032	0.3
159.11649	0.3
161.06013	0.5
163.03909	0.7
163.14796	0.4
164.04721	0.4
165.05496	1.2
165.09024	0.6
167.03384	0.6
168.05743	0.3
170.14005	0.3
171.11560	0.3
172.03931	0.4
181.01305	0.6
185.05992	1.2
189.05354	0.6
193.05022	0.6
193.08543	2.1
196.05180	2.4
197.05916	0.6
199.07381	0.4
201.05400	0.5
204.06413	0.6
207.06323	0.4
213.05432	3.1
217.04976	2.2
217.99370	0.3
224.04665	1.5
225.05424	1.0
227.06929	0.9
229.04901	0.8
231.06496	1.0
235.11156	0.4
239.07010	0.7
241.02530	0.6
241.04929	7.8
242.05399	0.5
244.03729	0.6
252.04189	0.6
253.05003	1.8
253.19473	1.0
255.06535	0.5
256.07193	0.5
257.04379	1.2
258.05215	0.4
259.05978	2.3
267.06232	0.6
268.03748	0.3
269.04395	10.6
270.04807	0.7
271.05896	0.3
272.03064	1.3
281.04410	0.5
281.11679	0.5
283.06006	0.7
284.06747	30.8
285.03906	1.3
285.07187	1.5
286.04623	1.6
287.05457	5.3
288.06064	0.4
289.07123	0.4
295.06033	0.5
296.03094	0.7
297.03897	3.0
297.10773	0.3
298.04599	0.6
299.05539	2.3
299.12668	0.9
300.02625	0.9
300.05920	0.6
301.03357	0.8
301.07025	3.3
303.05228	0.4
303.08603	0.8
311.05447	4.7
312.06213	8.5
313.06961	4.7
314.04196	1.3
315.04968	11.0
316.05579	2.9
327.23581	0.8
329.06519	13.5
330.07260	13.7
331.07635	0.6
345.06268	4.1
345.09631	100.0
346.06131	0.5
346.10016	5.4
346.25943	0.6
350.55307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1326
Annotation	Deoxyelephantopin
Peak:m/z	Relative Intensity
53.03941	4.5
55.01853	3.6
55.36814	1.4
65.03923	2.6
67.05477	7.6
69.03409	3.1
69.07047	4.1
79.05482	38.1
81.03403	34.8
81.07043	4.6
91.05470	21.4
93.03394	2.0
93.07030	14.2
95.01291	3.3
95.04952	23.7
97.02834	1.8
97.06506	3.2
103.05459	2.4
105.07003	20.5
107.08570	26.4
112.78852	1.9
115.05415	1.5
117.07011	10.3
119.08561	6.0
121.02871	8.4
121.06490	24.2
128.06216	5.9
129.06984	9.0
131.04898	2.5
131.08534	12.9
133.06483	6.4
133.10100	12.4
141.06981	5.1
142.07803	2.3
143.08540	18.0
145.06471	7.1
145.10103	7.8
147.04424	2.8
147.07990	4.0
149.05942	7.1
151.07582	1.7
153.06929	2.5
155.08517	6.5
157.06479	2.2
157.10088	10.2
159.08012	11.2
159.11632	3.7
161.05963	34.5
161.09599	57.2
162.09973	2.7
165.07031	4.6
166.07762	3.2
167.08519	16.2
169.10144	8.8
171.07983	9.4
173.09587	3.0
175.07527	3.0
177.09035	2.1
178.07764	2.6
179.08554	3.4
181.10107	5.5
183.08041	3.1
183.11670	6.0
185.09621	16.9
187.07600	2.0
187.11143	3.1
192.09320	4.7
193.10083	4.8
194.10905	2.1
195.08037	4.1
195.11546	2.1
197.09605	1.9
197.13248	4.7
199.11101	3.5
203.10681	4.9
205.06763	1.8
205.08557	3.6
207.11635	12.4
209.09624	3.9
209.13188	2.5
211.11136	7.5
213.09203	2.4
217.10291	2.7
219.11865	1.7
220.08815	3.2
225.12697	15.2
227.14282	3.5
230.76689	1.8
231.10097	3.5
235.11139	16.4
236.11876	1.8
237.12698	9.6
249.11195	11.5
253.12195	19.8
255.10115	2.5
255.13669	3.3
263.10645	2.2
271.13223	32.9
281.11691	16.1
289.14377	7.6
299.12747	46.7
300.13089	3.4
312.20743	2.0
317.13779	100.0
318.14148	5.5
345.13025	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	345.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38937	0.6
52.42014	0.6
53.03917	1.2
55.01868	1.2
55.05481	2.0
57.03413	0.9
60.69466	0.6
65.03925	1.1
67.05498	9.5
68.99775	1.1
69.03423	4.8
69.07056	14.6
69.76972	4.5
70.06537	0.8
71.04961	1.3
72.08106	2.1
79.05463	2.8
79.92368	0.6
80.04996	1.8
81.03388	5.1
81.07037	6.4
83.04946	0.8
84.08097	1.1
85.02880	4.2
86.09666	2.9
87.10001	0.8
89.03880	1.4
91.05446	2.0
93.07016	2.4
94.06553	13.8
95.04957	4.5
95.08604	3.1
95.37958	0.6
97.02877	28.6
97.06513	1.4
99.04433	1.7
100.81470	0.6
105.05292	0.6
105.07034	0.6
107.04934	0.8
107.08569	1.4
108.08108	3.1
109.02876	4.2
109.06472	2.0
109.10136	13.3
110.06000	2.7
111.04404	3.1
112.07589	2.5
116.04954	6.7
119.08514	1.8
120.54326	0.6
121.02807	2.0
121.10125	2.3
122.06011	22.5
123.04394	4.6
127.03916	4.6
134.05919	0.8
137.02344	5.0
137.05949	1.3
137.09592	15.6
140.07034	50.1
141.07790	1.2
144.04430	15.7
145.05057	0.7
145.06352	0.7
146.05981	10.0
147.04353	1.6
147.08031	2.7
148.07556	1.0
149.02258	1.6
153.01785	1.2
155.10643	2.0
160.03889	1.1
161.02260	1.2
162.05470	8.5
165.01836	1.3
165.05449	0.7
165.09090	16.1
167.02054	1.1
167.03391	15.8
168.03731	0.9
170.54749	0.7
172.03911	64.6
173.04288	2.0
174.05527	3.1
175.03828	1.3
177.01767	1.4
178.08607	1.3
179.03372	4.6
183.10233	1.3
185.16460	1.1
186.16809	1.0
190.04964	3.1
195.02838	1.5
204.06528	100.0
205.06964	2.6
206.08080	16.8
209.66183	0.7
212.07042	0.7
212.10754	1.2
213.11438	0.8
225.10129	0.8
240.10146	2.0
245.12810	1.3
253.09721	1.0
267.10880	0.9
268.09619	1.3
271.05984	1.2
271.10718	1.3
272.12894	0.9
284.03040	3.9
285.03558	0.9
296.09003	0.9
299.05423	5.9
299.08688	0.7
299.10150	0.8
300.12180	10.8
301.03351	1.8
302.04099	4.9
303.04883	0.9
309.08810	1.2
312.02460	1.9
313.11707	2.9
315.05042	1.2
316.05695	1.5
317.06479	1.6
327.04993	16.1
327.09094	2.3
327.13382	2.6
328.05167	1.1
328.11597	1.4
331.12903	3.5
345.05981	40.1
345.10037	1.3
345.14426	4.5
345.24506	1.6
346.06274	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	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.16726	0.4
55.05512	0.7
57.03445	0.7
57.12925	0.5
65.03931	1.0
67.05494	5.3
68.05005	1.0
68.57774	0.5
69.03424	3.2
69.07065	4.5
69.59528	4.1
70.06580	1.4
73.61068	0.5
74.03154	0.5
79.05489	1.8
80.05000	1.2
81.03413	2.6
81.07050	2.6
83.04976	0.6
85.02895	1.7
86.09708	0.5
89.03891	1.1
91.05460	1.1
93.05744	0.7
94.06549	13.8
95.04967	3.0
95.08532	1.0
97.02875	12.6
97.06525	1.0
98.06017	0.5
98.16388	0.5
99.04443	0.7
99.08099	0.6
105.07000	0.7
107.04935	0.9
107.08557	0.5
107.25249	0.5
108.08089	1.9
109.02832	2.3
109.06478	0.8
109.10144	6.8
110.06020	2.1
112.07564	1.8
116.04960	7.7
118.06540	0.8
119.08531	0.9
121.02921	0.5
122.06010	24.8
123.04412	2.3
124.07568	0.8
127.03915	2.4
134.05998	0.8
136.07503	0.4
137.05942	0.6
137.09586	11.5
140.07039	33.9
141.07800	1.0
144.04419	14.8
145.04916	1.3
146.05998	8.5
147.04382	1.2
147.08038	0.5
148.07515	0.9
153.01826	0.6
155.10571	0.7
160.03986	0.4
162.05472	8.9
165.05440	1.0
165.09087	9.4
165.12851	0.6
167.03409	3.3
167.08641	0.6
172.03909	62.3
173.04303	1.8
174.05470	3.3
175.03798	0.6
178.08611	1.2
179.03430	1.2
183.10211	0.7
183.13776	3.4
190.04961	2.9
193.05026	0.8
204.06531	100.0
205.06888	4.1
206.08095	15.7
209.09924	0.7
215.08205	0.5
236.11525	0.5
271.10611	0.8
284.03064	0.7
299.05496	0.8
299.10089	0.5
300.12222	1.0
313.11685	2.1
327.04910	2.5
327.08722	1.0
327.13220	1.0
331.12808	3.7
345.06265	4.9
345.10391	1.7
345.14395	4.0
345.24576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.90027	0.6
55.01853	1.0
55.05503	0.8
57.03423	0.7
63.02390	0.5
65.03910	1.3
67.05499	7.5
68.05020	0.7
69.03419	4.3
69.07057	4.3
70.06570	1.2
70.10497	3.1
72.08111	0.8
79.05485	1.0
80.05019	1.0
81.03388	2.2
81.07024	2.6
84.08103	0.8
85.02899	5.1
86.09715	0.7
89.03893	2.0
92.80162	0.6
93.05736	1.0
93.06984	1.0
94.06555	14.0
95.04942	2.4
95.08583	1.0
97.02876	33.1
99.04439	1.5
107.08620	0.7
108.08102	1.7
109.02850	2.4
109.10143	9.3
110.06009	2.0
111.04440	1.5
112.07580	2.5
114.70625	0.5
116.04960	6.7
118.06523	0.9
119.08544	0.7
122.06010	25.0
123.04391	2.2
127.03896	4.2
134.06023	0.9
137.02307	0.9
137.05965	3.4
137.09590	11.0
140.07043	31.2
141.07845	1.1
144.04425	16.7
145.04848	1.1
146.05998	8.0
147.04297	0.7
147.08022	1.5
154.08710	0.8
155.10667	1.7
162.05481	9.5
164.07010	0.8
165.05452	0.6
165.09088	10.9
166.58919	0.6
172.03912	61.8
173.04193	2.8
174.05527	3.4
178.08662	1.0
183.10153	1.1
190.04926	2.8
195.02861	0.8
201.11151	0.7
204.06535	100.0
205.06937	4.0
206.08104	15.0
300.12225	1.3
313.11774	2.0
327.13300	1.3
331.12650	2.9
345.05850	2.6
345.09995	0.9
345.14258	2.8
345.24600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01865	1.0
55.05492	1.7
57.03418	2.4
60.21286	0.9
67.05493	14.7
68.05015	1.1
69.03416	11.1
69.07049	4.2
69.54224	2.9
69.54634	6.3
70.06570	3.3
71.04963	2.4
79.05486	1.8
81.03392	7.2
81.07049	5.5
84.08131	1.8
85.02903	10.5
86.09766	1.1
89.03893	1.1
93.07019	1.7
94.06561	10.2
95.04940	3.7
95.08585	3.3
97.02880	85.4
97.06494	1.1
98.03175	1.5
99.04438	4.4
108.08088	2.4
108.63374	1.0
109.02866	6.8
109.06577	1.5
109.10139	24.2
110.05991	2.8
112.07589	1.3
116.04957	5.4
119.08574	2.1
121.10123	1.2
122.06017	22.8
123.04414	4.1
127.03901	10.5
137.05983	2.9
137.09592	48.6
137.10655	2.4
138.09970	1.3
140.07045	30.3
140.08105	1.0
144.04402	11.8
145.04924	2.2
146.05956	7.1
147.08067	1.9
155.10661	3.9
162.05481	5.7
164.07030	1.3
165.05481	1.8
165.09091	33.4
172.03912	54.5
173.04230	2.2
174.05501	3.0
183.10182	2.6
190.04990	2.8
201.11186	2.4
204.06540	100.0
205.06879	2.8
206.08076	12.4
313.11679	2.3
327.08786	1.1
327.12991	1.1
331.12671	2.5
345.14499	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	345.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.01860	2.2
55.05500	1.9
55.28456	0.6
57.02089	0.6
57.03424	2.2
62.51040	0.6
63.38469	0.6
65.03931	1.5
67.05495	15.1
68.99782	2.3
69.03423	12.0
69.07053	2.6
69.40229	1.3
69.40636	6.3
70.06596	1.2
71.01340	1.7
71.04970	2.9
72.04517	0.8
79.05479	3.3
81.03405	9.8
81.07039	10.6
85.02886	13.1
85.83929	0.6
86.09718	0.9
90.89875	0.8
91.05471	3.1
93.07037	4.0
94.06541	2.7
95.04970	5.5
95.08605	6.5
97.02879	100.0
97.06505	1.1
98.03215	2.1
99.04445	4.4
99.08079	1.0
103.05456	0.8
105.03378	0.8
105.07002	1.6
107.04955	1.1
107.08591	2.3
109.02866	15.0
109.06507	2.0
109.10139	31.8
110.06025	0.9
110.10505	1.2
111.04424	3.3
116.04971	1.5
119.04910	0.8
119.08580	2.8
121.02835	3.8
121.10147	2.3
122.06017	5.3
123.04419	6.5
124.01495	0.8
125.02322	0.9
127.03894	15.0
133.02873	0.7
133.10002	0.9
137.02327	14.7
137.03352	0.8
137.05962	1.2
137.09598	46.1
138.09956	1.4
139.03903	1.1
140.07042	7.2
141.06990	0.8
142.03166	1.5
144.04446	2.9
145.04947	2.9
145.10120	0.8
146.05966	1.6
147.04404	1.9
147.08029	2.7
147.11574	0.6
149.02330	2.9
151.03888	2.0
153.01810	2.6
155.10681	5.2
161.02324	2.7
162.05501	1.9
163.03883	1.9
164.07098	1.2
164.22647	0.7
165.01802	1.9
165.05461	2.8
165.09099	36.9
166.09525	1.1
167.03380	38.4
168.03743	1.8
170.02003	0.6
172.03911	12.9
172.05330	0.9
173.04218	0.7
173.05873	0.9
175.03848	2.3
177.01782	2.8
179.03380	13.3
181.04965	1.0
183.10130	2.1
187.03923	1.0
191.03406	1.0
193.04997	1.4
193.08722	0.7
194.45972	0.8
195.02873	2.5
197.05907	0.8
201.05397	1.0
201.11165	3.6
204.06540	16.4
205.04900	1.1
205.06886	1.2
206.08086	3.4
225.05519	0.8
228.04144	2.2
229.05009	1.4
243.64392	0.7
245.04439	0.8
245.12189	0.7
253.04964	1.3
256.03345	0.9
256.19614	0.7
257.04538	1.5
271.05936	2.5
273.03897	1.7
274.04568	1.9
284.03079	8.5
285.03885	1.3
292.22592	0.7
299.05423	13.7
300.05649	1.1
300.12375	1.3
301.03424	4.9
302.04181	10.9
303.04852	1.8
309.03595	0.7
309.13382	1.1
310.04391	0.9
312.02563	2.4
315.04858	1.8
316.05768	4.2
317.06534	6.6
318.06787	0.7
327.04935	31.2
327.08478	1.7
327.23523	1.6
328.05304	3.9
328.24576	0.9
329.02878	2.0
330.03583	1.2
345.05984	94.7
345.24600	3.3
346.06262	9.2
346.25748	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2419
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
55.05507	4.1
65.03940	1.6
67.05499	13.1
69.07053	3.3
70.44403	3.7
78.38100	1.5
79.05479	11.4
79.97397	1.6
81.07045	19.8
83.08611	2.1
91.05459	18.1
93.07031	16.5
95.04953	2.5
95.08588	9.3
95.29632	1.5
97.06526	3.5
105.03356	1.5
105.07005	25.6
107.08579	22.5
109.10146	14.6
117.06976	8.8
119.08558	14.5
121.06492	1.7
121.10136	22.2
128.06161	2.0
129.07008	3.1
131.08540	13.5
133.10120	30.6
133.11127	1.7
135.11720	8.0
135.12656	1.4
136.78014	1.5
137.09607	2.0
141.06932	1.8
142.07819	3.7
143.08543	14.0
144.09322	2.8
145.06424	1.6
145.10109	26.2
145.11229	2.6
147.11671	28.8
151.11165	3.8
153.09073	1.6
155.08524	2.3
157.10104	33.7
158.10548	1.5
159.11670	41.3
161.13222	7.6
163.11186	3.0
169.10132	4.0
171.11684	11.6
173.13234	8.8
175.11194	4.5
183.11673	5.3
185.13222	7.3
197.13219	9.6
199.14709	3.5
207.06108	1.5
211.14746	7.6
213.16301	4.6
224.15529	2.3
225.16357	4.0
231.13783	5.6
238.17007	2.0
239.17776	3.8
251.18001	3.4
253.04930	1.4
253.19485	100.0
254.20137	15.4
255.14159	1.9
271.20520	63.7
272.21106	2.8
281.22507	3.4
285.18442	1.9
309.22089	6.7
327.23141	43.5
345.20584	2.1
345.24261	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	345.2419
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
55.05495	2.6
67.05497	14.1
69.03400	2.4
69.07062	3.4
69.82685	4.2
69.83086	11.0
79.05486	14.8
81.03394	3.7
81.07046	24.8
83.04975	2.9
83.08617	2.0
84.51971	1.8
91.05463	16.2
93.07023	14.7
95.04936	3.3
95.08579	11.1
97.06499	2.0
105.06995	20.4
105.07504	1.7
106.71646	1.8
107.04967	4.2
107.08575	20.7
109.06519	2.9
109.10133	15.3
111.08066	2.1
117.07007	7.3
119.08569	16.2
121.10145	18.9
123.04427	2.0
123.11716	2.3
129.07008	3.2
131.08563	14.1
133.10103	27.3
135.11693	10.8
137.09639	7.1
143.08545	14.2
143.11768	1.8
145.10104	27.9
147.11662	26.6
151.11172	4.1
155.08528	2.2
157.10098	31.1
159.11681	34.2
161.09622	3.8
161.13251	6.4
163.11240	2.7
165.05493	2.1
165.09035	4.2
169.10060	5.0
171.11626	10.8
173.01213	2.0
173.13257	6.5
175.11128	3.6
183.11684	4.8
185.13216	5.6
187.14888	2.1
197.13225	8.6
199.14714	4.4
211.14809	8.4
213.16388	2.6
225.16315	4.9
231.13560	4.3
236.88158	2.2
238.17149	2.3
239.17911	4.8
244.94289	2.4
251.17931	4.8
253.19473	100.0
254.20232	12.1
271.20529	61.8
272.20847	4.3
281.22699	4.5
299.12897	2.4
309.22058	6.7
313.10574	2.7
317.13824	3.6
327.23129	45.9
345.09662	2.3
345.24237	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	346.2581
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
53.03938	0.8
55.01860	0.8
55.05505	3.9
56.05009	0.9
56.49137	0.3
57.06838	0.4
57.07067	4.6
58.06582	0.3
60.04514	1.1
61.02657	0.4
61.02914	5.0
65.03914	0.7
66.10284	0.3
67.05495	2.6
68.05029	2.0
69.03415	0.4
69.07058	2.6
70.06577	1.0
70.14436	0.3
70.44819	1.2
71.08614	2.0
72.04484	0.9
73.02898	0.9
74.06070	0.6
75.15766	0.3
79.05457	1.2
80.05004	4.6
81.03403	0.4
81.05772	0.5
81.07048	2.0
82.02935	0.4
82.06570	1.6
83.04958	1.0
83.08585	1.1
84.04493	4.9
85.10154	0.6
86.06033	0.5
87.04469	0.3
91.03944	0.6
91.05458	0.7
93.05797	0.4
93.07000	1.3
94.06548	3.9
95.03938	0.3
95.04944	1.1
95.08601	1.9
96.04460	1.8
96.08090	0.7
97.02891	0.4
97.10148	0.8
98.06036	1.3
100.03970	0.4
105.06980	0.5
106.06523	1.1
107.07327	0.6
107.08587	0.4
108.04446	0.9
108.08092	0.8
109.05235	0.4
109.06503	0.5
109.10125	0.7
110.06020	4.0
111.04428	0.5
112.03945	0.6
112.07613	0.6
114.05464	0.4
119.08488	0.4
120.08070	0.5
122.06020	4.5
122.09654	0.4
123.06809	0.7
124.07548	1.3
134.06006	0.9
134.09572	0.4
136.07506	0.8
148.11157	0.4
177.03267	0.3
182.18980	0.5
196.20621	0.4
197.02837	0.3
202.10672	0.7
210.22176	0.9
220.20450	0.4
222.22136	3.4
232.20517	0.3
234.22209	1.5
238.21620	38.7
239.22032	1.6
246.22336	0.4
250.21727	1.9
262.21628	1.3
263.22263	0.5
264.23160	1.5
268.19873	0.4
268.22675	0.3
280.22690	1.2
292.22629	2.0
298.23596	0.6
310.23636	3.9
328.24759	2.1
346.25824	100.0
347.26196	5.4
356.95685	0.3
360.10327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2582
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
55.01850	0.7
55.05495	2.9
56.05035	3.9
57.03428	7.1
58.06588	0.8
60.04517	19.8
67.05494	4.6
68.05017	5.3
69.03411	1.3
69.07050	3.3
69.86987	3.9
70.06566	2.0
72.04492	2.9
73.02898	0.9
79.05464	3.0
80.04996	6.3
81.07053	7.5
82.06565	4.3
83.04932	1.1
83.08589	1.7
84.04489	2.1
85.02910	1.3
85.06525	2.1
86.06046	1.4
87.23846	0.7
90.05533	1.6
91.05466	1.9
93.07015	3.0
94.06577	3.3
95.04923	0.8
95.08597	6.5
96.04451	1.6
96.08112	1.8
96.08901	0.6
97.10159	1.0
98.06058	2.0
98.21423	1.2
99.08094	0.9
100.07579	2.1
105.06989	1.1
106.06513	1.7
107.08572	1.5
109.10152	2.6
110.06024	5.6
110.10423	0.7
114.05518	2.1
119.08603	1.6
120.08079	1.1
121.10097	1.2
122.06010	1.2
123.04394	2.2
123.11698	1.3
124.04708	1.5
124.07578	0.8
132.06546	17.6
134.09651	1.4
135.11703	0.9
147.04381	0.8
148.04733	0.9
149.13239	0.8
151.03903	1.6
151.05736	0.7
152.04185	0.8
176.10725	0.9
194.08954	0.8
222.52084	0.8
226.21643	3.4
236.20047	0.9
240.23170	2.5
242.05357	0.7
250.21611	7.0
252.23227	3.4
252.40559	0.7
262.21613	8.4
264.23199	5.0
268.22656	22.0
269.23019	1.2
270.04767	1.9
274.21564	5.2
280.22684	6.4
282.24130	1.1
285.07098	6.6
288.05777	1.3
292.22662	19.4
293.23148	1.0
298.04196	0.8
302.17389	1.5
304.08765	1.2
310.23688	10.6
312.05603	1.2
313.06638	1.1
314.06989	0.9
316.05359	2.7
328.24753	34.3
329.25006	2.3
330.06882	2.7
331.07605	3.1
346.06314	1.8
346.09958	21.0
346.25821	100.0
347.10248	2.1
347.26120	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05503	16.4
56.05027	9.4
56.82060	1.5
57.06798	1.9
57.07064	20.2
58.06580	3.3
59.16806	1.3
60.04515	100.0
65.03923	1.4
67.05490	31.5
69.07052	20.6
70.02921	1.7
70.06573	4.6
71.08610	8.9
72.04486	4.7
74.06074	2.1
79.05482	29.1
81.07040	31.3
81.93504	1.5
82.06569	14.1
83.04961	12.2
83.08607	15.1
84.04485	5.1
85.03043	1.3
85.10162	5.5
86.06052	22.4
88.03986	11.5
91.05450	6.7
93.07034	25.6
95.04987	1.5
95.07370	1.5
95.08591	29.8
95.97234	1.3
96.08109	4.0
97.06503	4.3
97.10146	9.6
98.06038	3.2
99.06831	2.1
100.03947	1.6
103.36857	1.4
107.08575	14.0
109.10150	14.9
110.06021	4.3
111.08000	1.8
111.11665	2.6
116.07062	2.7
118.05009	2.6
121.10133	19.1
123.11674	6.3
135.11670	10.6
137.13179	1.9
149.13213	3.3
165.16336	1.8
234.15100	1.7
247.24265	8.1
254.28369	5.3
264.26816	15.1
265.25211	33.1
270.27869	8.4
280.26254	4.3
282.27878	74.3
283.28351	2.8
292.26300	25.6
300.28952	30.1
310.27386	28.7
317.49863	1.6
318.30023	3.3
328.28421	36.7
328.32217	2.7
336.27390	1.4
339.58420	1.6
346.33139	5.6
357.17368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
56.05027	7.9
57.03424	0.6
57.07065	4.3
58.02933	0.4
58.06581	0.6
59.26628	0.3
60.04515	100.0
60.11250	0.3
61.04849	0.5
67.05492	4.2
68.05035	0.5
69.03429	0.7
69.07057	4.1
69.41866	0.3
69.88378	1.7
69.88783	0.7
70.06589	1.2
71.04993	0.4
71.08616	1.7
72.04505	1.1
74.06062	2.5
79.05486	2.3
81.07039	3.9
82.06550	0.9
83.04991	1.1
83.08601	2.7
85.10160	0.8
86.06058	1.2
88.07620	1.0
90.05546	1.1
91.05461	0.8
93.07024	2.1
93.88241	0.3
95.04932	0.4
95.08600	3.7
96.08126	0.8
97.10151	2.1
107.08586	1.4
109.10158	1.4
110.09705	0.4
111.08105	0.4
111.11729	0.3
121.10115	0.7
123.04411	0.6
123.11743	0.6
135.11725	0.7
148.04692	0.5
165.05464	0.6
166.05782	1.2
176.04274	0.7
193.05003	0.6
194.05261	0.5
206.05354	0.5
214.88704	0.4
224.65666	0.3
248.04022	0.3
266.28448	0.4
268.30124	0.4
280.30002	1.8
282.31451	0.8
284.29382	1.5
292.30023	2.4
293.28372	0.8
298.30957	2.0
306.42700	0.4
310.30991	16.4
311.31375	0.9
328.08801	0.9
328.32047	18.6
329.32397	0.9
346.10016	0.9
346.33105	42.1
347.33386	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	347.0753
Annotation	Quercetagetin 3,3'-dimethyl ether
Peak:m/z	Relative Intensity
55.44122	0.3
67.05496	0.3
68.99779	0.8
69.03402	0.9
70.06558	0.4
71.01311	0.3
71.45500	0.6
76.65270	0.3
77.71889	0.3
79.05476	0.5
81.03408	0.7
81.07043	0.5
84.08146	0.3
91.05469	0.9
92.02609	0.6
93.03412	0.3
93.06998	0.6
95.01308	0.3
95.04956	0.5
95.08578	0.3
97.02824	0.3
103.05412	0.3
105.06983	0.4
107.04923	0.3
107.08595	0.6
109.02874	0.3
111.04426	0.3
115.05414	0.3
117.07000	0.3
119.08560	0.3
121.02853	1.1
123.04407	1.2
127.03820	0.3
128.06186	0.4
129.07050	0.3
131.04953	0.5
132.05704	0.3
135.04427	0.6
137.02322	6.3
137.03345	0.3
139.03865	0.4
142.04086	0.3
145.06470	0.7
147.04414	2.3
147.08060	0.6
149.02269	0.3
150.03096	1.2
151.03868	0.6
152.01003	0.3
153.01822	1.2
153.05431	0.3
155.04874	0.5
155.08464	0.4
156.05597	0.4
157.06444	0.5
159.04256	0.4
160.05225	0.5
161.05934	0.4
163.03918	0.8
164.04677	0.7
165.01813	0.6
165.09128	0.7
167.03383	4.0
169.01300	1.2
171.04340	0.8
173.05972	1.2
174.06732	1.1
175.03911	0.3
177.01784	0.6
177.05382	0.5
178.98918	0.3
179.03394	0.5
183.02898	0.4
184.05185	2.3
185.00830	0.4
185.05942	1.5
186.01596	0.8
187.03874	1.2
188.04713	0.6
189.05394	0.5
191.03436	0.5
197.05957	0.5
199.03903	0.6
200.04675	1.0
200.06583	0.3
201.05409	2.9
202.06198	1.9
203.03384	2.4
203.06911	0.4
207.02910	0.4
211.03964	0.4
212.04620	2.9
213.05443	3.0
214.06123	0.6
215.03445	1.5
215.06894	1.7
216.04155	1.0
217.04980	1.4
218.05557	0.3
219.02846	0.4
227.03410	0.9
228.04123	0.9
229.04965	4.0
230.05713	3.7
231.06404	2.6
233.04420	1.3
239.03276	0.4
240.04265	1.5
241.04883	2.9
242.05614	0.7
243.02844	0.9
243.06451	2.3
244.03690	1.4
245.04430	1.7
245.08035	0.4
247.05957	0.4
255.02969	0.7
256.03674	0.4
257.04431	2.6
258.05231	5.3
259.05978	5.5
260.06689	0.4
261.04041	1.3
267.02866	0.3
268.03619	1.6
269.04407	6.1
270.04825	0.4
271.02481	0.3
271.05978	1.5
272.03131	2.0
273.03891	1.5
273.07404	2.1
274.04691	0.4
275.05365	0.3
283.02460	0.8
285.03897	3.0
286.04691	18.5
287.05463	9.4
287.08691	0.4
288.06122	2.2
289.03400	5.3
289.06662	0.4
290.03711	0.4
291.08557	0.9
296.03159	0.7
297.03888	8.0
298.04422	0.5
300.02606	1.4
301.03394	2.8
301.07040	4.4
302.04062	0.9
303.04959	2.2
303.08621	3.8
304.05991	0.6
313.03378	3.7
314.04135	8.5
315.04993	7.0
316.05801	0.6
317.02917	1.8
317.06424	0.6
318.03534	0.4
319.08054	7.6
329.06458	4.6
329.10266	0.4
331.04456	19.7
332.05209	12.8
347.07574	100.0
348.07886	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	347.0755
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
68.99760	0.2
70.11002	1.1
87.17413	0.2
98.21429	0.3
105.07011	0.2
109.96090	0.2
111.00800	0.3
121.02835	0.5
126.03110	0.2
128.06195	0.4
131.04846	0.5
137.02306	0.8
144.12411	0.3
145.06459	0.7
145.10014	0.4
146.07234	1.0
153.01796	2.1
154.34454	0.2
156.05634	0.7
165.01785	0.5
167.03416	0.4
173.05951	1.1
174.06718	1.5
178.02661	0.4
183.04443	0.4
184.05174	3.1
185.05803	0.3
188.04663	0.3
191.03325	0.6
201.05446	1.8
202.06223	1.4
203.03395	0.5
207.02827	0.8
212.04625	2.8
213.05446	2.1
219.02878	3.3
228.04218	0.5
229.04926	5.1
230.05711	3.5
231.05911	0.2
239.03226	0.3
240.04181	1.5
241.04916	2.0
243.02870	0.8
257.04379	2.8
258.05219	5.0
268.03607	0.9
269.04382	2.0
274.04611	0.4
278.71588	0.2
285.03857	1.6
286.04672	37.0
287.04987	1.3
289.03415	0.9
297.03894	2.3
301.03506	1.1
302.03973	1.3
303.04944	4.6
313.03391	4.3
314.04153	12.8
315.04938	5.9
316.05103	0.3
317.02811	0.6
318.03644	3.1
326.54236	0.3
331.04449	15.0
332.05206	8.6
347.07556	100.0
348.07904	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	347.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50278	0.9
55.01866	5.4
55.05505	1.3
58.89164	0.7
60.04523	0.8
65.03930	1.1
67.05492	2.8
69.03429	1.4
69.07044	1.8
70.06576	2.1
71.70131	1.2
72.08141	1.7
75.32665	0.9
79.05475	2.5
81.07041	3.1
83.04947	1.2
84.04499	0.8
85.02876	0.9
91.05438	1.8
93.07037	2.0
94.06569	2.4
95.04932	1.0
95.06892	1.1
95.08586	1.2
97.02902	2.5
105.07038	2.0
107.08567	1.7
108.04475	1.3
109.06507	0.9
109.10129	1.9
110.06037	1.0
110.10429	0.9
115.37089	0.8
117.06996	1.2
119.08536	1.2
120.08090	1.5
121.10114	0.8
122.06017	2.7
123.04417	1.1
123.06340	1.1
124.07592	1.1
125.02403	0.9
132.06644	0.9
133.06401	1.0
133.10133	1.1
136.07639	1.0
137.05965	3.3
138.05521	0.9
140.07048	1.6
145.06186	0.9
146.06012	0.8
148.07506	0.9
149.02213	0.8
151.03856	0.8
152.03355	2.0
153.01816	2.5
157.07648	1.1
160.03908	2.1
162.05424	1.3
167.03403	1.8
167.07283	1.1
168.06599	1.3
168.08046	1.1
169.03900	1.1
172.07532	0.8
176.07054	1.1
177.05453	1.2
178.05000	4.0
182.09683	1.9
183.09219	1.1
184.07625	2.0
185.07098	2.2
185.10786	1.7
185.29916	0.9
187.05017	2.9
197.07039	1.6
198.07727	1.2
199.08646	5.9
201.06638	5.1
201.10246	2.5
205.06055	1.4
206.07014	1.1
207.11722	0.8
210.09140	2.5
211.08606	2.0
213.06633	7.2
213.10245	6.6
214.08612	1.0
215.08162	1.0
219.07715	1.6
222.07829	1.0
223.08766	1.2
225.06487	1.5
227.08139	10.6
227.11761	3.0
228.10345	1.4
229.09689	4.5
231.07657	5.8
231.11253	1.0
237.10231	3.6
238.08575	3.2
239.08174	1.9
239.11743	1.1
241.09644	6.4
243.07631	1.5
245.09172	1.8
250.07156	1.1
255.07585	12.1
255.11276	7.8
256.07886	1.1
257.09207	3.1
257.12762	1.3
259.07129	1.2
259.10828	1.9
265.09686	5.1
267.07593	2.2
269.09109	11.2
273.08649	6.6
275.10217	1.1
279.07300	0.9
283.07434	1.1
283.10712	27.9
284.11365	1.0
286.04611	3.2
287.10229	4.7
293.09146	6.2
297.03879	1.6
299.08862	1.1
301.11786	6.1
311.10208	48.2
311.24161	1.5
312.10437	3.1
314.04089	2.1
315.05005	1.8
319.12851	3.4
329.11252	88.4
329.24976	2.3
330.11511	3.4
330.26208	1.2
331.04465	1.2
332.05249	3.8
347.07532	20.9
347.12329	100.0
347.26151	4.6
348.08310	1.9
348.12668	6.5
348.27264	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	347.1233
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01869	3.2
60.96411	0.5
61.86208	0.6
67.05496	1.0
69.07047	0.7
70.25307	2.6
89.96206	0.5
93.06997	1.0
96.04457	0.5
105.07011	0.8
108.04448	1.1
109.10107	0.7
110.06016	0.8
120.08167	0.5
123.04372	0.6
130.06500	0.5
134.06007	1.4
136.07556	0.5
138.05467	0.7
144.08052	0.7
152.03401	1.8
154.31323	0.5
155.08600	0.6
158.05998	0.5
158.09602	0.6
160.03941	1.5
161.04733	0.9
162.05458	1.2
167.07219	0.7
168.06642	0.7
168.08046	0.8
171.09172	0.9
176.07108	1.1
178.04968	3.0
182.09654	1.3
183.09200	0.7
184.07631	0.8
184.11224	0.6
185.07118	2.3
185.10707	1.7
186.09224	0.6
187.05017	2.6
194.09679	0.7
196.07570	0.8
197.07040	1.2
197.10789	0.6
198.07837	1.0
199.08626	5.9
200.07037	0.6
201.06598	4.2
201.10175	1.3
202.08566	1.0
205.06064	0.9
208.09576	0.8
209.06969	0.7
209.10811	0.8
210.09111	1.2
211.08626	3.1
212.10863	0.7
213.06583	5.8
213.10167	5.2
215.11682	0.5
222.07779	0.6
223.08675	1.0
225.06462	0.7
227.04593	0.8
227.08131	8.8
227.11665	2.9
228.06628	0.7
228.10242	0.9
229.09679	4.1
229.13261	0.7
231.07631	4.3
237.10167	2.8
238.08516	2.4
239.08087	1.8
239.11716	1.2
240.10167	0.8
241.06071	0.6
241.09673	5.7
242.06842	0.6
243.07664	0.7
243.11276	0.6
245.09177	1.5
250.07204	0.8
251.08037	0.8
255.07622	10.4
255.11226	7.0
256.11871	0.6
257.09180	2.4
257.12848	1.0
258.05148	0.7
259.07056	0.8
259.10861	1.0
265.09750	4.1
266.08133	0.7
267.07690	1.6
269.09134	7.5
273.08713	5.2
275.10327	0.8
283.10730	21.4
285.08621	0.8
285.11462	0.5
286.04678	4.4
287.05280	0.6
287.10159	3.8
289.41345	0.6
293.09146	6.0
301.11761	3.9
301.96985	0.6
303.04819	0.5
311.10205	42.8
312.10501	1.8
313.03391	0.7
314.04236	1.9
319.12799	2.2
329.11267	72.3
330.11545	3.7
331.04578	1.2
332.05154	1.3
347.07672	15.3
347.12332	100.0
347.16620	15.2
348.07925	1.4
348.12601	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	347.1483
Annotation	Antheridic acid
Peak:m/z	Relative Intensity
53.03936	1.9
55.01859	2.1
55.05511	2.1
55.86992	1.4
64.28272	1.4
67.05488	5.5
69.03407	3.4
69.52090	14.2
73.01284	1.3
76.66674	1.4
79.05481	6.6
81.03418	11.2
81.07055	5.5
86.75522	1.3
91.05466	16.1
93.03408	8.4
93.07021	6.3
95.04939	6.7
95.08559	2.1
98.20697	3.0
98.52808	1.6
105.07016	44.8
105.07719	2.6
107.04936	3.4
107.08558	2.2
107.71205	1.5
115.05496	1.8
117.07009	18.3
119.08595	3.7
121.02853	35.2
121.06493	6.3
123.04480	1.6
128.06224	5.0
129.07014	7.6
130.07764	2.6
131.04936	2.5
131.08549	6.2
133.06467	3.0
137.06030	2.0
141.06981	3.6
143.08545	88.3
145.06448	7.0
145.10107	100.0
146.10565	1.9
147.04425	1.7
147.08133	1.5
147.11667	24.0
153.06883	2.4
154.07793	2.0
155.08582	7.8
157.06445	1.8
157.10095	2.4
161.05927	8.7
161.09607	4.7
165.07019	3.2
167.08488	3.6
169.10115	14.2
171.08055	5.2
171.11627	2.7
173.05988	2.1
173.09691	1.8
174.06645	1.7
178.07721	1.9
179.08569	5.5
181.06419	2.6
181.10104	5.0
183.08025	2.2
187.07547	2.1
189.09082	19.0
191.10603	3.8
193.10135	5.7
194.10939	2.0
195.08051	3.4
197.09593	5.4
201.09074	1.6
204.09357	4.3
207.11725	1.5
209.09598	2.5
209.13220	6.8
211.11183	6.1
215.10596	3.3
217.08577	2.2
219.11699	9.1
221.09541	4.3
221.13281	1.7
222.10362	1.9
223.11145	4.7
235.09608	5.5
237.12712	42.8
238.13153	2.8
247.11234	3.8
255.10088	1.8
255.13846	1.5
265.12225	25.6
266.12506	1.4
283.13232	56.2
284.13708	1.7
293.11563	3.4
311.12726	55.9
329.13788	77.9
330.14151	3.3
347.14862	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	347.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01854	6.0
55.05484	2.8
62.40877	2.5
65.03950	2.7
67.05482	11.3
69.03423	6.0
69.07052	4.2
70.06566	5.2
71.70303	4.5
78.73772	2.3
79.05482	14.5
79.55573	2.2
81.03392	25.2
81.07045	13.6
83.04959	3.9
85.02906	2.5
91.05469	33.4
93.07028	14.2
95.04952	15.3
95.08583	8.6
97.06534	2.5
103.05444	3.7
105.07018	57.1
107.04939	4.5
107.08542	5.8
109.06465	5.9
109.10136	5.7
115.05433	5.8
117.06995	28.6
119.08554	9.4
120.08039	2.4
121.02858	5.4
121.06482	7.6
121.10133	4.7
123.08001	3.1
123.72035	2.6
128.06195	9.4
129.06970	9.2
130.07764	4.6
131.04971	2.6
131.08524	8.8
133.06447	3.2
133.10135	7.1
135.07983	5.1
135.11613	2.4
137.05934	2.8
137.09592	5.0
141.06886	3.7
143.08539	30.6
145.06454	7.7
145.10100	100.0
146.07176	3.1
146.10429	4.6
147.07971	6.8
147.11693	15.5
149.09628	2.5
151.07478	2.9
155.08498	6.3
157.10167	5.4
161.05969	4.8
161.09564	9.7
165.07011	3.6
167.08496	4.0
168.09294	3.5
169.10112	11.3
171.08008	11.1
171.11678	3.2
173.05981	15.7
173.07220	2.7
173.09546	3.6
174.06686	3.2
179.08527	7.3
181.06511	4.0
181.10149	4.7
183.08031	6.9
187.07559	5.1
189.09058	9.8
191.08546	2.6
191.10847	2.7
193.10135	2.9
195.08109	3.8
195.11685	3.9
197.09598	6.6
203.08607	3.0
204.09248	4.9
209.13091	3.6
215.10518	2.5
216.09270	3.1
217.08511	13.1
219.11705	6.9
221.13356	4.6
228.09369	2.9
229.10150	3.7
233.09550	4.8
237.12718	13.9
239.14319	3.3
245.09689	2.7
247.11029	7.2
251.10539	6.9
259.11069	4.3
261.03961	7.9
261.08923	4.7
265.12231	33.8
267.13608	6.9
271.07562	2.6
273.09097	5.8
275.10638	3.6
276.11392	3.8
283.13220	12.8
287.10739	6.4
288.11282	9.6
289.03619	2.9
289.08505	7.5
289.11987	3.8
291.13504	3.9
293.11615	8.9
301.08661	5.0
303.10092	3.3
304.10858	9.0
311.12762	56.5
311.16074	3.1
311.23956	3.3
315.10098	5.5
316.10892	10.0
317.02866	18.8
317.08112	3.5
319.13223	34.0
329.13895	15.3
332.05273	7.6
332.10440	16.9
347.07568	25.7
347.12714	35.9
347.22153	3.6
347.26270	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	348.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01858	3.4
60.04506	2.3
65.03925	2.6
67.01840	2.0
67.05489	4.6
68.99768	6.9
69.03403	4.4
70.06576	3.9
71.56467	2.1
71.56819	2.2
77.03935	1.8
79.05477	4.3
79.30589	1.6
80.04978	3.4
84.04483	9.8
86.46029	1.9
91.05444	4.3
94.06513	2.1
95.04942	5.4
96.04457	3.1
99.04462	1.9
103.05402	2.0
105.03386	2.8
106.06515	2.1
107.04894	5.1
107.23480	1.8
108.04436	2.3
109.02856	4.2
109.06477	1.7
110.06007	2.5
111.04403	5.6
112.03965	2.6
118.06497	3.2
119.04913	6.7
121.02863	2.0
121.06513	2.2
122.06017	3.1
123.04405	100.0
124.03944	3.4
124.04753	3.1
124.07486	2.3
125.02380	2.8
126.05473	6.3
127.03868	5.2
131.04893	3.4
132.04402	3.1
133.02769	2.0
134.06000	6.4
135.04358	8.9
136.03903	3.9
136.07584	2.5
137.02293	6.2
137.05949	3.4
138.04419	2.1
138.05453	12.8
139.03870	68.1
140.03389	6.4
142.05000	3.0
146.05972	4.9
147.04356	20.9
148.03905	4.3
149.02318	15.8
149.05862	3.3
150.05473	4.6
151.03922	15.0
152.03389	1.8
152.07054	12.0
153.04211	2.0
154.04964	36.2
155.03355	18.1
161.05963	2.3
162.05479	11.0
163.02647	2.6
163.03889	30.9
164.07048	20.4
165.01837	2.0
165.05414	10.7
166.04982	29.3
167.03336	2.4
168.06528	18.3
169.04861	4.1
173.06026	3.1
176.07045	5.1
177.05420	5.6
178.04967	19.9
179.03374	8.4
179.05505	1.8
180.06529	77.0
181.04874	5.7
182.08171	3.9
184.06079	4.2
185.05908	2.3
187.03897	2.0
188.07063	3.4
189.07808	5.8
190.04933	1.9
192.06561	8.7
193.04869	2.0
194.08102	13.7
196.04271	2.6
196.06015	36.0
198.07715	2.8
201.05385	2.6
202.08688	2.0
204.06537	4.9
208.06003	30.2
210.07535	15.5
218.08188	2.2
222.07581	6.5
228.06592	2.1
229.04761	2.7
242.08035	2.3
243.06319	2.0
260.08994	2.0
270.07452	4.2
271.05927	5.1
285.07339	2.1
287.05344	3.4
288.08609	8.3
289.06894	2.5
292.47711	1.8
302.10205	3.3
306.09689	8.6
312.08615	7.8
313.06921	2.6
321.16861	4.8
330.09595	25.8
331.08044	5.0
348.10684	68.3
349.10950	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	348.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
54.82571	1.8
55.01856	4.0
55.05490	2.6
60.04516	1.9
65.03919	4.1
67.05492	2.9
68.99776	6.7
69.03426	3.1
69.55176	4.2
69.55596	11.9
70.06574	4.9
79.05447	3.5
80.05025	2.5
81.03422	2.5
81.07035	2.9
84.04497	6.1
85.02882	3.1
91.05468	5.7
93.03392	2.7
94.06579	2.3
95.01320	2.7
95.04938	6.8
96.04491	2.0
97.02859	3.7
103.05456	1.9
107.04955	7.4
107.08550	1.7
108.04462	5.1
109.49135	1.7
110.06043	2.9
111.04436	5.3
112.03952	2.5
113.61448	1.6
115.05388	2.2
118.06499	6.8
119.04918	8.6
121.02856	3.8
122.06040	2.1
123.04412	100.0
124.04751	3.6
125.02320	2.7
126.05497	6.1
127.03883	6.3
129.06999	3.2
130.06506	5.3
132.04451	3.3
133.02858	3.0
134.06007	5.8
135.04402	11.2
136.03888	5.9
136.07556	2.2
137.02356	4.4
137.05928	4.3
138.05458	12.8
139.03885	68.9
140.03412	4.9
142.04970	4.8
144.08041	15.5
145.06439	2.1
146.05986	4.6
147.04391	15.7
148.03857	5.3
149.02315	15.7
149.05952	3.6
150.05467	4.1
151.03877	12.2
152.03313	2.0
152.06998	7.1
153.01785	4.0
153.05479	2.8
154.03743	1.7
154.04968	37.5
154.06328	3.2
155.03346	13.7
155.05219	1.9
155.07156	2.0
156.08011	4.3
158.06030	5.0
160.07527	3.2
162.05508	12.0
163.03883	31.6
164.07082	16.0
165.04247	2.2
165.05457	8.7
166.04987	37.3
166.08646	1.9
167.03471	2.7
167.05495	2.2
167.07076	2.0
168.06564	16.4
172.07568	11.3
175.03882	2.1
176.07091	5.5
177.05446	7.3
178.04938	13.3
179.03409	6.5
179.05060	1.6
180.06534	56.8
180.07932	2.5
181.04933	4.5
181.06879	2.5
182.08040	2.8
184.06136	2.2
184.07579	4.7
186.05438	2.7
187.03970	2.1
188.07031	2.7
189.07790	2.3
190.08594	3.1
192.06535	8.3
194.08107	7.4
195.02850	4.4
196.06030	22.8
197.06041	3.5
204.06618	4.4
208.06027	37.6
210.07578	14.0
213.05559	3.0
229.04861	3.2
230.09100	2.1
231.06371	2.2
250.11449	2.3
270.07462	2.9
271.05878	6.5
284.09186	3.9
287.05408	2.6
288.08740	6.3
289.06900	3.7
302.10104	4.0
303.08673	3.5
306.09653	7.6
312.08670	5.5
313.06854	2.6
330.09576	19.4
331.08157	5.1
331.12082	2.5
348.10669	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	348.2737
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
52.91594	0.8
55.01851	0.9
55.05507	8.3
56.05031	4.1
57.03426	1.3
57.07061	3.0
57.43803	0.7
58.06593	3.9
60.04523	2.2
65.03928	1.1
67.05492	9.8
68.52139	0.7
69.03419	1.7
69.07065	4.4
70.06589	5.6
71.04973	3.8
71.70206	1.4
74.06056	3.4
79.05481	4.8
80.04997	2.3
81.07043	10.1
82.06575	6.5
83.04967	2.9
83.08607	2.1
84.04491	1.0
84.08127	6.7
85.06535	3.5
86.06044	1.3
91.05467	3.3
91.48884	0.8
93.07027	5.7
94.06552	10.9
95.04969	1.6
95.08584	7.1
96.08131	2.1
97.06515	1.4
98.06053	2.0
98.09673	1.9
99.04436	0.9
100.11242	3.4
105.07022	1.9
106.06533	1.0
107.04919	0.8
107.07324	1.1
107.08597	4.4
108.08108	4.7
109.06468	1.4
109.10146	3.1
110.05997	2.2
116.07074	21.6
119.08539	1.6
120.08102	2.0
121.02911	0.8
121.10108	2.8
122.09653	1.0
123.06847	0.9
123.08100	1.2
123.11681	1.6
124.07567	2.6
126.09203	0.9
133.10092	1.2
135.08032	1.5
135.11700	1.2
136.07567	2.5
140.07071	1.1
142.08586	0.8
145.10088	0.9
153.01816	3.2
153.41777	1.0
169.10077	0.9
173.87605	1.0
182.15451	2.0
226.21638	2.5
227.07991	1.2
234.22203	1.4
243.11113	1.1
248.23741	1.7
252.23193	17.3
256.07959	1.2
258.22284	0.9
264.23114	1.3
266.24722	8.2
270.09525	1.2
270.24207	9.1
271.10852	1.7
276.23181	13.7
276.72885	1.6
284.10992	2.6
285.23724	1.1
287.13663	1.3
290.18527	0.9
294.24255	15.1
305.14761	1.0
312.10675	4.8
312.25290	12.6
313.11652	1.4
317.11340	0.9
330.11551	7.6
330.26343	32.4
331.11804	2.0
331.26663	1.4
342.12506	1.2
348.08252	1.7
348.12738	8.6
348.27414	100.0
349.13544	1.3
349.27890	4.1
373.13794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01865	0.5
55.05504	4.9
56.05028	3.0
57.03409	1.0
57.07068	2.2
58.06594	1.8
60.04518	37.5
65.03939	0.6
67.04227	0.5
67.05496	4.0
68.05022	8.5
69.03417	1.4
69.07066	3.5
70.02943	1.1
70.06577	1.8
71.08612	1.4
72.04506	3.3
73.02902	1.5
74.06064	0.6
74.54565	0.4
79.05493	1.9
80.05013	7.0
81.03388	0.5
81.07047	4.0
82.06088	0.4
82.06564	7.1
83.04957	0.9
83.08604	2.3
84.04494	6.3
84.08134	0.4
85.02883	1.5
85.10194	0.7
86.06061	4.0
87.04473	0.4
87.78321	0.3
90.05561	0.4
90.49657	0.4
91.05473	1.0
92.04975	0.7
93.07008	1.1
94.06561	1.6
95.04988	0.4
95.08585	3.5
96.04478	4.9
97.10142	0.9
98.06043	4.3
100.07613	1.0
102.05486	1.7
105.07012	0.9
106.06556	0.4
107.08595	0.7
108.08086	0.9
109.10133	1.1
110.06030	5.1
112.07544	0.3
114.05516	7.1
116.07071	2.3
119.08571	0.7
121.10120	0.5
122.06007	0.4
123.11713	0.6
126.05547	0.4
128.07071	4.6
130.05000	0.6
131.08499	0.4
132.06549	47.6
133.06909	0.4
135.11710	0.5
137.55086	0.4
140.07004	0.5
143.81686	0.3
144.06577	0.6
145.10135	0.5
146.08099	4.8
158.08122	0.5
162.07614	0.8
197.69087	0.4
207.14995	0.4
210.22101	1.1
222.07899	0.4
222.22079	0.5
224.23590	0.6
234.22185	0.4
236.23685	0.6
246.22298	0.5
247.20882	0.3
248.23714	0.5
252.23215	6.1
264.23181	1.0
266.24789	1.0
270.24216	3.0
275.20142	0.7
276.23227	1.0
294.24353	2.3
312.25272	11.0
312.28781	0.7
330.26343	11.6
348.27399	100.0
349.01465	0.3
349.27658	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	348.2739
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03934	0.6
53.52406	0.4
55.01852	0.9
55.05501	3.6
56.05034	2.8
56.87426	0.4
57.03419	0.9
57.07068	5.0
58.06577	1.1
59.26383	0.4
60.04519	28.5
65.03918	0.4
67.04230	0.5
67.05492	5.4
68.05019	11.0
69.03423	0.9
69.07050	4.0
70.02933	0.6
70.06578	2.0
70.82981	1.0
71.04988	0.8
71.08627	2.7
72.04505	7.5
73.02915	0.9
74.06062	1.5
79.05481	1.8
80.05008	11.0
81.03381	0.7
81.07044	4.4
82.06567	8.4
83.04955	1.5
83.08602	2.5
84.04495	4.1
85.02898	1.8
85.10156	1.5
86.06053	2.0
90.05543	2.3
91.05494	0.6
93.07024	1.8
94.06544	2.5
95.04938	1.4
95.08589	5.7
96.04475	3.7
96.08082	0.5
97.10136	1.7
98.06039	6.8
98.89236	0.4
102.05530	1.7
105.07023	0.9
106.06552	0.8
107.04967	0.4
107.08578	0.8
108.08109	0.6
109.06500	0.5
109.10132	2.1
110.06031	3.9
111.04420	0.4
111.11691	0.5
112.07610	0.5
114.05502	3.5
116.07070	3.4
118.60013	0.4
119.08567	0.6
121.10117	0.8
122.09655	0.5
123.11694	1.1
128.07066	3.4
128.07962	0.6
132.06544	21.6
133.06876	0.4
133.10120	0.7
140.07018	0.7
142.14722	0.4
146.08090	1.9
162.07603	0.6
222.52023	0.3
223.20634	0.6
224.23761	0.4
228.23141	0.8
234.22304	0.4
236.23679	0.4
239.32083	0.4
248.23801	0.5
252.23206	3.4
264.23196	6.4
265.21588	0.5
266.24728	1.3
270.24338	1.3
275.20004	0.6
276.23196	2.0
294.24170	3.7
312.25290	9.1
313.25446	0.7
330.22385	0.9
330.26331	16.7
331.26709	0.9
337.28107	0.4
348.27393	100.0
349.23730	0.8
349.27716	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	348.2738
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.05508	7.6
55.09645	0.7
56.05016	2.4
57.03411	0.8
57.07059	2.3
58.06571	0.8
59.04959	0.6
60.04515	26.2
67.05489	10.9
67.63788	0.7
68.05014	3.4
68.08777	0.7
69.03426	0.6
69.07059	7.7
69.80656	4.6
70.06569	2.3
71.04980	0.8
71.08612	1.1
72.04506	3.9
72.08148	1.1
73.02890	0.7
74.06068	1.2
79.05482	5.4
80.04994	7.5
81.03393	1.8
81.07039	10.3
82.06551	4.0
83.04965	1.7
83.08595	3.5
84.04483	2.0
84.08121	1.2
85.02877	0.8
85.19711	0.6
86.06039	1.4
88.18476	0.5
90.05534	0.6
91.05440	3.2
92.42512	0.7
93.07030	5.4
94.06555	4.9
95.04955	1.3
95.08582	8.7
96.04479	4.1
96.08110	1.7
97.06503	1.6
97.10150	1.9
98.06062	3.0
98.20694	1.1
100.07603	2.3
105.07014	2.4
106.06535	1.6
107.04972	0.9
107.08562	3.4
108.08104	1.1
109.02788	0.6
109.05234	0.8
109.06517	1.3
109.10118	5.1
110.06016	4.3
112.07577	1.4
112.49850	0.6
114.05510	2.0
116.07119	0.8
117.06988	1.2
119.08559	1.9
120.08071	1.6
121.10125	2.3
122.06005	1.8
123.04414	0.9
123.08028	0.8
123.11693	1.4
124.07571	1.4
126.05515	0.7
130.04942	0.7
131.08549	1.2
132.06543	17.3
133.10129	1.3
135.11670	1.0
136.06235	0.7
136.07655	0.8
137.09576	1.4
140.07068	1.9
140.41309	0.6
142.08664	0.9
143.08548	1.1
145.10072	1.3
149.09595	1.2
149.13254	0.8
158.08142	0.9
159.11647	0.8
161.13338	0.8
163.03882	0.8
171.11610	0.7
210.22180	1.4
222.22079	0.7
226.21567	0.9
229.12167	0.7
231.06772	0.8
234.22144	2.3
246.22118	5.1
248.23715	1.5
252.23186	24.2
253.23582	1.5
258.22177	1.1
261.38727	0.6
264.20758	0.7
264.23257	3.1
266.24741	3.7
270.24219	10.1
276.23123	7.1
294.21149	0.4
294.24240	13.3
294.27289	1.3
312.25284	32.8
313.25552	1.4
330.22336	1.6
330.26324	33.3
331.26563	0.9
348.27377	100.0
349.27902	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	348.2738
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.01862	1.2
55.05504	6.2
56.05022	1.8
57.03427	1.6
57.07061	5.5
58.02945	1.8
60.04514	47.8
61.59010	0.7
65.03904	0.8
67.05492	11.8
68.05006	2.9
69.07054	10.7
69.81454	3.3
69.81860	1.5
70.02932	2.0
70.06571	1.1
71.04977	1.4
71.08620	3.4
71.32227	0.7
72.04493	5.5
72.08144	0.9
73.02914	1.3
74.02427	100.0
74.06059	1.2
79.05489	6.4
80.04999	2.2
81.03398	1.7
81.07043	15.2
82.06557	1.7
83.08605	7.0
84.04482	1.1
85.06551	1.0
85.10188	1.3
86.06074	1.1
90.05539	3.2
91.05465	4.8
93.07008	5.0
95.04946	1.7
95.08587	16.4
97.06523	2.0
97.10146	4.6
98.06081	0.7
98.21226	2.1
102.05535	1.0
104.03452	4.9
105.07006	4.7
107.04929	1.1
107.08560	3.9
109.06490	1.0
109.10140	8.3
111.08081	0.8
111.11712	1.4
112.03970	1.1
117.06963	0.8
119.08570	2.9
121.10121	1.9
123.08068	1.0
123.11715	2.7
125.13293	0.8
131.08528	1.1
133.10106	2.2
134.04495	1.9
135.07951	0.8
135.11656	1.6
137.13205	1.8
145.10107	1.9
147.11682	0.7
151.14816	1.0
159.11694	1.2
161.13159	0.8
179.14384	1.0
205.05763	0.9
207.21149	1.7
212.23782	3.2
225.22064	4.5
231.20985	0.9
239.23723	1.0
241.61536	0.7
248.23637	4.3
250.25311	2.7
257.24820	3.6
266.24725	10.4
268.26410	2.5
275.20056	2.9
284.25806	19.5
285.26163	1.3
294.24237	5.6
302.26834	8.2
307.09653	0.8
312.25354	12.0
312.28806	1.6
330.26352	37.6
330.29834	2.7
331.26788	2.2
348.27466	22.9
348.31210	5.9
349.10965	0.9
349.23779	2.1
349.27692	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1278
Annotation	5'-Hydroxymonocillin III
Peak:m/z	Relative Intensity
53.03923	2.3
55.01851	2.8
55.05506	0.7
57.03416	2.2
57.07064	6.0
59.04967	0.8
62.22974	0.6
65.03925	0.9
66.75647	0.6
67.05497	4.0
68.18014	0.6
68.99776	0.9
69.03407	1.9
69.07043	0.9
70.06561	1.7
71.01334	1.0
71.04964	1.7
71.68718	0.9
73.21960	0.6
79.05480	7.4
81.03413	3.8
81.07050	4.0
83.01311	1.9
83.04951	1.7
85.02879	2.7
85.06542	3.1
86.09669	1.3
87.04457	1.1
91.05461	13.4
93.07032	4.1
95.04964	4.2
95.08525	0.6
97.02886	4.9
97.06523	1.0
99.04451	1.4
101.36977	0.5
103.05435	1.4
103.07549	0.9
105.03401	1.1
105.07010	10.6
107.04914	3.7
107.08556	2.1
109.02859	5.5
109.06484	0.8
111.00826	1.1
111.04386	1.9
115.05430	2.4
117.07005	6.0
118.49545	0.6
119.04909	1.5
119.08582	4.1
121.02797	1.0
121.06474	1.9
122.06020	0.8
123.00790	0.7
123.04437	3.5
125.02346	2.7
127.03886	2.0
128.06203	4.7
129.06978	7.0
130.07742	0.8
131.04967	3.1
131.08540	9.0
132.09239	0.7
133.06464	3.9
133.10118	7.0
135.04411	3.2
135.08028	1.5
137.05937	2.2
139.03888	1.5
141.06976	5.9
142.07774	4.1
143.08543	12.0
145.06477	4.5
145.10100	4.6
146.07172	0.7
147.04366	1.4
147.08017	1.9
149.02296	2.4
149.05997	0.9
153.01796	10.7
153.05338	0.7
153.06976	3.0
154.07722	2.2
155.04950	0.8
155.08525	10.0
156.09291	1.1
157.06453	1.4
157.10118	5.9
158.07236	0.8
159.08040	14.6
159.10150	5.8
159.11526	1.1
160.08755	1.7
161.05936	1.6
161.09601	19.9
163.03908	1.6
163.07501	1.9
164.07057	1.0
165.06993	7.4
166.07794	3.7
167.03317	1.9
167.06998	7.1
167.08530	8.1
168.09256	3.3
169.06441	1.6
169.10089	6.3
171.08064	3.5
171.11684	1.8
173.04414	1.0
173.05910	0.8
173.09581	1.7
177.09113	1.3
178.07738	7.9
179.03329	0.8
179.08521	8.6
180.09296	4.3
181.06500	2.0
181.10094	7.3
182.07314	1.3
183.08087	3.2
183.11671	5.8
185.09613	5.4
185.13219	1.8
187.07571	1.2
187.09666	1.1
187.11127	3.6
190.07761	1.6
191.08549	1.1
192.09341	0.7
193.10103	12.6
194.10713	0.8
195.02856	7.0
195.06438	0.8
195.08034	2.6
195.11667	7.9
196.08775	2.0
197.09596	7.4
199.07498	1.3
199.11182	1.5
201.09120	1.7
202.07747	0.7
203.08543	2.4
203.10512	1.0
205.06631	0.8
205.08524	1.1
205.10106	4.1
206.07269	0.8
207.08101	3.4
207.09889	1.0
208.08693	1.5
209.09573	2.8
211.07588	1.4
211.11147	7.3
213.09061	1.3
213.12685	3.3
215.07027	1.0
221.09575	9.0
223.07576	1.3
223.11142	5.3
224.08276	0.7
225.08969	3.7
226.09822	0.9
227.06941	1.0
227.10626	1.9
231.10181	2.0
239.10645	9.0
241.12219	6.5
243.06613	0.8
243.10022	3.5
247.05923	1.1
249.09096	4.9
251.07080	0.9
251.10640	2.5
254.09196	1.2
257.11673	3.3
267.10074	5.9
269.11603	4.5
271.05981	1.6
271.09619	1.4
275.09030	1.1
285.11084	7.7
287.12778	1.9
295.09647	1.3
303.08557	3.6
303.11877	1.1
313.10690	6.3
321.13559	0.8
331.11707	100.0
332.12015	6.5
349.12839	15.0
349.27737	0.9
350.13351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1639
Annotation	3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
Peak:m/z	Relative Intensity
55.01832	1.6
55.05443	3.9
56.62038	0.6
65.03871	0.6
67.05426	2.6
68.99750	1.0
69.03349	2.5
69.06986	3.6
70.06526	1.5
71.04951	0.7
71.57137	0.9
71.57487	0.6
79.05487	4.6
79.24044	0.6
81.03362	0.9
81.06965	2.5
83.04967	5.9
84.04453	1.1
84.08067	1.0
85.02835	1.5
85.06451	2.2
85.06908	0.6
91.05455	5.7
93.06941	1.9
95.04879	2.2
95.08528	1.5
97.02828	1.1
97.06515	17.6
99.02607	1.1
99.08079	4.3
105.07031	4.3
107.04871	1.2
107.08498	2.5
109.06439	0.9
109.10101	1.2
111.07983	1.9
115.05366	0.8
117.07025	4.3
119.04835	1.0
119.08470	2.8
120.07996	0.7
121.10056	1.0
123.04415	9.3
123.08026	0.7
124.04679	1.3
125.05888	2.8
125.09612	8.3
127.03830	1.0
128.06180	0.8
129.06873	1.8
131.08536	5.9
133.06442	0.8
133.10115	4.9
135.04330	1.5
135.07944	1.2
137.02177	0.6
139.03845	8.1
140.05171	1.0
141.06885	1.5
142.07684	1.1
143.08534	7.6
145.10110	5.4
147.04311	2.3
149.05917	0.8
149.09532	1.3
151.03780	2.0
152.06956	1.8
153.05377	1.0
153.06874	0.8
154.04893	1.3
155.03287	1.0
155.08493	4.8
157.10075	4.6
159.08028	5.9
159.11577	1.2
161.05971	1.2
161.09607	6.6
163.03928	3.2
164.04111	0.7
164.06934	0.9
165.05443	1.5
165.06841	1.3
166.04817	0.7
166.07491	0.8
167.05370	0.8
167.08478	2.2
168.06488	0.9
169.10083	3.9
170.05011	1.2
170.06323	15.5
170.35262	0.6
171.07901	0.9
171.11632	1.3
173.09518	0.8
176.06894	0.7
177.08990	2.5
179.03424	1.0
179.08458	1.5
179.91788	0.7
180.06456	1.8
180.09195	0.7
181.04901	0.7
181.06761	1.5
181.10062	1.8
183.07980	2.2
183.11606	1.7
185.09567	2.0
185.13187	1.6
187.07481	1.0
187.11118	1.2
188.07387	6.3
192.06528	0.8
193.09924	1.2
194.08069	0.8
195.08163	0.7
195.11580	2.8
197.09560	0.9
197.13167	1.7
199.14815	0.8
201.09023	1.3
203.10602	0.8
205.08508	1.0
206.10764	1.0
207.10138	3.3
209.06396	0.8
211.07378	1.0
211.11078	0.7
211.14772	3.2
213.16388	1.2
221.13129	2.4
229.08600	1.7
229.15771	1.1
231.13628	0.9
239.14326	4.1
241.15730	1.2
257.15375	4.7
261.14844	0.8
267.13889	0.9
273.14847	1.9
275.16367	16.8
276.16763	1.5
285.14841	8.9
291.15985	0.9
293.17465	1.0
303.08545	0.9
303.15854	26.8
304.16180	2.0
321.16916	100.0
322.17294	7.4
331.11783	1.8
331.15393	11.5
332.11392	1.8
349.12485	1.0
349.16428	22.9
349.19849	1.0
350.12393	2.4
350.16776	2.3
350.20590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2003
Annotation	Tricalysiolide B
Peak:m/z	Relative Intensity
51.98845	2.1
53.03933	5.6
55.05494	9.5
57.06488	2.2
58.35455	2.1
59.60763	2.6
67.05495	14.1
69.03420	23.0
69.07046	9.4
70.06570	6.8
71.04981	27.6
71.68612	3.9
79.05486	15.6
81.03417	5.9
81.07030	14.8
83.04951	7.8
84.08143	6.0
85.02898	4.3
91.05457	20.4
93.07036	16.5
95.04920	7.6
95.08586	16.4
97.02867	2.7
97.06527	11.5
105.07013	47.0
107.08566	11.5
109.06523	5.0
109.10149	3.7
111.04416	4.0
111.08042	4.1
115.05396	3.9
117.03267	2.3
117.06998	8.8
119.04980	4.0
119.08577	18.5
121.06490	8.3
123.04393	16.0
125.05930	5.1
127.03871	3.3
128.06197	6.5
129.07010	11.5
131.04845	3.0
131.08553	46.2
133.06424	2.8
133.10104	10.0
135.04376	5.0
137.05984	3.8
139.03889	14.9
141.05441	2.9
142.07718	4.1
143.08543	27.7
145.10110	23.6
147.04385	5.2
147.08061	6.4
147.11685	7.5
149.05946	21.9
149.09581	3.3
152.07004	2.8
153.05423	3.9
155.08537	9.7
156.09311	6.6
157.10089	11.2
159.08038	10.4
159.11722	8.7
161.09598	7.0
161.13235	5.4
163.03911	10.7
163.07541	3.1
165.05443	7.4
165.06857	3.4
167.08424	4.1
168.09271	3.2
169.10098	9.5
169.12166	3.3
171.11659	28.7
173.09544	4.9
173.13240	11.0
175.07512	5.7
176.07033	3.5
177.09099	2.6
179.08569	3.2
181.06862	3.0
181.10150	5.7
183.11627	6.1
185.09549	3.9
185.13203	5.8
187.14796	10.8
189.12718	5.6
193.10097	3.1
195.11562	11.4
197.13205	11.6
199.11154	20.6
201.12801	2.6
207.11668	3.0
209.13196	4.1
213.12679	4.8
215.10738	3.9
215.14241	14.3
217.12204	12.8
241.12199	5.0
255.17384	2.6
259.13235	4.4
267.17358	4.6
275.16516	3.7
283.16791	5.2
285.18304	3.4
295.17072	7.1
301.17926	11.2
303.15836	4.7
313.17953	11.4
319.19012	14.6
321.16882	22.7
331.18973	6.7
332.11453	2.8
349.16632	4.7
349.20053	100.0
350.12390	4.6
350.20502	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	349.2003
Annotation	Alboatisin B
Peak:m/z	Relative Intensity
52.80306	2.0
53.03923	4.3
55.05493	9.8
57.03415	3.1
59.04969	2.5
65.03896	2.4
67.05480	12.7
69.03413	25.5
69.07045	4.1
71.04974	29.0
72.15720	2.0
72.82690	2.2
77.67818	2.1
79.05466	9.9
81.03371	3.3
81.07037	13.9
83.04967	3.1
83.08613	2.7
83.94868	1.9
85.02876	4.6
85.06545	3.3
91.05461	19.6
93.07046	12.4
95.04927	5.1
95.08581	12.2
97.06512	5.0
99.04472	3.1
101.20150	2.2
103.05426	2.7
103.19423	2.2
105.07008	48.7
105.08074	2.3
107.04920	2.9
107.08568	12.8
109.06491	2.7
109.10158	4.8
111.08057	2.9
116.06150	2.2
117.06969	10.7
119.08553	17.3
121.06469	9.0
121.10123	3.5
123.04397	5.1
123.08035	2.2
125.05859	2.1
128.06189	4.5
129.06985	12.1
130.07777	3.9
131.08539	52.2
133.06544	2.2
133.10107	8.8
135.04356	4.5
135.07948	3.5
137.05943	3.5
139.03825	10.9
140.04176	2.3
141.06943	3.3
142.07741	6.0
143.08519	28.1
145.10097	25.6
147.08022	7.4
147.11664	5.6
149.05945	20.1
151.03888	2.4
152.05244	5.0
155.08528	9.2
156.09288	8.9
157.06447	3.9
157.10063	11.0
159.08040	5.8
159.11711	4.1
161.09586	5.0
163.03871	7.8
165.05495	4.8
165.06908	2.3
167.08556	2.9
169.10085	6.0
171.07988	3.0
171.11652	31.5
173.09581	4.9
173.13260	11.5
175.07494	8.8
175.11176	2.5
180.06493	2.9
181.06883	3.3
181.10100	5.6
182.10701	2.8
183.11647	4.9
185.09526	2.8
185.13242	6.0
187.14738	13.9
188.07338	2.7
189.09070	3.6
189.12677	5.2
193.10101	3.2
195.11638	6.6
197.13235	10.0
198.13776	2.4
199.11134	18.9
200.11832	2.5
213.12720	6.1
215.14268	12.6
217.12137	10.7
225.12741	3.0
231.13704	3.6
235.13397	2.4
239.18004	2.7
241.12257	6.3
249.16286	3.6
259.13303	4.4
266.09412	2.4
283.16934	4.6
295.16898	6.4
301.17969	8.9
303.16071	4.0
313.17950	10.8
319.18839	13.0
321.16986	6.6
331.18936	7.7
332.11420	2.8
349.20026	100.0
350.12250	3.4
350.16397	2.9
350.20303	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54268	2.5
53.03941	3.5
55.01850	13.7
55.05496	30.5
56.96540	5.1
57.03161	3.0
57.03426	44.8
58.70951	2.3
62.22995	2.6
63.95071	2.7
67.05493	60.3
69.03410	5.4
69.07062	22.9
70.87666	5.9
70.88028	4.4
71.04962	6.6
73.02873	3.5
76.35716	2.8
79.05482	76.3
81.03391	3.7
81.07041	66.2
83.04970	8.6
83.08609	13.9
85.02878	4.4
85.06525	9.6
91.05462	87.4
92.05769	4.5
93.06425	3.7
93.07023	66.4
94.07369	3.4
95.04951	10.6
95.08591	47.8
97.06509	12.0
97.10156	5.0
98.21485	2.6
99.08089	4.9
103.05527	3.9
105.07010	100.0
107.04944	11.0
107.07929	2.0
107.08577	55.6
109.06524	15.2
109.10113	14.5
111.08045	4.2
115.05414	3.9
117.06990	36.3
119.07732	5.5
119.08563	83.6
121.06473	4.5
121.08225	2.5
121.10128	22.1
123.08025	9.2
125.09589	5.1
128.06180	6.3
129.07005	15.0
131.08554	45.5
132.10199	6.0
133.10110	43.5
135.08031	7.0
135.11700	13.3
137.09566	5.2
141.07016	3.9
142.07727	2.8
143.08533	19.1
144.09311	3.1
145.10104	85.6
147.08057	4.9
147.11668	46.2
149.09569	14.4
149.13264	3.3
151.11201	4.6
155.08514	5.3
157.10094	26.6
158.10541	3.2
159.11674	61.8
161.09650	8.5
161.13234	23.1
163.11156	11.2
165.12706	3.7
169.10110	10.9
171.11610	17.2
173.13232	26.2
175.11287	4.4
175.14856	7.9
177.12764	6.4
183.11653	12.6
185.13225	27.4
187.14792	5.1
191.14227	3.7
197.13258	8.5
199.14854	3.3
201.12738	4.5
201.16455	3.9
203.06038	3.2
203.14326	14.9
211.14925	6.2
215.17987	3.8
219.17403	20.0
229.19473	11.2
238.77606	3.0
239.17900	30.6
241.08556	2.8
247.20578	3.3
257.18958	60.7
258.19205	3.3
258.24048	5.1
260.40082	2.6
262.76453	2.7
267.09021	5.8
269.10675	3.5
275.20047	48.5
276.14423	2.9
276.20508	3.3
277.17889	4.1
285.10138	10.1
287.11469	5.0
331.22659	7.6
349.23721	97.9
349.27664	6.3
350.24118	11.8
350.28979	15.8
355.45944	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59310	1.0
53.03935	2.7
55.01857	7.2
55.05502	16.4
55.81835	1.0
56.96544	2.8
57.03427	15.7
57.07056	2.9
63.43687	1.1
63.68107	1.2
65.03916	2.0
67.05495	33.6
69.03416	2.3
69.06698	1.1
69.07056	22.4
71.04973	2.9
79.05481	32.7
81.03389	2.0
81.07042	37.4
83.04980	8.2
83.08595	7.2
85.06522	1.8
85.43178	1.0
91.05466	29.5
93.07029	37.7
94.07348	1.4
95.04952	12.6
95.08592	25.6
97.06522	5.0
97.10150	3.3
105.07011	33.7
107.04928	11.1
107.07907	2.0
107.08576	22.0
109.06495	13.4
109.10143	11.6
111.08057	2.3
117.07005	11.4
119.08563	18.8
121.06490	13.5
121.10117	12.2
123.08054	7.3
123.11698	2.4
125.09557	1.3
129.06999	3.0
131.08553	17.5
133.06468	3.1
133.10109	23.4
135.08026	6.9
135.11650	7.7
137.05934	1.4
137.09579	2.2
141.07040	1.9
143.08548	3.3
145.06415	1.6
145.10103	15.9
147.08025	3.6
147.11650	14.7
149.09615	8.9
149.13225	3.7
151.11124	6.5
155.08546	1.4
157.10086	4.4
159.08113	2.4
159.11702	9.3
161.09570	3.9
161.13235	4.4
163.11148	7.4
165.12717	1.1
169.10033	2.6
171.11716	4.3
173.09586	4.7
173.13223	7.2
175.11168	4.6
177.12735	3.0
179.14232	4.4
183.11671	3.1
187.11150	2.3
187.14749	2.2
189.12688	1.9
191.14304	3.6
197.13237	2.6
199.14931	1.1
201.12775	3.0
205.19247	1.3
207.13782	3.3
215.17876	2.6
219.13734	3.8
229.19489	4.2
231.17438	1.5
233.18939	1.5
239.17894	4.8
247.20569	4.2
255.67920	1.3
257.18979	17.7
267.09131	1.2
275.20023	100.0
276.20297	3.2
293.21045	7.1
338.92441	1.2
349.23694	30.9
349.27426	2.7
350.23987	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
55.01860	7.7
55.05501	19.7
57.03425	26.2
57.07048	2.4
60.04515	1.7
65.03918	1.7
67.05141	2.3
67.05493	44.1
69.03410	3.3
69.07051	21.9
69.73209	10.8
71.04979	2.7
75.04461	2.7
77.82353	1.3
79.05478	45.5
81.03389	3.9
81.07040	51.8
83.04961	5.6
83.08600	11.3
85.02903	1.4
85.06543	3.3
88.95850	1.3
91.05461	62.0
92.05740	1.7
93.07023	46.2
95.04947	12.6
95.08587	39.5
97.02868	1.5
97.06512	10.4
97.10139	3.3
99.08039	2.7
99.35226	1.3
103.05424	2.3
105.07007	73.2
106.07339	2.3
107.04919	10.5
107.08573	29.1
109.06524	9.6
109.10146	13.5
111.08058	3.5
115.05445	4.4
117.06993	39.2
119.08554	54.8
119.09400	3.1
120.08868	1.7
121.06479	6.1
121.10146	17.5
123.08045	5.8
123.11642	3.5
125.09611	3.4
128.06215	2.2
129.05467	1.6
129.06975	13.6
130.07767	4.3
131.08530	44.2
132.08876	2.4
133.06451	2.9
133.10103	32.9
135.08008	3.8
135.11658	9.8
137.09531	2.7
141.06927	4.5
143.08543	15.2
145.06458	2.0
145.10091	63.9
146.10405	4.2
147.08000	3.2
147.11650	33.2
149.09583	12.7
149.13245	5.0
151.07504	2.8
151.11139	4.5
154.07706	2.0
155.08525	5.4
157.10104	24.4
158.10556	1.5
159.08029	3.5
159.11664	59.1
160.12071	3.0
161.09564	6.0
161.13225	18.1
163.11130	6.6
163.14766	2.7
165.08968	1.7
169.10088	10.2
171.11661	10.4
173.09581	3.5
173.13216	20.7
175.11165	5.3
175.14772	4.9
177.12698	3.9
178.35989	1.3
179.14313	1.7
183.11659	11.1
184.11934	1.8
185.13240	12.8
187.11119	2.8
187.14810	2.5
191.14319	3.4
197.13225	11.7
201.12726	3.1
201.16417	4.8
203.14278	3.9
205.15950	1.6
210.13974	1.5
211.14815	3.1
213.16362	2.7
215.14095	1.6
215.17912	4.1
219.13809	3.4
219.17378	8.6
229.19496	9.3
230.19774	1.9
233.19170	1.6
239.17935	25.3
247.20488	3.2
257.18951	55.7
258.19449	2.8
275.20004	59.0
275.23029	2.9
276.20288	4.0
277.08609	3.0
278.09335	2.4
285.09842	2.7
293.21008	2.8
321.14642	2.2
331.22733	4.5
349.14453	17.0
349.23669	100.0
350.23914	6.6
350.28046	1.5
374.39450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61227	2.9
55.01850	13.9
55.05503	36.3
56.55770	3.5
56.96540	6.9
57.03429	19.8
60.04506	10.2
65.03919	3.5
67.05494	77.6
69.03405	7.5
69.07051	36.6
69.41821	33.6
70.06586	3.3
71.04989	6.9
79.05482	75.9
81.03410	7.7
81.07041	100.0
83.04978	5.2
83.08588	15.5
85.06519	5.1
91.05464	62.1
93.07034	69.8
93.47679	3.2
95.04955	16.4
95.08589	51.3
97.02912	3.3
97.06499	11.9
97.10149	7.8
105.07006	75.6
107.04933	11.1
107.08581	46.1
109.06509	15.3
109.10150	26.4
111.08106	4.9
114.66167	3.5
117.07018	30.1
119.08559	59.3
121.06502	4.7
121.10141	27.5
123.08033	13.3
123.11680	5.5
125.09632	5.2
128.06247	5.3
129.06979	8.2
130.07790	3.6
131.08560	37.3
132.06522	8.0
133.06647	2.8
133.10098	42.5
135.08073	7.5
135.11682	18.4
137.09589	5.2
141.59676	3.5
143.08522	11.1
145.06540	3.6
145.10089	53.3
147.11641	27.1
149.09593	14.8
149.13251	9.0
151.11156	3.4
155.08542	5.9
157.10101	12.2
159.11670	31.8
161.13245	16.7
163.11148	8.4
169.10063	4.9
171.11661	15.1
173.13205	15.8
177.12651	3.6
178.53676	3.2
179.14278	4.0
183.11670	7.6
185.13261	3.7
187.11060	3.6
188.77914	3.0
195.11835	3.0
197.13232	6.1
215.17926	4.2
229.19449	7.5
239.17870	14.4
247.20491	8.0
257.18970	35.7
275.20010	44.2
313.25671	3.9
331.26651	9.2
349.19934	7.1
349.23700	95.5
349.27731	18.1
350.23923	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.1
53.03941	15.1
53.50341	2.5
55.01863	14.3
55.05503	35.4
57.03427	24.0
57.07057	2.8
67.05495	75.1
69.03397	4.2
69.07056	62.3
70.63767	5.9
70.64104	3.2
71.04973	4.3
73.89068	2.6
79.05480	63.9
81.03405	26.5
81.07042	100.0
83.04962	10.6
83.08619	15.5
85.06528	3.3
91.05463	81.1
93.07026	71.7
94.07371	3.2
95.01286	17.6
95.04948	22.8
95.07642	2.4
95.08590	57.6
95.77496	2.4
97.06517	22.3
97.10136	8.9
99.08074	2.5
102.30156	2.6
105.07013	95.5
107.04936	33.8
107.08585	36.4
109.06499	10.2
109.10134	18.0
111.04385	2.5
111.08060	7.0
115.05434	2.9
117.07014	24.5
119.08559	52.9
121.06469	10.2
121.10146	16.0
123.08044	10.3
123.11688	4.2
125.09637	4.5
127.53645	2.6
129.07010	3.2
131.08559	35.7
133.10107	60.2
135.08032	8.1
135.11696	14.7
137.09598	4.1
141.06918	3.9
143.08565	7.8
145.06468	4.6
145.10080	24.4
147.07982	3.2
147.11655	34.9
149.09616	11.3
149.13264	6.4
155.08568	2.7
157.10155	5.4
159.11632	22.2
161.13248	7.8
163.11162	8.3
169.10124	5.0
171.11710	8.4
173.13306	5.9
177.12701	8.5
179.14276	19.4
183.11668	5.5
185.13390	2.5
187.11163	6.3
197.13193	4.7
218.22832	3.1
247.20488	4.4
257.18863	12.1
275.20010	73.7
275.23026	3.8
276.20181	4.4
346.61478	2.9
349.23709	43.7
349.27869	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.3
53.03939	25.1
55.01859	20.2
55.05504	39.7
55.76133	2.0
56.96543	2.4
57.03429	25.3
57.07090	2.5
63.00126	2.4
65.03928	5.1
66.48488	2.1
67.05494	98.9
69.03422	4.3
69.07060	71.6
70.64172	7.5
70.66087	2.0
71.04980	4.7
79.05024	5.2
79.05481	92.9
81.03409	32.3
81.07047	100.0
83.04961	16.5
83.08607	14.9
85.06541	2.8
91.05467	96.3
93.07034	79.9
95.01317	21.8
95.04947	24.0
95.08591	64.7
97.02848	2.6
97.06516	34.6
97.10159	6.4
103.05444	2.7
105.04572	2.5
105.07015	100.0
107.04943	45.5
107.08575	46.8
109.06504	11.0
109.10149	17.5
111.04408	3.4
111.08075	4.9
115.05462	4.3
117.07013	30.7
119.08566	64.9
121.06514	8.4
121.10120	16.0
123.04429	4.5
123.08067	9.5
123.11726	5.0
125.09628	4.6
129.07011	6.5
131.08560	37.9
132.08987	2.1
133.06551	2.8
133.10112	70.5
134.10449	3.2
135.08044	9.5
135.11665	17.6
137.09602	6.2
141.06960	4.6
143.08574	8.6
145.06488	9.8
145.10121	27.4
147.11659	30.2
149.09584	19.2
149.13280	8.3
151.11208	3.1
157.10092	5.6
159.08058	3.1
159.11682	27.8
161.13205	11.6
163.11194	8.7
163.14757	2.5
165.09129	4.6
169.10112	3.6
171.11726	6.7
173.13237	9.2
175.14732	2.8
177.12718	12.1
179.14301	26.6
183.11720	7.3
187.11180	7.4
187.14941	2.7
195.13792	3.3
197.13239	4.4
201.12810	2.3
224.30618	2.2
229.19536	5.0
239.18097	3.5
247.20667	3.8
257.18979	12.0
275.20023	80.7
293.21060	3.3
349.23657	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	18.5
55.01872	16.8
55.05496	29.7
57.03426	25.3
60.42788	2.5
65.03931	6.0
67.05492	81.5
69.03421	4.4
69.07059	77.9
69.69805	4.5
69.70211	17.4
79.05481	60.9
81.03008	3.1
81.03405	32.5
81.07042	99.6
83.04955	13.3
83.08585	13.0
85.02911	3.2
85.06525	3.3
91.04926	6.1
91.05466	80.2
93.07030	64.3
95.01315	28.4
95.04964	24.9
95.08584	62.7
97.06511	24.6
97.10136	6.5
98.21519	5.2
99.08060	3.9
105.07005	100.0
107.04930	42.5
107.08564	34.2
109.06487	12.3
109.10146	12.7
111.08058	6.8
112.90421	3.0
113.09605	3.5
117.06972	23.3
119.08557	54.5
121.06477	8.7
121.10094	13.3
123.04396	6.9
123.08074	17.3
123.11564	3.5
129.06979	10.1
131.08551	43.9
133.03505	2.7
133.10107	62.1
135.08046	8.4
135.11714	16.3
136.22655	2.5
137.09558	4.0
143.08583	3.2
145.06468	10.5
145.10080	28.7
147.11665	22.8
149.09563	10.9
149.13223	8.5
157.10046	4.7
159.08035	3.3
159.11659	26.9
161.09599	3.2
161.13228	9.4
163.11133	9.0
165.09070	3.2
169.10107	4.8
171.11742	6.3
173.13243	6.0
175.57863	2.8
177.12714	11.8
179.14287	28.7
183.11658	6.6
187.11134	12.2
195.13704	4.0
205.12300	3.9
228.06981	3.2
239.17940	4.0
241.14197	2.7
249.92880	3.2
257.18887	11.9
275.20035	66.7
276.20468	6.9
301.19992	4.0
349.23727	43.5
349.33582	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	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.9
55.01865	5.6
55.05503	13.6
57.03165	1.1
57.03428	18.2
57.07071	3.2
57.55713	0.6
60.04505	2.1
65.03913	2.2
67.05494	31.6
69.03400	2.6
69.07056	20.3
70.02937	0.7
70.91637	1.1
70.91975	1.2
71.04965	2.3
71.08603	0.9
79.05479	25.2
81.03391	1.6
81.07042	39.7
83.04503	0.9
83.04965	8.9
83.08609	5.8
85.06492	1.2
91.05467	26.4
93.07029	35.8
95.04955	10.8
95.08590	23.4
96.08938	0.6
97.06530	4.9
97.07059	1.0
97.10131	2.4
103.05460	1.2
105.07013	29.6
106.07341	0.7
107.04934	11.6
107.08580	20.8
109.06497	12.9
109.10141	10.2
111.08056	2.7
115.05403	0.9
116.98631	0.7
117.06997	10.0
119.08557	18.2
121.06495	15.2
121.10121	11.8
123.08053	6.1
123.11679	2.9
125.09622	1.0
129.06995	2.5
130.07805	0.8
131.08548	18.9
132.06532	1.2
133.06406	4.0
133.10106	20.0
135.08020	5.3
135.11671	7.0
137.09583	2.6
139.07475	0.6
141.06960	1.4
143.08539	3.7
145.06430	2.9
145.10091	17.4
146.10515	0.7
147.08034	4.8
147.11659	12.9
149.09599	7.4
149.13239	3.5
151.11160	6.7
155.08498	1.8
157.10088	3.9
159.08034	2.7
159.11673	9.3
161.09601	5.3
161.13246	3.7
163.11145	6.5
163.14792	1.1
165.12849	1.5
169.10085	1.6
171.11684	3.1
173.09618	3.1
173.13219	5.8
175.11169	3.3
175.14714	1.2
177.12692	2.9
179.14339	0.7
183.11681	3.7
185.13181	1.7
187.11125	2.5
187.14751	1.9
189.12718	2.0
191.14288	3.9
197.13205	2.4
199.14781	0.9
201.12761	4.1
201.16364	1.1
205.19508	0.8
207.13770	4.5
208.28053	0.7
211.14705	1.1
213.16406	1.1
215.14252	1.9
215.17940	1.6
219.13826	3.5
229.19464	2.9
231.17374	1.4
233.15332	1.3
233.18884	0.8
237.14685	0.8
239.17926	4.1
247.20576	4.9
257.18964	15.6
258.19354	1.0
275.20016	100.0
276.20374	7.2
279.51575	0.6
293.21057	7.0
331.22705	1.0
331.26361	1.3
349.23645	25.6
349.27762	7.9
350.24020	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	349.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73617	2.8
53.03934	5.8
55.01862	15.8
55.05503	43.1
57.03427	19.2
57.07040	4.0
59.04963	2.9
67.05493	74.6
69.03409	3.7
69.07056	51.5
70.06570	4.3
71.04980	7.9
71.69492	2.4
71.69975	4.3
78.66317	2.6
79.05479	83.7
81.03380	7.1
81.07043	100.0
83.04967	11.1
83.08612	20.3
85.02878	3.1
85.06530	6.9
91.05464	78.8
93.07030	65.3
94.07339	3.0
95.04932	12.7
95.08595	49.5
97.06527	27.5
97.10150	11.1
99.08057	4.1
105.07013	94.5
107.04941	23.9
107.08575	75.0
109.06499	19.5
109.10133	25.1
111.08067	6.8
117.07013	29.3
119.08566	66.4
121.06483	7.1
121.10140	28.6
123.08050	7.7
123.11716	5.6
125.09598	11.3
129.06975	13.2
131.08536	46.1
133.10127	51.3
134.57272	2.7
135.08066	13.4
135.11662	22.7
137.09602	4.8
137.13219	3.3
143.08551	10.0
145.10100	65.4
147.11673	37.2
149.09575	29.2
149.13199	7.0
151.11186	4.3
155.08528	3.7
157.10101	10.9
159.11662	34.0
161.09615	5.4
161.13162	15.4
162.27130	3.0
163.11185	18.6
169.10077	6.7
171.11717	15.1
173.13223	14.7
173.74550	3.2
175.11192	3.1
175.14819	4.8
177.12762	7.3
178.15944	3.6
179.14279	6.3
183.11688	9.2
185.13216	6.0
187.11087	6.8
187.14822	3.5
189.11195	6.5
189.12741	3.9
197.13306	7.2
199.14751	3.8
201.12801	3.8
211.14818	3.5
223.71011	3.4
229.19473	6.9
236.16432	3.8
237.86649	2.7
239.17889	14.9
247.20639	7.6
257.18951	42.1
275.17419	3.1
275.20004	84.2
275.22968	4.5
276.20285	2.9
306.23984	3.8
331.22684	5.0
349.19968	7.2
349.23688	97.6
349.27795	4.2
350.23849	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18211	2.8
53.03940	16.5
55.01868	20.2
55.05273	4.0
55.05499	44.3
57.03423	23.3
63.03399	3.2
65.03911	3.6
67.05496	90.0
69.03409	5.6
69.07059	63.4
71.05005	3.4
71.42520	5.0
79.05482	85.5
81.03401	28.7
81.06557	4.9
81.07042	100.0
83.04972	24.9
83.08611	20.1
85.06524	4.9
91.05460	82.7
93.07024	77.9
95.01302	16.0
95.04956	21.3
95.08595	53.3
96.04462	3.0
97.06521	34.4
97.10149	9.8
98.04148	2.8
99.08051	3.6
101.91883	3.0
103.51713	2.8
105.06336	5.5
105.07006	91.2
106.07323	3.6
107.04933	48.7
107.08572	62.9
109.06458	10.3
109.10130	25.7
111.08061	7.3
115.05431	2.9
117.07005	25.8
119.08553	56.2
121.06470	5.3
121.10123	28.0
123.08034	12.5
123.11764	5.1
125.09600	13.6
129.07005	3.6
131.08546	36.7
133.06438	5.7
133.10101	57.0
134.10472	4.9
135.07993	8.4
135.11676	19.0
137.09575	4.9
143.08551	7.3
145.06491	6.9
145.10104	32.0
147.11633	21.4
149.09595	32.7
149.13226	11.6
150.09814	2.9
151.11198	3.4
155.08551	4.0
157.10112	10.3
159.11668	22.7
161.13246	12.7
163.11139	10.3
163.14699	4.3
169.10107	5.5
169.12167	2.9
171.11742	5.5
173.13171	8.3
175.11292	3.8
177.12711	8.8
177.62500	3.5
179.14268	26.1
183.11678	4.8
184.22157	3.2
187.11278	7.6
189.11124	5.0
192.39415	3.1
197.13210	3.9
229.19482	4.2
247.20490	3.8
249.08374	3.1
257.18973	14.4
275.19992	74.6
276.20520	5.6
284.89594	3.3
291.19458	4.4
349.13132	4.4
349.23697	45.5
349.27448	6.1
350.23431	9.0
369.84396	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	351.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	18.8
70.64616	7.0
85.02883	2.7
94.06551	6.3
95.06884	3.4
98.97571	35.8
103.00614	3.1
110.97540	8.2
112.33914	2.4
112.99104	16.4
115.02438	3.7
115.56581	2.6
116.98603	19.2
119.01881	3.4
121.01645	4.7
128.98573	7.3
131.00160	31.3
131.01881	6.2
133.01651	6.3
133.03473	7.5
134.99605	4.8
143.00134	6.3
145.03491	3.8
146.99626	5.9
147.02295	3.1
147.04997	8.0
149.01164	15.1
158.99648	6.2
159.05072	3.2
161.01201	10.7
165.06142	3.9
170.99602	8.3
171.05025	5.3
173.01277	3.7
173.02893	4.9
174.02997	3.9
175.02716	4.5
177.00735	7.5
177.05960	2.7
185.06647	2.7
187.54305	2.6
189.00632	5.0
189.06056	10.0
191.02209	4.0
193.03838	7.8
193.78821	3.0
198.03891	7.4
201.00713	8.0
201.06056	11.9
207.01646	5.0
210.03925	6.0
211.04745	3.8
214.66051	2.4
217.00160	7.0
219.01724	12.4
219.04341	4.6
219.07201	3.3
221.05003	4.9
231.01694	5.2
235.04892	16.3
237.02647	2.6
243.01624	7.2
245.08694	4.9
249.02806	17.7
250.43954	2.7
253.05637	3.4
261.02689	12.7
279.03836	5.3
291.03912	4.6
291.09198	32.4
309.04874	4.3
309.10367	3.8
351.06796	100.0
351.10965	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	351.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86368	0.7
52.85727	0.8
53.33278	0.8
56.96268	1.4
56.96552	20.6
57.37416	0.8
61.86890	0.9
69.03416	0.9
70.10398	3.7
71.95249	1.7
74.67695	1.2
84.96014	3.8
85.02883	1.2
86.09597	1.1
97.02851	1.3
98.97565	100.0
108.18638	0.9
110.97536	7.5
112.99088	2.2
116.98601	50.7
119.65574	0.8
128.98570	7.5
131.00119	2.4
134.98708	1.4
134.99640	16.4
135.04359	1.9
139.03902	1.1
140.00177	2.2
140.98587	1.0
143.00140	3.3
144.98032	1.9
145.01765	1.6
146.99643	6.6
147.03241	2.8
149.01175	2.1
149.02299	1.7
152.98488	1.6
153.00655	1.2
158.01248	1.0
158.99632	30.6
161.01184	4.9
162.99138	1.3
163.02759	1.4
163.03900	6.5
165.04333	3.6
170.99603	3.6
171.03305	2.2
175.02754	1.2
177.00676	35.8
189.00703	2.4
189.04312	10.5
189.75444	0.8
193.03781	2.2
195.01729	2.4
200.02309	1.6
201.00696	2.0
207.05363	3.8
219.01740	12.8
219.05247	1.3
231.05452	2.9
237.00681	1.6
237.02765	24.4
249.06372	1.3
255.04012	1.5
291.04099	1.3
291.07410	22.3
309.08508	68.6
310.08829	1.2
332.10138	4.0
333.10391	1.3
351.09555	23.8
352.09760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	18.9
67.84122	1.4
69.03420	2.7
69.34822	18.6
83.44697	1.6
84.96015	3.5
85.02903	4.8
89.03873	1.7
97.02872	2.0
98.97564	19.6
101.00868	7.1
103.00638	3.3
109.77221	1.6
110.97554	5.1
112.99115	27.1
115.02394	17.6
116.98602	15.1
117.03335	2.5
119.01901	21.3
121.01636	8.5
124.99068	2.7
127.02396	2.4
128.98602	6.6
129.03981	6.3
131.00153	41.7
131.01811	2.2
133.00732	2.4
133.01663	8.1
133.03448	100.0
134.03587	3.5
134.99606	7.0
135.04387	3.7
141.03987	4.8
143.00185	12.1
143.01901	6.0
145.01744	2.4
145.03458	20.9
146.98529	2.0
146.99640	6.1
147.05045	11.5
149.01196	31.1
151.04506	18.1
153.03937	2.2
155.01918	1.9
156.04977	4.1
157.03485	4.9
158.99626	3.2
159.05017	61.0
160.05185	3.4
161.01228	12.3
161.02930	6.9
161.06573	3.1
163.02684	3.2
163.03937	15.3
165.00682	2.2
167.02271	3.2
169.03456	5.3
170.80402	1.7
170.99632	5.6
171.01227	1.9
171.04950	9.0
173.01382	1.9
173.02921	4.1
173.06551	8.5
174.99144	1.9
175.02780	6.9
175.04507	4.3
177.00760	6.1
177.06052	30.8
178.06055	1.8
181.03259	1.6
185.01167	3.6
185.06566	8.6
187.04562	8.7
187.08179	5.8
189.00787	8.9
189.02353	2.8
189.06061	10.9
191.02258	3.1
191.03972	3.4
193.03802	13.4
195.07092	21.4
197.02939	4.6
197.06548	11.1
199.08112	6.1
201.00638	8.4
201.06053	4.4
201.09714	3.0
203.02213	4.2
203.07664	6.0
205.05563	5.7
207.01663	4.5
207.05151	2.1
211.04803	8.7
213.06017	2.1
213.09723	6.1
215.03928	1.9
215.07753	2.3
217.00107	8.4
217.09253	3.3
218.06345	3.9
219.01683	8.9
219.07109	26.2
221.03145	3.8
231.01685	4.9
231.03458	5.7
235.04645	20.6
235.06935	12.9
237.02765	5.3
243.01563	3.1
245.08685	74.1
246.09032	7.8
247.06602	56.6
248.06830	4.5
249.02721	21.5
249.37910	1.7
251.04347	2.9
253.05940	7.4
261.02731	8.1
261.11798	15.3
262.11871	2.3
267.03815	8.2
271.06659	6.5
273.02747	3.3
273.08109	19.0
275.09705	34.6
276.07303	1.8
276.09970	2.4
279.03937	2.8
285.05182	2.6
285.08115	3.8
287.09839	4.0
289.07840	4.7
289.11273	25.1
290.11475	2.7
291.03864	15.5
291.09070	10.0
297.08316	2.5
309.04791	5.1
315.05603	4.5
315.09229	19.3
316.09265	2.8
333.06674	4.4
333.10239	88.8
334.10498	7.0
351.06882	17.7
351.11359	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2163
Annotation	CHEBI:67350
Peak:m/z	Relative Intensity
50.83217	5.6
53.03928	9.7
55.01849	10.4
55.05503	23.5
57.03425	4.9
59.04977	4.5
65.03925	7.1
67.05491	68.9
68.99778	10.0
69.03416	44.6
69.07071	27.6
69.55526	39.6
71.04977	19.8
72.49538	3.8
79.05474	38.5
81.03398	5.8
81.07040	100.0
83.04958	24.2
83.08609	9.0
85.02888	17.7
85.06524	6.0
89.92432	3.5
90.15678	3.9
91.05472	43.5
93.07033	85.6
95.04948	39.3
95.08595	78.9
97.06502	19.8
97.10154	5.4
99.04432	9.9
99.08090	6.3
105.07015	82.8
106.06538	5.1
107.04935	8.0
107.08576	86.6
109.06493	39.2
109.10146	94.8
111.04442	4.5
111.08047	14.4
113.06034	5.3
116.06302	4.6
117.07001	19.0
119.04897	6.0
119.08568	62.8
121.06477	18.9
121.10116	39.6
122.48298	4.6
123.04432	7.2
123.08055	42.0
123.11668	20.8
124.86982	4.3
125.05949	8.3
125.09605	13.0
128.06236	4.3
128.63080	3.7
129.07018	9.1
131.08556	38.5
133.10103	50.4
134.54240	4.5
135.08029	67.0
135.11650	8.9
137.05994	10.4
137.09592	77.7
139.03876	34.3
139.07538	5.8
139.11139	12.4
141.06998	6.1
141.09071	16.9
142.07741	8.0
143.08545	14.5
144.09254	5.8
145.06456	5.4
145.10098	39.2
147.08031	23.7
147.10596	4.8
147.11606	19.5
149.09587	44.2
151.07553	7.9
151.11121	25.1
153.09088	12.8
154.07721	5.0
155.08514	13.4
155.10646	8.6
156.09319	5.9
157.08688	4.0
157.10091	19.4
157.12189	4.2
159.08060	19.5
159.11632	27.6
161.05959	5.9
161.09564	49.1
161.13190	11.1
163.03902	6.4
163.07509	15.4
163.11143	12.5
165.09056	32.4
167.10667	12.6
169.10074	12.7
171.11646	14.1
173.05888	5.2
173.09584	19.9
173.13235	17.3
175.07521	9.7
175.11156	29.4
175.14803	6.5
177.05487	4.7
177.09065	24.0
177.12653	4.7
179.08572	9.2
179.10692	16.8
180.35927	4.5
183.10187	21.4
183.11537	5.3
185.09605	4.5
187.11165	11.3
187.14835	11.8
189.09041	8.2
189.12686	9.5
191.10579	9.0
193.12184	6.1
195.10115	5.9
195.11665	7.0
197.09579	11.8
197.11514	4.0
197.13280	9.1
201.09012	21.1
201.12672	13.0
201.16364	7.2
203.14302	5.1
205.12187	7.0
210.06662	9.2
211.14761	10.0
213.12723	13.9
213.16331	13.0
215.14275	11.6
219.13773	9.0
225.09018	33.4
226.09415	4.2
227.14160	8.4
229.15866	25.2
231.13811	5.8
231.17476	6.9
233.15384	9.2
239.14343	8.9
245.15419	5.9
246.07288	4.8
247.16902	9.7
255.11157	4.2
255.17380	5.4
257.15344	13.3
267.09915	5.4
269.18918	11.2
273.08932	5.0
275.16345	31.2
276.07690	8.7
285.18323	9.0
287.19998	13.6
291.19574	4.5
297.18497	19.2
301.11819	5.2
303.19455	10.4
305.07886	8.9
305.21048	13.2
315.19547	41.3
319.09531	15.5
321.07596	9.5
321.20862	5.0
322.08328	25.0
333.11041	6.9
333.20523	65.1
333.24036	5.7
334.20663	10.3
351.12155	70.8
351.21518	38.0
352.12527	12.5
352.21899	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	351.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.2
55.01862	1.7
55.05503	16.5
55.12424	1.2
57.02545	1.0
57.03423	9.1
57.07051	4.3
65.03910	2.9
67.05137	2.4
67.05492	49.2
69.07058	19.6
69.48553	3.1
69.48963	7.4
71.04977	4.5
75.04456	2.2
76.62405	1.2
79.05480	69.5
80.05785	1.2
81.07043	58.3
83.04969	2.1
83.08609	9.0
85.06530	3.9
91.05462	57.7
93.07027	100.0
94.07346	2.7
95.04957	6.0
95.08585	40.1
97.06515	4.1
97.10143	3.5
98.21442	2.4
99.08070	3.7
99.56419	1.1
105.07011	60.3
107.08572	53.5
109.06486	2.3
109.10134	16.3
111.08081	2.1
113.09621	1.1
117.06996	14.5
119.08556	58.0
120.08872	1.2
121.06503	1.4
121.09250	2.6
121.10122	47.8
123.08049	1.9
123.11715	3.9
125.09628	1.9
129.06989	8.6
131.08543	22.8
133.10106	50.0
135.08023	1.6
135.11670	42.2
137.09584	1.6
137.13170	1.6
141.65923	1.1
143.08551	10.8
145.10086	23.1
147.11664	45.3
149.09572	2.0
149.13239	28.9
151.11218	1.3
155.08525	1.1
157.10123	11.4
159.11667	21.2
161.09645	2.1
161.13237	38.8
163.11172	4.6
163.14807	9.2
165.12675	1.7
167.10725	1.7
171.11667	14.3
172.12030	1.2
173.13208	11.5
175.11143	3.5
175.14793	20.3
176.15108	1.3
177.12755	4.9
177.16316	1.6
185.13216	13.1
187.14833	4.9
189.12738	3.4
189.16383	2.1
191.14336	1.6
195.13817	1.2
197.13206	1.4
199.14784	10.4
201.16435	1.8
203.14316	2.3
213.16368	5.3
215.17944	1.4
217.15933	2.1
217.19498	4.6
221.15263	1.9
231.17427	2.7
231.21008	10.1
241.19469	35.5
259.20541	91.3
260.20871	3.2
277.21585	12.3
293.37564	1.3
333.24158	8.8
351.25275	62.7
352.25595	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
55.05497	16.9
57.03428	5.4
57.07057	4.3
61.24076	1.1
65.03933	2.4
67.05492	47.5
68.05807	1.2
69.07053	15.3
70.04859	6.6
71.04967	2.6
71.08615	2.0
75.04460	3.3
77.03919	1.2
79.05477	58.4
80.05811	1.1
81.07042	51.1
83.04967	2.5
83.08620	5.4
85.06532	3.9
85.13001	1.1
90.93861	1.2
91.05463	66.7
93.07027	80.2
94.07371	2.0
95.04964	6.2
95.08585	35.2
97.06509	2.9
97.10171	2.0
99.08085	5.3
105.04478	1.1
105.07011	65.5
106.07288	1.1
107.08569	44.3
108.20988	1.0
109.06485	2.1
109.10129	11.0
111.08057	1.9
113.09658	2.0
115.05465	1.4
117.06989	18.2
119.08560	61.3
120.08916	2.4
121.06461	1.3
121.10117	31.9
122.10453	1.0
123.08044	1.6
123.11678	2.8
128.06175	1.6
129.06984	11.0
130.07787	1.5
131.08545	26.3
133.10106	51.6
134.10466	1.7
135.08023	1.5
135.11673	31.6
137.09564	2.4
142.07706	1.5
143.08525	11.1
144.55069	1.0
145.10097	25.2
147.11659	52.0
148.11818	1.3
149.09602	2.7
149.13223	21.5
156.09364	1.2
157.10112	10.2
159.11664	21.4
161.09598	1.6
161.13232	42.7
162.13545	1.9
163.11157	3.7
163.14757	7.1
171.11658	16.1
173.13240	13.2
175.11206	3.0
175.14780	18.8
175.16185	1.6
177.12762	3.4
178.83943	1.1
185.13208	15.3
187.14816	3.3
189.12692	4.1
189.16295	2.2
199.14766	7.3
203.14317	2.9
213.16318	4.0
215.17906	1.7
217.19499	1.9
231.17412	3.6
231.20972	9.3
241.19464	34.7
242.19832	2.6
259.20529	100.0
260.20840	5.8
277.21628	5.0
333.24170	3.3
347.69141	1.1
351.25229	53.9
352.25562	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
53.54832	4.0
55.05505	34.3
57.03188	6.0
57.03426	51.0
57.07078	5.1
59.88006	3.8
67.05496	85.6
68.48800	4.4
69.07064	29.8
71.04984	8.8
71.08621	19.1
71.67631	6.1
71.68024	8.2
72.05898	4.1
79.05487	83.7
81.06603	8.0
81.07049	99.8
83.04958	9.9
83.08603	17.1
85.06513	6.0
91.05467	62.3
93.07024	100.0
95.04938	14.2
95.08591	62.4
97.06506	9.9
97.10161	11.1
99.08079	21.7
105.06991	52.9
107.04940	5.7
107.08585	58.9
109.06513	14.2
109.10118	24.6
110.48613	4.8
111.08082	10.0
113.54117	4.2
114.95857	4.5
117.07004	17.3
119.08564	40.0
121.10121	51.1
123.08060	7.4
123.11702	5.3
123.97001	4.6
124.25626	4.5
125.09566	7.9
131.08539	18.1
133.10112	41.9
135.08044	4.1
135.11662	46.0
137.09604	4.2
139.11197	6.0
143.08559	10.1
145.10057	23.5
147.11670	39.2
149.13284	23.6
151.11133	15.1
159.11685	20.6
161.13242	29.4
163.11205	7.9
163.14757	5.5
171.11656	14.5
173.13191	9.4
175.11180	5.6
175.14801	14.7
177.05545	4.5
179.14220	6.4
183.53688	4.5
185.13297	8.7
187.14781	12.8
189.12770	4.9
199.14792	8.8
205.15839	4.5
218.21486	4.3
221.18962	6.8
241.19501	17.9
259.20462	56.4
260.20920	4.9
277.21631	36.9
333.24210	6.5
351.25223	87.8
352.25455	5.2
356.21826	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76294	1.2
51.79351	1.5
52.71215	1.4
53.03922	3.9
55.05500	18.7
57.03423	7.9
57.07042	3.1
66.88343	1.5
67.05142	2.8
67.05492	49.5
69.03402	1.9
69.07056	18.8
71.04971	3.0
71.08611	3.0
74.72356	1.3
75.04445	1.8
77.03908	2.3
79.05479	74.4
80.05802	1.4
81.07040	64.9
83.04972	2.0
83.08610	9.6
85.06514	4.6
91.05460	53.6
93.07024	96.1
95.04962	8.4
95.08588	41.3
97.06507	4.6
97.10145	4.3
99.08053	3.9
105.07004	60.3
107.08573	58.0
109.06503	3.4
109.10123	14.9
111.08034	2.0
113.09653	2.8
115.05459	2.0
117.06990	14.0
119.08558	55.1
120.41058	1.6
121.10120	49.0
123.08079	1.6
123.11691	5.8
125.09562	1.5
129.06953	7.9
131.08536	24.6
133.10098	44.4
134.10434	2.2
135.08081	1.9
135.11670	48.2
137.09573	2.6
137.13235	1.9
142.07767	1.6
143.08540	11.3
145.10101	23.0
147.11650	51.2
148.12041	2.2
149.09566	2.9
149.13229	28.4
157.10052	10.4
159.11652	18.6
161.13226	38.9
163.11171	3.8
163.14783	10.3
165.12741	1.7
171.11659	16.0
173.13182	11.5
175.14789	17.5
177.12718	2.7
177.16289	2.6
179.14272	6.7
185.13222	13.1
187.14828	4.6
189.12746	3.3
189.16383	1.5
195.13750	2.2
199.14735	9.0
203.14246	1.9
207.13643	1.9
207.38399	1.7
213.16299	6.7
217.19440	3.5
221.15341	1.8
231.17421	3.1
231.20944	8.3
241.19466	36.2
259.20532	100.0
260.20871	4.3
266.30014	1.6
277.21542	15.7
299.76773	1.5
333.24289	10.3
351.25229	67.4
352.25464	2.4
364.88892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.1
55.05502	13.4
57.03421	4.8
57.07050	2.6
65.03914	2.0
67.05493	36.6
69.07053	13.4
71.04963	2.4
71.08578	1.8
71.14811	3.4
75.04485	3.2
79.05021	2.7
79.05482	49.9
81.06609	3.2
81.07043	40.4
83.04964	2.6
83.08599	4.0
85.06551	1.7
91.05463	50.6
93.07028	71.3
95.04935	5.7
95.08591	25.2
97.06519	3.0
97.10114	1.9
99.08050	4.4
105.07009	54.2
107.08573	41.8
109.06492	3.4
109.10133	14.4
113.09583	3.2
117.07005	12.1
119.07744	2.5
119.08563	50.8
119.09406	2.5
121.10130	37.1
122.12219	1.6
123.08036	2.4
123.11658	2.5
129.06969	8.0
131.08563	20.0
133.10103	44.4
135.08046	1.6
135.11661	30.2
138.26355	1.8
143.08560	9.8
145.10085	18.6
147.11659	45.5
148.12015	2.1
149.09544	3.8
149.13235	21.3
157.10181	10.0
159.11658	14.9
161.13237	29.3
163.11131	3.0
163.14792	5.1
171.11653	10.7
173.13245	10.6
175.14822	12.3
177.12767	2.5
185.13266	11.7
199.14749	7.6
201.16414	1.6
203.14275	2.3
213.16374	3.3
217.15671	2.6
231.17424	2.0
231.21028	8.2
241.19473	27.3
259.20526	100.0
260.20944	3.8
277.21597	3.9
285.06024	1.6
333.23932	2.6
351.25290	50.3
351.39697	1.8
352.25497	3.0
365.76392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.9
53.03930	3.0
55.01847	3.7
55.05273	1.5
55.05501	18.8
57.03424	17.7
57.07053	4.9
58.57455	1.0
66.07870	1.2
67.05491	58.4
69.03423	1.9
69.07053	18.7
69.40046	13.0
70.48725	1.1
70.52126	1.1
71.04970	3.8
71.08619	59.2
79.05023	2.2
79.05480	44.9
81.03403	6.9
81.07041	60.7
83.04971	12.3
83.08603	11.3
84.05369	1.0
85.06529	2.2
91.04929	2.2
91.05465	35.1
93.07027	62.2
94.07355	1.3
95.04945	15.8
95.08588	40.4
97.06504	11.4
97.10126	4.3
98.21503	2.5
99.08080	41.6
101.04312	1.3
105.07008	25.0
107.04943	9.3
107.08572	35.2
109.06502	4.8
109.10133	17.2
111.08057	4.9
113.09641	3.1
113.69476	1.3
117.07053	6.2
119.08566	19.0
120.58180	1.1
121.06502	1.5
121.10127	32.1
123.08035	2.9
123.11702	3.1
125.09644	1.8
125.97723	1.2
127.11183	1.8
129.06964	2.6
131.08508	5.5
133.10109	13.5
135.07976	1.7
135.11676	36.8
136.12001	1.3
137.09587	4.5
137.13239	1.2
139.11169	1.6
141.09070	4.5
143.08556	3.5
145.10112	5.9
147.08028	1.1
147.11674	8.0
149.13235	12.1
150.18329	1.1
151.11165	24.7
153.12685	1.7
157.10083	3.0
159.11678	4.7
161.13229	14.3
163.11169	9.4
163.14760	3.1
165.12743	1.5
167.10663	2.9
171.11714	2.8
173.13246	1.8
175.14749	3.3
177.12709	4.8
179.14281	100.0
180.14648	2.7
181.12212	1.9
185.13231	3.3
189.12723	3.4
195.13799	2.4
199.14735	2.3
221.15257	4.0
235.16855	4.0
241.19423	2.6
249.22043	1.4
259.20486	7.1
277.21567	38.7
278.21957	2.3
342.62659	1.2
351.25281	31.6
352.25412	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86491	1.5
53.03934	3.9
55.01851	4.2
55.05501	19.8
57.03428	17.2
57.07059	5.2
67.05492	56.3
69.03418	2.6
69.07056	15.7
69.49668	3.5
69.50074	14.2
70.28854	1.7
71.04969	2.3
71.08619	60.2
72.08083	1.7
79.05478	50.3
81.03396	9.3
81.07041	50.0
81.34478	1.5
83.04970	12.1
83.08597	11.2
85.06538	1.8
91.05465	34.9
93.07028	63.6
95.04952	14.8
95.08592	39.5
97.06499	8.3
97.10152	4.0
99.08073	37.7
105.07011	21.0
107.04939	7.5
107.08572	32.3
109.06490	4.4
109.10144	15.6
111.08084	3.1
113.09589	3.2
117.07008	4.8
119.08559	20.3
121.06429	2.5
121.10120	28.6
122.45078	1.9
123.08088	2.8
123.11690	2.8
129.07001	3.5
131.08548	6.9
133.10110	20.4
135.08066	2.3
135.11670	37.1
137.09579	4.5
141.09091	4.9
143.08556	2.9
145.10126	5.9
147.11664	9.3
149.13251	11.8
151.11165	20.5
153.12770	2.2
157.10101	3.9
159.11682	6.5
159.48822	1.5
161.13232	18.0
163.09929	1.6
163.11147	8.3
163.14859	3.3
167.10669	2.8
171.11700	4.7
173.13216	2.2
175.14818	3.1
177.12732	3.9
179.14279	100.0
180.14618	2.7
185.13208	3.6
189.12762	3.3
199.14751	1.9
221.15334	2.6
231.21155	1.8
235.16849	2.8
241.19554	3.3
259.20499	9.6
277.21573	37.5
279.45340	1.6
351.25256	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
54.82877	2.2
55.01865	4.8
55.05499	25.7
57.03428	15.0
57.07056	7.9
65.03924	3.4
67.05492	61.2
68.05832	2.2
69.03408	3.6
69.07050	29.8
70.34515	10.8
71.04964	5.1
71.08605	2.8
79.05476	80.2
79.95746	2.0
81.07043	86.3
81.26845	2.2
83.04958	7.2
83.08612	10.5
85.06520	5.3
91.05461	67.0
93.07027	100.0
95.04956	11.3
95.08582	51.3
97.06501	7.9
97.10139	3.9
99.08071	5.1
104.72485	2.2
105.07009	66.3
107.04915	5.0
107.08572	64.3
109.06493	13.6
109.10113	20.3
111.04417	8.1
111.08034	4.3
113.09618	2.6
116.75706	2.3
117.06985	15.1
118.76109	2.2
119.07735	3.9
119.08556	64.4
121.06469	2.4
121.10126	51.7
123.00769	3.1
123.07990	5.7
123.11670	7.0
125.09650	3.2
129.06964	8.8
131.08540	29.3
133.10106	61.9
135.08026	4.9
135.11662	51.7
137.05949	68.7
137.09558	4.5
143.08510	17.6
145.10069	21.7
147.08018	2.7
147.11665	60.9
149.09589	6.8
149.13217	29.2
155.08507	3.2
155.63887	2.6
157.10091	15.7
159.11670	27.9
161.09581	5.1
161.13219	43.0
163.11163	6.5
163.14783	13.6
165.09116	2.6
165.12724	2.7
171.11687	17.9
173.13234	11.7
174.17900	2.3
175.11121	6.6
175.14806	19.8
177.12796	3.6
177.16345	4.0
179.10649	3.8
181.10008	2.3
185.13202	17.7
187.14754	4.1
189.12703	6.3
199.14807	6.8
203.14122	2.7
203.17889	4.3
213.16373	6.9
215.17909	4.0
217.19420	4.0
231.17400	9.9
231.21008	10.1
241.19484	38.7
249.18526	5.9
259.20520	96.9
259.23282	4.8
260.20978	2.4
271.16809	2.2
277.17972	23.3
277.21536	22.2
291.57941	2.6
295.18945	7.2
333.24240	11.5
333.27676	2.7
351.12442	3.4
351.21729	4.8
351.25272	64.4
352.25272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.9
53.03946	5.3
55.05510	22.6
55.85739	3.5
57.03418	7.1
67.05492	52.9
69.07063	20.7
70.55989	16.4
71.08611	3.6
79.05474	73.9
81.07040	79.0
82.94873	4.2
83.08590	9.4
85.06519	9.2
91.05461	70.5
93.07027	97.9
93.76796	3.3
95.04953	10.5
95.08589	53.0
97.06519	7.4
97.10139	5.3
99.08060	8.2
105.07016	82.2
107.04948	4.7
107.08572	48.6
109.06471	7.5
109.10130	19.0
113.09628	3.8
117.07005	19.9
119.08561	71.5
121.10135	44.0
123.08047	4.9
129.06952	15.3
131.08566	29.5
133.10101	55.3
135.07979	5.5
135.11662	40.4
137.09618	6.8
143.08537	15.6
145.10104	30.0
147.10594	4.9
147.11671	54.4
149.09612	7.5
149.13206	24.5
155.08578	3.6
157.10109	16.2
159.11665	28.0
161.13222	46.2
163.14757	8.2
169.19579	4.0
171.11653	17.8
173.13235	15.6
175.14806	26.2
179.08517	3.5
183.11694	4.7
185.13225	20.7
189.12659	4.8
193.10030	4.3
195.11674	5.4
199.14815	11.7
209.13020	3.4
213.16341	6.0
217.19559	5.1
231.21043	9.4
241.19487	40.1
244.59984	4.2
259.20551	100.0
260.20886	6.5
277.21573	5.8
351.25757	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47581	3.0
53.03941	5.4
55.01856	7.9
57.03421	6.6
58.21496	3.5
61.02918	4.7
67.05493	7.2
68.99747	3.9
69.03410	44.0
69.07058	86.7
69.38259	3.5
70.06571	6.7
70.07380	3.9
70.95029	9.6
71.04970	7.6
73.02914	5.9
74.78238	3.0
79.02216	3.0
79.05486	5.1
81.03406	28.1
81.07047	6.9
85.02895	100.0
86.09680	11.1
87.00819	46.9
91.05479	9.6
91.89855	3.2
93.07017	8.0
96.11671	3.1
97.02870	59.1
99.04449	14.9
105.01849	88.7
105.07034	4.2
109.02860	24.9
119.04935	6.9
119.08506	4.6
127.03893	83.1
129.01807	4.9
137.09535	3.8
145.04926	61.6
147.02855	5.9
159.02901	17.1
175.03923	7.1
177.05479	4.5
177.09160	5.6
189.03963	7.4
195.10133	6.0
207.06398	7.6
217.04951	4.2
231.04967	25.7
249.06071	9.5
287.83685	4.0
334.13834	5.0
352.17801	3.6
352.22098	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	353.2317
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
50.07747	3.2
50.08019	3.3
53.03940	4.5
55.01860	6.4
55.05490	20.9
57.07056	5.8
59.05009	4.4
67.05492	46.3
69.03423	20.4
69.07066	23.1
70.00768	10.7
70.01165	7.3
71.04982	22.8
79.05473	30.4
81.03381	7.7
81.06558	5.1
81.07043	100.0
81.07529	4.9
83.04948	19.8
83.08604	10.9
85.02905	4.9
85.06511	6.4
91.05453	31.1
93.07026	64.6
95.04956	29.3
95.08589	51.4
97.06522	14.3
97.10175	6.7
105.07018	45.5
107.04928	18.1
107.08579	73.0
109.06497	21.2
109.10144	84.7
111.08044	10.9
117.07028	8.7
119.08564	46.9
121.06477	13.9
121.10116	44.6
123.04354	4.9
123.08048	12.3
123.11680	57.7
125.09615	13.9
127.07520	4.7
127.11157	5.9
129.07056	5.4
131.08545	19.9
133.10103	21.6
135.08038	35.1
135.11690	25.3
137.05914	6.5
137.09593	46.0
137.13254	13.1
137.59711	4.2
139.11186	9.7
143.08531	12.2
145.10089	20.0
147.08058	7.4
147.11697	15.3
149.08549	5.4
149.09593	30.6
149.13249	4.6
151.10040	4.3
151.11169	14.3
153.08997	7.6
153.12685	24.4
155.08540	6.3
155.10631	7.3
157.10124	11.0
159.08015	10.6
159.11656	12.8
160.42709	4.5
161.09613	13.8
161.13237	10.1
163.07523	13.6
163.11172	6.4
165.09056	30.9
165.12711	4.2
167.07077	6.9
167.10674	7.1
168.63275	5.3
171.11649	10.2
171.13805	4.9
173.09581	9.2
173.13258	7.3
175.11159	9.7
175.14838	8.4
177.09129	4.4
177.12683	4.5
179.10689	5.0
181.10045	5.9
181.12273	7.6
183.13922	6.5
185.13214	12.0
187.14789	10.9
189.09074	4.8
189.12714	9.3
191.06960	8.1
191.10609	4.7
191.14357	4.4
195.11711	4.7
197.13268	6.5
199.14728	7.7
201.12724	5.7
201.16289	4.0
203.14320	7.8
207.13785	6.5
213.12756	6.0
215.14311	4.8
217.15787	6.1
227.14362	7.2
229.15895	7.0
231.13823	8.7
235.16956	6.9
245.15312	10.0
271.20413	18.7
281.19016	4.5
289.21716	9.2
290.90881	3.8
299.20050	31.1
317.21066	39.1
321.11203	8.0
335.22070	25.8
353.13666	11.1
353.23074	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	353.2315
Annotation	Phyllostachysin E
Peak:m/z	Relative Intensity
50.99942	4.8
54.93324	4.4
55.01856	4.5
55.05497	18.0
56.79664	4.6
57.07056	7.0
59.04979	5.2
65.03964	4.0
65.62907	4.3
67.05494	50.9
69.03424	8.7
69.07050	38.6
71.04985	32.4
77.98256	4.2
79.05474	30.3
81.03382	4.8
81.07037	100.0
83.04969	12.0
83.08613	4.8
85.06543	7.0
91.05438	25.2
93.07027	54.5
95.04942	28.4
95.08588	62.6
97.06499	14.2
98.20626	6.5
103.05462	5.1
105.06995	31.7
107.08569	67.6
109.06521	21.9
109.10134	96.8
111.08084	8.8
113.09631	5.0
117.07005	9.0
119.08537	44.5
121.02786	5.6
121.06516	6.6
121.10123	38.0
123.08050	11.6
123.11677	57.9
125.09628	9.1
127.11217	10.5
131.08549	18.9
133.10101	16.2
135.07999	25.8
135.11667	28.5
137.05966	6.4
137.09592	50.3
137.13243	18.9
139.11176	13.4
141.09138	5.6
143.08549	13.5
145.06487	5.7
145.10068	28.4
147.04395	8.8
147.08014	12.3
147.11653	17.3
149.09631	23.2
151.11142	9.1
153.09019	13.1
153.12706	31.1
155.10628	5.1
157.10123	14.7
159.07996	8.9
159.11652	13.7
161.09607	8.6
161.13243	9.1
163.07553	13.1
163.11305	4.5
165.09094	42.5
165.12766	5.9
171.11687	6.2
171.13812	6.9
173.09615	9.7
173.13298	6.6
177.09088	12.8
183.10172	7.0
185.13188	14.0
187.14775	9.7
189.12683	5.4
191.10603	7.4
199.14731	6.3
201.16426	5.5
203.14508	6.4
211.14607	6.2
213.12770	8.0
213.16467	5.0
229.15800	8.0
229.55861	5.5
231.13864	5.1
257.19232	5.2
262.11508	4.8
271.20502	30.3
277.17987	6.8
289.21719	10.7
299.20038	39.2
317.21066	48.7
335.22070	31.7
353.23120	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	353.2316
Annotation	20-OH-Leukotriene B4
Peak:m/z	Relative Intensity
50.18763	5.6
55.01831	5.0
55.05499	24.1
57.06246	4.7
57.07073	4.5
59.04985	6.1
60.36614	5.3
67.05498	40.8
69.03413	44.5
69.07058	30.1
69.44473	55.3
70.47454	5.0
70.92353	4.2
71.04972	14.1
79.05469	16.1
81.07042	72.8
83.04974	11.1
83.08614	7.6
85.06546	12.9
91.05463	16.0
92.83013	5.1
93.06509	5.9
93.07038	66.5
95.04963	14.3
95.08592	65.7
97.06503	17.8
97.10146	8.1
105.07027	51.7
107.04987	6.9
107.07885	7.0
107.08571	62.9
109.06496	13.3
109.10132	66.5
111.08070	5.9
113.09628	21.5
114.88546	5.3
117.07015	9.3
119.08581	37.7
121.06481	14.7
121.10124	100.0
123.04398	8.7
123.08060	36.8
123.11710	25.6
125.05891	5.1
125.09604	66.0
129.07019	6.3
131.08543	19.2
133.10124	39.7
135.08025	15.7
135.11679	17.9
137.09602	30.5
139.11174	21.8
142.07788	6.7
143.08530	15.1
145.10091	20.2
147.08116	6.8
147.11635	16.5
149.09631	30.8
149.13251	7.0
151.11130	17.2
157.10081	16.6
158.67358	5.2
159.08014	7.3
159.11632	21.1
161.09608	21.0
161.13286	5.9
163.11165	16.7
165.09026	12.0
165.12746	10.8
167.10658	21.9
169.10016	7.1
173.09604	9.4
173.13278	13.9
175.11165	16.0
175.14847	6.9
177.09114	16.6
179.10643	11.2
183.11716	5.3
185.11618	7.6
185.13257	10.6
187.11234	6.2
187.14786	15.7
189.12640	10.8
189.16315	7.4
191.10602	7.2
193.12071	5.1
197.13281	10.5
215.14262	17.7
219.13727	6.6
229.15767	10.3
231.13789	7.9
233.15331	9.8
239.17841	7.3
253.19507	12.2
257.18777	8.6
271.20493	19.7
281.18976	14.8
289.21527	17.3
299.19943	48.4
317.21121	64.0
335.22147	36.7
353.23425	13.1
369.45792	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	353.2318
Annotation	20-OH-Leukotriene B4
Peak:m/z	Relative Intensity
52.64344	4.1
55.01855	10.7
55.05509	20.3
56.96537	5.4
57.03428	4.7
57.07061	7.2
59.04987	13.0
61.25190	4.4
63.59567	4.4
67.05500	44.1
69.03416	54.9
69.07062	31.6
69.69193	18.3
69.69623	12.8
71.04971	14.2
79.05482	31.2
81.06602	6.5
81.07047	78.3
83.04950	29.8
83.08601	9.7
85.06515	8.9
91.05460	41.2
93.07034	65.6
95.04960	24.0
95.08590	69.3
97.06513	18.4
97.10156	4.9
99.04424	7.3
103.05386	5.7
105.07008	79.1
107.04916	7.7
107.07910	6.7
107.08579	80.5
109.06480	27.2
109.10133	65.1
111.08052	13.6
117.07004	13.2
119.08555	68.1
121.06490	22.6
121.10118	63.4
122.34661	4.3
123.04420	9.5
123.08076	21.1
123.11651	14.3
125.09586	10.9
128.06195	6.2
129.06967	9.2
131.08560	33.1
133.10107	66.3
135.08034	32.7
135.11723	21.7
137.05858	4.0
137.09601	93.0
137.13280	6.1
139.11157	9.6
142.07773	10.6
143.08516	26.4
144.09413	5.9
145.06470	5.3
145.10115	43.6
147.07997	22.2
147.11659	28.1
149.09592	100.0
149.13199	7.5
151.11171	22.8
153.09094	6.8
156.09261	6.3
157.10100	40.9
159.08044	10.3
159.11673	32.4
160.08783	6.1
161.09604	35.1
161.13255	7.1
163.07527	4.6
163.11147	15.6
165.09125	20.8
167.07028	14.6
167.10672	6.6
169.10120	14.1
171.11642	17.6
172.38408	4.4
173.09599	16.3
173.13254	21.1
175.11160	40.4
175.14839	13.7
176.32951	4.6
177.12747	7.4
179.08473	4.1
179.10617	17.4
182.10960	4.6
183.11743	10.7
185.09586	6.9
185.13179	24.5
187.11192	5.5
187.14766	16.4
189.12776	7.1
189.16299	5.5
191.14308	4.4
193.12166	6.9
195.07890	4.5
197.13226	13.3
199.14769	29.8
201.12717	14.2
201.16353	18.9
203.14270	14.2
209.13297	4.8
211.14830	10.4
213.12729	6.7
213.16299	10.3
215.08597	5.4
215.14319	14.0
217.15837	29.1
219.17419	34.2
227.02168	4.4
227.14253	12.1
229.15826	13.4
231.17363	6.5
235.16837	11.5
238.08521	7.8
239.14343	5.4
239.17914	8.4
245.15398	47.0
247.16945	10.5
253.19626	9.6
257.19107	7.9
271.20670	5.9
275.20032	7.4
277.08511	11.7
281.19287	22.2
289.21442	6.6
299.20032	57.1
317.21063	61.8
335.22147	61.5
353.10165	6.7
353.13940	10.7
353.22894	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	353.2316
Annotation	20-OH-Leukotriene B4
Peak:m/z	Relative Intensity
53.03900	4.5
55.01867	4.6
55.05498	13.2
57.07043	5.7
59.04983	7.0
61.36646	4.1
67.05499	30.9
69.03423	46.0
69.07047	18.9
69.60168	35.4
69.72626	4.3
71.04976	15.7
79.05486	25.2
81.07052	59.9
83.04966	8.4
83.08588	6.2
85.06530	12.9
91.05442	22.6
93.07025	57.6
95.04942	13.2
95.08597	59.3
97.06519	20.9
97.10147	8.4
98.21436	5.2
105.07018	48.7
107.04936	7.3
107.08572	57.8
109.06509	11.7
109.10140	59.5
111.08050	6.2
111.11736	5.4
113.09608	19.0
117.07027	7.7
119.04917	5.5
119.08555	41.1
121.06481	12.7
121.10126	100.0
123.04474	4.3
123.08038	41.4
123.11705	34.5
125.05970	7.6
125.09610	49.1
129.06981	4.7
131.08551	23.5
133.10103	30.7
135.08002	16.8
135.11674	15.2
137.09584	15.1
139.11140	17.1
141.09138	4.7
142.07730	4.8
143.08514	12.3
145.09158	4.7
145.10072	28.9
147.08034	14.0
147.11644	18.4
149.09607	37.7
151.11171	11.5
153.09085	5.1
156.09245	5.8
157.10112	19.4
159.08041	13.2
159.11667	18.4
161.09596	18.8
163.11159	10.8
163.78267	3.8
167.10608	22.7
169.10097	12.9
171.11665	15.4
173.09541	16.1
173.13240	14.2
175.11134	29.5
175.14781	8.0
177.09038	13.2
177.12740	5.8
181.09972	4.9
183.11580	5.6
185.13216	10.0
187.11115	9.2
187.14804	9.7
189.12674	8.5
189.16272	5.3
191.10713	5.6
191.14267	5.3
193.12283	4.2
195.10023	5.0
197.13216	10.5
199.11099	4.4
199.14786	5.3
201.12798	9.8
201.16391	4.5
203.14314	7.1
207.20082	4.6
213.12816	6.7
213.16341	13.2
215.14246	16.4
219.13773	8.0
229.15848	13.5
233.15289	8.8
237.14798	7.2
239.14198	5.8
241.15800	8.3
247.16962	8.9
253.19476	7.1
257.18845	8.6
271.20395	20.2
275.19846	11.6
281.18982	13.6
289.21619	15.6
293.20804	6.1
299.19983	57.2
317.21051	53.4
318.21048	5.1
335.22180	33.6
338.51913	4.1
353.13724	5.2
353.23587	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03931	4.1
54.34351	2.9
55.05490	12.2
57.03413	5.5
57.07065	6.3
62.63700	4.1
65.03914	4.0
67.05492	97.1
69.07061	14.4
69.52478	2.7
69.52802	26.5
74.51865	2.7
79.05481	47.4
81.07043	100.0
83.08602	9.6
91.05470	22.7
93.07033	67.2
95.08002	5.9
95.08587	68.4
105.07014	19.4
107.08584	43.1
109.10136	50.0
117.07001	13.8
119.08559	21.8
121.10130	34.2
123.11690	15.3
129.66637	2.8
131.08566	24.3
133.10112	12.9
135.11668	29.7
137.13272	7.5
145.10120	17.0
147.11678	14.1
149.13257	23.2
159.11707	17.4
161.13240	9.2
163.14787	13.4
173.13266	16.8
175.14790	3.9
187.14761	10.4
233.22708	4.9
243.21036	23.5
261.22086	95.6
262.22504	8.6
279.23065	3.9
334.58148	3.5
335.25653	10.9
353.26831	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	2.2
55.01846	0.9
55.05498	14.7
57.03420	5.4
57.07058	4.7
65.03930	3.6
67.05489	92.4
68.05815	1.8
69.07053	12.6
70.00327	4.3
71.04964	2.4
71.08607	1.5
72.97974	0.7
75.04469	1.6
78.19659	0.6
79.05476	39.0
80.05817	1.0
81.07040	100.0
82.07368	2.2
83.04996	0.7
83.08607	6.3
85.06531	2.6
91.05463	19.4
93.07024	51.7
95.04952	3.4
95.08585	69.1
96.08931	2.2
97.06522	2.5
97.10158	3.6
99.08072	1.7
105.06999	14.3
107.08576	33.4
108.08898	1.6
109.06501	2.5
109.10132	36.1
110.10478	2.2
111.08080	1.1
111.11761	1.0
113.09630	1.7
117.07006	7.9
119.08553	13.6
121.10123	28.0
123.08084	1.3
123.11684	20.0
125.09606	0.8
131.08543	17.9
131.09453	1.4
132.08920	0.9
133.10097	11.6
135.08029	0.7
135.11665	24.4
136.12016	1.0
137.09581	1.9
137.13225	6.0
145.10106	12.7
147.11647	9.2
149.13231	20.0
151.11218	1.2
151.14798	2.7
153.12720	1.7
159.11655	13.3
160.12086	1.4
161.13243	8.7
163.11107	1.2
163.14789	11.1
165.12743	1.6
173.13232	14.1
174.13634	1.0
175.14751	3.5
177.12724	1.8
177.16328	4.9
178.16772	0.7
179.14293	2.2
187.14784	9.8
191.14250	1.4
201.16422	3.2
205.15939	1.7
215.17981	1.3
217.19473	0.9
219.17500	0.9
223.16925	0.9
233.19141	0.8
233.22649	4.5
243.21040	20.7
244.21494	1.8
261.22092	87.4
262.22437	7.4
263.23608	0.9
279.23065	5.9
280.23584	0.8
335.25702	10.8
336.25986	1.2
353.26724	20.2
354.27399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86100	1.1
52.64321	1.3
53.03931	2.5
53.28733	1.1
55.01837	1.4
55.05504	15.4
56.88308	1.0
57.03420	3.4
57.07054	3.2
63.43057	1.1
65.03925	2.6
67.05490	91.1
69.07059	11.6
71.04971	3.0
71.08611	1.8
75.04435	1.8
79.05476	42.7
81.07040	92.3
82.07362	1.8
83.08612	6.3
85.06533	2.3
91.05466	22.6
93.07026	59.6
94.07342	1.7
95.04945	4.2
95.08588	65.2
96.08910	1.9
97.06506	3.3
97.10136	2.9
99.08070	2.0
105.07006	18.1
107.08572	41.2
109.06509	1.6
109.10132	36.1
111.51256	1.0
113.09628	2.8
117.06998	10.7
119.08556	15.9
120.08871	1.1
121.10121	31.1
123.08043	2.0
123.11690	18.5
131.08551	20.3
133.10104	13.4
135.11661	25.6
136.12018	1.4
137.09503	1.4
137.13208	8.2
139.11145	1.4
145.10091	17.0
147.11653	11.0
147.29144	1.1
149.13237	20.4
151.14752	2.3
153.12740	1.6
159.11661	14.1
161.13232	9.9
163.14786	13.4
165.12819	1.2
173.13246	17.5
174.13562	1.1
175.14815	3.4
177.12750	1.4
177.16348	5.0
179.14304	1.4
183.81657	1.2
187.14810	9.8
201.16412	4.0
233.22597	5.6
243.21049	21.8
244.21513	1.2
247.80807	1.0
261.22101	100.0
262.22430	5.6
279.23193	2.9
281.10571	1.8
317.49484	1.4
335.25668	6.7
353.26813	19.6
353.95526	1.4
354.26968	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.13007	1.0
52.72887	0.8
53.03928	3.0
53.80651	0.7
55.01847	1.0
55.05507	14.1
57.03429	5.9
57.07059	4.0
65.03923	3.6
67.05495	95.0
68.05812	1.0
69.07055	12.3
70.03274	5.1
70.19332	0.8
71.04977	2.1
73.21138	0.8
75.04469	1.6
79.05482	40.7
80.05808	1.2
81.07044	100.0
82.07372	1.2
83.04971	1.0
83.08608	7.4
85.06526	2.6
86.17719	0.8
91.05465	19.0
93.06427	1.3
93.07034	50.6
95.04945	3.6
95.08589	70.9
96.08942	1.0
97.06519	2.9
97.10146	3.4
98.21159	2.1
99.08069	2.7
103.43804	0.8
105.07005	13.9
107.08577	31.7
107.32355	1.0
108.08942	1.0
108.35928	0.9
109.06532	2.0
109.10137	35.8
111.08078	1.1
113.09634	1.0
117.07021	7.9
119.08564	14.0
121.10129	28.5
122.10443	1.1
123.11686	18.7
124.68282	0.9
129.19420	1.0
131.08549	19.2
133.10123	11.5
135.11684	21.4
137.09558	1.5
137.13278	6.5
145.10083	12.7
147.11664	10.7
149.13237	18.5
151.14772	1.2
153.12753	2.0
159.11676	12.8
159.86890	1.0
161.13254	7.3
163.14777	9.2
165.12657	1.0
173.13237	13.4
175.14815	3.3
177.16356	4.1
179.14235	1.1
187.14763	7.9
191.14304	1.3
192.69304	0.9
201.16365	2.7
204.68268	0.9
233.22595	3.7
243.21072	17.2
261.22113	73.5
262.22318	2.4
279.23123	5.1
317.24512	1.1
335.25815	8.5
353.26794	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.05505	14.0
57.03426	5.0
57.07076	5.5
57.14178	0.7
65.03916	3.3
67.05496	95.4
69.07056	13.9
69.86400	0.8
70.94660	1.6
70.95035	1.5
71.04981	3.1
71.08613	1.5
75.04472	1.5
79.05483	48.7
80.05826	0.9
81.07044	98.4
82.07375	1.6
83.04971	1.4
83.08607	8.1
85.06523	2.2
91.04916	1.5
91.05463	20.5
93.07031	67.6
94.07372	1.2
95.04960	4.2
95.08593	74.2
95.38236	0.8
96.08930	2.3
97.06515	3.3
97.10162	3.9
98.21172	0.8
99.08062	3.2
105.07011	18.3
107.08579	43.9
108.08886	1.1
109.06518	2.0
109.10145	37.9
110.10451	1.4
111.08072	1.9
113.09637	1.9
117.06996	10.3
119.08562	16.8
121.10132	37.2
122.10460	0.8
123.08086	1.3
123.11681	22.0
125.09630	1.4
131.08549	25.1
133.10114	16.5
135.11676	31.4
136.12024	1.0
137.09587	1.3
137.13239	9.9
145.10114	17.9
147.11662	12.9
149.09660	1.1
149.12099	1.6
149.13234	22.9
149.51912	0.8
151.11188	0.9
151.14766	3.6
153.12703	2.4
159.11670	17.3
161.13235	9.1
163.14798	14.5
163.45006	0.8
165.12755	1.9
173.13234	17.1
174.13547	1.4
175.14767	3.6
177.12772	1.1
177.16371	4.8
187.14799	11.7
191.14462	0.8
201.16385	3.1
205.15947	1.3
215.17815	1.0
219.17598	0.9
230.47734	0.7
233.22612	5.1
243.21051	26.3
244.21358	1.3
261.22113	100.0
262.22455	5.5
279.23166	3.6
317.24661	0.8
335.25748	5.0
336.26501	1.0
353.26816	24.7
354.27087	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	1.9
55.05504	13.7
57.03413	6.8
57.07055	4.6
59.04955	0.9
65.03931	2.4
65.56776	1.0
66.94934	1.1
67.05494	92.5
68.05825	1.3
69.07054	12.0
71.04983	3.3
71.08619	2.6
71.59356	2.4
75.04454	1.8
79.05479	37.5
79.61547	1.0
81.07042	100.0
81.43679	1.0
83.08625	7.0
83.61762	1.1
85.06538	1.7
91.04929	1.5
91.05469	20.7
93.07032	51.6
94.07323	1.9
95.04939	2.8
95.08591	73.9
96.08888	1.3
97.06492	3.4
97.10147	3.9
99.08071	2.5
105.07013	16.0
107.08575	33.5
109.06501	2.3
109.10136	37.5
111.08091	1.9
111.11721	1.2
115.05425	1.0
117.07025	7.2
119.08556	12.8
121.10126	27.6
123.08066	1.6
123.11691	21.8
126.09727	1.0
127.11176	1.7
131.08553	19.6
133.10124	12.6
135.11667	26.7
136.11993	1.2
137.09586	1.6
137.13239	8.6
139.11159	1.4
145.10091	14.8
147.11653	12.6
149.13245	19.8
150.13637	1.3
151.11124	1.3
151.14787	2.0
153.12730	1.8
159.11667	12.6
161.13257	10.5
163.11137	2.2
163.14807	10.5
165.12785	1.5
173.13226	17.8
175.14836	3.4
175.40410	1.0
177.16350	4.1
179.14276	1.5
187.14781	9.9
191.14313	2.0
201.16364	3.2
205.15857	2.1
233.22595	4.9
243.21063	21.5
261.22101	99.6
262.22455	5.4
263.23611	1.2
279.23129	7.5
317.24594	1.7
335.25806	11.3
336.26242	1.6
353.26791	23.9
354.27606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.05513	13.2
55.16039	1.7
57.03415	4.9
57.07067	3.1
67.05497	97.6
69.07055	14.7
70.82507	4.2
70.82902	3.4
71.04970	2.8
79.05483	50.9
81.07045	100.0
82.07360	2.5
83.08603	7.0
85.07333	1.8
89.67699	2.0
90.58940	1.9
91.05469	24.1
93.07030	66.8
95.04945	5.2
95.08004	3.6
95.08594	66.9
97.06496	4.2
97.10143	2.9
105.07015	18.2
107.08576	41.4
109.10140	29.3
111.11723	1.6
117.07004	7.5
119.08546	13.9
121.10130	34.3
123.11685	16.0
131.08548	21.7
133.10121	11.9
135.11681	24.9
137.13232	6.2
145.10114	16.3
147.11656	10.6
149.13239	18.5
153.12744	3.1
159.11647	12.8
161.13235	8.3
163.14769	10.4
168.85535	1.7
173.13249	14.1
175.14856	2.7
177.16405	1.9
187.14827	9.5
201.16472	2.3
205.15816	1.8
243.21169	14.0
261.22104	76.2
262.22562	2.9
279.23215	4.1
301.68021	1.9
335.25806	3.1
353.26852	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.67968	1.9
53.03924	4.1
55.05503	17.9
57.03415	5.1
57.07057	8.0
61.79582	1.5
65.03922	4.1
67.05492	94.5
67.92345	1.7
68.05825	4.1
69.07049	13.7
69.51852	1.5
69.94699	10.6
70.06560	3.1
71.04971	3.9
71.08625	5.8
79.05482	61.5
81.07043	100.0
81.84318	1.7
82.07359	3.6
83.08602	6.7
84.04486	1.7
85.06528	3.8
87.24763	1.7
88.07598	2.8
91.05460	34.1
93.07025	73.6
95.04954	5.5
95.08590	79.0
96.08932	1.9
97.06508	6.8
97.10188	2.7
98.21397	3.3
99.08099	4.1
105.07020	25.5
107.08578	44.2
109.06509	3.6
109.10124	27.8
113.09628	2.0
117.06995	11.8
119.08546	14.7
121.10119	35.5
123.08047	2.3
123.11713	15.3
129.06990	2.2
131.08549	30.8
133.10110	14.3
135.11673	28.2
137.13219	7.5
143.08531	2.4
145.10097	22.0
147.11674	11.4
149.09671	2.2
149.13235	23.9
151.14778	3.7
159.11661	14.7
161.13205	9.8
163.14775	19.0
169.10062	2.7
173.13214	18.8
175.14815	6.0
177.12636	1.8
177.16414	5.9
179.14360	2.0
187.14781	10.9
193.65495	1.9
201.16388	5.4
204.59987	1.9
233.22668	8.3
243.21039	26.9
244.21451	3.4
261.22092	82.0
262.22433	5.3
279.23395	2.3
335.25726	6.1
353.24875	5.8
354.33591	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	354.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27012	1.3
51.62719	1.3
53.03931	4.2
54.85946	1.1
55.01870	6.5
55.05489	2.8
57.03442	7.4
61.02914	8.2
68.99768	1.9
69.03419	37.3
69.07066	2.1
69.75822	2.4
69.76229	8.5
71.04979	5.8
73.02899	5.5
73.33749	1.3
79.05469	1.8
81.03400	19.4
81.07034	4.1
82.07370	1.9
85.02891	100.0
87.00819	42.3
87.01329	1.3
87.04480	2.0
91.05416	3.0
93.07047	2.4
95.08597	3.0
97.02876	33.9
99.04436	13.7
100.42009	1.5
105.01849	74.7
105.06992	2.5
107.04935	2.6
108.04443	2.5
109.02863	24.0
115.05453	1.5
117.01849	2.0
119.04948	2.5
119.08564	2.6
121.06487	1.5
121.10132	2.4
123.08150	1.7
126.05518	1.6
127.03894	74.1
129.01831	2.9
134.10442	1.5
137.05917	2.0
137.09567	2.7
143.08516	1.4
145.04941	35.4
145.10117	1.6
147.02846	1.9
147.04393	8.9
159.02879	13.1
167.07008	1.8
177.75163	1.3
189.03929	3.0
213.03891	2.6
231.04883	16.8
249.05943	4.2
265.36813	1.3
300.09399	1.7
326.14716	1.5
361.51074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3361
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05500	8.2
57.07074	14.0
58.06590	13.0
60.04236	1.7
60.04517	25.9
67.05483	5.7
68.63838	1.0
69.07060	17.1
70.02927	1.9
70.06584	2.9
71.04965	1.5
71.08620	7.8
71.40415	2.0
71.67936	1.0
72.04467	1.2
74.06061	1.5
79.05486	1.5
81.07044	15.3
83.08610	13.0
84.08147	4.9
85.10163	3.1
86.06054	1.7
87.06830	1.8
90.16000	1.0
93.07039	2.1
94.77417	1.1
95.08588	13.4
97.10147	10.2
109.10130	7.3
110.10495	1.1
111.11697	6.0
123.11678	3.8
125.13215	1.5
137.13191	2.2
151.14772	1.6
182.57553	1.3
191.22104	1.1
268.29956	12.7
294.31519	4.6
307.29929	2.6
308.33105	3.3
310.31110	3.3
312.32867	1.3
326.34134	1.5
336.32516	9.7
354.33597	100.0
355.33929	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1018
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
58.89335	0.6
63.02363	0.7
69.61647	0.6
71.00215	1.0
71.00555	1.1
79.05478	1.6
83.04956	1.2
87.25556	0.6
89.03905	7.6
107.04939	2.9
111.99430	0.6
112.55545	0.7
114.65163	0.6
117.03365	9.7
135.04401	19.7
145.02843	12.3
145.03970	1.2
148.27293	0.6
163.03885	100.0
164.04263	0.9
167.22672	0.7
243.98666	0.6
367.29056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1015
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
60.87189	1.4
61.73152	1.2
68.36990	1.2
70.95747	2.7
70.96114	2.6
79.05497	2.1
89.03899	9.4
89.21384	1.5
107.04924	3.2
117.03358	11.1
117.63847	1.4
135.04404	22.2
145.02847	16.9
163.03880	100.0
164.04216	3.3
188.86371	1.5
207.17439	1.2
297.02960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2472
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03961	3.6
55.05500	15.7
55.79710	3.6
56.06492	3.6
56.89405	4.4
57.07058	4.5
59.04974	11.3
67.05492	44.3
67.88892	4.4
68.74548	3.9
69.03410	14.6
69.07054	32.1
69.43536	17.0
69.43961	25.6
71.04974	14.5
74.02288	3.6
79.05470	26.3
81.07040	76.8
83.04958	16.8
83.08611	9.2
85.02895	4.4
85.06535	6.4
91.05477	19.3
93.07025	52.5
95.04951	26.7
95.08591	100.0
97.06505	11.9
97.10143	4.9
98.21415	9.0
98.26067	4.4
99.08099	5.0
105.03372	4.1
105.07018	39.8
107.04938	8.8
107.08575	60.2
109.06532	18.1
109.10128	88.3
111.08083	14.0
111.11724	6.3
117.06990	5.0
119.08569	33.4
121.06490	11.9
121.10134	48.6
123.04420	4.6
123.08035	13.2
123.11677	23.4
125.09602	6.8
131.08528	14.2
133.10115	22.6
135.08041	16.2
135.11671	20.4
137.05916	9.4
137.09604	21.8
137.13257	4.2
139.07478	4.4
139.11136	7.5
145.10080	20.6
145.95360	4.2
147.11664	15.7
149.09615	11.9
149.13235	10.3
149.74300	4.1
151.11156	13.8
157.10080	6.7
159.10561	4.1
159.11638	21.9
161.09549	6.4
161.13292	9.0
163.03839	5.3
163.11211	6.9
165.09117	5.1
169.10136	4.5
169.12221	6.6
171.11600	5.6
173.13293	8.3
175.14737	5.4
177.16382	12.0
185.13284	6.4
187.11105	4.7
187.14719	6.8
191.14264	11.8
193.04947	4.8
199.14752	6.8
201.16386	11.2
203.17957	6.1
205.15829	6.3
213.16322	5.1
215.18002	4.6
220.06055	6.3
229.15883	13.5
231.17412	10.6
247.09920	4.2
247.16890	37.1
253.19345	6.8
265.15573	4.6
268.98016	5.4
271.20706	4.9
277.21616	4.3
279.19202	6.4
283.20383	4.0
285.00888	7.0
291.22977	8.1
301.21600	7.2
309.24091	5.5
319.22620	25.9
323.09195	6.8
325.10663	7.4
337.23703	12.3
355.11850	6.2
355.26001	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	355.2833
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05500	38.3
57.03424	10.5
57.07048	16.2
67.05492	87.6
69.06726	6.4
69.07056	60.7
70.06562	8.4
71.08614	7.4
75.01859	5.3
79.05475	32.6
81.07041	100.0
83.08596	35.0
88.07618	10.2
91.05405	9.3
91.05864	7.4
93.07022	39.6
95.04952	6.6
95.08009	8.3
95.08591	94.7
96.04429	5.1
97.06509	8.4
97.10145	29.3
97.75687	4.9
98.08002	4.0
98.20882	5.8
105.06988	13.2
106.08649	6.2
107.08556	29.3
109.10126	47.3
111.08045	6.8
111.11686	9.8
114.07375	5.8
116.69610	4.4
119.08536	21.5
121.10103	36.4
123.11655	25.4
129.05348	5.7
133.10109	25.0
135.11679	19.4
137.13219	7.7
147.11650	15.6
149.13136	10.9
151.14818	6.3
155.10667	5.6
161.13231	19.0
163.14781	17.6
165.16411	7.5
167.14331	4.7
175.14864	14.5
179.17896	6.9
189.16347	4.4
245.22618	62.4
246.22728	5.9
263.23636	51.7
285.00842	6.7
323.21213	4.9
337.27335	34.3
355.28421	6.9
356.35123	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03938	2.5
55.01850	4.0
55.05504	37.8
57.03429	11.6
57.07066	12.1
63.06583	2.1
63.48401	2.0
67.05139	4.1
67.05494	73.8
67.26681	1.6
69.07058	46.7
69.98160	3.7
69.98557	10.4
71.04980	2.1
71.08620	6.1
79.05486	28.2
81.07045	100.0
83.04969	4.1
83.08611	29.0
85.06516	3.4
91.05406	16.2
93.07030	27.7
95.04951	3.7
95.08592	81.4
95.09205	4.1
97.06488	9.1
97.10147	19.1
99.08082	3.9
105.07024	17.3
107.08582	20.6
109.06477	1.9
109.10148	38.0
111.08074	5.0
111.11697	5.7
119.08589	16.0
121.10119	28.8
123.11686	18.3
129.05479	6.5
133.10091	16.8
135.11685	13.9
135.92099	1.8
137.09590	2.4
137.13231	6.5
142.40941	1.8
147.11671	9.5
149.13202	15.0
151.14795	6.8
161.13231	14.5
163.14725	9.5
165.16335	5.7
167.14302	2.8
175.14786	12.2
177.16318	2.7
179.17950	2.6
189.16325	4.5
227.26556	1.9
245.22624	35.1
263.23663	32.6
337.27310	22.9
355.28339	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	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.0
56.36201	3.8
57.03416	7.8
57.07061	12.3
60.64307	3.8
67.05495	59.8
67.84338	3.7
69.07060	38.9
70.06580	14.1
71.08641	4.1
71.69532	6.6
79.05486	17.1
81.07047	73.5
82.07345	5.8
83.08593	22.4
88.07615	18.9
91.05824	10.6
93.07041	25.0
95.08591	50.7
97.10155	15.2
103.77714	4.3
105.07032	11.1
106.08705	6.1
107.08575	15.6
107.12106	4.2
109.10140	26.9
119.08585	17.1
121.06436	4.6
121.10143	15.8
123.11707	13.7
133.10139	15.2
135.11690	11.2
136.54813	4.0
143.27794	4.1
147.11674	10.2
149.13257	4.1
161.13264	7.2
163.04001	9.3
163.14807	8.1
175.14803	10.0
245.22629	26.5
263.23715	28.5
285.01160	6.6
312.38263	4.2
337.27277	15.0
355.24222	14.0
355.33948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1327
Annotation	Coniferyl ferulate
Peak:m/z	Relative Intensity
53.03930	1.8
55.01852	2.6
55.05490	2.6
56.96550	1.9
62.69833	0.8
65.03914	1.3
67.05492	4.3
68.99758	1.0
69.03399	1.3
69.07040	2.4
71.17982	2.1
73.16740	0.8
74.21407	0.7
74.38769	0.7
79.05463	4.8
79.40373	0.8
79.84638	0.8
81.03400	2.2
81.07048	4.7
83.04964	2.1
83.08598	1.3
85.02898	1.3
87.57684	0.9
91.05434	8.7
91.24686	0.9
93.07034	9.2
94.04165	2.1
95.04960	4.5
95.08585	3.8
97.02896	1.2
97.06509	1.3
103.05441	5.1
105.07023	6.0
107.04929	11.1
107.08554	2.0
109.02848	1.2
109.06490	2.5
109.10153	1.5
111.04417	2.1
113.01635	1.1
115.05495	1.1
117.07019	2.2
119.04927	1.8
119.08599	1.6
120.05695	2.2
121.02871	1.0
121.06485	28.7
121.10121	2.7
122.03601	4.5
123.04439	6.5
123.11677	1.0
129.07014	3.1
131.04903	14.2
131.08557	1.1
133.06453	3.8
133.10109	1.4
135.04367	2.9
135.11708	1.1
137.05952	69.9
138.06277	1.6
139.03876	44.6
141.06996	0.9
143.08516	1.5
145.06407	1.7
145.10068	2.2
147.04399	3.0
147.08025	1.3
147.11629	1.1
148.05038	1.0
148.71352	0.9
149.05951	75.0
150.06346	2.0
151.03883	1.5
151.07555	1.1
153.05365	1.6
153.07011	1.0
155.08531	3.3
157.06458	2.0
160.05196	3.1
161.05956	5.3
161.09560	1.8
163.03889	3.8
163.07529	8.2
163.11150	1.5
165.05424	2.0
165.06880	1.0
165.09079	1.3
167.03391	1.8
167.07030	3.6
167.08409	0.9
167.81735	0.8
169.06473	1.4
172.03928	1.2
173.09554	1.6
175.07512	3.6
177.05431	26.4
177.06993	1.3
177.09113	3.0
183.08034	2.5
187.07516	1.9
189.05515	1.1
189.09035	6.6
190.09846	2.4
191.10648	7.2
193.08562	2.0
193.12292	1.2
200.08325	0.9
201.09050	2.2
204.06494	1.3
205.08617	5.3
205.12326	1.0
207.10075	0.9
215.10637	4.8
219.10129	75.7
220.10556	3.2
267.09125	1.9
269.08966	1.0
285.10101	3.8
287.10178	12.1
297.11209	1.8
307.13162	1.5
325.10278	1.0
339.12320	2.2
339.16476	3.1
357.13303	100.0
357.17850	8.2
358.09531	1.1
358.13553	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	357.263
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
51.19323	3.5
55.05502	18.8
56.96550	4.5
57.03430	8.0
57.07051	5.2
59.05001	3.0
67.05485	33.4
69.03392	5.2
69.07049	28.6
69.82088	8.5
69.82507	20.3
70.10249	3.2
71.04972	11.1
79.05476	22.0
81.03390	4.9
81.07040	100.0
83.04957	5.6
83.08607	11.9
85.02911	5.2
85.06525	6.4
91.05476	15.5
93.07021	38.2
95.04964	9.7
95.08588	79.6
97.06541	11.7
97.10161	9.5
98.20626	3.9
99.04433	6.7
103.05490	4.7
105.07028	24.0
107.04914	29.5
107.08571	36.1
109.06494	6.6
109.10133	44.6
111.08088	6.0
113.09630	6.8
119.04943	7.9
119.08551	23.1
121.10148	26.1
121.14671	3.2
122.03541	3.7
123.04408	13.9
123.11684	31.0
125.09628	3.8
127.03908	4.4
129.07053	3.8
131.04887	5.2
131.08542	9.6
133.06482	13.9
133.10100	14.8
135.11707	11.7
137.05942	24.7
137.13239	8.3
139.03824	9.9
139.11150	5.8
143.08542	6.0
145.06419	4.1
145.10095	10.8
147.04414	4.3
147.11655	8.4
149.06003	5.2
149.09673	4.3
149.13237	19.2
151.07539	5.0
151.11179	4.1
159.11633	5.0
161.05946	18.8
161.13261	9.8
163.07552	6.7
163.14752	7.3
165.05463	5.8
167.07068	10.6
172.03879	8.5
173.13428	4.4
175.07509	4.8
183.11757	4.0
187.14772	4.9
193.08620	9.6
198.07835	4.0
203.17969	4.7
204.06581	6.1
205.08578	11.1
214.08569	4.0
219.10114	7.3
230.06546	8.9
275.23730	10.5
281.24680	6.2
287.10153	35.1
293.24680	37.1
294.24799	4.4
311.25955	4.1
336.02081	3.8
339.16675	6.3
357.13223	13.6
357.17975	21.3
357.24744	4.5
358.13412	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	357.2992
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05493	52.7
57.03431	12.3
57.07049	46.9
67.05486	80.9
69.07056	99.4
71.08606	29.6
71.70528	14.9
79.05462	60.3
81.06619	16.7
81.07042	89.4
83.08604	74.3
85.10169	18.8
93.07014	45.4
95.08594	100.0
97.06517	28.1
97.10154	38.0
99.58449	12.8
107.08593	62.9
109.10132	49.1
111.08060	19.6
111.11713	14.3
121.10117	78.0
125.09631	18.6
135.11682	60.6
136.14690	12.4
141.57927	13.1
149.13226	26.6
153.12651	16.1
156.03578	12.8
159.08130	14.8
163.14774	17.7
165.16441	21.1
175.73886	12.8
212.34984	11.6
222.03603	11.6
247.24092	96.4
265.25220	70.6
339.06903	13.6
339.28854	34.7
357.12512	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.2
55.05510	25.3
56.05844	2.5
56.83064	1.4
57.03418	4.8
57.07067	15.6
58.44079	1.4
60.04503	3.6
67.05498	23.3
69.06688	2.6
69.07058	39.7
70.06586	9.3
71.04948	2.0
71.06895	3.1
71.08625	10.3
79.05475	17.6
81.07042	32.9
83.08606	24.9
85.10173	3.9
88.07608	12.5
89.07974	2.6
91.05444	1.9
93.07029	22.6
95.04940	1.6
95.08591	23.9
96.08907	1.7
96.47916	1.6
97.06527	12.3
97.10153	14.2
102.09165	3.5
103.03926	1.5
104.07078	1.7
105.07023	2.5
106.08650	6.2
107.08566	15.1
109.10150	15.5
111.08082	3.9
111.11707	5.6
121.10128	30.9
123.11694	4.3
123.55813	1.7
125.09585	2.7
125.13196	1.9
129.05507	1.9
135.11670	19.2
137.13197	1.7
140.67810	1.6
145.10062	1.7
149.13229	5.7
151.14822	2.0
163.14813	3.7
165.16295	2.2
177.16368	3.8
226.88612	1.6
247.24200	27.1
265.25238	19.9
298.27328	1.9
339.28995	11.6
339.34460	5.6
340.28723	2.3
357.35513	100.0
358.29309	4.0
358.36429	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	359.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01856	7.4
55.05507	19.0
55.06315	2.4
57.03430	16.3
65.03944	4.5
67.05497	15.2
68.99784	6.9
69.03419	100.0
69.57249	20.1
71.01337	8.2
71.04984	12.3
73.02898	3.5
79.05482	8.4
81.03405	84.9
81.07047	9.1
83.04971	77.6
85.02893	40.0
87.00819	6.1
87.04464	3.0
89.06062	2.1
91.05455	7.6
93.07027	5.7
95.01304	5.2
95.04958	25.0
97.02883	38.5
97.06541	4.3
98.21453	4.6
99.04444	18.2
104.18239	2.4
105.01801	2.8
105.07011	4.3
107.04930	8.3
107.08591	3.5
109.02869	29.3
109.06519	7.5
109.10155	3.1
110.03728	2.8
111.04430	60.7
111.30533	2.2
113.05998	12.3
117.06951	3.8
119.04950	4.7
119.08645	2.7
121.06506	6.1
123.04412	19.7
125.02319	8.2
125.05976	3.1
127.03884	31.2
128.04189	2.4
129.01895	2.3
129.05450	5.3
135.04408	6.1
135.08051	3.1
137.05936	7.5
139.03870	3.6
141.05437	3.5
147.04367	4.4
149.05922	6.1
151.03894	11.9
153.05400	5.0
157.04939	20.8
157.10167	2.7
159.06543	3.2
161.74838	2.6
163.07500	5.3
165.05460	9.6
191.07040	3.8
209.08025	3.9
213.03885	6.5
237.07579	8.8
255.08646	10.9
318.26141	2.7
341.08591	17.1
359.09714	8.7
359.27457	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	359.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77486	0.9
57.03402	1.3
61.02892	1.6
67.05479	1.5
69.03406	3.7
69.07038	1.0
69.35217	11.1
70.06571	1.1
79.05492	2.6
80.04990	3.6
81.03414	2.3
81.07042	1.8
85.02904	8.5
86.09679	2.2
91.05467	4.7
93.07039	6.0
95.04924	1.2
95.08582	2.2
97.02872	2.6
98.20663	2.0
105.07018	8.1
107.08574	28.8
108.03672	1.0
108.04453	2.5
108.08916	1.1
109.10138	2.3
111.00838	1.4
111.04413	1.0
115.67225	0.9
116.09900	0.9
117.06972	1.1
119.08543	5.0
121.06511	1.1
121.10115	5.2
121.66662	0.8
123.11700	1.9
127.03860	1.4
131.08475	1.7
133.09175	1.5
133.10104	19.7
135.11592	1.0
136.69386	1.0
137.02254	2.2
137.09576	1.2
139.07530	1.1
143.08565	1.8
149.09607	4.4
151.07509	1.3
151.11168	7.0
155.08505	1.3
161.09648	6.1
167.08546	1.1
167.10669	11.8
174.31474	0.9
179.10654	15.7
182.14380	0.9
183.08055	1.4
185.70515	1.0
197.11700	100.0
198.11986	2.0
205.10039	1.0
208.09808	1.0
296.05353	1.0
302.04089	1.4
314.13574	1.4
318.06027	2.1
331.11652	2.9
332.14975	1.1
342.06049	2.5
359.11398	2.6
360.07059	3.1
360.14145	4.4
373.89761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1692
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.87391	0.6
55.01857	0.8
57.03411	0.8
59.48431	0.6
61.02895	1.6
67.05492	1.3
69.03397	2.1
69.89109	4.1
76.45397	0.6
79.05464	2.6
80.46806	0.7
81.03398	0.7
81.07046	2.2
82.81100	0.7
85.02884	8.2
86.09715	0.8
91.05450	3.0
93.07037	5.1
95.08566	1.9
97.02855	1.4
105.07016	7.2
107.08575	31.1
109.02837	0.8
109.06502	0.8
109.10120	1.7
113.48817	0.6
119.08575	5.9
121.10136	5.4
123.11716	0.7
127.03905	1.4
131.23438	0.6
133.06468	0.6
133.10104	18.1
137.05948	1.6
137.09663	1.2
139.07491	1.5
143.08542	1.3
145.04881	0.9
149.09573	3.2
151.07512	1.2
151.11162	8.1
161.09604	6.2
167.10654	12.6
179.09213	1.2
179.10646	16.0
197.11696	100.0
198.12036	2.5
238.61931	0.6
245.04529	0.6
279.66608	0.6
327.71951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06198	0.7
54.00057	0.7
56.96550	10.2
57.03416	0.8
62.29185	0.7
65.67551	0.6
68.99747	0.8
69.03410	1.8
70.06570	2.2
70.11212	2.8
73.02887	1.0
74.97607	1.6
78.77692	0.8
79.05468	0.9
84.04493	0.9
84.08109	1.3
84.40055	0.6
84.96046	1.1
85.02902	5.0
89.03900	1.2
95.04923	0.8
95.90212	0.7
97.02857	1.3
98.97595	1.8
107.04917	0.8
110.07142	0.9
111.04398	0.7
112.07578	1.3
116.98611	1.9
117.03408	0.8
119.04868	0.8
121.06483	1.0
122.08568	0.7
123.04383	5.5
127.03889	2.1
130.08620	1.5
133.97916	0.7
134.99612	0.8
135.04457	4.0
136.07472	0.8
137.05930	0.8
138.02330	1.4
139.03871	5.6
143.00099	1.7
145.02760	1.0
145.04921	0.9
147.03160	0.9
147.04343	1.9
153.05473	1.0
156.03288	29.8
156.04568	1.5
158.99649	0.8
160.02797	0.9
161.01190	1.2
161.06010	0.8
163.02632	1.1
163.03877	8.6
163.07549	1.7
164.04173	0.9
168.03273	9.6
173.05966	0.9
174.04359	60.5
175.04745	1.1
179.07013	0.8
180.06523	1.6
186.04353	85.5
187.04594	2.1
190.08638	1.1
191.07002	9.4
192.05402	13.4
197.05963	2.3
198.11301	1.9
204.05414	100.0
205.05768	1.9
208.09671	14.2
209.05907	5.1
222.06508	5.7
227.06963	4.9
231.02873	7.4
232.04926	0.9
237.02795	0.9
244.04903	7.0
249.03915	25.7
256.04794	0.8
262.05951	14.2
267.04871	1.4
270.10101	1.3
272.05469	3.0
274.05954	1.4
275.06149	1.2
279.10233	5.4
284.08063	3.1
285.07413	1.7
292.66751	0.8
297.11200	11.8
302.09079	11.1
315.12204	0.8
325.10577	1.8
342.08435	1.8
360.10059	3.3
360.14417	2.4
362.74414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
55.01844	1.1
57.03411	0.7
68.99780	1.2
69.03410	0.8
70.06581	3.0
71.43021	1.5
79.05476	1.5
80.05000	0.8
81.07020	1.2
83.01311	0.8
91.05453	2.1
93.06985	1.5
95.04972	3.2
95.05429	0.7
95.08584	0.6
105.07021	1.5
107.04896	1.6
107.08553	0.9
115.05423	0.8
117.07007	3.4
119.04939	3.0
121.06486	4.2
123.04415	29.8
135.04344	2.4
135.08011	3.8
136.07533	2.6
137.05962	1.5
145.06448	2.7
147.04391	11.6
148.05153	0.8
149.05975	3.0
151.03850	1.3
157.06485	1.0
161.05923	2.7
163.03891	1.6
163.07521	16.7
165.05452	6.3
167.07030	1.5
173.05943	9.2
175.07529	1.8
176.04677	0.7
177.05472	0.6
179.06998	5.9
185.05937	1.6
187.07474	1.0
188.06955	0.7
190.08603	15.7
191.07001	72.8
192.07333	2.0
198.88545	0.5
203.07056	3.6
208.09660	100.0
209.09982	2.8
220.09694	1.7
221.08043	1.4
238.59087	0.6
278.41516	0.6
325.10629	4.8
342.13287	3.2
343.11606	7.4
344.12061	0.8
350.17441	0.6
360.14383	30.3
361.14740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.6
57.03404	1.1
65.03899	0.4
67.05509	0.6
68.99771	0.9
69.03415	0.6
70.02560	1.6
70.02974	1.0
70.06567	2.2
79.05466	0.7
81.07027	1.0
83.01315	1.0
91.05457	1.1
93.07011	0.4
95.04949	2.2
95.08591	0.4
103.05425	0.4
105.03265	0.4
105.06995	1.2
107.04893	1.2
107.08566	0.9
109.47688	0.5
110.42625	0.4
115.05408	0.9
117.07007	2.3
119.04939	2.5
121.06505	3.1
123.04413	19.1
135.04376	1.6
135.08029	3.0
136.07529	2.0
137.05952	1.2
139.03868	0.5
140.25815	0.4
145.06465	2.9
147.04388	7.3
149.05959	1.8
151.03894	1.8
157.06470	0.6
161.05922	1.4
163.03865	1.4
163.07518	12.1
165.05464	4.2
167.06973	0.5
173.05952	6.3
175.07536	1.0
179.07007	4.4
185.05904	1.0
189.05431	0.5
190.08612	12.3
191.07001	61.0
192.07283	1.2
203.07013	3.2
207.06473	0.6
208.09660	100.0
209.09993	2.5
220.09663	1.6
296.12570	0.4
324.80872	0.4
325.10651	5.6
342.13257	4.2
343.11691	2.7
360.14365	25.6
361.14618	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2371
Annotation	Broussonetine N
Peak:m/z	Relative Intensity
53.03928	0.8
54.03450	0.9
55.01857	0.9
55.05278	0.7
55.05503	9.5
56.05012	2.1
57.03395	0.7
57.05806	1.8
57.06815	0.9
57.07066	7.5
60.04507	1.4
61.02930	0.7
67.05505	6.6
68.05005	2.1
68.99781	1.4
69.03404	2.5
69.07058	7.0
70.06576	5.2
70.64352	1.5
70.64753	1.5
71.01345	0.8
71.08620	3.9
72.04481	1.2
73.02892	2.7
79.05479	2.5
80.05001	3.1
81.03419	1.1
81.07043	8.1
82.02908	0.9
82.06558	2.2
83.01319	1.3
83.08595	3.3
84.04485	2.0
84.08139	0.9
85.02881	2.3
85.10156	2.1
86.06072	0.8
89.02362	1.3
91.05444	1.3
93.07026	2.2
94.06551	1.6
95.04947	1.1
95.08581	6.7
96.04480	5.4
96.08113	1.9
97.02872	2.8
97.05277	0.9
97.10152	2.2
98.06035	2.8
98.09682	0.9
100.03958	2.2
101.02340	1.4
107.08583	1.4
108.04460	1.0
109.10149	2.3
110.06010	2.1
112.03960	2.2
121.10106	1.0
122.06009	1.0
124.03973	1.6
125.02352	1.1
126.05572	1.4
129.01859	1.3
138.05470	1.5
142.04996	1.8
160.06166	1.2
166.05008	0.8
173.06012	0.7
178.07106	2.3
180.06558	1.0
182.18999	1.4
183.17369	1.1
184.79985	0.7
194.19135	0.9
196.20610	3.1
214.21590	1.2
220.20537	0.9
224.20047	6.3
226.21712	1.8
236.20093	1.7
238.21568	5.1
240.19579	3.7
242.21095	2.1
248.20084	3.4
250.21669	2.7
251.20079	3.8
252.19531	2.8
254.21112	9.9
255.19545	2.2
264.19501	1.2
266.21124	15.2
267.21341	1.1
270.20624	19.1
272.22186	0.8
278.21140	1.6
282.20724	0.9
296.22211	2.0
306.20676	1.6
307.21301	1.4
312.21655	1.9
324.21716	7.7
342.22668	13.1
360.23758	100.0
361.24036	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	360.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
54.03444	1.5
55.01867	1.4
55.05506	17.2
56.05035	9.4
57.03425	4.5
57.07068	27.7
60.04514	7.1
66.51822	1.2
67.05496	18.8
68.05016	4.8
69.03405	2.9
69.07056	22.3
70.02928	2.4
71.04981	7.2
71.08623	18.0
72.04500	10.3
79.05485	13.4
81.03379	1.4
81.07047	25.2
82.02942	2.2
82.06578	5.0
83.01340	4.6
83.04961	7.0
83.08610	13.3
84.04491	36.0
85.02897	7.7
85.06541	2.4
85.10174	8.0
86.06062	10.8
88.03986	8.9
91.05471	4.7
93.07029	11.4
95.04946	3.9
95.08592	25.0
96.04482	4.6
96.08080	1.6
97.02885	3.2
97.06517	3.0
97.10148	8.5
98.06033	2.8
98.21066	8.2
99.11736	1.7
100.03969	8.2
104.03424	1.5
105.07014	2.6
107.04927	2.8
107.08575	6.6
109.10152	11.4
110.06035	1.7
111.04428	2.8
111.11665	3.0
112.03952	100.0
114.05519	3.7
117.06996	2.7
119.08511	2.3
121.06462	1.7
121.10140	6.0
123.11688	5.0
124.03906	6.0
126.05491	1.6
128.03423	1.5
131.08560	4.0
132.06549	3.7
135.08086	1.4
135.11661	3.3
137.13234	3.6
138.05516	2.0
145.10023	1.4
148.07475	1.1
163.14828	1.3
189.60872	1.3
211.20537	6.1
225.22099	2.1
233.22617	2.2
243.21045	2.7
250.25223	5.8
251.23686	14.4
257.24713	7.4
261.22070	5.8
278.24747	14.6
279.23151	30.3
280.23572	1.5
294.67117	1.4
296.25784	11.4
306.24203	11.9
310.23755	3.2
314.26797	1.6
324.25275	20.4
342.26300	3.5
360.27499	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	360.2738
Annotation	3-hydroxylauroylcarnitine
Peak:m/z	Relative Intensity
55.01865	2.2
55.05504	9.2
56.05015	5.2
57.07052	5.8
58.06580	2.6
60.04518	48.1
61.12782	1.2
64.99898	1.3
67.05492	9.8
68.05009	5.8
69.07056	9.5
70.01871	7.7
70.02927	5.8
70.06570	2.4
71.08623	3.0
72.04501	9.3
73.02898	1.8
74.06036	1.6
79.05466	5.9
80.05012	11.3
81.07061	10.9
82.06548	3.7
83.08607	6.7
84.04472	6.7
85.10116	1.6
86.06046	3.6
90.05551	2.4
91.05453	2.9
93.07014	5.1
94.06546	6.3
95.04938	3.7
95.08585	9.3
95.92529	1.3
96.04475	4.2
96.08107	2.7
97.10145	3.4
98.05969	1.9
100.03962	4.1
105.07000	3.3
107.04908	2.2
107.08560	3.8
108.04462	2.1
109.10117	4.6
110.06009	6.9
114.04787	1.5
114.05501	5.8
117.06951	1.5
118.04977	1.5
118.38517	1.3
119.08543	1.3
121.06579	1.7
121.10114	2.4
127.10490	1.3
128.07072	2.3
132.06546	40.5
160.06012	4.1
210.22150	1.9
248.23627	3.0
250.25175	3.2
254.24666	2.5
261.22128	4.5
266.24716	2.9
278.24768	6.1
296.25830	13.2
306.24133	6.2
314.26831	64.4
324.25287	37.7
324.28268	0.9
342.26343	100.0
343.26761	3.0
360.27344	8.4
360.34683	1.6
364.17691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0914
Annotation	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.53692	0.3
55.05501	0.4
69.03407	0.5
69.52246	3.5
69.52573	0.7
77.62415	0.4
79.05458	0.5
81.03425	0.5
81.07027	1.2
83.04977	0.7
85.06561	0.4
93.07035	0.5
95.04910	0.4
95.08585	0.4
98.20722	0.8
105.06986	0.4
107.04955	0.6
107.08602	0.7
111.08087	0.4
114.13516	0.4
117.07002	0.5
119.08560	0.6
121.02871	0.4
121.10143	0.4
131.08507	0.4
135.11644	0.4
137.02324	0.8
142.07663	0.4
145.06473	1.1
150.03058	0.4
151.03845	0.7
151.09772	0.4
153.01791	0.6
165.01823	0.7
167.03412	1.6
169.06525	0.4
170.07162	0.4
173.05945	0.9
183.04463	0.4
184.05141	0.5
197.06015	0.8
201.05443	3.4
202.05872	0.4
203.03391	0.5
212.04691	1.1
213.05461	0.7
213.10243	0.4
217.04884	0.4
225.05379	0.5
226.06248	0.7
229.04904	4.5
231.03116	0.4
233.04408	1.6
240.04134	1.3
241.04932	1.3
243.06479	1.0
245.04471	0.5
245.12711	0.5
247.05937	1.0
254.05690	0.8
255.06540	1.0
255.11314	0.5
257.04425	10.9
258.04895	0.6
260.03232	0.9
269.04495	1.2
271.06128	0.7
272.06793	0.8
273.04111	0.6
274.04752	0.5
275.05481	2.2
282.05133	0.8
283.06055	0.7
285.03876	5.9
286.04410	0.5
288.02661	0.6
297.03952	0.7
297.07388	0.3
299.05368	0.6
300.06244	30.0
301.03442	0.5
301.06699	1.1
302.04178	1.3
303.04999	3.4
311.05423	0.5
313.03342	1.3
314.04193	0.5
315.05035	3.1
315.12436	0.5
316.02060	1.3
316.05710	1.0
317.06516	2.6
318.06958	0.5
327.05038	2.5
328.05731	8.0
329.06512	3.5
329.10928	0.7
330.03625	0.4
331.04446	19.5
332.05057	2.7
333.13293	0.6
345.06027	7.3
346.06754	9.5
347.07248	0.7
361.09128	100.0
362.09341	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	361.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91904	1.4
53.03928	4.3
55.01859	2.4
55.05503	21.3
57.03426	9.7
57.07056	2.2
59.05005	2.5
65.03922	2.2
67.05495	22.3
68.99765	2.0
69.03417	75.7
69.07044	3.0
71.01331	4.7
71.04984	13.6
73.02887	3.1
73.96837	1.7
79.05474	11.4
81.03418	8.9
81.07031	4.8
83.04965	100.0
85.02891	33.2
85.06535	3.5
85.10925	1.4
86.27314	1.7
86.50114	1.5
87.00806	7.3
87.04446	3.7
91.05470	6.0
93.07014	3.5
94.62153	1.7
95.01344	2.1
95.04956	41.1
95.08551	2.3
97.02876	3.7
97.06509	6.7
99.03854	3.0
99.04439	24.8
100.11226	2.3
101.06021	2.1
105.03385	17.1
105.07008	5.0
107.04931	1.9
107.08561	5.7
109.02849	4.6
109.06496	7.5
109.10150	5.2
111.04427	58.5
113.05981	41.2
113.06729	3.1
117.05412	2.3
119.08552	2.6
121.06477	6.3
123.04395	5.5
123.08042	2.5
125.05981	3.6
127.03899	7.4
129.05475	4.7
133.06522	1.5
133.10147	2.4
135.04385	3.7
137.05965	1.7
137.09621	5.7
139.03882	2.4
141.05412	4.4
143.08543	2.3
145.10097	2.2
151.07501	2.2
153.05431	13.6
156.13716	1.9
157.04924	32.3
157.50163	1.9
159.06555	3.5
159.07982	2.8
161.05943	6.6
161.09618	9.6
165.09113	4.9
167.07056	2.0
167.08522	2.2
171.06444	2.1
173.04466	1.7
175.06029	2.6
179.06976	2.8
183.06450	2.0
185.09589	2.0
195.06439	1.9
199.79942	1.7
203.05463	5.2
239.09111	7.8
239.12721	2.0
249.11148	1.9
253.12280	2.3
257.10220	3.2
271.13284	5.9
281.11667	1.9
299.12646	5.8
315.12140	2.2
317.13806	34.4
321.28702	1.8
343.10162	4.4
361.11359	5.1
361.16177	2.3
362.15771	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	361.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79141	2.0
53.03919	3.2
55.01856	4.3
55.05499	17.9
57.03429	11.8
59.04960	2.7
65.03901	4.5
67.05499	18.6
69.03418	69.8
69.28717	2.2
70.45756	8.1
71.01321	4.0
71.04974	16.2
73.02873	2.5
79.05471	10.3
81.03380	9.0
81.07024	4.7
83.04967	92.2
85.02882	28.1
85.06532	2.8
87.00807	8.0
91.05454	4.0
93.06984	5.9
95.04952	40.3
95.08595	2.6
96.05469	1.7
97.02871	3.0
97.06492	6.5
99.04439	22.3
101.06004	2.5
101.55471	2.0
105.01871	2.6
105.07001	6.7
107.04922	3.7
107.08536	6.8
109.02831	4.8
109.06467	7.0
111.04417	59.7
113.05244	2.0
113.05987	42.3
117.07009	2.3
119.08556	3.4
121.06464	5.4
123.04355	2.9
123.08008	3.9
125.05973	4.2
127.03835	5.2
129.05402	6.8
131.08539	3.7
135.04280	3.8
137.05927	3.4
139.03871	4.0
141.05434	5.0
143.08482	3.0
147.08014	3.4
149.06059	2.5
149.80525	2.1
151.07486	4.5
153.01817	9.3
153.05417	15.5
157.04935	33.2
159.06534	3.3
161.05939	8.2
161.09578	9.3
164.04655	5.4
165.05441	2.4
167.07199	2.4
171.06493	3.6
174.17221	2.4
175.06006	3.7
175.07483	2.3
192.04024	3.2
193.55029	2.5
203.05476	6.9
208.26997	2.1
225.12613	2.4
225.84874	2.3
239.09099	8.3
257.04413	5.7
257.10141	3.6
271.05966	2.4
271.13214	6.3
275.05548	4.5
299.12607	3.8
300.02597	13.1
301.03259	4.3
302.03915	3.0
303.05035	5.8
315.05045	3.5
315.12183	3.8
317.13791	43.2
331.04358	9.1
343.09976	3.1
345.05966	5.4
346.06775	50.9
347.07065	2.5
361.09076	100.0
362.09338	4.5
362.15961	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	361.1272
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
52.57208	0.4
53.03910	0.8
55.05480	0.6
57.32760	0.4
60.65520	0.4
67.05467	1.9
69.03413	0.6
69.82410	1.1
69.82830	2.0
72.91963	0.5
79.05451	2.3
81.03397	1.4
81.07029	2.1
83.04952	1.4
83.24059	0.4
91.05465	4.9
93.07015	1.8
95.04921	0.8
97.06478	1.1
99.04430	1.6
104.45126	0.4
105.07011	4.0
107.04903	0.6
109.02837	2.2
109.06495	1.0
111.04411	3.8
117.06985	4.0
119.08552	4.3
123.04362	0.5
125.05950	1.2
128.06184	1.3
129.06937	2.2
131.08531	4.2
133.10114	6.1
135.04358	0.6
137.02301	4.4
137.05901	0.9
139.03848	2.1
141.06989	2.2
143.08536	6.6
145.06468	0.9
145.10083	1.0
147.08000	0.6
149.05914	1.2
149.93195	0.4
153.05464	0.6
153.06956	1.0
155.08510	3.0
157.10069	1.2
159.08015	10.7
161.09590	15.4
163.03818	0.7
163.07452	0.5
165.06950	2.0
166.07739	2.3
167.08525	3.3
168.09322	1.6
169.06494	0.6
169.10037	1.3
171.08000	1.1
172.08781	1.1
173.05901	0.6
175.07626	0.4
177.05379	0.5
177.09062	1.7
178.07779	0.6
179.08484	3.2
180.09258	0.9
181.10068	4.5
182.10722	0.6
183.08040	0.9
183.11650	1.5
185.09576	0.8
190.07716	1.4
191.08601	0.8
192.09344	2.0
195.11667	3.4
197.09470	0.7
197.13359	1.0
199.07451	0.7
199.11122	1.0
203.10622	0.5
205.08492	3.2
205.10103	8.6
207.08022	0.4
207.11655	5.6
208.08817	0.7
208.12009	0.5
209.09566	1.8
209.13168	0.8
211.07478	0.6
211.11066	1.0
213.12689	0.9
223.11116	5.2
225.12685	1.4
227.10605	8.0
229.12166	1.2
233.09528	2.2
235.11162	0.7
241.12154	3.3
243.13847	0.4
251.10609	9.3
253.12170	4.7
255.10057	2.3
269.11685	7.6
271.13211	1.5
273.11142	2.0
297.11139	1.7
303.04959	0.6
315.12195	100.0
316.12573	3.0
333.13245	8.5
361.12735	33.0
362.13031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1278
Annotation	Pyranochromene
Peak:m/z	Relative Intensity
55.01864	1.1
55.05493	1.3
56.96536	0.4
57.03430	0.6
57.07074	0.4
57.42020	0.4
63.47372	0.5
67.05485	1.3
68.27098	0.4
69.03429	2.4
69.07040	0.9
71.04963	0.6
71.68352	0.7
74.06033	0.4
79.05488	2.6
81.03413	2.7
81.07054	2.3
83.04953	1.0
85.02886	0.9
86.09712	0.5
91.05463	8.6
93.07039	1.5
95.01316	69.0
95.04935	2.8
95.08595	1.1
96.01617	1.1
97.02914	0.6
105.07017	6.6
107.04943	0.9
107.08572	1.7
109.06504	0.7
109.10126	1.4
111.04421	3.0
115.05447	1.3
117.07020	4.8
119.08569	2.4
120.08054	0.5
121.02804	0.6
121.06493	0.7
121.10133	1.0
123.04419	1.6
123.11663	0.7
127.11123	0.5
128.06210	1.4
129.06967	2.4
131.04881	0.5
131.08545	25.9
132.08914	0.5
133.06468	1.3
133.10123	4.3
135.04385	0.8
137.05984	0.6
141.06972	6.9
142.07761	1.4
143.08530	4.8
144.05692	2.3
145.06430	1.0
145.10114	2.7
147.04384	0.5
147.08049	1.0
147.11656	1.1
149.05966	1.3
149.09613	0.9
152.07031	0.8
153.05486	0.6
153.06978	0.6
155.08549	4.3
157.06485	0.6
157.10092	3.6
159.08031	100.0
160.08382	2.7
161.05954	1.5
161.09579	4.7
163.07584	0.4
163.11063	0.4
165.05530	1.0
165.07002	1.5
166.07668	0.6
167.08568	1.0
169.06416	1.8
169.07686	0.7
169.10097	0.7
171.07954	0.6
172.53244	0.5
173.09613	6.5
175.07510	0.6
175.11180	2.1
177.09085	10.2
177.10591	0.8
179.08540	0.9
180.09291	0.8
180.88481	0.5
181.10080	1.2
183.07991	3.9
185.09567	2.3
187.07507	3.2
190.07707	0.6
192.09360	0.6
193.10066	0.7
194.07196	0.6
195.08044	0.9
195.11656	1.9
197.09587	0.5
199.11102	0.6
201.09094	7.4
203.08798	0.6
203.10658	2.0
205.08568	6.6
205.10201	1.7
207.11617	0.7
208.08835	1.0
209.09621	1.8
211.11195	0.5
213.12692	0.6
219.10107	0.9
223.11162	4.3
227.10637	0.6
229.08537	2.0
233.09592	3.0
241.12036	2.2
247.09607	5.1
251.10634	7.5
253.12253	1.1
257.12851	0.8
269.11667	8.8
271.13248	0.7
279.10217	1.0
297.11203	6.7
298.11444	0.5
301.11627	0.7
315.12210	73.7
316.12628	3.5
317.13882	1.6
325.22159	0.5
331.04562	0.5
333.13281	83.0
334.13562	3.5
343.11725	10.5
344.12131	0.6
361.09067	1.0
361.13290	0.9
361.23746	0.7
362.16129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01862	1.6
67.05488	4.2
69.03425	2.0
69.07049	2.4
69.34521	5.7
69.34937	1.9
69.39980	0.7
78.30422	0.6
79.05479	18.8
81.02948	0.9
81.03403	13.1
81.07043	1.5
82.08049	0.7
83.04962	0.7
91.05455	7.5
93.07034	6.2
95.04959	10.1
95.08601	1.5
97.06519	0.7
98.21395	1.4
99.10851	0.6
103.05485	0.8
105.07003	7.4
106.07352	0.8
107.04951	1.2
107.08567	14.0
108.08871	0.9
109.06518	1.3
117.07007	2.7
119.08551	3.5
120.08916	0.6
121.02848	3.4
121.06496	9.8
121.10122	1.1
128.06218	0.9
129.06984	2.6
131.04887	1.0
131.08527	4.2
133.06458	1.7
133.10103	7.4
137.06018	0.8
141.06937	1.6
143.08537	6.8
145.06494	3.0
145.10054	3.2
147.04396	1.2
147.08057	1.5
149.05957	3.5
151.07529	1.1
154.07779	0.8
155.08566	1.1
157.06459	1.4
157.10104	4.5
159.08046	5.5
159.09273	0.9
159.11678	1.3
161.05960	21.5
161.09598	30.7
162.09923	0.8
165.07007	1.4
167.07266	1.0
167.08516	5.0
169.06438	1.0
169.10091	2.4
171.08014	2.0
171.11691	1.3
173.09602	1.2
175.07530	1.2
177.09143	1.4
179.08476	0.8
181.10103	1.9
182.10765	0.8
183.08040	2.2
183.11659	1.3
185.09604	6.9
187.07536	1.3
192.09256	1.1
193.10088	1.5
195.08044	1.8
197.09612	1.3
197.13185	1.3
199.11209	0.8
200.12750	1.0
203.10641	1.8
205.08510	1.3
207.11664	4.0
209.09586	1.5
211.11099	3.3
217.10202	0.8
220.08760	0.7
225.12688	6.5
227.10672	0.8
227.14281	1.2
231.10133	1.7
235.11131	7.2
236.36433	0.7
237.09055	1.4
237.12718	3.8
239.10545	0.7
249.11230	6.8
253.12248	7.6
255.13795	2.7
257.11740	0.8
271.13260	18.1
272.13654	0.9
281.11758	6.3
295.11511	0.8
299.12738	27.0
300.13034	1.1
303.73560	0.7
303.82050	0.6
317.13785	100.0
318.14090	6.1
345.13272	21.3
346.13712	1.1
362.15927	25.9
363.16083	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	362.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
65.75422	0.7
67.05489	2.0
69.03431	1.0
69.07058	1.2
79.00539	0.7
79.05480	12.2
81.03405	9.1
91.05476	4.4
93.07008	2.9
95.04956	6.2
98.20663	1.7
104.39953	0.7
105.07005	3.5
107.08575	9.5
114.94054	0.7
117.07018	1.3
119.08530	1.9
121.02839	2.3
121.06463	5.1
129.07033	1.6
131.08531	2.2
133.06450	1.2
133.10092	3.4
141.06996	1.1
142.07738	0.8
143.08563	3.7
145.06450	2.8
145.10124	2.2
147.04324	0.8
149.05957	2.5
151.07553	0.7
155.08511	1.3
157.10057	3.3
159.08070	4.0
159.09154	0.8
159.11691	1.0
161.05962	13.8
161.09598	19.1
167.08530	3.7
169.10114	1.4
171.08015	1.8
177.09135	1.2
181.10086	1.2
182.10936	0.8
183.08063	0.9
183.11722	1.1
185.09615	5.4
187.11223	0.8
195.08080	1.2
197.09593	0.9
203.10611	1.5
205.08585	1.3
207.11559	1.4
209.09700	1.0
209.13104	0.7
211.11214	2.3
213.09238	0.7
217.10188	1.0
220.08676	0.9
225.12642	5.8
227.14288	0.9
231.10130	1.1
235.11058	4.8
237.08975	0.8
237.12692	3.8
249.11195	5.9
253.12222	6.3
255.13724	1.5
271.13235	12.0
281.11722	6.0
299.12695	16.0
299.15817	1.3
300.12866	1.0
308.08270	0.7
317.13788	100.0
318.14124	5.0
345.13168	1.2
362.15967	20.1
363.16351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41373	0.9
67.05484	2.9
69.03395	1.4
69.07066	2.1
70.05688	5.9
79.05481	16.8
81.03413	11.3
91.05473	6.0
93.07018	4.2
95.04971	7.7
97.06502	1.6
99.27468	1.0
99.74895	0.9
105.07011	5.2
107.08581	11.5
117.06995	2.2
119.08553	4.6
121.02821	5.4
121.06490	6.2
129.06947	1.5
131.08537	3.8
133.06464	1.7
133.10143	6.5
141.06947	1.3
143.08575	5.1
143.09488	1.0
145.06442	3.4
145.10069	3.1
147.04425	1.1
147.08023	1.4
149.05928	2.4
155.08546	1.8
157.10098	4.2
159.08041	5.7
161.05972	16.8
161.09601	26.6
164.93985	0.9
167.08572	4.8
167.16719	0.9
169.10118	2.1
171.07986	2.4
177.09094	1.9
183.08057	1.0
183.11678	1.6
185.09576	5.9
195.08052	1.8
197.09642	1.3
197.13222	2.0
207.11707	2.4
209.13069	1.8
211.11098	2.4
220.08856	1.2
225.12698	6.1
231.10085	1.2
235.11148	6.8
237.12785	2.7
249.11252	3.0
253.12201	7.3
255.13765	1.1
271.13300	14.8
272.13547	1.1
281.11731	5.6
289.33768	1.0
299.12762	20.8
317.13800	100.0
318.14102	4.5
362.15936	44.3
363.16327	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	363.122
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16413	0.5
66.81120	0.5
67.05466	0.8
70.05529	0.5
70.76079	0.5
70.76424	1.8
74.45068	0.6
79.05411	1.7
81.03379	0.8
83.02704	0.5
91.05429	1.1
93.06989	0.9
95.00436	0.5
95.04897	1.0
102.03992	0.5
105.06979	0.8
107.08511	1.1
119.08502	0.9
121.06432	0.7
130.09393	0.5
136.57338	0.5
161.05882	1.5
161.09497	1.5
162.06253	1.1
162.09862	1.3
189.07022	0.7
202.07724	1.0
203.08485	1.7
204.09250	1.1
212.11441	0.6
215.08463	1.8
218.07204	0.7
226.13023	0.6
227.08354	0.6
231.08070	3.8
232.08807	5.8
234.06721	0.8
242.07253	1.0
243.08043	1.8
244.08626	1.1
245.05968	4.2
247.07593	0.7
254.12453	0.9
256.08841	1.0
257.09515	1.8
259.07504	23.9
260.08286	42.4
261.08762	3.3
266.05679	0.8
270.06705	1.6
271.07416	1.9
272.08255	1.1
272.13654	1.4
272.59091	0.6
273.05389	7.5
273.08926	1.9
274.06161	0.6
275.10654	3.9
277.08511	0.8
282.12155	0.6
284.08258	1.9
285.09027	1.8
285.42160	0.6
286.06070	0.8
287.06979	16.5
288.07755	54.7
289.08148	5.3
299.06876	0.7
300.13104	1.9
301.08536	2.1
302.09387	3.4
303.10101	100.0
304.10403	7.5
305.07986	1.1
313.08505	1.3
315.06555	1.8
316.07312	3.2
317.13855	1.3
318.14160	10.1
321.11197	4.1
329.08026	2.3
330.08942	2.4
331.09592	68.9
332.09937	6.3
333.07416	1.1
348.09854	14.1
349.10217	1.0
363.12216	29.6
363.16144	2.7
364.12415	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	363.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01855	1.0
55.05505	2.2
64.34828	0.7
65.03931	1.0
67.05490	7.7
69.07048	2.6
71.14828	1.6
79.05479	3.7
81.07051	2.5
83.04977	5.6
83.67465	1.0
84.20289	0.8
91.05457	7.6
93.07021	3.7
95.04945	2.4
95.08588	1.0
96.08098	0.9
99.04433	3.2
105.07015	8.0
111.04422	12.0
113.05976	3.1
115.05453	1.8
117.06999	5.2
119.08550	2.3
121.06524	1.8
125.05905	1.2
128.06198	2.0
129.06984	3.3
131.08548	9.3
133.06496	1.5
133.10100	3.0
137.05966	2.3
139.03871	13.4
139.07471	4.7
141.06960	4.2
142.07770	11.3
143.08562	12.1
145.06485	3.7
145.10075	4.5
147.08008	1.5
152.07057	1.6
153.06995	1.4
154.07730	0.9
155.08549	5.2
157.10092	4.9
159.08028	19.7
159.11705	1.5
160.08821	9.9
161.09602	17.6
165.06963	2.9
166.07639	2.1
167.08553	14.0
168.09279	1.0
169.06468	1.1
169.10098	6.5
171.08066	2.6
171.11656	1.9
173.09631	1.0
177.09090	1.6
179.08490	5.0
180.09297	1.5
181.10074	8.4
182.10709	1.8
183.08046	1.3
183.11697	2.0
185.09593	8.0
185.13217	1.0
187.11142	4.3
189.09106	2.2
192.09323	4.2
193.10152	1.4
194.08141	1.9
194.10913	3.8
197.09602	2.9
197.13202	2.7
198.10141	1.3
199.11159	4.4
199.14835	1.1
201.09084	0.9
205.08577	2.3
206.09422	2.0
207.08098	1.1
207.11681	7.4
209.09808	0.9
209.13202	7.2
210.10225	0.9
212.74675	0.8
213.09143	0.9
213.12657	1.3
220.08858	1.2
220.37041	1.0
225.09087	3.4
225.12662	7.9
227.14207	1.5
229.12227	1.6
231.10133	13.7
234.66048	0.9
235.11160	9.8
243.10274	1.2
243.13673	4.5
253.12201	22.5
254.12628	1.3
255.13776	2.1
263.10641	1.5
269.11728	1.1
271.13245	35.4
272.13565	0.9
281.11740	2.4
289.14243	0.9
299.12708	5.7
317.13791	100.0
318.14075	5.4
330.16690	1.0
335.14819	29.8
336.15372	1.4
363.07269	2.1
363.14340	15.1
381.15399	1.5
389.65179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1431
Annotation	Gibberellin A26
Peak:m/z	Relative Intensity
53.03923	0.5
55.01853	0.6
55.05494	1.9
62.13869	0.3
65.03889	0.4
67.05488	3.3
69.03396	1.1
69.07050	0.8
69.48569	3.4
79.05471	1.4
81.03400	0.7
81.07036	1.2
83.04937	1.1
91.05476	2.9
92.23381	0.4
93.07012	1.5
95.04933	1.1
95.08565	1.0
97.02892	0.4
99.04441	0.7
105.07014	2.7
106.74957	0.3
107.04926	0.4
109.40475	0.3
111.04424	0.6
113.05975	1.1
115.05465	0.4
117.06998	3.0
117.19685	0.4
119.08556	1.5
121.06513	0.8
121.10072	0.5
124.06483	0.3
127.07584	0.7
128.06168	1.3
129.07013	1.8
131.04889	1.3
131.08536	3.1
133.06497	0.4
133.10091	1.6
135.08029	0.7
139.03891	1.0
139.07529	0.5
141.05405	1.5
141.06970	2.2
141.09038	0.3
142.07739	1.2
143.08527	7.3
145.06494	2.2
145.10092	3.0
152.07060	0.5
154.07730	1.3
155.08493	1.0
157.10114	5.4
159.08022	3.1
159.11665	3.1
160.08759	1.1
161.09627	2.6
165.05394	0.4
165.06938	0.6
167.07188	0.6
167.08540	7.4
168.09021	0.3
169.10110	11.1
170.10599	0.4
173.09520	0.4
179.07013	0.5
179.08499	0.8
181.10069	1.7
183.08051	0.5
183.11621	1.3
185.09593	6.8
185.13129	0.6
186.10329	0.4
187.11151	19.0
188.11395	0.6
194.08118	0.5
195.11665	0.5
197.09537	0.5
197.13176	0.9
199.11229	0.8
203.10640	0.9
204.06575	0.7
207.11659	1.2
209.13130	1.0
211.11234	0.7
212.09044	0.6
213.09074	1.7
213.12628	0.8
225.09085	0.8
225.12720	1.2
227.14235	0.7
229.12254	2.1
231.10121	47.9
232.10480	1.5
235.11115	1.1
243.13707	1.7
253.12233	3.9
255.13821	0.5
257.11612	0.5
259.13095	0.4
271.13220	6.2
273.14725	0.6
281.11743	0.5
282.64734	0.4
299.12714	0.9
317.13779	100.0
318.14066	5.8
335.14844	17.0
336.15186	0.8
363.14304	18.2
364.14636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1434
Annotation	Gibberellin A21
Peak:m/z	Relative Intensity
53.03934	4.6
55.01852	5.5
55.05500	2.3
56.09529	1.4
57.02666	1.3
59.79144	1.5
65.03903	2.6
67.05498	10.2
69.03407	6.4
69.56394	6.4
69.56823	6.0
79.05474	20.0
81.03408	47.2
81.07027	6.4
91.05469	19.1
92.90671	1.5
93.03384	5.1
93.07021	11.8
95.01308	4.7
95.04956	28.8
95.08597	4.0
103.05490	2.4
105.07010	20.7
106.07339	1.6
107.04942	6.5
107.08599	9.4
109.06511	2.1
109.10172	2.0
113.85830	1.6
115.05434	5.5
117.07008	13.3
119.04925	5.0
119.08574	5.4
121.02855	20.1
121.06487	17.2
123.04411	2.4
123.08051	2.2
126.75755	1.4
128.06216	19.4
129.07005	12.7
131.04907	5.3
131.08549	25.2
133.06438	5.7
133.10141	5.9
135.04349	2.1
135.08011	2.9
136.06215	2.2
137.05980	3.9
141.06978	11.9
142.07727	4.2
143.08546	67.6
144.05684	1.7
144.08885	2.0
145.06473	10.1
145.10103	15.0
147.04361	2.5
147.08020	3.9
149.05966	9.3
151.07533	3.8
153.06998	3.1
154.07732	4.5
155.06033	2.0
155.08539	9.3
157.10159	8.3
159.08040	32.3
159.11678	2.2
161.05966	10.2
161.09579	23.7
163.03911	1.8
163.11150	8.1
165.05621	2.1
165.07001	6.1
166.07658	3.2
167.07112	3.2
167.08522	17.8
168.09319	4.9
169.06485	5.7
169.10098	15.2
170.07201	2.8
171.08032	7.8
171.11664	3.1
173.05963	2.6
173.09581	3.3
175.07541	2.7
177.09119	5.8
178.07794	7.1
179.08490	11.2
180.09306	1.9
181.06516	3.6
181.10085	12.4
183.07941	8.0
183.11656	6.6
185.09573	8.8
187.07501	13.5
187.11263	2.3
189.09062	4.4
191.08498	4.2
192.09303	13.3
193.04878	3.6
193.10109	10.6
194.10902	3.8
195.08017	7.6
195.11687	1.9
196.08838	3.9
197.09547	6.6
197.13327	2.0
199.07408	3.1
199.11189	6.6
202.07726	6.2
203.08577	3.0
203.10645	5.5
204.09343	6.1
205.08533	7.2
205.10272	1.7
207.08105	3.5
207.10051	3.2
207.11717	12.7
209.09564	4.4
209.13235	6.5
211.11140	15.5
213.09105	5.5
217.10210	8.0
217.85208	1.8
219.07986	2.2
219.11687	6.6
220.08820	7.4
221.09648	1.8
225.12778	10.1
229.12166	1.6
231.10117	3.8
233.08029	2.5
235.11157	30.2
236.11523	2.9
237.09001	2.3
237.12711	25.9
239.10724	2.3
245.09576	1.7
245.11749	2.4
253.12224	22.7
254.12756	1.8
255.13821	4.1
257.11679	5.8
263.10626	8.8
265.12042	2.0
271.13232	16.2
281.11688	35.9
282.11966	2.0
283.13235	5.0
299.12744	100.0
300.13062	6.6
309.11237	10.5
317.13791	78.6
318.14124	8.9
327.12204	11.7
345.13278	15.7
363.14209	3.6
363.25516	1.8
380.85892	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1435
Annotation	Gibberellin A21
Peak:m/z	Relative Intensity
51.02363	0.9
53.03930	2.1
55.01871	4.8
55.05499	1.6
65.03919	1.7
67.05495	8.4
69.03417	4.6
69.07043	3.4
69.48568	7.7
71.04945	1.0
78.57284	0.9
79.05026	1.7
79.05483	30.6
80.05819	1.0
81.02943	1.8
81.03409	33.3
81.07038	5.5
83.04939	1.9
91.05470	24.2
93.03382	3.3
93.07038	16.4
95.01321	2.7
95.04956	20.6
95.08584	3.5
97.06496	1.7
98.20732	2.1
103.05443	2.7
105.03342	0.8
105.07020	25.9
105.62260	0.8
106.07362	1.0
107.04948	4.1
107.08578	24.1
109.06485	3.1
109.10165	1.3
111.04430	0.9
115.05440	3.8
115.54832	0.8
117.07009	10.5
119.04898	1.7
119.08561	9.9
121.02856	12.5
121.06488	23.6
123.04436	1.1
128.06195	16.0
128.07068	1.4
129.06969	7.2
130.07751	3.6
131.04895	2.9
131.08560	11.6
131.51968	0.8
133.06470	4.8
133.10114	15.1
135.08051	2.6
137.05927	2.1
141.06973	6.5
142.07774	2.0
143.08545	67.7
144.08882	2.4
145.06471	22.1
145.10104	22.3
147.04352	2.0
147.08034	3.9
149.05971	7.7
151.07516	2.2
153.06973	2.7
154.07811	1.6
155.08549	7.7
157.06451	2.8
157.10110	6.4
159.04286	0.9
159.06868	1.4
159.08035	11.2
159.11690	3.0
161.05960	30.9
161.09599	54.0
162.06293	1.6
162.10013	2.0
163.07527	1.1
163.11174	17.1
165.06972	5.3
166.07721	1.1
167.08528	7.4
168.09296	2.1
169.06439	2.2
169.10135	7.7
171.08057	6.6
171.11658	1.9
173.06107	1.4
173.09581	3.7
175.07527	2.0
177.09068	3.2
178.07802	2.0
179.08536	4.3
180.09254	1.7
181.06459	2.3
181.10101	7.1
182.07167	1.5
182.10818	1.5
183.08041	4.3
183.11690	4.0
185.09627	7.1
187.07500	9.1
187.11162	1.4
189.09065	3.3
192.09302	4.3
193.10124	4.3
194.10780	2.6
195.08029	4.3
195.11613	1.8
196.08771	1.9
197.09581	2.1
197.13200	3.5
199.07483	2.3
199.11131	2.4
202.07759	2.1
203.08641	1.7
203.10638	2.0
204.09286	1.5
205.08536	5.4
207.08249	1.3
207.10066	1.5
207.11703	7.8
209.09587	3.5
209.13257	4.7
211.07632	1.6
211.11131	14.2
213.09045	2.5
213.12672	1.9
215.07056	1.0
215.10594	1.1
217.08426	2.3
217.10179	3.0
219.11690	3.5
220.08722	4.1
221.09557	2.1
222.10420	2.0
223.07640	1.1
225.12730	9.4
227.10693	1.2
227.14305	2.1
229.12242	0.9
231.10059	1.3
233.08003	4.5
235.11169	15.4
237.12698	12.3
239.14305	1.5
249.10936	1.8
253.12209	12.7
255.13739	3.7
257.08426	0.8
257.11615	4.3
263.10596	1.5
265.12149	1.1
271.13272	21.3
272.13544	2.2
281.11700	17.8
282.11993	1.6
283.13242	2.7
299.12756	43.7
300.13126	3.3
301.14517	1.2
309.11172	3.3
317.13794	100.0
318.14124	8.4
327.12201	6.0
345.13342	7.6
363.14236	16.1
363.25992	2.0
376.27188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	2.2
56.96555	24.2
57.03421	1.6
61.02919	3.4
69.03411	3.5
70.97755	4.4
70.98116	2.9
71.95258	2.2
82.99856	1.4
84.96017	2.9
85.02880	3.3
88.99154	2.9
97.02851	1.9
98.97567	41.0
101.00250	1.8
101.00812	6.4
102.96896	1.8
103.02416	2.1
108.99876	1.3
110.97557	5.9
112.99078	2.9
115.02401	9.1
116.97782	1.6
116.98599	26.2
119.01906	21.7
121.01630	1.7
121.03498	1.5
122.01353	1.3
124.95425	6.4
127.03822	1.4
128.98570	16.0
129.03862	3.0
131.00224	2.2
131.01894	10.1
132.97839	1.3
133.03444	63.4
134.03636	1.8
134.99631	9.9
137.01859	2.4
137.02904	3.2
141.03920	3.1
142.96507	11.0
143.00150	2.1
143.01880	9.8
143.51895	1.5
145.03453	10.3
146.99623	18.8
147.01361	1.8
147.05016	8.5
149.01154	2.8
149.02954	2.5
151.04507	10.4
155.01880	2.5
157.03490	7.6
158.99661	2.5
159.05025	36.1
160.97580	8.2
161.01280	3.2
161.02954	13.1
162.99126	2.4
163.02621	1.3
165.00700	11.2
167.01871	1.5
170.96002	6.0
170.99646	5.4
171.01424	2.7
171.05067	6.2
173.02936	12.2
173.53146	1.5
174.99149	8.3
175.04526	4.5
177.00665	4.7
177.06058	19.1
182.03477	2.2
183.01787	2.6
183.04951	1.6
184.97505	9.0
185.02893	11.5
185.04248	19.0
185.06619	2.7
187.04556	2.4
188.97054	17.5
189.00702	14.9
189.02301	2.7
190.98621	2.7
193.00180	12.4
195.01353	2.7
195.07089	18.5
197.02925	7.4
199.04520	2.6
201.00758	2.1
201.02498	1.5
202.98636	15.9
203.05289	45.7
205.05579	5.4
206.98079	14.6
207.01695	14.6
207.03423	2.1
209.08661	3.6
212.97093	3.3
213.02423	5.4
215.04015	4.1
217.00175	5.9
219.01709	3.4
219.07114	44.1
220.99586	7.1
221.03139	2.0
223.01016	2.3
223.04562	2.5
224.04527	2.6
225.02728	2.4
226.00302	1.4
227.04048	3.1
229.05583	2.4
230.98083	26.1
231.03496	1.6
235.01141	7.8
237.02806	5.4
241.05577	2.6
242.98003	2.5
244.99750	6.1
245.05038	32.0
247.01221	2.5
247.06636	8.3
248.99109	8.6
249.02847	2.4
249.08206	4.0
255.03951	1.9
257.05142	1.6
259.06592	4.0
260.99179	4.7
263.00699	18.7
263.06061	4.0
271.06485	3.2
273.04584	5.8
275.00748	3.3
275.05988	10.6
277.02408	1.7
277.07782	1.9
289.07669	20.8
289.11081	2.1
293.01816	2.2
303.05219	1.6
303.12796	1.6
305.01709	1.6
305.07050	3.7
317.07098	22.2
333.01181	3.1
333.06653	34.9
347.08194	1.9
351.02243	1.7
351.07550	1.8
365.10501	100.0
366.10925	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	365.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	2.2
56.96555	24.2
57.03421	1.6
61.02919	3.4
69.03411	3.5
70.97755	4.4
70.98116	2.9
71.95258	2.2
82.99856	1.4
84.96017	2.9
85.02880	3.3
88.99154	2.9
97.02851	1.9
98.97567	41.0
101.00250	1.8
101.00812	6.4
102.96896	1.8
103.02416	2.1
108.99876	1.3
110.97557	5.9
112.99078	2.9
115.02401	9.1
116.97782	1.6
116.98599	26.2
119.01906	21.7
121.01630	1.7
121.03498	1.5
122.01353	1.3
124.95425	6.4
127.03822	1.4
128.98570	16.0
129.03862	3.0
131.00224	2.2
131.01894	10.1
132.97839	1.3
133.03444	63.4
134.03636	1.8
134.99631	9.9
137.01859	2.4
137.02904	3.2
141.03920	3.1
142.96507	11.0
143.00150	2.1
143.01880	9.8
143.51895	1.5
145.03453	10.3
146.99623	18.8
147.01361	1.8
147.05016	8.5
149.01154	2.8
149.02954	2.5
151.04507	10.4
155.01880	2.5
157.03490	7.6
158.99661	2.5
159.05025	36.1
160.97580	8.2
161.01280	3.2
161.02954	13.1
162.99126	2.4
163.02621	1.3
165.00700	11.2
167.01871	1.5
170.96002	6.0
170.99646	5.4
171.01424	2.7
171.05067	6.2
173.02936	12.2
173.53146	1.5
174.99149	8.3
175.04526	4.5
177.00665	4.7
177.06058	19.1
182.03477	2.2
183.01787	2.6
183.04951	1.6
184.97505	9.0
185.02893	11.5
185.04248	19.0
185.06619	2.7
187.04556	2.4
188.97054	17.5
189.00702	14.9
189.02301	2.7
190.98621	2.7
193.00180	12.4
195.01353	2.7
195.07089	18.5
197.02925	7.4
199.04520	2.6
201.00758	2.1
201.02498	1.5
202.98636	15.9
203.05289	45.7
205.05579	5.4
206.98079	14.6
207.01695	14.6
207.03423	2.1
209.08661	3.6
212.97093	3.3
213.02423	5.4
215.04015	4.1
217.00175	5.9
219.01709	3.4
219.07114	44.1
220.99586	7.1
221.03139	2.0
223.01016	2.3
223.04562	2.5
224.04527	2.6
225.02728	2.4
226.00302	1.4
227.04048	3.1
229.05583	2.4
230.98083	26.1
231.03496	1.6
235.01141	7.8
237.02806	5.4
241.05577	2.6
242.98003	2.5
244.99750	6.1
245.05038	32.0
247.01221	2.5
247.06636	8.3
248.99109	8.6
249.02847	2.4
249.08206	4.0
255.03951	1.9
257.05142	1.6
259.06592	4.0
260.99179	4.7
263.00699	18.7
263.06061	4.0
271.06485	3.2
273.04584	5.8
275.00748	3.3
275.05988	10.6
277.02408	1.7
277.07782	1.9
289.07669	20.8
289.11081	2.1
293.01816	2.2
303.05219	1.6
303.12796	1.6
305.01709	1.6
305.07050	3.7
317.07098	22.2
333.01181	3.1
333.06653	34.9
347.08194	1.9
351.02243	1.7
351.07550	1.8
365.10501	100.0
366.10925	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	365.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	2.5
60.31342	0.7
69.82355	5.1
82.99857	1.0
85.02840	1.0
98.97565	2.7
101.00868	4.6
105.53052	0.7
109.02886	0.8
110.97543	0.8
113.00850	0.9
116.98607	1.3
119.01914	16.2
128.98589	1.2
131.01878	7.1
131.51886	0.7
133.03444	1.8
135.66911	0.7
136.97473	0.7
137.01866	2.2
137.02963	2.2
143.01892	7.0
145.03416	5.0
147.05003	0.9
155.01884	5.4
157.03426	4.7
158.99623	1.4
159.04984	1.6
160.97485	0.8
161.02943	12.4
163.04477	1.3
167.01878	1.6
169.03433	2.0
171.05003	1.2
173.02942	11.6
173.90010	0.7
174.99226	0.8
175.04541	1.3
185.02898	13.7
185.04242	19.8
187.04515	1.7
193.00105	1.1
197.02933	6.7
203.05292	55.6
204.05614	1.0
215.03970	3.2
220.99698	1.2
224.04442	1.4
227.03998	2.4
230.98109	1.6
244.99664	1.0
245.05038	30.5
257.04984	1.9
263.00705	2.1
263.06067	6.1
275.06168	1.6
293.07040	0.9
317.07285	1.0
358.29678	0.7
365.10526	100.0
366.10977	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	365.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74506	0.7
55.01847	1.2
59.16257	0.7
69.83538	5.4
70.02916	0.7
73.98411	0.7
75.65772	0.7
92.29402	0.7
95.04939	1.0
98.21389	0.7
120.04408	1.3
122.06027	3.6
123.04388	0.9
124.03904	1.2
134.05902	0.9
135.13417	0.7
136.05431	0.8
138.05457	2.8
140.07011	1.3
144.08080	1.0
147.09091	0.9
148.03897	3.0
148.07529	5.8
155.47281	0.7
158.05954	1.1
160.07520	0.9
161.07164	0.9
164.07027	0.9
166.04973	6.4
168.06511	2.2
171.09157	2.2
172.07501	3.4
172.09836	0.8
174.09094	2.7
175.07292	0.8
175.08638	8.6
176.07034	9.2
176.09375	1.4
178.08603	1.4
182.06035	0.9
182.08051	0.7
184.07507	1.0
185.07132	1.4
186.05499	1.1
186.09129	1.3
189.06543	1.4
189.10254	4.8
189.11600	0.9
190.08554	2.3
196.07523	2.7
198.07620	1.8
198.09140	2.1
199.08653	8.3
200.07033	5.5
200.09155	1.4
202.08592	3.2
203.08122	20.6
204.06535	1.3
204.08638	0.9
207.11325	1.5
213.10217	7.0
214.08669	3.6
215.11722	0.8
216.10172	2.1
217.06233	1.7
217.09782	19.4
218.08018	2.4
223.08569	1.1
224.06934	1.9
227.08139	18.8
228.06485	3.2
228.08765	2.0
229.09656	3.0
230.08028	1.1
231.07527	1.1
231.11252	1.6
235.10716	4.4
241.09717	10.5
242.08081	5.4
243.11127	0.8
245.09187	54.2
246.07446	1.8
246.09575	2.3
247.10780	2.5
250.07106	1.4
255.07521	1.0
259.10745	11.7
260.08945	1.1
263.10226	30.8
264.10638	0.8
269.09207	5.6
270.07538	2.2
271.10760	1.7
272.09201	1.0
273.08755	4.3
277.11600	1.4
287.10214	24.4
289.11755	1.8
291.09705	6.7
297.08646	0.9
304.25626	0.7
305.11267	100.0
306.11588	5.3
309.10458	0.8
315.09747	2.6
323.08572	1.7
323.12302	25.9
324.12625	1.1
333.10724	16.1
347.12305	2.8
365.13376	99.3
366.13663	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08700	4.8
95.04961	1.2
98.06073	1.4
98.21444	1.3
120.04443	1.2
122.06020	2.2
125.10500	1.0
138.05489	2.8
140.07019	1.6
140.39525	1.0
144.08087	1.7
148.03868	2.5
148.07527	5.9
160.07619	1.0
166.04964	4.4
168.06557	2.7
170.09575	1.1
171.09151	2.7
172.07535	3.9
174.09155	2.4
175.08669	6.3
176.07076	11.5
176.09338	1.3
185.10730	1.9
186.05397	1.4
189.10222	4.6
190.08627	3.5
192.75925	1.1
194.04446	1.3
194.08086	1.8
196.07564	1.6
198.07623	1.5
198.09213	1.6
199.08640	7.8
200.07036	5.1
202.08772	1.9
203.08136	20.1
204.06622	1.6
207.11346	1.1
213.10191	6.7
214.08679	2.6
215.11778	1.3
217.06113	2.0
217.09734	17.2
218.08145	2.3
219.11200	1.8
222.07611	1.1
223.08534	1.2
224.07172	1.6
227.08167	17.7
228.06459	3.1
228.08595	1.6
229.09669	1.4
231.07687	1.6
231.11340	1.3
235.10773	4.4
241.09697	10.0
242.08086	4.7
243.11295	1.7
245.09195	52.1
246.07460	2.3
246.09676	2.3
247.10680	3.5
249.08876	1.2
250.07089	1.6
251.97572	1.1
259.10767	10.1
263.10248	31.9
264.10526	1.7
269.09207	3.9
270.07492	1.6
271.10754	2.3
272.09106	1.8
273.08633	4.9
277.11789	2.1
287.10217	23.6
288.10727	1.8
289.11914	2.4
291.09738	9.3
305.11276	94.0
306.11609	3.2
315.09647	3.5
323.12323	35.1
324.12802	1.3
333.10754	22.0
334.11057	1.4
365.13394	100.0
366.13589	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	365.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	3.2
58.49364	3.0
60.04526	3.1
61.01138	29.8
65.61139	2.4
67.05475	4.6
70.69728	10.3
72.04506	21.1
73.02885	3.0
75.28962	2.8
78.03784	16.7
81.03385	3.1
85.06519	3.0
86.06047	7.1
87.00803	20.3
88.02202	6.1
91.05497	3.6
98.02386	3.5
99.05553	10.5
102.03767	22.8
103.02146	38.0
114.03740	14.2
114.05511	65.9
120.04781	49.7
123.04402	5.5
129.00049	4.6
132.04727	15.3
139.03835	5.8
142.08601	8.7
145.06274	2.7
146.02689	14.5
147.01093	23.7
149.07404	41.9
159.05850	13.3
162.05542	2.5
163.03874	7.9
164.03751	12.0
174.05835	7.5
175.05338	7.0
184.09731	5.4
186.11275	3.0
191.06857	5.4
191.08464	58.8
217.06435	7.0
218.04630	4.1
229.03108	3.1
235.07449	100.0
261.12656	4.1
303.13617	36.0
327.63086	2.8
341.50766	3.0
347.12650	22.5
365.27158	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48981	3.8
55.01856	11.9
55.05497	27.3
56.96546	6.5
57.03431	37.8
67.05495	59.6
69.03407	13.5
69.07053	59.2
69.57828	24.0
69.58258	13.0
70.06551	4.9
71.04985	6.1
77.18101	3.9
79.05487	45.8
79.24376	4.4
81.03400	7.6
81.07044	52.1
81.18517	4.2
83.08598	11.4
85.02894	5.8
85.06520	22.6
91.05451	26.4
93.07027	33.0
95.04962	40.5
95.08591	25.5
97.02905	11.5
97.06523	8.5
97.10139	14.6
105.07021	28.3
107.04911	14.9
107.08567	32.3
109.06512	35.8
109.10132	12.2
111.08048	4.8
113.05990	63.3
115.00023	3.9
115.05371	4.6
115.27228	3.9
117.06997	15.9
119.08577	19.7
121.06492	8.7
121.10120	10.6
123.08018	11.6
125.09601	9.8
127.03987	4.4
127.07462	5.2
129.06976	5.6
131.08539	19.2
133.10097	13.7
135.08011	25.6
135.11685	8.1
137.09589	7.2
143.08557	7.4
145.10092	12.1
147.08011	7.9
147.11705	7.4
149.09613	6.3
157.10115	6.8
159.11697	13.8
161.09628	9.9
171.11609	6.7
175.11118	4.5
177.05434	10.0
189.11215	8.2
217.15823	14.6
223.13246	11.9
273.18454	29.5
285.10104	9.8
291.19516	100.0
349.15628	4.3
365.23172	32.4
365.31610	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	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48981	3.8
55.01856	11.9
55.05497	27.3
56.96546	6.5
57.03431	37.8
67.05495	59.6
69.03407	13.5
69.07053	59.2
69.57828	24.0
69.58258	13.0
70.06551	4.9
71.04985	6.1
77.18101	3.9
79.05487	45.8
79.24376	4.4
81.03400	7.6
81.07044	52.1
81.18517	4.2
83.08598	11.4
85.02894	5.8
85.06520	22.6
91.05451	26.4
93.07027	33.0
95.04962	40.5
95.08591	25.5
97.02905	11.5
97.06523	8.5
97.10139	14.6
105.07021	28.3
107.04911	14.9
107.08567	32.3
109.06512	35.8
109.10132	12.2
111.08048	4.8
113.05990	63.3
115.00023	3.9
115.05371	4.6
115.27228	3.9
117.06997	15.9
119.08577	19.7
121.06492	8.7
121.10120	10.6
123.08018	11.6
125.09601	9.8
127.03987	4.4
127.07462	5.2
129.06976	5.6
131.08539	19.2
133.10097	13.7
135.08011	25.6
135.11685	8.1
137.09589	7.2
143.08557	7.4
145.10092	12.1
147.08011	7.9
147.11705	7.4
149.09613	6.3
157.10115	6.8
159.11697	13.8
161.09628	9.9
171.11609	6.7
175.11118	4.5
177.05434	10.0
189.11215	8.2
217.15823	14.6
223.13246	11.9
273.18454	29.5
285.10104	9.8
291.19516	100.0
349.15628	4.3
365.23172	32.4
365.31610	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21275	0.7
53.03924	2.1
55.01870	6.4
55.05505	26.6
56.96550	1.9
57.03431	9.3
57.07061	1.0
65.03929	1.8
67.05138	1.4
67.05497	31.5
69.03421	14.5
69.07059	43.3
70.88902	1.9
71.04971	2.7
79.05480	27.3
81.03400	6.3
81.07042	25.2
83.04974	5.0
83.08605	10.0
85.02920	1.8
85.06530	1.8
86.00761	0.7
91.05474	14.1
93.07029	22.9
95.04951	11.0
95.08596	11.4
97.02879	15.8
97.06512	4.1
97.10157	17.8
99.04424	1.1
99.08073	0.9
102.32200	0.8
103.05488	0.8
105.07002	11.5
107.04946	7.4
107.08575	16.1
109.02875	1.5
109.06501	3.0
109.10143	10.1
111.08053	2.1
115.05408	2.0
117.06985	7.6
119.04951	1.0
119.08569	11.2
121.06489	3.9
121.10126	5.5
123.08026	5.1
125.09617	13.5
128.06215	0.8
129.06982	3.3
131.08577	7.0
133.06471	2.7
133.10109	5.7
135.08028	5.8
135.11658	2.7
137.09590	6.8
143.08522	4.2
145.06482	0.9
145.10075	6.0
147.08040	4.8
147.11667	3.2
149.09576	3.2
149.13219	2.4
151.11157	1.5
153.09055	1.4
157.10106	3.1
159.08015	1.3
159.11671	3.5
159.50114	0.8
161.09601	3.2
161.13228	1.4
162.10339	1.2
163.11182	1.9
165.09093	2.2
169.10139	1.0
171.10274	0.9
171.11676	2.0
173.11792	1.0
175.11169	2.5
177.12700	2.3
179.10616	1.3
185.13223	1.3
189.11212	7.0
189.12691	1.5
195.13715	2.2
205.12238	2.7
213.12689	0.9
223.13246	33.5
227.12827	1.5
227.17957	1.3
227.81537	0.8
237.16187	1.3
245.18929	2.3
255.17358	1.0
258.05121	1.0
263.20041	1.8
267.09064	2.4
269.10489	1.2
273.18442	13.9
285.10019	5.9
286.10406	1.2
291.19498	100.0
292.19858	3.3
303.10858	0.9
305.11642	1.4
333.11136	0.9
337.14169	1.3
347.22232	1.7
350.11722	0.8
365.10049	1.0
365.13873	1.3
365.23163	36.6
365.32736	1.6
366.23657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.1
55.01855	9.4
55.05501	32.4
57.03429	14.2
59.04992	3.2
67.05497	41.2
69.03408	9.6
69.07052	60.8
69.58047	18.8
70.06561	2.7
71.04971	6.3
79.05491	35.9
81.03392	10.3
81.07044	34.5
83.04953	6.2
83.08607	12.9
85.02871	3.0
91.05453	23.7
91.74844	2.3
93.07030	28.3
95.04955	11.8
95.08600	18.6
96.99085	2.3
97.02856	13.7
97.06521	6.5
97.10154	20.8
98.21123	8.8
105.06998	16.6
107.04940	9.7
107.08579	20.2
109.06487	8.3
109.10125	13.0
111.08064	3.2
115.05418	3.1
117.06999	9.9
119.08570	17.3
121.06487	5.3
121.10097	6.9
123.08058	6.0
123.11713	2.5
125.09612	13.8
129.06947	4.0
131.08527	8.2
133.10089	8.6
135.07980	6.1
135.11668	4.0
137.09634	2.3
142.71072	2.4
143.08571	5.0
145.10132	6.0
147.08032	8.0
147.11684	3.7
149.09578	5.1
149.13222	5.8
151.11201	3.2
153.09035	2.8
157.10115	4.1
159.11658	6.6
161.09619	3.5
165.09103	4.3
172.05635	2.4
175.11011	2.7
179.84879	2.2
185.13083	2.7
189.11177	10.2
195.13869	2.3
223.13246	24.9
245.18810	2.4
255.17377	4.0
263.20074	3.5
273.18460	23.0
291.19501	100.0
365.23135	37.9
365.33298	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58982	0.8
53.03926	2.4
55.01863	7.2
55.05497	8.5
57.03425	46.4
57.07048	3.2
65.03921	3.0
67.05493	46.1
69.03420	2.7
69.07053	5.8
71.04977	5.5
71.69520	1.5
72.93765	0.9
79.05019	1.4
79.05479	25.5
81.03388	3.6
81.07043	24.8
83.04974	4.2
83.08588	3.6
84.50645	0.9
85.02878	1.3
85.06525	37.4
91.05463	22.9
93.06439	1.0
93.07028	23.0
95.04949	50.7
95.08594	13.3
97.06498	5.6
97.10127	2.0
99.04424	1.3
99.08076	0.9
103.05444	1.2
105.07011	18.2
107.04942	10.5
107.08572	17.4
109.02806	0.9
109.06500	46.7
109.10107	5.6
111.04496	1.0
111.08059	2.0
113.05984	100.0
115.05408	1.8
116.06254	1.4
117.07000	11.0
119.04885	1.2
119.08555	12.9
121.06501	6.2
121.10150	6.8
123.04368	1.0
123.08051	4.3
123.11680	1.4
125.09682	0.9
128.06161	2.6
129.06949	6.3
131.08536	16.3
133.06432	3.2
133.10101	8.7
135.08028	32.8
135.09064	1.7
135.11639	5.0
137.09569	2.3
139.07388	0.9
141.06932	1.4
142.07724	1.0
143.08537	6.1
145.06442	1.1
145.10069	9.5
147.08066	4.8
147.11655	3.1
149.09613	5.5
149.13234	3.5
151.11137	1.1
155.08524	1.5
157.10121	7.7
159.08028	2.4
159.11693	4.8
161.09589	8.6
161.13252	1.6
163.11183	3.2
165.09126	1.0
169.10126	1.4
171.11642	4.7
173.09642	1.6
173.13222	3.9
175.11130	3.5
177.09021	0.8
177.12692	3.7
181.10109	1.7
183.11673	2.1
185.09589	1.0
185.13226	2.1
189.12712	2.1
191.14294	1.4
193.12163	1.1
195.13943	0.9
199.11121	2.4
199.14810	2.6
201.12703	1.2
209.13173	1.4
211.13103	1.3
217.15829	14.2
227.17850	2.7
229.15726	0.9
233.15303	2.0
237.16296	1.5
245.18980	3.7
255.17398	3.0
263.20099	1.0
273.18442	24.8
283.06271	2.4
285.10013	1.2
291.19492	29.1
292.19711	0.9
347.21939	2.4
365.10156	2.3
365.23199	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69188	0.9
53.03927	3.2
55.01873	5.0
55.05503	27.2
57.03426	11.9
57.07064	1.0
58.28358	0.9
59.04985	1.9
65.03928	1.7
67.05140	2.1
67.05492	34.0
69.03415	10.8
69.06691	2.1
69.07056	42.2
71.04965	2.3
71.69420	1.3
72.58922	0.9
76.00065	1.0
79.05481	27.6
81.03385	6.8
81.07046	25.2
81.07528	1.2
83.04975	5.2
83.08611	10.5
85.06547	1.2
91.05463	17.9
93.07028	19.5
95.04949	7.8
95.08591	15.9
97.02873	17.4
97.06501	2.3
97.10149	17.9
101.05972	0.9
105.07001	12.3
107.04924	8.7
107.08566	13.9
109.02840	1.5
109.06487	3.0
109.10147	12.8
111.04388	1.1
111.08096	2.0
113.05974	1.2
115.05479	1.8
117.06992	8.7
119.08581	10.8
121.02828	2.1
121.06474	3.5
121.10105	6.5
123.04404	1.0
123.08040	3.7
124.26585	1.0
125.09612	14.0
129.06981	3.1
131.08534	6.0
133.06464	3.2
133.10109	5.7
135.08029	4.2
135.11673	3.1
137.05986	1.0
137.09592	2.4
143.08537	3.6
145.10059	5.2
147.07988	5.6
147.11638	2.8
149.09596	1.5
149.13205	1.7
151.11151	1.3
153.09059	1.3
157.10098	2.9
159.11647	4.0
161.09575	3.4
163.11172	2.5
165.09044	1.8
171.10245	1.5
171.11665	1.4
173.11696	1.5
175.11143	2.9
177.12700	2.2
185.13318	1.0
189.11185	8.1
189.12663	1.5
193.12230	1.7
195.13710	2.1
205.12148	2.6
223.13257	31.2
223.15340	2.0
227.12778	1.4
227.18065	1.1
249.14783	1.1
255.17444	1.9
263.20111	1.1
273.18448	12.0
291.19492	100.0
292.19916	1.5
301.97910	1.0
330.90546	1.1
365.10214	1.2
365.23184	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97857	1.5
53.03936	3.8
53.54006	1.4
55.01860	12.6
55.05495	11.0
57.03425	47.6
57.07057	3.8
65.03913	3.6
67.05144	3.1
67.05492	52.9
69.03399	4.1
69.07050	6.7
71.01320	1.8
71.04975	7.6
71.69156	1.8
79.05475	28.1
81.03396	5.0
81.07043	26.0
83.04958	4.8
83.08602	4.4
83.31524	1.4
85.02887	3.3
85.06525	38.3
91.04916	2.3
91.05460	28.7
93.07023	24.0
95.04951	62.8
95.08581	14.8
97.02868	2.7
97.06517	5.3
97.10146	2.0
99.04425	1.5
101.05994	1.7
105.07007	19.8
107.04943	13.1
107.08566	17.2
109.02830	1.5
109.06500	58.9
109.10143	7.0
111.04456	3.3
113.05985	100.0
115.05461	1.6
117.07007	11.2
119.08548	11.9
121.06474	8.6
121.10146	7.8
123.08062	5.6
123.11757	1.9
127.03831	1.5
128.06131	1.5
129.07008	8.2
131.08546	15.5
133.06474	2.6
133.10094	9.9
135.08028	40.7
135.11671	6.7
143.08513	10.8
145.06416	2.8
145.10104	11.5
147.08026	6.6
147.11676	4.1
149.09647	7.0
149.13190	1.9
150.33342	1.8
155.08572	3.1
157.10077	8.8
159.08002	2.1
159.11682	8.2
161.09592	9.7
161.13155	1.6
162.09885	1.8
163.11131	3.5
165.06982	3.9
165.09109	2.5
166.07843	2.2
167.08609	1.8
169.10127	3.1
171.11678	5.1
173.09515	1.7
173.13219	4.7
175.11119	4.9
177.12703	5.3
179.08466	2.9
181.06451	3.1
181.10101	1.6
183.11650	2.0
185.09586	3.1
189.08934	1.5
189.12747	2.1
191.08516	2.0
194.07204	2.2
195.08032	4.9
195.11742	2.0
196.08810	4.2
199.14778	4.7
201.12625	2.0
203.05226	1.6
207.08116	1.9
207.11516	1.8
208.08879	2.7
209.09543	2.9
211.07492	3.0
212.08263	5.4
213.09007	1.8
215.08560	2.1
217.10126	2.0
217.15816	16.1
219.08098	2.1
221.09521	2.4
223.07404	1.8
224.08244	3.5
225.09019	3.8
227.10625	15.5
227.17769	2.5
231.08104	3.6
232.08757	3.0
233.09560	6.0
234.10382	2.8
235.07544	2.2
236.08369	1.8
237.09062	3.8
237.12663	3.9
237.16281	2.9
240.07855	3.1
241.08527	19.3
245.09555	5.2
245.18813	2.7
247.07370	3.3
247.11195	3.6
248.08279	1.9
248.12073	1.9
249.09073	2.7
250.09869	5.5
251.10570	4.4
253.08630	1.9
255.10126	16.9
255.17496	3.7
256.08423	1.3
256.10907	37.4
257.11353	3.6
259.10913	1.9
260.11981	2.0
261.09085	6.1
262.09830	4.4
263.07037	2.6
263.10675	5.3
264.11429	4.1
265.08508	6.3
265.12262	2.8
266.09360	2.7
267.10217	19.2
267.13293	2.5
269.11871	5.1
273.09036	4.5
273.18457	36.7
274.09827	2.8
275.10574	3.2
276.11301	4.1
277.09067	2.1
277.12042	7.1
278.09335	8.2
279.10208	7.7
280.10849	4.5
281.11612	2.3
283.09589	4.9
285.09976	3.0
287.10614	5.2
288.11319	4.8
289.08530	6.0
289.11609	1.7
290.09207	3.6
291.10117	4.4
291.13910	3.1
291.19485	41.9
292.10962	2.5
292.19809	2.2
293.11658	21.0
294.12347	4.8
295.09961	2.6
295.13278	6.9
301.08508	1.7
303.10098	4.2
304.10944	7.0
305.11658	13.5
306.12326	2.7
307.09933	3.2
307.13202	4.8
315.10294	1.9
317.08066	1.7
319.09772	2.9
319.13257	13.0
320.14090	1.8
321.11227	8.1
322.11862	4.7
323.12738	3.6
332.10406	4.9
333.11139	6.7
334.11893	3.3
337.14264	5.3
347.12683	22.0
347.22165	3.6
348.13031	2.8
350.11359	8.5
365.13797	93.8
365.23215	17.9
365.27747	3.4
366.14111	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	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23756	1.3
53.03930	3.1
55.01865	7.5
55.05501	25.6
56.96563	2.3
57.03432	12.8
58.64983	1.3
58.96027	1.2
59.04985	1.6
61.02910	1.4
65.03902	1.2
66.11628	1.3
67.05495	34.3
69.03418	13.1
69.07059	40.7
71.04980	2.7
71.70364	2.5
79.05485	27.2
81.03419	7.5
81.07047	24.5
83.04964	5.6
83.08610	12.0
85.02879	2.2
85.06547	1.3
91.05466	18.2
93.07032	22.7
95.04955	10.3
95.08069	1.7
95.08602	13.1
97.02876	16.9
97.06507	5.6
97.10164	16.9
97.22369	1.3
105.07022	15.3
107.04936	7.1
107.08576	17.5
109.06480	4.7
109.10157	12.5
111.08031	3.7
113.05950	1.7
116.98584	1.4
117.07018	10.3
119.04825	1.6
119.08568	14.1
121.06491	4.1
121.10121	7.2
123.08038	3.6
125.09620	10.2
128.06174	1.5
129.05482	1.3
129.07004	4.7
131.08560	8.2
133.06473	2.5
133.10159	8.7
135.08038	5.9
135.11638	4.5
137.09579	4.3
142.07726	1.5
143.08539	3.7
145.10077	8.1
147.08054	7.1
147.11661	3.3
149.09587	2.4
149.13187	2.7
153.09055	1.5
157.10103	2.3
159.08025	1.9
159.11653	5.1
161.09595	4.3
161.13210	1.3
163.11148	1.7
165.09003	2.2
171.10207	1.6
173.11723	1.6
175.11253	2.3
177.12703	2.8
180.51389	1.2
189.11154	6.4
195.11719	1.4
195.13797	2.6
203.05257	2.0
205.12222	3.3
223.13258	29.4
227.12654	2.3
227.17888	1.5
231.08885	1.4
245.19096	2.8
255.17470	3.2
263.19922	2.6
267.08917	3.5
269.10553	3.7
273.18469	21.1
285.10001	3.9
287.11542	2.0
291.19507	100.0
292.19925	3.5
299.10907	1.3
340.15182	1.9
351.07776	1.3
365.23187	61.2
366.23386	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	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53005	2.4
53.03930	5.7
55.01868	14.6
55.05501	38.2
55.67887	2.4
56.45395	2.0
57.03431	20.3
57.64571	2.0
59.05018	2.3
65.03938	2.7
67.05490	59.4
67.09864	2.3
69.03419	13.6
69.07053	45.7
71.04968	4.3
71.69385	2.1
79.05475	57.4
81.03400	11.7
81.07040	55.6
83.04953	15.6
83.08600	13.7
85.06551	2.8
91.05465	42.5
93.07033	43.9
95.04941	21.4
95.08585	25.4
95.19138	2.2
97.02885	18.1
97.06524	5.7
97.10157	18.4
105.07011	39.6
107.04922	17.8
107.07905	4.0
107.08572	37.1
109.06481	12.0
109.10133	25.9
111.04430	2.5
111.08051	4.7
113.05978	6.6
117.06992	10.7
119.08549	22.0
121.06486	9.9
121.10113	12.6
123.08060	7.7
123.11668	4.3
125.09616	11.2
129.06996	7.3
131.08542	24.8
133.06480	10.2
133.10104	32.0
135.08023	15.8
135.11662	7.7
137.09612	7.1
143.08519	8.4
145.06430	2.7
145.10071	8.8
147.08020	6.6
147.11658	7.1
149.09602	16.0
151.11162	14.5
153.09067	3.3
155.10654	2.8
157.10083	5.2
159.07982	5.5
159.11682	6.5
161.09572	10.1
162.60115	2.5
163.11201	2.8
169.10184	3.6
171.11639	4.8
174.85626	2.7
175.11145	4.3
177.09132	6.1
179.10718	2.7
189.11182	6.5
198.89148	2.2
199.14920	2.3
203.05330	2.6
223.13243	24.3
224.13658	2.3
227.17920	5.6
245.18990	7.0
253.14467	5.9
263.20062	6.3
273.18454	36.4
291.19485	100.0
292.19821	2.6
347.22247	5.6
365.10675	5.6
365.23145	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30522	5.1
54.80282	4.9
54.87163	5.6
55.01863	5.6
55.05486	19.1
56.87366	5.3
57.03403	9.4
57.07058	9.9
57.11121	4.5
57.22019	5.2
59.05003	4.5
67.05493	34.6
69.03426	9.4
69.07050	27.9
69.53333	17.7
69.53764	32.4
79.05484	41.6
81.07042	39.1
87.72409	4.8
91.05457	47.1
93.07018	43.6
95.04948	32.4
95.08601	28.7
97.02874	8.7
97.06509	7.3
97.10114	7.5
105.07011	60.2
107.08584	39.4
109.06506	12.2
109.10139	23.3
110.67873	4.6
115.05457	7.6
117.07002	17.8
119.08559	47.6
121.10115	39.0
123.08041	8.1
125.09573	5.2
129.06993	7.9
131.08527	39.4
133.10080	21.3
135.08051	12.6
135.11670	7.4
142.07730	13.3
143.08508	39.5
144.09283	7.8
145.10080	34.5
147.08047	9.8
147.11647	10.6
149.09653	7.6
149.13223	10.0
155.08476	17.2
156.09311	6.9
157.10144	31.3
159.08066	7.4
159.11639	19.4
161.09610	12.9
161.13284	7.2
167.08623	6.1
168.09254	6.9
169.10196	24.7
171.11644	26.3
173.13245	37.8
175.11249	10.3
179.08556	14.9
181.10039	15.2
182.10866	7.6
183.11664	22.0
185.13219	12.1
187.11206	7.8
191.14270	24.7
193.10051	14.3
194.10883	7.8
195.11639	24.3
196.12416	7.1
197.13226	18.7
199.11096	8.4
201.12746	13.5
202.63173	5.3
206.10878	7.7
207.11655	20.4
208.12344	8.2
209.13147	21.7
211.14795	7.9
219.11664	12.1
220.12314	5.8
221.13145	8.9
223.14845	14.7
235.11176	6.8
235.14703	9.2
247.14751	8.3
249.16461	7.6
251.14474	5.8
255.39319	5.1
263.17862	13.2
267.17426	6.1
281.18921	10.0
291.19492	20.3
347.23682	32.5
365.24701	100.0
366.24963	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	366.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01863	7.7
56.05019	5.4
56.96548	2.2
57.03432	2.7
57.10864	2.3
58.06585	3.6
59.88065	2.1
60.04504	5.1
65.03931	5.5
67.05485	7.3
68.99774	6.1
69.03410	9.1
70.06561	6.0
71.01353	3.1
71.04983	2.1
71.69778	3.5
72.04486	4.3
72.08144	12.3
74.06067	3.1
77.03960	2.6
79.05466	5.3
81.03400	10.5
82.06570	3.0
83.04977	5.7
84.04490	18.7
84.08138	3.0
85.02866	3.3
86.06066	3.0
86.09692	3.9
91.05465	11.9
93.03369	4.0
93.06999	3.3
94.06504	5.2
95.04967	12.2
96.04467	2.7
96.08138	3.6
97.02883	5.2
97.06578	2.9
98.06070	3.6
99.04404	2.5
100.03958	7.9
102.05520	5.7
103.05453	5.0
105.07014	3.7
106.06512	3.1
107.04924	7.2
109.02864	6.6
109.62457	2.5
110.06044	4.5
111.00806	3.5
111.04430	11.0
115.05509	3.6
118.06503	6.6
119.04932	16.1
120.08099	12.1
121.02863	4.1
121.06448	3.9
122.06010	10.6
123.04414	95.8
124.03918	10.2
124.04715	3.8
124.07575	6.2
125.02357	5.3
125.06004	3.1
125.09290	2.3
126.05498	7.7
127.03900	6.2
128.05087	3.4
130.06516	5.9
131.04893	5.8
133.02859	6.3
134.05997	8.7
134.58597	2.2
135.04404	8.6
135.14728	2.4
136.07556	8.9
137.02307	8.4
137.05936	4.8
138.05467	12.8
139.03882	100.0
140.07031	6.1
141.05441	2.7
146.05991	8.4
147.04413	24.0
148.07553	5.8
149.02267	10.8
149.05952	5.1
150.05479	6.8
151.03871	16.0
152.07045	16.8
153.01848	2.6
153.05435	5.7
154.04990	5.0
155.03371	34.3
160.07471	4.8
161.06027	3.5
161.12791	5.0
162.05486	8.3
163.03891	32.3
163.06184	3.7
164.07028	16.7
165.05447	6.6
166.08626	4.6
167.03349	5.9
168.06537	17.2
169.06531	2.9
172.07500	2.6
173.05965	4.8
174.05333	2.8
175.03922	18.5
175.06113	2.7
176.07054	15.9
177.05431	6.9
178.05022	11.7
179.03384	11.6
180.06532	47.0
181.04985	11.7
182.08200	3.1
185.05956	2.5
186.07629	2.7
187.03911	2.7
188.07069	2.5
189.05363	5.9
192.06451	11.3
193.04942	5.2
194.08159	5.9
196.06029	10.2
197.05995	3.7
199.03789	2.9
201.05431	4.3
203.03267	2.8
204.06592	16.5
204.08272	3.4
205.04919	2.8
207.06522	19.9
208.06053	3.3
210.07605	6.4
213.05432	5.2
214.07092	7.4
215.07123	4.0
222.07651	2.7
229.04938	5.0
231.06505	3.7
241.04980	6.4
259.06088	2.7
264.12256	3.0
267.06485	2.4
284.09088	5.6
285.07251	2.9
287.05469	6.4
290.10031	2.8
302.10178	7.0
304.11734	2.7
305.06528	3.0
306.09439	3.3
312.08691	6.9
312.14365	3.1
321.16818	4.8
330.09625	16.5
330.15671	5.8
331.08075	4.3
335.12103	2.9
348.10693	33.6
366.11758	44.6
366.15991	3.2
367.09415	6.7
367.18576	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
55.01867	7.1
55.05508	2.1
57.03430	7.0
61.02911	6.7
68.99786	2.8
69.03424	35.1
70.88092	2.9
70.88424	2.0
71.04977	6.1
73.02914	4.5
76.75005	1.5
81.03408	23.5
81.07023	2.0
82.57449	1.5
85.02896	100.0
85.21811	1.2
87.00822	37.6
91.03886	1.8
93.07015	1.4
97.02883	34.6
99.04459	13.6
105.01859	73.0
108.04451	3.1
109.02863	26.7
109.03566	1.0
111.08092	2.9
113.09630	1.4
115.03880	2.5
117.01842	2.8
123.04427	2.0
123.08092	1.6
126.05461	2.1
127.03906	78.6
127.07489	1.7
129.01907	2.3
139.07553	2.5
141.09036	1.6
143.55742	1.5
145.04953	40.5
147.02888	4.0
151.07527	1.4
159.02882	16.3
177.03923	2.1
189.03954	4.1
209.11661	3.5
213.03897	3.3
230.06593	1.4
231.04970	24.1
249.06123	5.0
249.10062	1.6
269.13699	2.0
274.72174	1.9
279.53622	1.6
295.11765	5.2
339.13437	2.2
367.12744	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	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01855	3.4
55.05495	3.2
55.49075	1.3
56.00097	1.2
57.03415	4.5
57.07050	3.2
59.04991	12.2
60.04527	1.4
61.02925	6.2
65.03902	1.2
67.05498	11.9
69.03423	19.0
69.07063	10.5
70.06577	1.8
70.93564	1.5
70.93893	2.5
71.04621	1.7
71.04986	28.3
72.08115	1.6
73.02889	2.0
73.06532	1.2
79.05483	11.7
81.03397	4.9
81.07047	70.9
83.04961	6.9
83.08604	2.8
83.45631	1.2
84.04479	1.4
84.08115	1.7
85.02898	41.6
85.06526	6.4
86.09692	1.3
87.04440	7.6
88.26187	1.3
91.03931	2.9
91.05463	8.3
92.17693	1.3
93.07045	7.6
95.04942	6.2
95.08582	4.3
97.02885	13.1
97.06525	18.9
97.10197	1.6
98.06002	1.2
98.97578	1.7
99.04447	2.9
99.07513	1.2
99.08081	6.6
105.07024	3.2
107.08573	19.5
108.04471	2.4
109.02850	4.0
109.06499	8.7
109.10140	33.2
110.10471	1.4
111.08066	5.3
111.11684	6.0
113.02339	1.8
113.05961	1.8
115.82597	1.3
117.05791	1.3
118.06532	9.1
121.10125	4.9
122.02357	4.9
122.06044	1.6
123.02673	1.9
123.04415	6.1
123.08058	2.3
123.11692	34.0
124.03873	1.2
124.07537	1.4
127.03913	8.3
127.11203	6.7
130.06514	25.0
131.06892	2.0
133.10144	6.6
136.07510	4.1
137.05968	1.6
139.03868	14.7
139.11151	14.3
144.08073	19.3
145.04941	9.7
147.04337	2.4
151.03900	1.6
151.11171	54.0
154.06413	2.1
155.03453	2.8
155.07214	1.7
156.08070	2.7
157.07611	2.1
157.12221	20.2
158.05945	2.3
163.03865	2.6
164.07062	2.5
166.04987	2.2
168.06563	2.6
168.08022	1.7
169.12221	100.0
172.07547	15.9
176.07054	5.9
180.06595	2.7
180.08353	2.1
182.04466	3.2
183.04875	3.3
184.07533	2.6
186.05481	1.4
187.13271	53.7
190.08603	12.3
190.12213	1.3
196.05977	4.4
196.07605	2.2
197.06325	4.4
198.05382	1.6
204.06618	4.3
212.06935	2.4
224.07124	1.3
242.08023	1.7
260.09183	2.4
272.09219	2.3
296.17923	1.3
330.09598	2.5
334.11014	3.5
348.10791	3.1
366.11642	4.3
366.21082	1.8
382.15161	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
56.96555	76.8
57.03423	4.0
61.02926	4.0
62.96187	1.4
67.77922	1.3
69.03422	5.4
69.98816	8.4
69.99116	2.2
70.06577	3.2
70.98106	2.0
71.04994	1.5
73.02898	2.3
74.97619	3.1
81.03391	2.4
83.04940	1.7
84.08160	2.2
84.96037	7.4
85.02885	9.4
87.00822	1.7
87.04447	1.6
93.83148	1.4
97.02872	6.5
98.97566	60.7
100.99123	21.3
110.07180	1.7
110.97554	17.0
112.99107	22.8
116.98598	34.5
119.00167	11.0
127.00661	3.7
127.03875	3.8
127.26826	1.5
128.98582	27.3
131.00148	40.2
131.01784	2.1
133.01709	4.1
133.03467	6.2
134.99646	12.7
135.03218	2.6
137.01140	2.3
143.00188	5.3
144.98143	1.7
145.01709	23.4
146.99637	16.6
147.03233	2.0
149.01198	26.6
152.98561	2.0
158.99643	9.2
159.05008	2.9
161.01262	7.8
161.05528	4.6
162.99242	2.6
163.02751	68.8
163.03857	4.6
165.00693	4.1
167.02292	2.7
170.06178	2.6
170.99608	6.6
172.94337	2.0
173.01270	3.0
175.02776	6.0
177.00681	12.2
177.06108	1.9
178.04846	1.9
179.02232	2.0
181.03804	39.6
183.04985	3.1
185.01237	1.4
186.04366	2.9
187.02792	8.7
189.00723	6.5
190.95361	2.3
191.02310	4.2
193.03818	7.6
195.01668	2.2
195.07129	2.4
196.04898	1.7
201.00769	3.4
205.03787	18.1
209.03120	2.1
211.04781	6.9
217.03867	4.1
219.01718	32.0
219.05232	3.0
223.04941	2.6
227.03909	2.3
232.96449	2.4
234.06485	2.5
235.01115	1.9
235.04974	3.2
237.02776	79.8
238.03300	1.6
241.03917	2.0
245.03142	1.8
247.04811	8.2
248.05356	3.2
251.04405	2.3
253.02328	2.6
253.05803	2.2
255.03856	5.3
255.06969	3.2
260.04456	1.8
263.04379	2.8
264.07571	3.4
265.05869	1.9
269.05493	1.8
273.04599	2.7
281.05283	2.3
286.07153	2.1
289.95895	1.7
295.07001	2.4
305.07281	2.1
307.06982	91.2
307.10480	6.2
307.95041	1.6
321.10266	3.4
325.08008	100.0
326.08173	2.6
348.09540	5.1
367.08981	28.3
367.13046	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46022	0.2
57.74757	0.2
59.04983	0.6
69.68465	1.9
79.05480	0.2
81.07031	0.3
85.23985	0.2
87.50079	0.2
105.07037	0.2
112.74123	0.3
114.80315	0.2
175.03639	8.3
176.03880	0.3
225.91493	0.3
312.73755	0.3
321.11023	1.1
339.11981	11.0
340.12320	0.5
367.11465	100.0
368.11804	5.4
385.12610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1142
Annotation	Derrubone
Peak:m/z	Relative Intensity
50.27748	0.4
67.28410	0.3
70.80653	0.9
70.81009	0.5
91.05437	0.3
103.86954	0.3
112.65249	0.3
175.03650	7.4
321.10980	1.1
339.12003	9.3
340.12234	0.4
367.11469	100.0
368.11771	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	367.1148
Annotation	Speranskilatine A
Peak:m/z	Relative Intensity
51.44082	0.4
62.98223	0.9
71.41209	1.1
84.62452	0.5
95.28631	0.5
96.68620	0.5
100.92770	0.5
104.99255	19.4
120.96630	37.4
164.28052	0.5
175.03636	7.2
186.99512	12.5
200.86444	0.6
202.96907	38.1
203.06668	0.7
203.97295	0.9
220.89709	1.0
267.97849	0.5
268.99857	1.4
279.09555	0.5
284.97217	4.9
321.10849	0.9
339.11942	9.3
340.12418	0.7
367.11478	100.0
368.11755	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	367.1747
Annotation	Longilactone
Peak:m/z	Relative Intensity
55.01857	1.6
55.05490	4.3
56.96541	1.3
64.19048	1.4
67.05480	4.1
69.03434	3.4
69.07041	5.1
70.04681	7.2
70.06566	4.5
71.08624	1.5
71.17970	1.3
72.08160	3.6
72.27068	1.4
79.05483	6.4
81.03333	2.1
81.07049	2.6
83.04986	7.9
84.08120	3.1
85.02898	2.1
85.06510	2.6
86.09666	2.1
91.05442	8.2
93.07019	4.7
94.06531	2.0
95.04951	4.2
95.08553	1.5
97.06516	49.4
99.08118	3.3
105.07017	6.3
107.08586	5.0
115.05399	1.8
117.07008	4.4
118.06506	6.1
119.04919	5.2
119.08561	6.5
121.06425	1.8
122.05953	2.1
123.00716	2.0
123.04418	2.6
125.05986	3.0
125.09637	5.1
128.06174	2.2
129.06973	2.5
131.08525	5.1
132.00050	1.6
132.08070	2.5
133.10101	5.7
135.04405	2.8
135.08035	2.2
136.07590	2.1
139.03825	1.9
143.08545	7.9
144.08028	2.0
145.10089	5.4
146.05960	7.9
147.04381	4.3
155.08514	4.6
157.10103	5.4
159.08014	6.7
161.09598	5.6
163.03947	2.1
167.08498	2.1
169.10133	4.3
173.09598	1.9
175.03891	5.4
178.04985	3.4
179.07068	1.7
181.09982	1.7
183.11668	2.8
185.09540	2.1
185.13113	1.9
188.07022	8.4
195.11665	2.5
197.13138	1.9
207.06447	7.0
211.14778	5.1
229.15886	1.9
239.14301	2.9
241.15837	2.2
257.15326	3.6
264.12375	3.0
267.13647	1.8
271.10794	2.2
273.14764	2.7
275.16418	9.1
285.14838	11.4
291.15860	5.6
303.15863	40.1
304.16550	2.4
317.11029	2.1
321.16916	100.0
322.17270	5.2
331.15359	4.7
335.12247	3.7
339.17886	2.4
349.16443	11.7
367.18335	4.4
394.89655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20179	2.6
67.05491	2.9
69.03394	4.0
70.06584	5.3
71.04961	3.3
71.68827	5.7
72.08130	9.2
79.05479	4.3
81.03402	2.4
81.07027	9.6
83.04974	5.3
83.27708	2.7
84.08118	7.3
85.02865	3.7
85.14061	2.5
86.09672	4.0
91.05470	22.5
93.07039	3.2
95.04921	7.2
96.04528	3.1
97.06503	7.4
101.33289	2.3
105.06983	4.2
107.08568	2.9
119.04922	45.7
122.06007	3.7
123.11646	6.1
126.09119	9.2
136.07552	4.3
143.08557	5.3
143.11761	8.0
144.10167	4.5
147.04379	47.1
150.09106	2.4
151.03873	4.1
151.11157	6.8
154.04895	2.7
161.12843	16.5
169.12224	3.8
175.03883	73.8
176.04216	3.4
182.07997	3.2
187.13289	14.5
188.02754	3.8
205.06833	4.0
206.03773	6.5
207.06497	100.0
215.11807	3.0
229.09674	3.2
243.11198	4.8
247.94797	2.7
251.12747	3.4
264.12326	24.2
271.10675	21.2
287.10251	5.0
289.11847	3.0
299.10239	6.2
303.15674	6.1
317.11261	9.9
321.16855	18.5
335.12311	9.0
350.11847	2.8
367.07996	4.0
367.14301	3.0
367.18643	43.9
368.08990	6.1
368.18967	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42648	2.2
53.03933	8.0
55.01864	22.1
55.05501	56.6
57.03162	2.5
57.03427	38.6
57.07050	3.7
59.05003	2.4
65.03932	6.0
67.05493	84.1
69.03401	11.8
69.07059	37.9
69.54831	11.4
69.55264	10.8
71.04980	12.0
76.24443	2.7
79.05019	4.1
79.05482	71.8
81.03403	8.9
81.07041	86.8
83.04964	27.3
83.08603	40.4
85.02877	9.6
85.06522	9.1
91.05463	64.3
93.07028	77.8
95.04951	52.2
95.08591	57.2
97.06497	14.3
97.10159	15.1
98.20699	5.1
99.04422	12.0
99.08096	5.5
101.06010	4.8
103.05445	6.8
105.07014	60.9
107.04937	18.0
107.08569	55.6
109.02845	4.0
109.06493	23.0
109.10147	27.5
111.04425	27.7
111.08088	13.5
115.05470	3.2
117.07005	26.9
119.08562	51.4
121.06481	23.8
121.10104	40.9
123.08040	13.4
123.11681	8.7
125.09611	14.8
129.06985	9.7
131.07030	4.3
131.08565	33.3
133.10120	36.7
135.08005	14.0
135.11691	16.7
137.09566	5.8
137.13249	2.9
139.07484	2.9
139.11166	7.4
141.06940	2.9
143.08522	11.2
145.06454	4.2
145.10103	31.8
147.08011	6.2
147.11650	24.4
149.09605	43.5
149.13219	10.4
150.10101	2.3
151.07510	8.0
151.11134	7.2
153.09143	4.0
153.12726	3.7
155.08447	3.3
157.10091	6.8
159.08018	2.8
159.11671	29.0
160.12021	2.8
161.06018	3.7
161.09564	7.7
161.13245	9.9
163.11180	30.0
165.09030	2.7
165.12717	6.2
167.10634	2.9
168.19341	2.6
169.10042	6.2
171.11652	6.2
173.09586	4.4
173.13304	12.1
175.07527	3.3
175.11142	6.4
177.12759	6.2
181.12233	4.4
183.08185	2.7
183.11681	3.1
185.13194	13.3
187.11142	5.0
187.14891	4.5
189.09088	5.3
189.11209	7.7
191.14235	6.2
197.13200	6.2
199.14870	3.3
201.16273	4.0
203.14264	10.0
205.12251	9.0
205.15854	2.5
211.13135	3.1
215.14148	3.4
219.17418	27.1
223.13260	36.1
229.19382	3.6
239.18024	12.7
255.02916	3.5
257.18973	22.2
259.09491	2.7
271.13126	4.8
275.20013	100.0
276.20633	3.1
293.21082	15.6
295.13159	2.8
339.12106	4.6
349.23682	27.8
367.11374	27.9
367.15408	21.3
367.25174	26.5
368.15799	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.0
55.01637	1.0
55.01863	12.2
55.05501	25.2
57.03425	15.2
57.07065	1.3
65.03928	2.0
67.05492	55.8
69.03421	2.6
69.07056	39.8
70.06555	1.2
71.01372	1.0
71.04982	5.5
71.38147	2.2
79.05478	46.9
81.03405	2.5
81.07041	100.0
82.07366	1.5
83.04959	6.7
83.08609	13.2
85.02896	2.0
85.06532	5.8
90.35046	1.0
91.04986	0.7
91.05461	29.6
93.07025	37.0
95.04951	11.2
95.08588	33.6
95.09196	1.9
97.02858	1.5
97.06516	16.3
97.10153	4.4
99.08071	3.1
103.53308	1.0
105.06329	2.2
105.07008	34.0
107.04937	12.1
107.08566	24.4
109.06494	13.6
109.10134	16.2
111.04392	1.1
111.08057	5.6
115.07513	1.0
117.06983	8.2
117.57954	1.1
119.08553	24.3
120.08905	1.4
121.06475	3.4
121.10116	17.0
123.08036	7.9
123.11674	9.0
125.06032	1.2
125.09643	5.2
129.06978	3.7
131.08539	13.3
133.06438	1.9
133.10097	18.0
135.08031	4.1
135.11674	8.0
137.05974	1.5
137.09573	3.6
143.08530	3.6
145.06480	2.7
145.10091	13.1
147.08035	1.5
147.11661	23.9
149.09593	16.9
149.13231	9.5
151.11128	3.6
151.76430	1.3
155.08499	1.3
157.10118	4.8
159.11690	8.6
161.09648	2.4
161.13251	3.2
163.11172	8.3
165.08984	1.8
165.12758	5.4
169.10088	3.1
171.11661	3.7
173.13237	4.9
175.03746	1.4
175.11145	3.3
177.12682	3.1
179.14240	1.7
183.11636	2.9
187.11272	2.4
187.14755	1.9
189.11198	2.6
191.14389	1.5
195.13713	2.4
205.12132	1.6
207.13675	1.3
215.17706	1.5
217.27611	1.1
219.13873	1.7
227.12801	2.7
229.19479	3.3
233.18915	1.7
239.17998	3.3
247.20566	4.6
257.18961	7.3
275.20023	45.1
293.21155	3.6
331.22296	1.3
349.23657	13.4
367.11624	12.1
367.24808	23.6
368.11813	1.8
383.00592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01851	10.0
55.05505	26.4
57.03424	11.3
57.07068	4.4
65.03922	6.3
67.05490	50.9
69.03429	3.2
69.07060	34.0
69.61139	18.5
71.04985	4.8
79.05486	46.0
81.03387	4.1
81.07049	100.0
83.04964	9.0
83.08608	16.9
85.06557	3.0
91.05466	40.3
93.07032	36.1
95.04961	16.4
95.08589	35.2
97.06515	14.2
97.10146	3.1
103.05491	3.0
105.07016	45.0
107.04942	10.5
107.08568	22.7
109.06505	21.8
109.10143	17.8
111.08079	6.6
117.07002	13.8
119.08551	24.7
121.06483	11.8
121.10136	16.3
123.04382	4.4
123.08037	12.3
123.11687	6.3
129.07007	4.2
131.08556	19.0
133.06525	3.0
133.10110	22.3
135.08031	6.4
135.11664	11.1
137.09622	6.2
143.08562	4.9
145.10085	14.8
147.08012	6.1
147.11678	22.3
149.09605	15.5
149.13254	11.0
151.11137	5.1
157.10130	7.0
159.11668	12.3
161.09654	3.4
161.13167	4.3
163.11131	9.6
165.12672	7.5
169.10071	3.4
171.11652	5.4
173.13211	7.4
175.11200	3.6
177.12723	5.3
183.11642	4.9
193.12221	3.0
197.13226	3.7
201.08994	2.8
215.18045	3.2
236.19415	2.6
247.20470	6.0
257.19022	14.6
259.45929	3.2
275.20050	84.6
293.21143	10.0
349.23700	26.1
367.11526	32.7
367.24963	28.8
368.12152	3.6
379.22055	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
53.67741	0.9
55.01854	4.3
55.05500	14.1
57.03434	4.8
57.07056	3.3
67.05138	1.5
67.05492	22.6
68.08708	1.1
69.03429	2.3
69.07058	17.3
70.86350	2.1
70.86752	1.8
71.04977	1.6
79.05478	20.7
81.03389	2.0
81.07045	28.8
83.04961	8.2
83.08604	6.0
85.02877	1.4
85.06516	2.7
85.54881	1.0
87.42470	1.0
91.05462	24.9
93.07029	30.5
95.04939	7.8
95.08592	18.6
97.06503	4.9
97.10134	2.2
100.58447	0.9
103.05431	1.3
105.06333	1.9
105.07016	33.1
105.07723	1.9
107.04945	6.6
107.07912	1.4
107.08580	17.7
109.06501	10.1
109.10139	8.4
115.05427	1.1
116.78432	0.8
117.07009	8.7
119.08567	16.2
121.06487	9.5
121.10147	10.1
123.08025	6.8
123.11660	2.3
124.26382	1.0
125.09590	1.3
125.45811	1.0
129.06970	3.1
131.08553	20.7
133.06476	3.2
133.10118	16.1
135.08032	6.8
135.11670	6.1
137.09572	2.5
141.06897	1.3
143.08638	1.9
145.06419	2.4
145.10117	14.0
147.08009	3.8
147.11673	12.2
149.09587	8.1
149.13237	3.8
151.11140	5.6
153.09003	1.2
155.08588	2.3
157.10130	4.2
159.08035	2.3
159.11693	8.8
161.09596	4.3
161.13203	3.5
163.11142	6.0
163.14764	1.5
165.12723	1.5
167.39366	0.9
168.09325	1.2
169.10106	2.8
171.11656	3.1
173.09589	2.7
173.13237	7.6
175.03712	1.5
175.11217	2.9
175.14903	1.2
177.12746	2.1
179.14256	1.2
183.11696	2.9
185.13274	1.6
187.11087	2.2
191.14301	3.8
197.13167	0.9
201.12724	3.5
203.14214	0.9
207.13792	3.4
213.16345	1.4
215.14299	1.2
215.17944	2.5
216.20114	1.0
218.43668	1.1
219.13741	3.0
219.17477	1.3
229.19566	2.5
237.14796	1.0
239.17929	3.8
247.20537	2.5
257.18958	14.6
275.20020	100.0
276.20508	5.0
276.23169	1.1
293.21039	8.8
339.11996	1.3
349.23691	32.1
350.24167	1.4
367.11548	10.2
367.24802	21.9
368.11884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01864	11.2
55.02082	1.9
55.05500	31.5
57.03431	19.0
65.03915	2.3
67.05495	63.3
69.03408	4.7
69.07052	26.8
69.57393	8.9
69.57818	8.0
71.04982	4.7
71.08619	2.1
79.05022	3.3
79.05476	48.9
81.03371	5.4
81.07042	100.0
83.04947	7.0
83.08605	14.1
85.02883	2.0
85.06512	7.9
86.96944	1.9
91.05457	43.4
93.07024	40.2
95.04955	13.0
95.08590	39.8
97.06521	17.9
97.10155	8.3
98.20696	3.7
98.21278	5.7
99.08047	3.4
105.06332	3.4
105.07012	43.2
107.04944	10.2
107.08572	28.1
109.06495	11.9
109.10139	27.1
111.08083	5.0
117.06992	12.4
119.08551	31.4
121.06482	6.8
121.10136	19.5
123.08051	7.5
123.11668	9.2
125.09598	5.8
129.06981	5.5
131.08539	16.9
133.10117	23.6
135.08025	7.0
135.11693	13.2
137.09612	5.6
139.11156	2.6
143.08516	3.8
145.10110	18.2
147.11678	18.7
149.09605	14.6
149.13240	9.2
151.11159	4.2
153.08946	2.5
155.08607	3.2
157.10077	6.3
159.11685	10.6
161.13246	6.4
163.11159	10.6
165.12704	6.8
169.10094	4.5
171.10219	4.0
171.11673	5.4
173.13220	5.2
175.11122	2.8
177.12669	4.6
179.14291	2.6
183.08034	1.9
183.11670	4.5
189.11209	3.6
191.14383	3.3
195.13768	3.0
197.09581	2.5
229.19502	3.9
230.95871	1.8
239.18001	4.1
247.20544	6.2
257.18964	7.1
269.17529	3.4
275.20007	54.7
276.20557	2.4
293.20996	7.2
312.88504	2.2
339.12189	2.1
349.24020	10.6
367.11554	16.9
367.24576	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33452	2.3
55.01865	6.1
55.05284	2.3
55.05506	28.2
56.77465	2.3
57.03408	7.8
67.05498	32.6
69.03407	4.9
69.07058	33.0
71.08624	30.3
72.08137	3.0
79.05471	17.7
81.03397	6.1
81.06611	2.8
81.07052	30.8
83.04966	7.6
83.08587	8.7
84.99761	2.9
91.05447	11.6
93.07026	19.9
95.04951	11.1
95.08591	13.9
97.06520	9.5
97.10143	9.0
99.08081	24.1
103.68008	2.6
105.07032	9.2
107.04923	6.7
107.08570	17.5
109.10128	10.1
117.06962	2.7
119.08576	11.3
121.06429	4.1
121.10119	7.0
121.63715	2.9
123.11657	3.0
125.09605	9.6
131.08556	5.0
133.10118	11.3
135.08040	5.0
135.11641	4.3
139.11119	2.9
145.10083	5.5
147.11653	3.6
149.09624	4.9
149.13319	3.2
159.11679	3.2
161.13295	3.2
165.12689	2.7
173.13210	3.4
175.03786	3.7
177.12762	3.9
189.11176	2.7
228.74168	2.8
246.31529	3.2
275.20047	13.4
293.21069	100.0
294.21375	8.1
297.25940	2.4
367.11340	20.3
367.24887	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94383	1.5
53.03935	5.1
54.72534	1.5
55.01860	8.8
55.05504	30.9
57.03425	15.8
57.07056	2.8
67.05495	59.4
69.03427	7.2
69.07056	31.8
71.04975	5.1
71.08617	4.0
71.69521	3.0
79.05482	50.5
81.03399	5.2
81.07043	100.0
82.07367	2.0
82.50874	1.5
83.04971	9.6
83.08609	15.6
85.02867	1.6
85.06540	4.6
91.05470	37.9
93.07035	46.4
95.04955	14.8
95.08593	41.7
97.06519	15.2
97.10158	5.0
98.20944	1.9
99.08058	7.3
103.05458	2.1
105.07014	44.7
107.04942	10.0
107.08578	30.5
109.06521	14.3
109.10140	22.3
111.08067	8.1
115.05468	2.0
117.07002	14.8
119.08556	35.8
121.06503	6.7
121.10108	18.9
123.08079	9.1
123.11681	8.6
125.09621	4.4
127.07578	1.8
129.06998	4.8
131.08536	17.3
133.10103	29.2
135.08044	6.7
135.11674	14.6
137.09628	8.2
143.08542	3.8
145.10101	20.5
147.08008	2.3
147.11652	21.7
149.09587	10.8
149.13222	7.4
151.11139	5.1
153.12733	3.2
157.10118	5.1
159.11665	11.2
161.13252	4.3
163.11197	9.9
165.12729	5.7
169.10120	2.8
171.11693	3.1
173.09528	2.3
173.13213	5.6
175.03685	2.4
175.11264	3.1
175.14790	2.0
177.12772	2.5
179.14255	2.1
183.11623	2.8
185.13185	2.4
187.14836	2.5
189.11214	1.9
191.14252	2.5
193.12268	2.5
195.13852	2.1
197.13176	2.6
199.14619	2.0
200.06438	1.6
207.17636	1.4
213.00879	1.6
229.19481	3.8
239.17935	3.5
247.20583	4.8
255.15912	1.9
257.19000	6.8
265.21695	3.7
269.17444	4.5
271.15323	1.9
275.20020	54.7
276.20474	3.2
293.21094	21.8
349.23709	11.2
367.11414	10.5
367.24890	28.0
368.24533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01867	23.5
55.05500	39.5
56.96564	4.5
57.03430	18.5
57.07069	5.5
65.03911	5.1
67.05493	73.2
67.59477	3.3
69.03418	6.7
69.07060	49.2
71.04980	8.2
71.19743	8.0
76.02219	3.8
79.05483	61.3
81.03403	11.3
81.06606	6.1
81.07048	85.0
83.04955	19.2
83.08604	25.4
84.04499	3.5
85.02896	7.2
85.06542	7.1
90.26430	3.4
91.05469	47.2
93.07030	68.7
95.04973	25.3
95.08594	43.6
97.06519	27.4
97.10135	13.9
99.04412	9.8
105.07026	55.4
107.04926	18.4
107.08576	51.0
109.06491	12.6
109.10152	39.7
111.04434	13.7
111.08089	4.8
112.05505	3.1
117.06973	12.2
119.08559	37.9
121.06480	10.5
121.10133	28.1
123.04414	3.4
123.08047	9.0
123.11682	13.4
125.09628	17.9
129.06966	8.2
131.08554	26.6
133.06474	5.3
133.10117	30.6
135.08040	14.0
135.11667	12.7
137.09579	4.8
139.11131	4.9
143.08554	6.7
145.06451	4.0
145.10121	31.1
147.07994	5.6
147.11642	21.1
149.09595	33.0
151.11160	7.8
153.09157	4.3
155.08479	4.6
157.10101	11.3
158.04129	3.7
159.08055	4.0
159.11731	19.1
161.09621	6.1
161.13290	7.6
163.11159	21.0
169.10027	4.8
171.10175	6.2
171.11673	7.3
173.09702	3.3
173.13193	11.1
175.03761	5.1
175.11160	4.2
177.12663	3.7
183.11662	7.9
185.13147	3.5
187.11244	4.9
187.14764	4.8
189.11189	4.7
201.16360	3.7
211.14966	3.4
223.11148	4.2
223.13205	22.8
229.19408	4.5
239.17908	6.6
247.20552	3.5
251.20105	3.9
257.18948	14.6
275.20016	100.0
276.20520	5.8
285.09955	3.8
293.21094	13.5
339.11874	3.9
349.23792	22.8
350.96426	3.1
367.11566	45.6
367.25058	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.05498	21.8
57.07067	6.1
62.36364	2.5
65.03926	4.4
67.05493	49.4
69.03413	7.4
69.07061	25.0
71.04968	7.8
75.36966	2.5
79.05479	36.9
81.07043	49.8
83.04966	8.7
83.08595	10.8
83.76458	2.7
85.06525	6.1
91.05468	55.2
92.88660	2.7
93.07032	80.4
95.04948	37.7
95.08591	64.8
97.06522	13.3
103.05454	5.4
105.04502	3.2
105.06327	5.4
105.07018	84.3
107.08575	57.1
109.06509	10.9
109.10142	36.6
111.08064	8.4
115.05442	6.4
116.06240	3.4
117.07017	22.4
119.08562	100.0
121.06489	9.3
121.10121	49.4
122.88834	2.4
123.07993	6.0
123.11681	16.0
128.06184	11.2
129.06979	19.5
130.07765	7.7
131.08554	50.7
133.09180	3.8
133.10112	55.3
135.08038	17.5
135.11678	19.6
137.09599	6.3
141.06984	7.4
142.07779	27.7
143.08543	44.2
144.09314	13.9
145.06487	4.3
145.10110	66.7
146.07259	9.4
146.10931	2.9
147.08029	11.0
147.11682	19.9
149.09581	14.1
149.13199	4.0
151.11237	2.7
154.07753	4.0
155.08548	15.9
156.09334	12.4
157.04510	2.6
157.10104	54.9
158.10818	8.2
159.08012	5.9
159.11664	38.5
161.09581	43.8
161.13200	6.3
163.11168	3.9
165.06960	3.9
165.12648	2.5
167.08484	9.5
168.09264	3.4
169.10086	17.9
170.10895	10.5
171.07988	3.7
171.11673	30.2
172.12515	3.2
173.09576	7.3
173.13228	30.6
175.11197	7.7
175.14777	17.5
179.08542	9.6
181.10139	12.5
182.10841	6.0
183.11649	19.7
184.53352	2.8
185.09579	2.8
185.13232	14.9
187.11195	6.4
187.14746	12.6
193.10136	5.7
194.10878	7.4
195.11711	14.1
196.12434	5.8
197.13228	16.8
198.13992	3.3
199.11211	4.3
199.14792	12.4
201.12674	4.4
201.16278	5.4
205.15872	3.2
207.11740	5.6
209.13200	23.9
211.14795	8.7
213.12761	5.0
213.16309	3.9
215.14229	3.7
217.15962	4.3
223.14667	5.8
225.16302	5.8
227.14284	17.6
227.17776	3.6
235.14844	3.4
237.16432	5.4
239.17955	8.0
251.17924	4.5
253.00345	3.0
253.19366	2.7
255.17365	6.4
265.19232	2.8
267.17416	4.2
269.19101	4.2
283.20578	3.2
349.25192	9.9
367.11392	3.5
367.26324	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	368.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01849	3.6
55.05505	21.5
57.03416	3.2
57.07056	1.9
58.06592	5.5
60.04518	19.4
65.03934	1.1
67.05148	1.2
67.05494	18.8
69.03415	5.0
69.06697	1.0
69.07057	15.2
70.06567	3.2
71.04984	8.5
71.12907	1.1
72.04477	1.5
79.05476	16.5
80.04990	1.5
81.03399	2.0
81.07040	17.1
82.07375	1.1
83.04963	3.4
83.08595	10.8
84.08131	7.6
85.06523	4.0
86.09688	29.3
88.07603	4.5
91.05471	8.5
93.07026	14.4
94.06561	2.5
95.04974	6.6
95.08595	6.4
96.08092	3.2
97.06502	3.6
97.10149	19.8
100.07607	2.2
105.07003	10.2
107.04925	4.4
107.08588	9.3
108.08055	2.2
109.06470	4.4
109.10125	2.9
110.06013	3.8
110.09663	1.0
112.07587	26.8
113.05955	2.2
113.99423	0.9
114.09112	0.9
117.07021	4.8
119.08566	4.9
121.06500	2.2
121.10130	7.8
122.09660	7.1
123.04400	1.9
123.08057	3.4
123.93473	1.0
124.07502	1.6
125.09589	13.8
126.09116	1.2
127.88803	0.8
128.10696	32.0
129.06958	1.6
130.08623	2.7
130.94409	0.9
131.08539	4.1
133.10098	2.8
135.07997	3.8
135.11678	2.4
136.11211	1.7
138.09084	1.0
138.12779	4.3
143.08470	1.4
143.10579	1.4
145.10089	3.3
147.04446	1.0
147.07976	2.1
147.11653	2.1
148.11168	1.7
149.09460	1.2
149.13249	1.5
153.09082	1.4
154.08600	10.9
156.10178	1.5
157.10080	1.2
159.11688	3.2
160.11154	1.2
161.13194	1.1
169.10063	1.4
172.09663	14.0
177.12744	1.8
180.13803	16.8
187.11134	1.8
189.11171	11.4
189.12827	1.5
195.13791	1.7
204.13766	1.2
217.15929	1.6
221.15326	2.6
223.13263	4.6
241.14255	1.2
272.20016	2.0
273.18484	4.3
276.20468	1.2
280.18652	1.0
290.21115	12.3
291.19482	5.9
308.22195	12.3
326.23282	1.4
332.22122	2.1
350.23230	22.4
368.11722	3.1
368.24252	100.0
369.24594	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	369.07
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	13.2
70.59999	0.9
70.60332	3.1
84.96015	1.0
85.02882	0.9
88.69653	0.9
98.97563	55.3
100.99134	11.7
110.97535	7.7
112.49255	0.9
112.99126	7.3
116.98602	24.9
119.00166	3.5
128.98579	13.0
131.00150	10.9
134.99617	7.0
143.00140	30.9
144.98097	1.7
146.99615	11.1
149.01199	4.9
156.00204	1.5
158.99646	5.8
161.01195	35.8
162.00197	1.1
162.99130	1.9
165.00676	16.6
167.02246	0.9
168.00179	1.2
170.99580	5.9
173.01228	4.8
177.00691	9.4
179.02223	5.3
183.01767	11.3
186.01193	1.6
189.00670	17.8
191.02243	3.4
195.70457	1.0
198.01181	1.5
201.00668	2.7
203.02304	1.1
207.01727	100.0
219.01724	9.2
220.70573	0.8
225.02783	33.2
230.03273	4.9
231.01768	1.2
237.02785	9.0
243.28650	0.8
249.02780	47.1
255.03862	2.7
261.02744	3.8
267.03833	38.0
279.03824	16.0
290.05399	2.6
291.03943	4.0
297.04907	6.4
309.04880	3.8
321.04663	1.7
327.05899	1.0
364.39462	0.8
369.06955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84731	1.7
56.96552	16.4
56.98578	1.6
58.28487	1.8
80.49447	1.6
81.72678	1.9
85.02910	2.2
97.16959	2.3
98.20676	4.1
98.97562	70.8
100.99098	15.3
110.84360	1.9
110.97549	10.0
112.99131	8.4
116.98595	29.5
119.00165	4.5
121.22227	1.6
127.03918	1.8
128.98579	16.0
131.00151	11.7
134.99619	6.5
142.99113	3.5
143.00139	32.1
143.68457	1.7
146.99594	13.5
149.01222	5.6
151.59036	1.8
158.99657	6.4
160.74550	2.2
161.01190	36.6
162.99077	2.1
165.00699	20.7
168.00114	2.2
170.99622	2.2
173.01208	4.6
177.00694	6.0
179.02328	4.2
183.01707	10.6
189.00641	18.5
191.02107	2.4
192.33400	1.8
201.00647	2.5
207.01727	100.0
208.02184	1.8
219.01740	13.3
225.02757	26.5
230.03220	2.7
231.01700	3.2
237.02852	11.1
249.02753	59.7
255.03918	5.5
261.02710	5.2
267.03842	52.5
279.03821	22.6
290.05396	4.1
291.03818	7.9
297.04956	7.3
309.04968	5.0
321.04987	3.4
327.06110	3.9
361.74347	2.2
369.07205	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	2.7
69.03423	7.0
70.06566	6.3
71.13267	4.9
71.13575	2.9
79.05473	3.2
81.07034	3.8
83.04970	7.6
85.02892	14.7
87.04455	2.8
89.03915	10.0
91.05489	3.1
95.04946	3.8
97.02911	4.2
98.09702	2.7
105.07016	2.5
107.04937	2.5
107.08582	4.4
109.02864	3.9
109.06525	2.9
117.03370	25.8
119.08582	4.6
121.06430	2.5
121.10175	3.8
123.08043	3.3
127.03792	2.6
129.07005	2.6
130.83438	2.8
133.10112	5.1
137.09688	3.2
145.02835	58.5
147.11670	2.9
149.05971	11.0
149.09622	8.6
151.11180	13.0
159.08022	4.2
161.09660	3.0
161.30489	2.2
163.11154	6.5
167.07118	2.2
171.11554	2.6
174.10428	4.0
176.41829	2.6
177.05452	100.0
177.53873	2.7
178.05783	4.6
179.10457	2.5
189.12706	18.6
191.14314	12.5
205.12242	3.3
207.13736	19.4
313.01791	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	369.1325
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01860	3.1
55.05503	3.4
57.03432	1.5
64.32801	1.2
65.03925	1.9
65.79151	1.0
67.05489	3.2
68.99787	5.4
69.03403	4.6
69.07071	1.2
70.06566	1.3
71.70148	1.9
79.05479	3.6
80.53262	1.1
81.03391	2.0
81.07054	5.9
83.04977	3.2
85.02871	2.0
91.05458	6.9
93.07026	3.1
95.04939	5.7
95.08587	4.3
97.02849	1.8
97.06508	2.2
99.04418	1.8
102.35828	1.0
103.05436	1.8
105.07006	5.1
107.04933	1.6
107.08581	3.2
109.02853	1.5
109.06528	1.6
109.10152	4.8
111.00767	3.2
111.04420	5.1
111.08042	1.2
117.06994	2.5
119.04922	2.4
119.08556	3.3
121.06470	1.4
121.10088	2.6
123.04409	13.9
123.08027	1.7
125.06074	1.2
127.03890	2.0
128.06201	2.5
129.06976	3.1
131.04916	5.1
131.08543	1.8
133.06432	1.5
133.10149	1.8
135.04385	2.9
135.08026	1.9
137.02298	1.2
137.05954	4.2
137.09567	3.7
139.03868	100.0
141.07019	1.6
143.08557	3.3
145.02805	2.2
145.06494	3.0
145.10106	3.1
147.04356	4.1
147.08005	2.0
149.05928	7.5
149.09552	1.4
151.03935	5.7
151.07472	1.7
153.05376	1.9
153.06897	1.1
155.08530	2.3
157.06454	2.1
157.10165	1.7
159.07996	2.6
160.05190	3.7
161.05959	8.5
161.09610	3.0
163.03864	26.4
163.07518	2.8
164.04507	1.2
165.05537	1.3
165.06973	1.3
165.09042	2.0
167.07019	3.8
167.08368	1.3
167.66910	1.1
169.06403	2.1
169.10147	1.5
171.08093	1.3
173.05939	6.4
173.09581	3.8
174.06697	1.7
175.03886	5.3
175.07494	7.6
176.04597	1.3
177.05490	5.5
177.09135	2.2
179.03331	10.9
179.08617	1.2
179.10593	1.5
181.04967	2.1
183.06538	1.4
183.08083	2.3
185.05940	1.1
185.09464	1.4
187.07521	3.1
189.05489	1.4
189.09045	8.3
189.12833	1.4
191.10641	7.8
195.08060	1.7
197.05945	2.9
197.09579	2.0
199.07513	7.3
201.05450	1.8
201.09062	8.3
203.10634	3.2
205.04901	1.8
207.06534	4.8
211.07538	1.3
213.09103	3.2
213.12628	1.1
215.06981	1.5
215.10635	7.7
217.08630	1.8
219.10086	11.5
221.05981	2.9
225.05659	1.2
225.09081	4.1
227.07310	1.3
229.04968	4.2
229.08647	1.4
229.12196	1.7
231.10074	9.1
235.07472	1.3
243.10103	8.8
249.05389	1.2
253.05017	1.3
267.06589	2.2
279.06567	1.8
279.10190	1.9
280.14096	1.1
283.06055	2.4
285.07657	1.8
291.06525	1.4
295.05966	18.9
296.06555	1.8
300.31931	1.1
305.07980	1.2
307.09546	2.7
308.06393	1.3
309.07495	5.1
309.11343	1.6
311.05533	3.6
311.12750	2.3
313.07034	34.8
313.10391	1.4
322.08295	3.2
323.09094	2.8
323.12772	2.1
325.10675	3.2
330.07404	2.0
333.11111	2.0
339.12216	3.1
341.14087	1.8
351.12128	10.8
369.13458	11.6
370.09061	1.5
390.36252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1329
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03942	1.2
55.01860	2.6
55.05505	1.5
56.88794	1.0
57.03406	1.4
65.03931	1.5
67.01828	1.0
67.05491	4.1
68.99770	4.8
69.03418	2.4
69.07053	2.5
69.90547	4.5
69.90968	1.8
70.06542	0.9
79.05469	3.0
81.03416	1.7
81.07049	4.2
83.04977	2.5
85.02902	1.0
91.05471	4.7
93.03394	1.2
93.07032	1.9
95.04966	3.2
95.08591	2.4
97.02866	1.7
97.06519	2.4
101.63275	0.9
103.05463	2.4
103.78897	0.9
105.07034	4.4
107.04951	2.3
107.08565	1.9
109.10149	2.7
111.00786	2.7
111.04440	5.3
115.05450	1.9
117.06952	0.9
119.04913	1.4
119.08549	2.0
121.02821	1.6
121.06524	1.9
121.10152	1.9
123.04417	15.2
123.11625	1.4
125.05953	1.9
125.09578	1.0
127.03872	1.9
128.06221	2.2
128.44026	0.8
129.06952	2.4
131.04912	3.9
131.08521	1.7
133.10066	1.9
134.69250	0.9
135.04399	4.0
135.08029	1.6
137.05933	2.6
137.09654	1.0
139.03880	100.0
140.04268	2.3
141.06926	1.2
143.08542	1.7
145.06473	2.2
145.10110	2.7
147.04401	3.1
149.05957	6.4
150.09201	1.0
151.03886	4.3
153.05479	2.1
153.07002	1.3
154.07722	1.1
155.08463	1.5
157.06517	1.2
157.10097	1.4
159.08072	2.1
160.05190	2.4
161.05946	7.8
161.09616	1.9
163.03883	23.2
163.07568	0.9
165.05504	1.3
165.09122	1.6
167.07088	4.6
167.08379	1.0
169.06444	1.7
169.10091	1.3
171.08049	1.4
173.05991	4.3
173.09633	2.4
175.03931	2.7
175.07545	5.6
177.05440	3.0
177.09103	1.9
179.03374	9.7
179.08540	1.1
181.04965	1.4
181.06554	0.9
183.06665	1.4
184.05318	1.2
185.06000	1.2
186.06757	1.1
187.07541	3.5
189.05467	2.7
189.09065	7.2
191.03343	1.3
191.07092	1.4
191.10602	5.6
195.08017	2.2
197.05943	1.4
197.09584	2.4
199.07504	6.3
200.08310	2.0
201.05405	1.7
201.09155	6.6
201.10780	1.1
203.06932	1.2
203.10689	2.1
205.08565	1.2
207.06471	2.4
211.07541	1.7
213.05482	1.2
213.09077	3.0
215.07025	2.7
215.10632	6.6
217.08527	2.1
219.10118	9.0
221.05971	2.1
225.05409	1.5
225.09105	2.7
227.07059	1.4
229.04942	3.1
229.08467	1.2
231.10156	7.0
234.06569	1.0
235.07607	1.8
236.08249	1.3
239.07053	1.7
243.10121	6.9
249.05365	1.2
249.09277	1.3
251.10661	2.0
264.07889	1.2
267.06497	3.7
269.08395	1.0
279.06494	1.7
282.05017	1.1
283.05933	1.6
293.07935	1.0
295.06018	10.3
295.09354	1.5
297.07632	2.0
305.08060	1.2
307.09680	3.1
308.06866	1.9
309.07544	13.1
309.10901	2.1
311.05673	2.0
311.09100	1.4
311.12695	3.6
313.07040	25.0
313.10553	2.3
321.07385	1.3
322.08209	3.1
323.09061	1.3
323.12799	1.8
324.09998	1.0
325.10571	2.5
331.81375	1.1
339.12204	4.6
351.12198	10.8
369.09253	1.1
369.13333	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.133
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01865	2.5
55.05496	2.5
57.03408	1.3
59.58602	1.0
65.03930	1.5
67.05477	2.5
68.98311	1.0
68.99775	3.5
69.03406	3.3
69.07035	1.5
69.78691	5.3
69.79096	1.8
70.06597	1.6
79.05465	2.6
81.07030	4.3
83.04958	1.5
91.05474	3.2
93.03406	1.6
93.07026	3.2
95.04950	3.1
95.08591	1.3
97.02882	1.9
97.06528	1.6
103.05475	2.3
105.07017	3.7
107.04913	2.0
107.08574	2.1
109.06483	1.4
109.10173	2.0
111.00799	3.1
111.04462	5.4
111.05084	1.0
115.05482	1.4
117.07005	2.1
119.04917	1.8
119.08554	2.1
121.06490	1.2
121.10114	2.1
122.03651	1.0
123.04398	14.6
129.07027	1.5
131.04909	4.3
131.08597	1.6
133.10110	1.9
135.04396	4.8
135.08026	1.8
137.05989	2.4
137.09569	2.3
139.03882	100.0
139.11124	1.2
141.06955	2.1
143.04889	1.1
145.06435	2.0
145.10031	1.7
147.04390	3.1
147.08031	2.5
149.05942	5.9
151.03865	4.7
151.07526	2.0
153.05438	1.7
155.08470	1.4
157.06430	1.7
157.10126	1.8
159.08031	1.7
160.05183	2.5
161.05937	7.6
161.09549	1.3
163.03893	19.6
165.09085	1.9
167.06996	3.7
167.08351	1.0
169.06473	1.3
169.10016	1.7
171.07986	1.1
173.05968	3.7
173.09624	1.7
175.03876	1.4
175.07562	6.3
177.05444	3.4
177.09077	1.1
179.03372	10.0
179.10773	1.6
185.09721	1.1
187.07501	3.5
189.05521	2.6
189.09111	5.9
191.10651	5.3
195.08083	2.6
197.05963	1.4
197.09639	2.3
199.07469	5.5
201.05348	2.0
201.09032	7.0
203.10667	2.3
211.07527	2.0
213.08968	2.1
214.06174	1.6
215.07133	2.1
215.10677	7.1
217.08424	2.0
219.02873	1.2
219.10081	9.2
221.05931	1.6
225.09035	3.0
229.04872	1.6
229.08484	1.4
231.10114	7.6
235.07458	1.5
243.10132	6.3
251.10616	1.3
267.06607	2.1
279.06491	1.2
279.10400	1.1
283.06009	1.3
295.06061	12.3
296.06601	1.7
305.07895	1.1
307.09683	2.3
308.06595	2.0
309.07599	9.7
311.12677	2.5
313.07098	24.7
313.10574	1.4
321.07413	1.7
322.08328	2.6
323.09070	1.9
325.10803	2.6
337.10471	1.7
339.12033	5.5
351.12265	11.5
352.12521	1.4
369.13315	11.0
369.17383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80652	0.4
53.03930	0.4
55.01864	0.6
55.05502	1.7
65.03933	1.1
67.05502	3.6
69.03413	1.6
70.06574	2.0
71.04960	0.7
71.68703	0.7
72.08128	0.6
79.05476	1.0
81.03397	0.7
81.07065	0.6
82.06573	4.1
83.04963	1.8
84.08145	0.8
85.02881	1.9
86.09698	0.8
89.12903	0.5
90.82789	0.4
91.05474	2.3
93.03355	1.0
93.07023	1.2
95.04955	2.3
98.06046	1.1
103.05428	0.6
105.03394	1.1
105.07033	1.3
107.04949	2.9
107.08580	0.7
108.08107	0.6
109.02859	0.7
110.06025	9.3
111.04432	2.8
113.05930	0.4
117.03375	1.1
119.04897	1.1
121.02843	0.6
121.06454	0.6
122.06017	0.9
123.00786	0.6
123.04414	2.3
124.07553	0.7
126.05480	5.7
127.03881	0.8
128.07077	1.3
129.05478	1.8
131.04991	0.8
133.02835	3.7
133.10112	0.9
134.05949	0.5
135.04390	0.8
136.07555	59.4
137.05946	1.6
137.07898	1.8
138.05466	0.7
139.03842	3.1
140.07042	1.8
141.01704	0.5
145.02832	1.9
145.06474	0.6
147.04381	1.3
147.11693	0.4
148.07646	0.5
149.05959	0.6
150.05470	0.8
151.03868	2.4
152.07062	1.4
157.04974	1.3
161.02277	2.2
163.03920	1.3
163.07541	0.6
164.07040	100.0
165.07411	2.7
166.08650	1.1
167.07004	0.9
170.08138	0.7
175.03831	1.1
175.06073	1.0
177.05463	3.5
179.03374	12.2
182.08101	72.7
183.08466	2.7
189.12668	1.1
191.14340	0.9
191.57222	0.5
196.09662	4.4
202.05051	0.5
207.06422	1.6
210.07570	0.6
219.10150	0.5
259.10730	0.7
274.10666	0.8
316.11630	0.7
319.12836	0.5
334.12805	0.9
337.14136	0.5
352.13705	1.2
369.16547	0.7
386.26080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2943
Annotation	N-Oleoyl-L-Serine
Peak:m/z	Relative Intensity
50.75843	0.3
51.41771	0.3
55.01852	0.4
55.05509	1.6
56.05029	3.0
57.03416	1.4
57.07056	1.1
58.06588	1.0
60.04518	3.1
67.05492	1.8
68.04649	0.3
68.05016	6.0
69.03400	1.2
69.07056	1.9
70.02948	0.6
70.06573	1.5
71.04961	0.3
71.08614	1.1
71.67698	0.5
72.04501	1.9
73.02927	0.3
74.06041	0.3
79.05468	1.0
80.04992	1.1
81.07039	1.7
82.02901	0.4
82.06558	0.5
83.04951	1.0
83.08598	1.2
84.04482	1.6
84.04931	0.3
85.10188	0.3
86.06033	0.7
88.07610	0.4
91.05455	0.6
93.07015	1.2
93.31918	0.3
94.06538	0.8
95.04947	0.5
95.08573	1.6
95.92883	0.4
96.04481	2.6
96.08098	0.4
98.06022	0.8
100.07607	0.7
105.07022	0.6
106.06521	0.5
108.04470	0.6
108.08114	0.4
109.10130	0.6
110.06013	0.6
114.05507	4.5
116.07005	0.4
118.06500	0.4
119.08566	0.5
120.08084	0.5
121.10138	0.7
123.04380	0.3
126.05499	0.7
132.06541	0.3
133.10107	0.5
135.36276	0.3
144.06541	0.6
145.10092	0.3
148.07530	0.4
171.07837	0.3
198.11226	0.9
212.23582	0.3
241.48959	0.3
250.25507	0.6
252.26730	0.7
262.16461	0.4
262.25345	0.4
278.24829	0.4
280.26108	0.4
292.26337	0.4
306.28021	0.3
324.28867	0.4
334.27328	0.6
342.29880	0.8
352.24139	0.6
352.28409	4.5
370.29449	100.0
371.25287	0.6
371.29767	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80014	1.1
56.96560	8.0
61.53961	1.1
63.44806	1.1
64.75308	1.0
67.83182	1.1
70.03549	3.1
70.03979	4.0
72.39896	1.2
74.02279	1.2
83.41434	1.2
85.02856	1.5
94.06538	4.0
98.97565	8.2
107.34721	1.2
112.99111	64.8
116.98602	5.3
131.00145	100.0
134.99628	1.5
149.01198	52.1
154.01703	1.8
167.02271	3.5
172.02798	2.5
175.02682	9.3
187.02760	1.3
193.03822	17.0
205.03831	2.3
211.04889	11.0
235.04854	85.6
236.02238	3.9
249.06354	8.4
253.05919	46.9
267.07394	1.2
276.07571	3.5
311.10077	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	371.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
56.05018	2.6
57.83970	1.9
59.74035	2.0
67.05501	2.8
68.99779	3.8
69.03414	4.9
69.89543	9.8
70.06572	7.1
72.08111	2.1
73.04752	4.8
79.05460	6.7
81.03401	3.7
81.04525	4.4
82.06560	3.0
83.04963	3.8
83.06078	3.5
84.04479	5.8
86.09695	3.5
87.77745	2.2
89.03922	2.3
91.05849	15.9
95.04945	7.9
97.02833	3.8
98.20648	2.3
106.06534	100.0
107.04961	5.1
108.04440	2.6
109.02887	2.6
110.06020	4.6
111.04446	7.0
118.06528	4.7
119.04935	5.9
121.02911	2.3
122.06004	3.7
123.04409	58.8
123.05379	3.7
124.03955	3.2
124.07587	2.8
131.04900	2.9
132.04451	2.9
133.02853	6.5
134.06017	4.8
135.04372	15.9
136.03888	3.0
136.07544	7.2
137.02284	2.2
137.05965	3.8
138.05501	6.4
139.03874	38.0
145.02834	3.0
146.06007	8.3
147.04378	18.7
148.03853	2.3
149.02365	2.2
150.05473	6.6
151.03905	17.5
151.06317	2.2
152.07014	14.7
153.05434	16.6
154.04935	2.5
159.04402	2.4
161.02330	6.9
162.05521	15.2
163.03876	38.2
163.06236	6.4
163.51411	2.1
164.03351	2.6
164.07034	24.7
165.05458	7.1
165.07777	3.3
166.04999	3.9
166.08588	2.9
174.05431	3.9
176.07071	8.5
177.05402	3.3
178.04974	14.4
179.03375	8.9
179.05710	4.7
180.06523	83.9
181.03529	2.8
181.05035	2.5
181.06992	2.0
185.07167	2.3
187.03893	2.8
188.07071	6.0
189.07799	3.2
190.04878	2.7
191.08167	8.4
192.06506	12.6
193.04942	2.3
193.07327	9.1
194.08119	8.9
202.05006	7.6
203.03366	6.9
203.08102	4.1
204.06596	4.8
206.08107	2.4
207.07617	3.3
208.06152	5.3
215.08237	2.9
219.07625	27.1
222.07611	8.3
231.07509	2.8
233.09247	7.4
268.97940	4.6
285.00931	7.0
308.08859	2.4
312.08612	3.5
313.09317	7.1
331.10516	14.2
353.11304	11.8
354.09775	5.7
355.07053	7.5
355.37109	2.3
365.29404	2.2
371.12354	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	371.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01865	15.5
55.05502	4.4
57.03418	3.4
57.07086	0.8
65.03960	0.7
67.05492	42.0
68.05803	1.1
68.67268	0.8
68.99754	0.8
69.03413	2.8
69.07061	3.4
70.06593	0.7
71.04974	7.8
71.70203	1.9
72.08125	0.9
72.32761	0.8
79.05483	5.9
81.07041	32.4
83.01330	6.5
83.04990	1.7
84.08103	1.1
85.06524	1.1
86.09699	0.9
91.05408	4.7
93.07020	5.2
95.04951	7.6
95.08595	13.6
97.06508	1.6
99.04445	2.1
99.08070	2.1
100.11246	2.3
105.07015	2.2
107.04942	1.4
107.08578	4.8
109.06511	3.5
109.10136	75.5
110.10470	1.7
111.00780	14.4
111.04411	1.8
113.06029	1.4
115.03933	2.0
115.05435	0.9
117.06949	0.9
119.04971	4.0
119.08553	5.6
121.06477	1.1
121.10148	2.0
123.04419	18.4
123.08063	1.7
125.05966	2.9
125.09673	0.9
129.01811	3.0
135.04396	1.1
137.05981	2.5
137.09592	100.0
138.09912	2.3
138.46222	0.8
139.03883	0.8
140.56607	0.7
143.03375	4.4
147.04379	11.4
147.07970	1.4
149.05925	1.9
149.09528	1.0
151.03870	20.5
151.89932	0.7
153.74896	0.9
155.10634	7.6
156.05629	1.1
161.05951	1.8
163.03897	1.5
163.07489	0.9
165.05476	7.4
165.09087	49.5
167.07019	3.6
171.02846	9.0
177.05464	3.3
177.09154	1.0
182.15282	0.8
183.10130	4.0
184.40947	0.8
187.07529	1.4
189.03947	0.9
191.07034	0.8
201.11159	1.9
210.14935	1.3
217.08493	0.9
219.10126	20.4
221.09749	1.0
235.13211	0.8
249.11220	1.4
259.86389	0.8
272.70651	0.7
285.07675	1.4
303.08710	3.0
325.12631	0.9
353.12473	3.5
371.13181	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	371.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01863	12.1
55.05497	4.1
57.03424	2.1
59.04981	0.7
63.44915	0.5
65.03937	1.6
67.05491	36.2
68.05809	0.6
69.03417	3.4
69.07050	2.6
70.81850	1.4
71.04983	7.3
73.04769	0.5
73.76641	0.6
77.03909	0.6
79.05466	5.7
81.03394	1.8
81.07040	26.1
82.07360	0.7
83.01325	6.0
83.04967	1.5
83.08614	1.1
85.02902	1.2
85.06552	0.5
87.04453	0.7
91.05426	5.4
93.03435	0.6
93.07027	8.4
95.01334	0.7
95.04962	5.9
95.08585	12.2
96.08928	0.6
97.02879	3.4
97.06524	1.3
98.75793	0.5
99.04456	3.2
99.08077	1.6
101.02344	0.7
101.05965	0.7
103.05528	0.6
105.07004	5.9
107.04917	2.7
107.08572	7.8
109.02901	1.3
109.06493	3.5
109.10135	70.4
110.10468	1.5
111.00784	12.6
111.01501	1.0
111.04427	1.5
111.08060	1.1
113.05968	0.9
115.03922	1.3
117.06988	0.8
119.04912	3.7
119.08555	6.0
121.02785	0.6
121.06496	1.3
121.10101	2.6
123.04400	18.7
123.05257	0.9
123.08088	0.9
123.11617	0.6
125.05962	2.1
127.03863	1.8
129.01825	2.7
131.04909	0.6
131.08566	0.7
133.10117	1.0
135.04427	0.7
135.07980	1.2
135.11659	1.6
137.05949	2.1
137.09587	100.0
138.09915	3.0
139.03914	1.9
143.03380	4.1
143.08540	0.7
145.10077	2.5
147.04376	11.5
147.07938	0.8
149.05956	2.1
149.09654	0.8
151.02661	1.0
151.03882	18.9
155.10626	8.2
157.06610	0.7
158.07278	0.6
159.08113	0.6
159.11656	0.6
161.05936	1.5
161.09526	0.8
163.03888	1.5
163.07477	0.8
163.11166	4.9
165.05443	8.0
165.09088	53.4
166.05905	0.7
166.09424	1.8
167.06995	3.0
171.02869	8.2
175.07541	1.3
177.05521	2.8
177.06805	0.7
181.04868	0.7
181.12173	0.7
183.10153	3.2
187.07408	0.6
189.03943	0.9
191.06996	0.6
191.10590	2.9
193.08502	1.0
201.11157	1.6
207.10083	0.7
209.11636	1.0
219.10141	16.4
220.10435	0.8
220.70833	0.5
231.10164	0.9
237.77228	0.5
249.05379	0.7
249.11192	1.3
250.06274	1.0
257.08093	0.7
263.07037	0.7
267.06619	0.5
293.07959	1.3
299.19901	0.7
303.08456	2.5
311.09055	0.7
321.11099	0.8
325.10315	1.3
353.10172	2.2
353.12491	2.4
353.23560	0.7
371.14587	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	371.1484
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.02370	0.8
53.03926	2.2
53.94645	0.7
55.01862	3.9
55.05492	2.5
57.03422	1.5
57.07083	1.0
65.03920	1.6
67.05492	10.0
68.99770	2.5
69.03414	2.7
69.07053	1.6
69.59029	5.9
70.06599	1.1
71.04980	1.6
77.03943	0.9
79.05478	8.5
81.03395	2.7
81.07043	21.3
83.01325	1.1
83.04955	2.4
85.02891	1.4
86.09669	0.7
91.05428	8.4
92.05762	0.6
93.07031	4.6
94.06598	0.8
95.04945	6.7
95.08592	6.1
97.02831	0.8
97.06499	1.1
103.05453	1.6
105.03358	2.3
105.07037	4.4
107.04924	2.6
107.08558	2.8
109.02856	2.2
109.06477	2.1
109.10136	13.9
111.00771	3.0
111.04406	0.8
115.05388	1.5
117.06996	1.9
119.04919	19.9
119.08544	3.6
120.08087	1.7
121.06479	2.1
121.08395	0.9
121.10117	1.8
123.04411	84.3
123.08026	4.6
124.04742	1.7
125.02353	1.1
127.03870	2.7
129.06929	1.9
131.04877	1.0
131.08539	2.1
133.06496	1.4
133.10092	2.5
135.04381	4.5
135.07994	1.5
137.02342	1.1
137.05952	4.4
137.09583	13.2
139.03882	5.5
141.05339	0.8
143.03381	1.3
143.04846	1.9
143.08557	1.6
145.06407	0.8
145.10080	2.3
147.04384	54.2
147.11737	0.6
148.04742	1.0
149.05968	6.3
149.09515	1.6
151.03877	100.0
151.11159	1.5
152.04243	3.2
153.05461	0.8
155.08554	0.7
155.10596	1.2
157.10054	1.5
159.11670	1.1
161.05971	5.6
163.03871	6.3
163.07520	2.0
163.11099	0.8
165.05450	32.3
165.09099	7.8
166.05774	1.3
167.07005	4.2
171.02885	2.0
171.11656	1.2
173.09558	0.8
177.05429	9.8
177.09082	1.8
179.07014	1.1
181.04987	3.9
189.05392	1.2
190.05986	0.9
191.06943	1.5
191.14270	0.8
193.04898	1.4
193.08586	2.3
201.09084	2.9
203.10690	1.5
207.06508	4.0
207.10165	2.1
209.15338	1.1
211.14749	0.9
213.16415	1.5
217.08665	0.8
219.10132	76.1
220.10442	5.6
231.10120	2.7
239.06989	0.8
249.11121	3.7
270.70758	0.8
285.07605	1.2
303.08560	14.0
303.11755	1.3
304.09030	1.1
335.22421	0.8
346.67886	0.8
353.13751	2.8
371.14890	13.3
371.25638	1.5
372.14783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1483
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
51.02364	1.3
53.03923	2.1
54.30304	0.7
55.01860	2.1
55.05492	2.2
65.03912	1.1
67.05500	3.8
68.99774	1.8
69.03419	2.0
69.07034	2.0
69.58050	5.7
77.03889	0.9
79.05488	5.2
81.03410	4.1
81.07042	8.4
83.04951	0.8
91.05444	9.3
93.03356	1.0
93.07017	2.9
95.04923	4.6
95.08602	3.8
103.05453	2.0
105.03368	1.7
105.06997	3.3
107.04959	3.6
107.08580	1.3
109.02857	5.0
109.10152	2.7
111.04386	0.7
115.05411	2.7
117.07023	1.0
119.04929	19.6
119.08604	1.5
119.76875	0.6
121.02832	1.0
121.06484	1.8
123.04408	100.0
123.07979	4.0
124.04767	1.7
125.02357	1.3
127.03874	2.0
127.69920	0.7
131.04889	1.6
131.08647	1.0
133.06450	1.5
133.10112	1.2
135.04387	4.0
137.02325	1.8
137.05922	2.2
139.03879	6.1
143.04863	3.6
145.10103	1.1
147.04381	62.8
148.04759	1.3
149.05951	32.8
149.09593	2.9
151.03876	67.2
152.04222	2.0
159.04428	1.1
161.05954	13.3
163.03899	6.6
163.07486	1.0
165.05450	45.5
165.09103	1.9
166.05826	0.7
169.05008	4.2
173.05882	1.1
175.03891	1.6
177.05434	10.7
177.09094	1.5
179.07019	6.3
181.04910	3.1
189.05394	3.6
191.10597	0.8
193.04938	1.7
195.10173	0.8
201.09033	1.8
203.06958	0.9
203.10500	0.9
205.04947	1.1
207.06496	10.9
207.10161	4.1
219.10130	86.3
220.10425	2.7
231.10184	2.2
249.11229	6.0
285.07492	1.6
303.08572	13.4
328.08972	1.8
329.10046	1.2
353.13892	5.5
371.14844	38.0
372.15170	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	371.1483
Annotation	Exiguaflavanone K
Peak:m/z	Relative Intensity
53.03906	1.3
55.01863	3.5
55.05492	3.1
65.03934	1.4
67.05495	4.0
69.07054	4.1
70.06581	1.2
71.70187	1.8
77.11620	1.1
79.03345	1.1
79.05489	6.6
81.03382	2.7
81.07043	12.1
83.04968	1.6
91.05408	7.8
93.07034	4.0
95.04966	6.5
95.08593	4.9
105.03384	2.6
105.07027	3.8
107.04932	2.8
107.08562	2.2
109.02861	7.5
109.06495	1.4
109.10123	3.5
111.04404	1.4
115.05446	2.2
119.04935	21.1
119.08538	1.9
121.06482	3.1
123.04416	98.2
123.08052	2.9
127.03912	2.3
128.65280	1.2
131.04927	1.5
131.08531	1.7
133.06477	2.1
133.10083	2.0
135.04414	2.6
137.02374	1.7
137.05968	4.1
139.03844	7.5
143.04933	2.1
147.04385	50.1
147.11646	1.6
149.05981	15.9
149.07080	2.2
149.09633	4.7
151.03888	65.8
159.04488	1.6
161.05989	10.8
163.03897	8.4
165.05460	35.1
165.09090	1.9
169.04935	11.6
171.86461	1.6
177.05449	15.4
177.09094	1.9
179.07037	4.1
181.04897	2.6
181.49979	1.3
188.20175	1.4
189.05479	2.7
201.09132	2.6
207.06570	4.6
207.10187	3.0
211.41742	1.2
219.10135	100.0
220.10509	3.3
225.31514	1.5
225.67239	1.3
231.10129	2.2
249.11224	5.0
285.07693	1.9
303.08560	10.4
327.16055	1.7
332.27902	1.5
353.13684	3.8
371.14874	30.3
372.15210	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	371.2059
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	1.7
55.05507	2.2
57.03428	2.6
57.07062	2.6
59.04958	0.9
65.03941	0.8
65.89204	0.7
67.05504	4.2
68.99772	0.9
69.03421	16.7
69.07050	3.9
69.59959	6.4
70.06576	2.2
71.04977	1.3
73.02902	0.9
73.04722	0.8
79.05489	4.0
81.03401	2.5
81.04499	0.7
81.07040	6.4
83.04969	11.8
83.08604	2.3
84.04510	0.7
84.08134	0.8
85.02891	7.3
85.06525	2.3
86.09714	0.9
89.06024	7.8
91.05397	2.3
91.05829	2.9
93.07031	5.2
95.04957	7.2
95.08592	8.5
97.02911	3.8
97.06513	2.1
97.10181	0.7
98.21485	1.4
99.04435	2.6
99.08091	0.8
105.07014	4.7
107.04935	2.1
107.08579	15.6
107.82688	0.7
109.02859	1.9
109.06507	7.3
109.10152	3.3
111.04425	1.6
111.08059	8.5
117.07020	1.1
118.06506	0.7
119.04929	1.6
119.08554	4.2
120.08144	1.6
121.06486	2.2
121.10126	10.5
123.04419	11.6
123.08029	4.9
123.11690	2.2
124.07600	0.9
125.09607	23.6
125.13183	0.7
127.03907	6.2
131.08546	6.1
133.07684	0.9
133.08589	3.9
133.10107	9.1
134.05908	0.7
135.04410	1.5
135.08026	18.6
135.11656	6.1
136.07565	0.9
137.05960	1.3
137.09621	1.2
138.05469	1.4
139.03880	12.4
143.08501	1.6
144.09380	0.7
145.04921	1.5
145.10146	3.9
146.06032	1.7
147.04408	5.2
147.06456	0.7
147.11682	3.5
149.06006	1.0
149.09610	12.7
149.13255	4.8
150.05473	0.9
150.10378	3.3
151.03891	6.6
151.11113	1.7
152.04625	0.9
152.07036	1.4
153.09102	9.8
158.10826	3.8
159.04398	0.9
159.08058	1.1
161.06027	0.8
161.09607	1.6
162.05482	1.8
163.03894	4.6
163.06267	0.8
163.11166	6.9
163.14793	5.3
164.06992	4.0
165.05464	2.5
165.07800	1.0
165.12717	1.9
167.06894	0.8
167.10680	1.4
170.00917	0.7
173.13231	22.7
174.13495	0.8
176.07062	1.4
176.11951	2.4
177.05373	1.1
178.04863	1.8
179.05711	1.1
180.06541	11.6
191.14285	95.5
192.06456	1.3
192.14651	3.4
193.07323	1.9
194.08099	1.5
198.67128	0.8
201.46053	0.7
203.08183	1.8
209.15341	100.0
210.15640	3.1
216.06705	0.8
219.07619	2.9
219.10129	2.8
222.07683	1.8
233.09258	1.0
285.00986	1.7
312.08618	1.2
313.09311	3.0
326.09979	0.9
331.10620	4.0
353.10794	1.6
353.19577	3.6
354.09473	1.6
355.06824	1.3
371.12378	9.4
371.16495	2.8
371.20581	17.5
372.11862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95807	1.9
55.05494	5.5
56.05005	5.8
57.07044	5.3
67.05482	8.2
68.05002	5.3
68.23620	1.8
69.07049	6.7
70.02940	3.4
70.06564	4.2
71.05746	2.6
71.06100	27.6
71.08607	4.5
72.04501	14.7
75.05585	3.7
79.05476	4.1
81.07029	8.5
82.02898	2.3
83.06122	2.8
83.08609	4.2
84.04501	18.7
85.04021	19.2
85.07642	5.0
93.07030	2.1
94.06541	3.6
95.08582	6.6
96.04465	9.6
97.10145	4.1
98.04761	2.1
98.06017	3.7
98.20641	3.7
99.05564	60.8
100.03957	1.8
101.05968	2.1
105.07006	2.1
107.08577	2.6
108.33478	1.8
109.10120	2.9
113.03481	20.1
113.07088	5.9
118.97639	1.9
119.08562	2.1
121.10100	2.5
127.05087	2.4
129.06572	4.7
130.61945	1.9
141.06570	14.3
150.10316	2.1
169.10040	1.9
175.01572	2.3
201.48528	1.8
228.99164	1.9
234.07149	1.8
251.23793	2.1
260.16962	1.9
268.26447	2.5
274.11136	2.5
296.25732	2.5
298.27509	3.5
314.26758	2.1
315.13535	3.0
325.27914	2.1
326.26901	10.5
334.60120	1.9
335.26889	7.8
353.27875	3.8
355.06433	2.1
371.29001	100.0
372.29416	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	372.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	19.0
53.20736	3.0
55.01867	4.4
56.05028	5.8
59.04989	3.9
61.02926	4.0
69.03419	7.0
69.10384	2.9
70.06578	11.8
71.04979	33.7
71.69703	5.1
73.15800	3.2
74.19461	3.3
79.05479	5.7
80.05034	3.3
81.03406	4.1
81.06991	3.2
82.06644	3.0
83.04966	3.9
84.04481	25.2
84.08133	4.8
85.02875	7.3
86.09708	6.9
86.60674	3.3
87.04450	3.6
89.03891	3.6
91.05834	6.3
93.07037	4.3
95.04943	9.9
95.69988	2.9
97.02860	3.2
103.05446	8.8
105.07019	5.3
107.04943	19.7
109.02838	4.2
110.06025	3.3
115.03913	4.8
115.05443	6.3
119.04944	8.2
120.08099	5.5
121.02882	4.2
121.06522	6.6
122.06041	4.9
123.03509	5.0
123.04406	100.0
124.03927	7.2
124.04756	4.0
124.07536	3.6
130.06497	3.5
131.04921	9.1
132.08118	4.1
133.02859	8.7
133.04930	20.9
133.06473	6.3
134.06042	4.8
135.04405	14.4
137.02304	7.3
137.05943	9.9
138.09076	3.6
139.03889	12.2
143.04929	3.6
145.02853	4.0
146.05974	4.8
147.04399	11.5
148.04915	4.5
148.07523	7.8
149.05948	8.6
150.05489	6.8
151.03860	15.1
152.06992	7.5
152.10699	7.3
158.06007	13.4
159.04404	4.6
160.07568	8.3
161.05965	12.9
162.05542	12.0
163.03877	34.4
164.07013	4.9
165.07935	16.8
166.08614	10.1
168.06459	4.4
171.02101	5.1
176.07011	30.1
177.05463	20.2
178.04881	4.8
178.08635	6.6
179.03363	18.6
180.06561	9.5
180.10188	10.9
181.05006	4.0
186.05432	15.8
187.03877	4.4
188.07040	7.4
194.08122	10.2
197.04546	4.8
201.05510	3.5
204.06548	48.3
205.04948	9.3
206.08180	5.0
222.07672	31.9
223.05986	10.9
240.08655	13.6
293.06543	6.1
315.05035	6.0
354.11908	22.4
355.07715	16.8
372.12939	22.3
373.18320	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	19.0
53.20736	3.0
55.01867	4.4
56.05028	5.8
59.04989	3.9
61.02926	4.0
69.03419	7.0
69.10384	2.9
70.06578	11.8
71.04979	33.7
71.69703	5.1
73.15800	3.2
74.19461	3.3
79.05479	5.7
80.05034	3.3
81.03406	4.1
81.06991	3.2
82.06644	3.0
83.04966	3.9
84.04481	25.2
84.08133	4.8
85.02875	7.3
86.09708	6.9
86.60674	3.3
87.04450	3.6
89.03891	3.6
91.05834	6.3
93.07037	4.3
95.04943	9.9
95.69988	2.9
97.02860	3.2
103.05446	8.8
105.07019	5.3
107.04943	19.7
109.02838	4.2
110.06025	3.3
115.03913	4.8
115.05443	6.3
119.04944	8.2
120.08099	5.5
121.02882	4.2
121.06522	6.6
122.06041	4.9
123.03509	5.0
123.04406	100.0
124.03927	7.2
124.04756	4.0
124.07536	3.6
130.06497	3.5
131.04921	9.1
132.08118	4.1
133.02859	8.7
133.04930	20.9
133.06473	6.3
134.06042	4.8
135.04405	14.4
137.02304	7.3
137.05943	9.9
138.09076	3.6
139.03889	12.2
143.04929	3.6
145.02853	4.0
146.05974	4.8
147.04399	11.5
148.04915	4.5
148.07523	7.8
149.05948	8.6
150.05489	6.8
151.03860	15.1
152.06992	7.5
152.10699	7.3
158.06007	13.4
159.04404	4.6
160.07568	8.3
161.05965	12.9
162.05542	12.0
163.03877	34.4
164.07013	4.9
165.07935	16.8
166.08614	10.1
168.06459	4.4
171.02101	5.1
176.07011	30.1
177.05463	20.2
178.04881	4.8
178.08635	6.6
179.03363	18.6
180.06561	9.5
180.10188	10.9
181.05006	4.0
186.05432	15.8
187.03877	4.4
188.07040	7.4
194.08122	10.2
197.04546	4.8
201.05510	3.5
204.06548	48.3
205.04948	9.3
206.08180	5.0
222.07672	31.9
223.05986	10.9
240.08655	13.6
293.06543	6.1
315.05035	6.0
354.11908	22.4
355.07715	16.8
372.12939	22.3
373.18320	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
53.03935	0.2
55.05500	0.3
68.97481	0.2
69.03413	0.7
70.06574	0.6
71.04974	0.3
79.05474	1.6
81.03406	0.6
84.08114	0.4
84.98793	0.2
85.02875	0.6
91.05815	0.4
95.04950	0.5
96.04435	0.4
97.02866	0.5
106.06535	100.0
107.06203	0.3
107.06872	2.2
109.02855	0.3
118.06523	1.2
119.04908	0.5
123.04408	2.7
124.04762	0.4
124.07570	0.6
126.05491	0.3
127.03922	0.4
128.07043	0.3
130.06549	0.3
135.04424	0.5
138.05487	0.4
139.03886	1.9
139.15613	0.2
140.04231	0.3
146.05952	0.4
147.04329	0.4
148.07480	0.3
151.03889	0.6
153.05447	0.3
158.73660	0.2
163.03853	1.2
164.04222	0.5
164.06992	0.7
165.05493	0.3
166.42451	0.2
169.87436	0.2
171.02084	0.2
176.06989	0.3
178.05051	0.8
179.03461	0.2
179.05338	0.3
180.06554	1.0
181.06850	0.5
192.06461	0.4
194.08107	0.3
204.06563	0.4
220.07985	0.3
222.07726	0.3
227.08522	0.3
330.09531	0.3
332.11020	0.3
354.11545	0.4
356.11081	0.3
372.12833	1.9
373.13962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05502	14.5
55.07467	0.7
57.07069	1.8
58.53502	0.7
62.57256	0.8
65.03951	1.0
67.05505	2.1
69.03426	1.6
69.07059	2.6
70.06580	4.1
70.27365	0.8
71.70238	0.8
72.08145	0.9
72.60963	0.7
79.05486	1.1
81.07051	2.8
82.06577	2.3
83.04962	5.4
83.08609	9.8
84.08141	2.1
85.02885	1.2
85.06546	2.1
86.09702	2.3
91.05481	3.0
93.07030	2.2
94.00775	0.7
94.06526	1.7
95.04953	2.6
95.08570	1.5
97.06509	2.3
98.06041	1.5
98.09653	1.3
100.07604	9.5
100.11242	30.4
101.06007	1.7
105.06992	1.1
107.04946	3.3
107.08598	1.3
108.04479	6.3
109.10175	1.3
110.06057	1.1
111.04421	12.4
112.07569	4.5
114.09156	3.4
119.04848	1.3
119.08606	1.1
122.06007	4.2
123.04401	2.1
126.09146	2.3
128.07051	9.3
129.05420	1.3
131.08522	1.0
137.05977	3.3
138.05464	1.2
140.07022	5.5
145.10023	1.1
146.06004	2.9
147.04381	1.6
147.11670	1.4
148.07536	1.4
150.05464	0.8
162.05464	0.8
166.05038	1.6
166.15836	0.8
167.07039	1.6
167.08516	1.0
168.06621	3.6
174.05484	1.6
175.11235	1.1
181.06470	0.7
182.15388	39.9
185.09584	1.4
188.03421	1.8
192.13802	2.0
193.12196	0.9
194.11775	1.0
196.11371	1.5
197.07001	1.0
197.10741	0.8
199.08778	0.7
201.05482	1.1
203.10561	0.9
204.02957	1.1
206.04382	0.8
206.08136	2.3
207.06587	0.8
209.16559	1.6
210.07797	1.4
210.14868	50.6
211.08630	9.4
211.12250	2.2
212.07523	0.8
212.09447	3.1
213.10219	1.9
221.10710	2.3
221.56906	0.8
222.03996	3.0
222.09203	3.6
222.11092	0.7
223.08710	1.8
224.08940	1.0
224.10748	3.1
225.06613	1.1
225.10220	9.4
226.10861	1.6
227.17586	3.7
228.15933	19.3
228.18080	1.4
237.10387	0.8
239.08121	2.6
239.11755	15.0
240.12457	1.6
241.09766	2.7
241.13472	0.9
245.18657	3.2
249.10179	1.5
250.08635	2.3
251.08215	2.4
252.09032	3.3
253.09726	9.1
254.10451	1.2
257.12802	1.2
262.07458	0.7
267.11273	18.4
268.11841	1.4
269.12729	2.6
278.08160	0.9
280.08365	0.9
281.09183	1.2
284.11414	1.1
285.12314	2.1
295.10736	8.5
299.10065	0.9
313.11774	47.9
314.12119	2.8
323.10312	2.0
337.21143	21.0
337.25058	1.2
341.11221	5.9
345.10822	1.3
355.12735	2.2
355.22211	15.8
359.12442	1.3
373.10510	5.0
373.13940	100.0
373.23767	4.0
374.10556	1.3
374.15491	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	373.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	11.3
55.05491	12.0
57.02124	2.7
57.03429	22.8
59.04977	3.0
67.05490	82.2
69.03421	54.3
70.74312	2.7
71.04976	11.0
72.89475	3.3
73.02925	3.2
79.05453	4.1
81.02932	4.8
81.03400	55.3
81.07038	12.9
83.04975	23.1
83.08601	7.0
85.02872	15.5
87.04433	4.8
91.05450	6.8
93.07029	4.7
95.05002	2.6
95.08598	6.8
97.02872	29.0
97.06490	2.9
97.10175	4.2
99.04444	10.3
105.07020	3.4
107.52246	2.6
109.02850	15.9
109.10138	69.6
111.04393	13.4
111.08045	6.0
117.07097	2.5
119.08589	6.4
125.09599	6.7
127.03889	26.1
129.05443	8.1
137.09589	5.5
145.04938	2.7
155.10641	6.0
173.11691	56.0
189.11197	7.4
211.13116	3.4
217.81689	3.1
229.14232	6.9
299.14798	10.3
312.21924	3.2
355.17438	6.2
370.46930	3.2
373.18506	100.0
374.18893	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	374.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01853	3.3
57.03418	3.6
61.02910	3.2
64.23692	0.8
65.03924	2.3
68.99792	1.2
69.03055	1.2
69.03415	14.4
70.16732	3.1
71.04967	1.7
73.02896	3.3
81.03399	11.1
85.02888	40.3
87.00333	1.3
87.00817	19.2
91.05463	100.0
92.05801	1.2
94.06536	4.3
96.04465	2.1
97.02876	15.2
99.04433	5.1
105.01846	24.2
105.07015	1.3
108.04488	2.3
109.02861	11.5
115.03932	1.3
117.01841	1.8
122.06014	15.0
127.03895	27.6
129.01811	1.3
129.06938	1.5
133.06445	1.2
143.08559	1.1
145.04926	10.4
145.06024	1.2
145.06430	1.0
147.02823	1.5
157.10210	1.1
159.02856	7.3
167.08585	1.7
171.07990	1.2
176.10675	1.0
189.03825	2.0
191.30855	0.9
213.03888	0.8
230.06664	1.1
231.04965	7.5
249.06004	1.4
254.15257	1.1
310.14240	1.3
319.47577	0.9
328.15393	3.9
346.16422	4.6
374.15930	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	374.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
55.01852	0.6
59.69580	0.6
67.05489	1.7
68.05022	0.6
69.03407	1.7
69.07047	0.6
70.06571	3.4
71.70113	0.9
79.05482	1.5
81.07035	0.9
82.06581	0.6
83.04920	0.6
83.81506	0.5
84.08172	0.7
85.02888	1.4
86.09672	1.0
91.05454	5.4
93.07028	2.1
94.06553	4.3
95.04966	1.3
95.08585	1.0
96.04483	5.1
98.06039	7.1
105.07005	3.8
107.04932	2.3
107.08573	1.1
108.05267	1.0
110.06026	6.7
117.07028	3.2
119.08549	1.2
122.06005	42.7
123.06868	1.7
124.03926	0.7
124.07578	6.2
125.00007	1.0
127.03898	1.1
128.06227	1.0
129.06998	1.8
129.10225	0.7
131.04956	0.6
131.08516	3.3
133.10127	1.3
137.06003	1.5
141.07011	2.3
142.07768	2.1
143.08522	6.0
145.06525	0.7
145.10091	2.8
147.08093	0.9
148.07483	0.6
150.09145	1.0
151.09927	0.8
154.07808	1.8
155.08484	0.9
157.10101	5.8
159.08080	1.4
159.11682	4.6
161.09702	0.8
163.07532	1.1
163.11145	0.6
167.07143	0.9
167.08530	14.4
168.08871	0.8
169.10101	6.6
170.07266	1.1
174.09048	0.6
176.14368	1.5
177.09109	2.0
185.07961	1.0
185.09589	18.7
185.11160	1.2
187.11104	3.6
194.11740	1.5
195.08032	0.8
202.15938	2.0
203.10616	2.9
212.12784	1.2
213.09111	2.0
220.16931	5.7
226.10501	0.8
231.10117	4.7
240.12106	1.0
241.09058	0.6
249.11189	8.9
254.09947	0.8
254.15498	0.7
264.13748	1.0
268.11627	1.3
282.15088	0.9
300.15936	3.3
302.17545	3.7
310.14322	1.8
314.12100	4.2
328.15372	3.8
342.11597	0.9
346.16406	9.2
374.15958	100.0
375.11945	0.8
375.16309	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	374.1593
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.02902	0.8
53.03933	1.2
53.17113	0.9
55.01848	1.8
60.30772	0.9
61.02925	1.0
65.03939	1.4
67.05467	1.5
69.03419	6.9
70.36072	3.9
70.87146	0.8
73.02914	1.2
79.05489	1.2
81.03401	2.2
85.02897	10.8
86.09694	1.0
87.00803	2.5
88.14559	0.8
91.04924	1.6
91.05465	23.3
94.06554	20.1
95.04967	0.9
96.04484	11.8
96.08125	1.5
97.02863	4.7
98.06027	3.0
99.04450	1.3
105.01834	5.3
105.07009	4.0
106.57935	0.9
107.04898	1.1
108.08102	0.9
109.02870	2.9
109.39157	0.9
110.06028	8.1
117.06995	1.6
119.08606	1.5
122.06009	82.2
124.07572	5.7
127.03892	10.1
129.06990	2.0
131.08519	2.0
133.10130	1.5
137.05966	1.5
138.09042	1.1
141.06941	1.1
143.08530	3.6
145.04918	5.1
145.06436	1.0
145.10088	2.2
148.07530	2.2
150.09070	1.3
153.07028	1.0
154.07716	1.4
155.08502	2.2
157.10085	6.4
159.02853	2.1
159.07983	1.0
159.11606	1.9
167.08530	8.0
169.10080	4.5
174.09167	1.5
185.09581	8.6
187.11206	1.5
190.08513	1.1
197.13116	0.9
203.10626	1.1
213.09158	1.6
231.04929	2.1
231.10216	1.6
249.05934	1.3
249.11121	2.3
253.12247	1.4
254.15378	3.4
256.17029	1.3
264.13913	4.4
266.15414	2.2
282.14816	3.2
300.15808	3.3
304.02020	0.9
310.14191	6.3
328.15387	26.3
346.16446	29.8
347.16980	1.8
374.15939	100.0
375.16132	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	374.1589
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.03933	1.0
55.05498	0.5
64.89959	0.4
67.05476	1.3
67.05840	0.4
68.01639	0.4
68.32763	0.4
69.03416	0.8
69.07052	0.8
70.06584	2.4
71.24944	1.2
72.08126	0.8
79.05469	1.3
81.03407	0.4
81.07044	0.9
86.09673	0.8
87.88139	0.4
91.05470	2.4
94.06552	32.9
95.04940	0.7
95.06844	0.4
95.08561	0.6
96.04485	7.1
96.08102	0.9
98.06021	1.4
105.07000	1.6
109.10202	0.5
110.06022	5.2
117.06993	1.2
122.06007	100.0
123.06384	1.4
124.07567	3.5
129.07002	1.1
131.08554	1.9
133.10155	0.8
136.07584	0.5
137.05971	0.5
138.09071	0.7
141.06956	0.6
142.07690	0.8
142.60414	0.4
143.08490	2.1
145.10123	0.9
148.07515	1.4
150.09087	0.7
154.07770	0.5
155.08559	0.9
157.10085	4.0
159.08040	1.9
159.11699	1.3
161.08316	0.5
161.09622	1.3
162.09114	0.5
162.22800	0.5
167.08530	6.2
169.10016	2.1
174.09145	0.8
185.09613	4.4
187.11169	1.0
188.10553	0.5
195.11659	0.6
200.10799	0.7
203.10574	1.0
207.11652	0.7
212.12889	0.8
213.09079	0.7
231.10213	1.2
249.11327	2.0
254.15440	1.2
255.10741	0.4
264.13742	4.7
264.16193	0.5
266.15463	1.9
278.18613	0.4
282.14877	1.8
284.16190	0.7
300.16028	1.5
310.14319	8.6
314.12253	1.9
328.15390	21.2
329.15833	1.0
346.16440	30.9
347.16919	1.4
374.15961	40.6
375.11783	0.8
375.16205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43675	0.7
55.01866	1.5
56.96555	12.0
58.99849	3.7
61.02910	1.3
69.03408	2.5
70.98098	0.8
70.99834	1.9
73.02882	1.2
77.00896	6.9
81.01824	0.6
81.03394	0.8
82.99858	2.3
84.08126	0.9
84.95995	1.8
85.02901	3.5
86.99335	1.2
89.00864	1.3
89.03891	1.7
91.02444	4.2
91.03939	0.8
95.01290	0.8
95.01929	3.0
97.02859	1.5
98.17433	0.7
98.97565	6.8
101.00864	20.0
103.02412	1.7
105.00359	3.7
109.03486	4.6
110.97590	0.8
112.99131	1.2
113.00858	2.8
115.02395	9.4
115.99249	0.8
116.02676	0.7
116.98595	6.1
118.01080	1.1
119.01899	100.0
120.01970	3.9
121.03488	2.2
122.33617	0.8
123.01373	0.8
126.98756	4.1
127.03899	2.0
128.98607	1.2
129.03963	1.8
131.00166	2.3
131.01874	14.2
132.01956	0.9
133.03447	34.9
134.03532	1.5
134.99559	4.0
135.04265	1.0
135.05135	1.0
137.02939	21.2
138.03023	1.0
141.00362	1.0
142.03491	4.4
143.00206	1.4
143.01883	7.2
144.99800	43.9
145.03523	6.7
145.99934	2.0
146.99599	2.2
147.01373	4.7
147.05077	3.7
149.01212	2.9
149.02936	12.0
151.04536	7.2
153.00574	1.5
154.98335	0.8
156.05084	1.0
156.99939	1.1
157.03520	1.8
158.99681	1.8
159.01373	10.0
159.05057	0.8
161.01277	2.3
161.02917	17.7
162.03056	0.8
163.00871	14.1
163.03940	5.2
164.04250	1.7
165.00653	1.0
165.02426	1.7
167.04008	2.6
168.01421	1.5
168.99808	19.7
169.99951	0.8
170.99860	1.2
171.01352	6.9
172.99300	12.8
173.02896	7.4
174.99287	1.2
175.00854	9.3
175.02422	1.2
175.04417	1.1
177.00826	2.3
177.02400	22.5
178.04944	0.9
179.03993	1.7
180.99818	0.8
185.02924	2.4
187.00842	48.7
188.01054	2.1
188.97134	0.7
189.00684	3.0
189.02383	18.5
190.98621	2.3
191.00314	15.7
191.02213	1.2
191.03947	10.7
193.01903	5.2
195.03442	5.6
196.00995	1.2
196.99297	5.5
199.00876	10.2
200.00948	0.8
200.04224	1.2
201.00644	2.0
201.02455	10.2
203.00336	2.8
203.02211	0.9
203.03975	3.5
205.00163	2.0
205.01891	18.6
205.03769	1.1
206.98122	1.6
207.03450	5.8
208.99615	0.9
210.02446	2.5
211.00839	1.3
212.04012	1.5
212.98810	4.6
215.00334	36.5
215.03816	1.6
216.00586	2.5
217.01915	19.7
218.02005	0.8
219.01765	1.7
219.03508	16.1
220.99710	0.9
221.05022	1.5
221.08455	0.7
223.01048	0.9
223.02959	9.5
224.98747	1.8
227.00345	5.8
228.03520	0.8
228.99826	1.0
229.01926	12.1
230.99908	4.1
231.03439	3.9
233.01549	3.5
234.02319	0.8
235.02905	2.0
237.00682	2.7
237.02702	0.8
238.01942	3.0
239.00246	0.9
239.04121	1.3
240.03612	1.2
240.98180	1.2
242.05112	1.6
242.99850	6.0
245.01399	13.2
245.04311	0.6
245.05118	0.9
247.02980	38.3
248.03177	2.3
248.99113	1.2
249.04636	0.9
251.02519	3.2
254.99713	9.4
257.01303	2.6
258.99496	1.8
259.02905	4.7
263.02557	1.1
265.04031	10.7
266.04358	0.8
267.00006	2.0
270.04657	4.4
270.99564	1.1
271.02829	1.1
272.06802	0.9
273.00790	16.8
275.02451	4.7
277.04129	4.0
281.01743	3.0
282.99179	1.0
283.05109	1.9
285.00940	2.8
285.04938	0.9
287.02435	4.0
289.00668	1.5
289.04056	2.1
291.02081	1.0
294.06061	1.0
296.02582	1.9
299.02243	1.2
300.05820	0.9
301.00354	13.2
303.02011	2.0
305.03632	5.2
315.01935	23.9
316.02051	1.2
317.03625	1.5
319.01453	3.6
324.01825	0.9
333.02988	17.8
334.03275	0.9
343.01343	9.4
343.05063	0.9
347.04544	1.2
356.04593	2.3
361.02487	8.7
362.02719	0.9
375.03922	4.1
393.05045	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
53.47268	0.2
54.67996	0.3
55.01851	1.0
55.71231	0.2
67.72636	0.2
68.99759	0.3
69.03420	2.3
69.07395	0.2
70.06567	0.5
71.04986	0.4
71.43266	0.4
73.02874	0.5
79.05486	0.3
81.03400	2.9
85.02895	4.1
87.00808	1.9
89.03880	0.4
90.04209	0.3
92.42652	0.2
97.02871	1.7
99.04428	1.0
105.01849	1.2
107.08613	0.4
109.02847	2.8
117.01826	0.3
117.03359	0.2
123.04455	0.4
127.03888	100.0
128.04211	1.4
135.04387	0.8
136.04872	0.2
139.03856	0.4
139.92819	0.2
145.04944	0.7
147.02893	0.3
149.09604	0.3
159.02864	1.4
163.03877	1.8
164.04228	0.6
173.01839	0.3
187.53056	0.2
213.03816	0.3
213.11140	2.0
222.07565	0.4
223.07932	0.6
231.04857	0.3
286.33383	0.2
375.06879	0.4
375.12531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26042	0.9
50.46614	0.9
62.15264	0.8
65.03930	6.9
65.48402	0.9
67.05489	2.3
68.99818	1.0
69.03406	1.1
69.07062	1.8
70.06585	2.8
71.04978	1.1
79.05484	2.6
81.07047	3.4
85.02896	2.4
85.06518	0.9
85.07671	2.6
91.05463	3.7
92.05000	4.2
93.07035	6.1
94.06555	4.2
95.04957	3.0
95.07333	4.5
95.08582	2.3
96.08112	8.5
98.21511	1.4
103.05471	1.6
105.07029	2.4
107.04971	2.2
107.08601	2.3
108.08100	11.9
109.02840	1.2
109.10148	2.3
110.09663	16.8
112.39315	1.0
116.04983	1.9
117.07040	1.2
118.06524	2.9
119.08567	1.3
120.04444	7.5
120.08098	9.4
121.06487	1.4
122.06002	6.6
123.04459	1.4
123.06337	1.3
124.03931	1.2
124.07576	2.0
133.10089	1.9
134.05991	1.9
136.07533	6.3
137.05969	2.8
137.09610	2.3
138.09116	17.7
143.08519	1.1
144.04422	5.7
146.05984	7.9
148.03908	100.0
148.07526	3.0
151.03891	1.6
154.08603	1.9
161.05872	1.3
162.05472	3.9
164.06973	1.5
165.09074	1.6
166.04977	36.6
166.08614	43.1
167.07048	2.4
167.08955	1.2
172.03903	18.3
190.04984	9.7
194.08086	1.2
204.06526	26.0
204.08342	1.7
222.07558	2.3
224.07314	1.1
227.08038	1.1
227.11816	2.2
241.09789	1.5
255.07924	1.8
255.11298	16.5
256.09409	1.9
257.12851	3.5
269.09079	1.2
273.12274	10.0
283.10745	13.7
297.11691	1.2
299.13879	2.6
301.11792	83.4
302.12109	3.5
315.09674	5.1
315.12640	2.2
319.12973	7.9
325.11853	1.8
329.15729	1.2
343.12762	11.3
347.16806	1.9
357.14474	2.0
375.15131	7.9
376.13983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2369
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03934	4.2
55.01867	6.6
55.05498	17.6
57.03427	8.5
57.07052	3.5
59.04985	4.8
61.02912	9.9
64.19710	1.2
65.03957	1.5
67.05496	9.2
67.45187	1.0
69.03416	30.3
69.06686	2.3
69.07055	38.3
70.06569	8.3
71.04977	13.8
71.08627	1.8
71.68072	1.7
73.02897	4.1
79.05470	8.5
81.03398	13.1
81.07041	34.0
83.01325	1.7
83.04971	12.3
83.08610	9.7
84.08147	2.0
85.02891	82.0
85.06530	21.2
86.09702	3.4
87.04017	1.2
87.04444	7.0
91.03935	5.3
91.05451	6.2
93.07032	16.1
94.76491	1.1
95.04948	2.9
95.08589	42.7
96.08901	1.3
97.02877	25.7
97.06500	5.8
97.10146	11.6
99.04453	5.7
99.08078	24.3
103.05392	1.2
105.07011	5.4
107.04967	1.7
107.08574	25.9
109.02859	7.7
109.06502	3.4
109.10127	20.5
111.08086	4.7
111.11690	7.2
113.05994	1.3
113.09623	7.2
115.05404	1.1
119.04873	1.0
119.08569	3.5
120.08071	2.2
121.06487	2.3
121.10125	35.8
121.10989	2.5
123.04438	1.8
123.11687	10.8
125.09596	7.5
127.03909	19.2
129.12808	1.8
131.04903	2.5
133.10104	2.9
135.08069	1.8
135.11671	21.7
137.02303	1.2
137.05969	8.5
137.09624	1.8
137.13210	21.4
139.03975	1.7
139.11163	8.7
143.45256	1.1
145.04918	16.3
145.10101	1.6
147.11568	1.1
149.13228	6.5
151.03874	10.7
151.14807	4.5
153.12708	14.0
158.06020	2.1
159.07910	1.7
159.11681	1.9
161.13147	1.5
163.07492	2.4
167.07014	3.9
173.24857	1.4
177.16354	100.0
178.16733	4.9
187.79131	1.5
195.17409	39.6
213.18454	43.0
214.18884	2.0
218.08084	4.7
224.06981	1.4
227.08090	3.6
228.08757	1.7
229.15518	1.8
255.07542	1.6
264.92639	1.1
269.09161	1.6
269.11755	1.6
287.12842	4.0
301.07126	1.3
315.09714	3.9
317.06461	1.7
333.07852	1.7
343.09320	1.4
375.11810	5.1
375.18222	3.5
375.23370	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.5
54.54187	3.0
55.01860	12.2
57.03432	16.4
61.02909	12.1
65.85939	2.8
69.03418	40.9
69.54120	29.7
70.06572	12.3
71.04980	9.8
73.02893	8.4
81.03407	32.4
85.02896	98.9
87.00827	29.7
90.90897	3.0
91.03936	3.5
97.02320	4.6
97.02886	50.5
97.91096	2.8
99.04446	20.6
100.64106	2.8
105.01846	36.9
105.06982	5.1
108.04484	9.3
109.02860	36.3
117.01853	4.5
123.04380	10.7
124.07576	9.5
126.05449	4.0
127.03903	100.0
129.01849	3.8
135.04405	5.2
137.05928	4.7
138.09128	8.0
145.04945	65.6
147.02885	8.1
147.04384	4.7
159.02853	26.0
161.05960	4.9
163.03934	4.4
172.08708	22.8
175.03897	3.2
177.05417	8.8
187.07431	3.3
191.06992	11.9
198.06699	4.3
207.06409	5.6
208.09729	10.4
214.14369	29.3
216.07651	11.5
224.09148	7.7
231.04977	23.2
243.08766	55.7
249.06241	3.9
331.11481	4.4
358.12766	5.4
376.13730	10.7
377.14529	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	7.3
56.05020	9.9
57.07053	5.7
58.02945	3.8
58.06566	2.2
58.53514	1.5
60.04515	54.8
67.05476	3.8
69.03426	12.5
69.07053	8.8
71.08628	1.4
71.67905	2.6
79.05450	2.2
81.07034	3.5
83.08593	5.5
86.06051	14.1
88.07613	2.1
93.06998	3.3
95.08577	3.0
97.10144	2.9
103.84743	1.8
104.07088	86.9
118.04949	3.2
121.10125	3.1
122.08119	27.3
133.31259	1.7
135.11615	1.9
139.25880	1.5
180.36639	1.6
211.41411	1.6
219.29405	1.6
264.26788	3.6
272.25900	2.1
282.28015	4.1
340.28366	5.8
358.29453	100.0
359.29791	9.4
376.26132	2.3
376.30524	10.5
376.36664	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1447
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
51.42017	0.4
53.03914	2.2
55.01852	0.8
57.03429	7.5
59.04972	0.5
61.02671	0.4
61.02916	4.5
67.05501	0.6
69.03419	15.2
70.06577	1.3
71.01340	2.7
71.04983	3.9
71.63751	1.2
72.35328	0.5
73.02894	2.3
75.04469	3.0
76.87387	0.5
81.03397	4.6
85.02889	1.0
87.04427	0.6
91.05459	0.6
97.02869	0.8
99.04440	5.7
109.02851	0.7
117.05439	1.2
118.69740	0.5
123.04398	2.3
127.03871	1.1
130.06506	0.8
137.05907	0.7
139.03854	2.3
145.07549	2.1
147.04411	0.5
151.03912	0.6
159.09198	0.6
161.05951	0.6
170.07054	1.6
172.08675	34.2
173.08977	0.5
174.10225	0.9
184.08742	0.6
190.09697	2.0
198.06601	7.5
200.08162	4.7
214.09743	1.2
216.07652	17.6
218.09219	0.7
243.08743	75.1
244.06886	0.8
244.09180	1.2
316.12759	0.5
318.31494	0.5
331.11502	0.7
359.13284	2.9
377.14493	100.0
378.14999	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	377.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89998	2.1
54.54686	2.3
55.01862	6.0
55.05497	7.1
65.03937	2.9
67.05486	9.6
69.03406	7.9
69.07056	5.4
69.80378	17.5
77.56323	2.8
79.05469	10.8
81.03391	15.8
81.07043	13.4
83.04960	6.7
85.02896	5.5
91.05467	11.3
93.07016	10.9
95.04941	12.6
95.08578	8.8
97.02863	2.3
99.04408	2.4
103.21009	2.2
105.07006	14.9
105.15221	2.5
107.04929	3.8
107.08585	3.3
109.02870	3.1
109.06520	4.4
109.10148	5.7
117.06985	6.4
119.04926	3.0
119.08553	8.0
121.02830	17.5
121.06488	8.3
121.10165	2.8
123.08064	2.7
125.27552	2.7
131.08548	18.4
133.10117	4.5
135.08005	4.5
137.05960	5.5
141.06982	6.7
143.08536	10.0
145.06529	6.2
145.10022	5.4
147.11690	3.1
151.07561	3.0
155.08510	3.6
157.10095	7.5
159.08029	51.0
159.11627	5.7
161.09590	6.6
161.13156	2.9
165.07014	3.1
167.08540	10.1
169.10120	4.1
171.08017	4.5
173.09593	3.9
177.09030	6.3
179.08583	3.9
181.10123	6.0
183.08076	4.3
185.09630	5.0
191.10674	6.3
192.09271	4.8
193.10338	2.7
197.09590	4.7
197.13220	2.9
199.11140	4.1
207.11697	10.0
211.11099	7.2
217.10133	6.4
217.12158	2.6
220.08707	4.4
223.11110	3.0
225.12732	11.6
235.11177	13.8
251.10596	4.0
253.12215	21.9
281.11630	3.0
285.14749	5.5
297.11331	3.5
303.89456	2.7
313.14294	11.2
331.15356	100.0
332.15631	8.9
333.13297	31.6
360.11743	6.0
377.17981	5.1
377.23727	4.4
377.28149	5.4
378.15427	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	378.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58829	0.8
67.05482	2.3
69.53288	8.0
77.66637	0.7
79.05482	2.9
81.03411	2.0
81.07037	3.6
83.04956	1.5
86.09698	0.9
91.05459	6.7
92.44995	0.8
93.07016	1.5
97.02883	0.9
99.04436	1.6
105.07004	3.9
107.04942	0.8
107.08591	2.0
109.02862	2.8
109.06506	1.1
111.04446	4.3
115.05471	0.9
117.06974	4.1
118.11784	0.8
119.08554	4.2
124.60099	0.9
128.06213	1.5
129.07004	1.4
131.08568	4.0
133.10109	9.2
135.07965	1.1
137.02332	4.4
139.03853	2.0
141.06923	2.1
143.08502	6.3
145.06447	1.1
146.59912	0.8
153.06985	1.3
155.08522	2.9
155.48222	0.8
159.08014	10.8
161.09592	20.7
161.10861	1.6
163.07489	3.0
166.07741	1.1
167.08542	3.0
168.09259	1.2
169.06554	0.8
169.10022	1.4
171.08076	0.9
172.08783	1.0
177.09068	2.0
179.08536	2.9
181.08676	1.4
181.10106	5.3
183.11679	1.1
190.07710	1.1
192.09279	2.7
195.11658	3.5
197.13254	1.4
199.07561	1.3
199.09436	1.3
205.08514	3.3
205.10114	7.3
207.11685	5.4
209.13274	1.2
209.23936	0.9
223.11134	5.9
225.12659	1.3
227.10651	11.8
228.11008	0.9
229.12189	1.1
233.09564	2.9
235.11159	1.3
239.11374	1.2
241.12248	4.2
251.10638	11.6
253.12254	4.8
255.10049	2.5
269.11664	8.9
271.13202	1.5
273.11221	2.9
297.11200	2.0
315.12207	100.0
316.12598	5.7
333.13290	12.4
361.12759	84.4
361.16101	1.8
362.13126	7.1
378.15231	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	378.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
57.02119	0.9
67.05495	2.1
69.03401	0.9
69.52720	4.9
69.53148	3.3
71.52917	0.9
77.75105	0.9
79.05477	3.2
81.07040	3.5
83.04980	1.5
85.02865	1.8
91.05463	6.8
93.07030	2.1
97.06458	1.0
97.50246	0.8
99.04455	2.2
105.07027	5.0
107.04935	1.3
107.08610	1.7
109.02895	1.5
109.06472	2.7
111.04446	4.0
117.07009	6.2
119.08565	4.1
125.05979	1.2
129.06982	2.3
131.08536	5.1
133.10136	5.1
135.04367	0.9
135.08067	1.8
137.02356	3.0
137.05957	2.5
139.03876	1.4
139.07495	1.1
141.06952	2.3
143.08578	6.1
145.06483	1.2
145.10065	1.7
149.05936	1.1
153.06886	1.1
155.08517	3.7
157.10112	1.7
159.08038	8.7
161.09602	11.5
163.03896	1.1
163.07535	1.5
165.06985	2.4
166.07793	2.4
167.08528	3.8
168.09312	2.1
169.10146	2.9
171.08043	1.4
172.08765	1.4
177.05464	1.3
177.09055	0.9
179.08545	3.6
180.09305	1.6
181.06432	0.9
181.10065	5.3
183.07994	1.3
183.11751	2.0
190.07547	1.0
192.09225	2.4
195.11679	5.5
197.09625	1.0
197.13226	2.0
199.11223	2.0
205.08516	2.9
205.10147	10.2
207.11676	5.7
209.09547	2.2
211.11191	1.2
213.12675	1.7
223.11169	6.6
225.12726	1.1
227.10654	9.3
233.09650	3.6
239.11385	3.9
241.12186	12.7
251.10626	10.7
253.12202	3.7
255.10136	2.6
269.11664	13.6
273.11090	2.5
287.12790	3.7
297.11026	4.1
315.12210	62.8
316.12643	3.4
333.13260	100.0
334.13644	5.1
361.12753	47.0
362.13123	4.3
378.15469	19.7
379.15521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62511	1.6
53.03937	8.4
53.39972	1.4
54.85124	1.7
55.01863	1.7
65.03922	1.5
67.05489	3.2
70.01815	8.1
70.06573	2.4
74.89152	1.5
79.05477	5.2
81.03405	25.1
81.07049	1.8
88.56908	1.5
89.82813	1.7
91.05453	8.1
93.07040	2.0
94.70465	1.4
95.04990	3.8
97.02874	6.3
98.21353	2.4
105.07027	6.8
107.04962	2.5
109.02850	34.6
111.04430	4.5
117.06994	5.5
119.08518	1.8
121.06504	3.2
123.04417	4.4
128.06187	2.0
129.06958	4.1
131.08554	11.5
133.10114	6.4
135.04390	6.4
137.02351	3.8
137.05998	2.8
139.03886	1.9
141.06950	3.7
142.07753	3.0
143.08527	10.8
145.06421	2.5
145.10095	4.2
147.08040	4.4
148.07495	2.1
149.06029	1.8
153.06938	2.4
155.08533	5.3
157.06445	2.0
157.10088	4.4
159.08018	26.5
160.08781	8.1
161.09599	38.4
162.05495	3.3
162.10378	5.4
163.03917	6.8
165.06964	4.1
167.08551	4.8
168.09172	1.9
169.10138	6.0
173.05936	1.9
177.09120	2.1
179.08533	3.6
180.09360	2.5
181.10130	3.4
183.08009	1.8
185.09630	5.2
186.05527	4.4
187.07500	6.1
187.11194	3.0
194.09654	1.8
195.08076	2.1
195.11655	16.7
197.09627	2.0
204.06578	3.6
205.08562	5.1
205.10196	2.8
206.09331	18.6
207.11584	2.2
209.09653	1.8
213.12735	2.9
223.11227	10.8
225.12814	2.0
227.10666	2.7
231.10020	3.9
233.09677	1.7
241.12186	10.8
246.50992	1.7
251.10675	18.1
251.49641	2.0
253.12096	2.0
259.13196	2.2
269.11630	16.4
279.10150	3.0
287.12463	2.9
297.11157	24.0
298.11404	2.7
309.51468	1.9
315.12207	100.0
316.12601	7.7
333.13272	53.7
334.13547	3.5
350.13098	2.2
360.14569	2.0
361.12704	3.2
378.15741	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	378.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.05501	1.2
60.04181	1.2
60.04492	1.7
67.05493	4.8
69.03426	1.6
69.07061	1.6
70.06556	2.7
70.13273	2.3
70.13685	5.3
79.05478	2.5
80.04996	1.3
81.03407	25.1
81.07053	2.7
83.01366	1.7
87.50308	1.2
87.89420	1.1
91.05467	8.6
93.07036	2.4
95.04955	1.5
97.02882	6.8
102.05556	1.2
105.07009	7.6
107.04932	2.6
109.02863	41.8
111.04442	4.5
112.02208	2.0
117.07017	5.2
119.08582	2.3
121.06501	3.5
123.04384	2.6
128.06291	1.5
129.06996	5.8
130.03244	1.8
131.04935	2.5
131.08546	12.5
133.10112	5.0
135.04401	8.0
135.86873	1.2
137.02275	2.7
137.05885	2.0
139.03891	1.6
141.06969	4.3
142.07744	3.5
143.08527	10.6
143.63522	1.1
145.06450	4.4
145.10120	5.3
146.37115	1.3
147.08041	3.0
153.06987	1.7
155.08505	4.8
157.06537	2.0
157.10094	5.9
159.08026	28.2
160.08788	9.0
161.09602	41.6
162.05479	1.5
162.10374	8.3
163.03876	4.0
165.06978	4.0
166.07596	1.4
167.08563	5.7
168.09288	2.5
169.10115	5.3
171.08047	1.6
173.09570	1.5
175.07440	1.8
177.09088	3.3
179.08508	3.6
180.09392	3.2
181.10167	5.0
183.08044	1.6
185.09616	6.3
185.75458	1.4
186.05478	2.6
187.07539	5.6
187.11223	2.4
192.09200	1.5
195.08092	1.6
195.11646	20.3
199.07492	1.4
199.11041	1.6
203.10742	1.5
204.06731	1.3
205.08380	6.4
205.10136	3.7
206.09337	22.5
207.11667	2.4
208.08925	1.8
209.09642	1.6
213.09021	2.8
213.12726	3.0
215.10585	1.4
223.11192	12.4
225.12752	2.4
227.10588	1.6
227.43810	1.2
231.10132	1.6
233.09627	3.7
241.12163	12.7
249.10979	1.6
251.10620	18.4
253.12132	2.4
259.13388	1.4
269.11703	19.2
279.10172	2.6
287.12796	3.1
297.11172	23.1
315.12210	100.0
316.12515	6.5
332.11890	1.9
333.13272	55.6
334.13498	2.3
350.12973	1.8
360.14514	2.6
361.12650	1.7
378.15527	2.9
379.08157	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	378.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
56.47922	1.1
67.05486	2.0
70.06574	1.8
71.18419	3.0
71.18756	1.2
78.11608	1.3
79.05479	3.9
80.05029	1.5
80.79989	1.3
81.03414	28.8
81.07030	3.6
91.05464	13.0
93.07029	3.4
95.04919	1.2
97.02872	9.8
105.07025	7.7
107.04880	1.9
108.05716	1.8
109.02863	46.7
111.04402	4.6
112.02157	4.5
115.05415	2.6
117.06984	5.8
119.08545	3.9
121.06518	3.3
123.04406	2.8
128.06221	1.7
129.06972	7.3
130.03194	3.4
131.04965	1.4
131.08543	12.9
133.06531	1.6
133.10109	5.1
134.07286	2.2
135.04362	7.9
137.02304	2.7
137.06018	2.1
139.03868	1.8
141.06998	3.9
141.23059	1.1
142.07751	2.7
143.08530	14.3
145.06456	4.8
145.10095	6.3
146.07164	1.9
147.08011	5.3
149.05948	1.9
154.07623	1.3
155.08513	5.1
157.10112	6.7
159.08031	35.4
160.08829	11.3
161.09604	47.6
162.10310	5.5
165.06990	5.0
166.07695	1.3
167.08542	9.1
168.09277	3.5
169.10115	5.8
171.08043	1.9
177.09032	3.5
179.08499	3.8
180.09328	3.8
181.10075	7.2
185.09659	7.3
187.07538	5.3
192.09229	2.3
195.11670	19.7
197.09569	2.0
197.13188	2.6
199.07494	2.0
203.10614	2.1
205.08525	5.7
205.10146	4.2
206.09334	22.4
207.11682	4.4
208.08830	2.6
213.08934	1.9
213.12686	4.3
215.10614	2.3
216.08731	7.7
218.07643	1.4
218.10147	1.4
223.11108	13.3
225.09074	2.5
225.12671	1.9
231.10155	3.2
233.09618	4.5
240.08817	1.9
241.12180	17.0
246.09863	2.3
249.11169	2.0
251.10606	23.0
253.12209	1.9
259.13333	2.5
269.11670	20.6
279.10089	3.4
286.09201	2.0
287.12741	5.3
297.11188	24.5
297.14496	1.3
298.11627	1.4
315.12204	100.0
316.12650	4.7
333.13297	56.8
334.13651	1.8
350.67648	1.9
360.14212	2.3
378.15488	5.2
379.13632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
55.05497	0.8
58.36032	0.7
61.02911	1.3
61.14196	0.8
65.03927	0.8
67.05479	2.9
69.03391	1.0
70.06575	1.0
71.05099	1.9
79.05479	14.1
81.03391	11.0
81.07039	2.5
83.04966	1.4
84.57124	0.7
91.05463	7.2
93.03384	1.2
93.07034	4.3
95.01308	2.9
95.04963	6.8
95.08568	1.5
97.02896	1.2
97.06480	1.7
97.52527	0.7
103.05428	1.2
105.03367	3.8
105.06993	6.3
107.04932	3.7
107.08562	3.7
111.04407	1.7
115.05480	1.0
117.07001	2.8
119.04903	2.2
119.08553	9.3
121.02832	10.7
121.06480	6.2
121.10126	3.4
123.04445	4.2
125.05970	2.5
128.06256	0.8
129.06990	3.2
131.04869	1.2
131.08533	6.8
133.06465	2.4
135.08049	2.3
137.06010	1.2
141.06938	1.7
143.08531	4.0
145.06442	6.4
145.10081	2.4
146.07243	3.5
147.04433	1.2
147.08022	51.6
148.08356	0.9
149.05966	3.0
153.06970	1.9
155.08534	4.6
157.06464	1.7
157.10086	2.2
159.08029	9.2
161.05933	1.6
161.09599	1.3
163.07555	2.3
164.08328	1.0
165.05531	1.2
165.06989	3.3
166.07756	2.1
167.07072	1.3
167.08528	2.2
169.05066	1.3
169.06418	1.9
169.10086	1.9
171.08023	2.9
171.11668	2.3
173.05927	1.3
173.09605	2.4
175.07529	1.7
177.09093	2.1
179.08527	1.8
180.09341	1.8
181.06551	1.1
181.10107	5.4
183.07918	3.7
183.11702	1.7
185.05838	0.9
185.09544	1.6
187.07544	1.5
191.07014	2.5
191.08568	1.3
192.09305	2.1
193.08603	1.0
194.07228	1.6
195.08073	2.2
195.11673	5.4
197.09586	2.2
199.11133	10.9
201.05415	2.0
201.09103	1.6
201.12672	1.0
205.10124	1.7
207.08083	0.9
207.11746	1.4
208.08755	1.8
209.09573	6.1
211.07545	1.5
211.11064	3.8
213.12625	1.1
218.94011	0.8
223.11143	10.6
225.09056	1.8
225.12651	5.1
227.10605	12.2
229.08664	1.7
229.12158	0.9
233.09503	5.4
235.11174	1.5
236.08307	1.3
237.09160	1.4
239.11035	1.0
241.08455	1.1
241.12160	6.0
245.11813	1.5
247.09424	1.2
251.10670	12.8
253.12114	2.7
255.10088	4.5
257.11789	1.0
265.10712	1.9
269.11703	12.4
273.11182	14.5
279.10135	6.9
287.12799	4.5
297.11151	22.5
301.53336	0.8
302.87720	0.8
315.12201	80.4
316.12552	4.6
325.10681	1.7
333.13269	100.0
334.13654	5.9
343.11731	5.3
361.12720	4.8
378.15421	57.6
379.15912	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	379.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.6
55.05492	17.3
57.03410	14.7
58.06604	4.9
62.48887	4.0
65.03912	4.1
67.05487	13.4
68.99762	4.4
69.03425	25.8
69.07042	12.5
71.01336	8.6
71.04981	73.1
71.69357	7.3
73.02909	4.7
79.05469	11.9
81.03398	9.3
81.07050	21.4
83.04500	8.0
83.04971	100.0
83.08578	6.0
85.02885	59.1
85.06509	4.8
87.00805	19.9
87.04462	8.0
91.05449	10.1
93.07027	12.9
95.04945	11.6
95.08589	20.4
97.06520	7.6
99.04431	15.9
105.01841	17.6
105.07018	18.6
107.04922	8.9
107.08556	11.7
109.06504	6.2
109.10147	12.4
111.04428	86.1
113.06040	5.4
117.06995	5.0
119.08562	10.5
121.06466	11.1
121.10081	9.6
125.02344	5.2
127.03873	6.4
129.05453	55.6
129.06953	5.8
131.08528	5.6
133.10040	11.3
133.43283	4.7
137.05977	7.2
143.08566	6.5
145.10100	9.4
153.05463	39.8
155.08536	4.5
157.04895	12.2
157.10115	5.0
159.11681	6.9
161.06013	4.4
163.14818	5.4
171.06535	5.5
171.11699	7.2
183.11742	4.8
184.31319	5.1
189.12718	4.5
197.13280	5.2
201.16281	4.7
215.05510	24.3
221.08177	4.7
221.43990	4.8
233.06496	9.6
239.09035	14.4
292.00000	5.2
379.21280	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.7
55.05496	11.4
57.03421	24.0
67.05502	21.4
69.03422	100.0
71.04980	24.9
71.68932	12.6
72.08135	12.9
75.88220	10.3
77.71828	8.6
79.05485	11.2
81.07047	27.6
83.04955	76.5
85.02890	64.7
86.06862	11.4
87.00812	14.6
91.05458	12.4
91.48215	8.1
95.04965	20.7
95.08597	13.0
99.04448	23.4
105.07019	20.8
107.08548	13.4
111.04421	75.5
113.05990	9.7
121.02852	22.1
125.09678	10.9
129.05463	43.0
132.10175	15.2
153.05431	22.9
157.04958	16.5
157.10159	10.3
201.62453	10.8
205.86871	9.4
224.30173	9.8
233.06636	8.8
244.15628	8.3
286.27707	12.0
378.28140	11.6
378.32407	23.9
379.15338	11.7
379.24847	13.0
379.28973	39.7
379.32590	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	379.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98989	3.5
55.05492	7.7
56.05033	5.3
57.03429	9.3
57.07069	5.2
58.06577	15.5
63.98621	4.3
64.85568	4.1
67.05475	8.5
69.03400	15.8
70.06567	6.4
70.77580	12.1
71.01335	5.9
71.04983	38.2
72.08142	19.0
79.05472	8.1
81.07069	9.3
83.04513	5.0
83.04970	60.4
85.02885	47.9
87.00809	14.2
87.04451	6.4
89.06008	4.5
91.05480	6.1
93.07015	5.5
93.97324	4.3
95.04965	6.8
95.08581	7.1
97.06545	4.3
99.04443	5.9
100.07571	4.0
107.04926	4.7
109.06458	5.3
109.10186	4.4
111.04417	49.3
112.52591	4.5
121.06487	4.8
125.09615	4.3
129.05460	33.5
132.10181	66.4
133.10516	4.8
153.05461	21.6
157.04945	4.6
171.06546	6.4
206.13971	4.0
210.13434	4.3
215.05518	19.3
233.06442	4.9
239.09091	8.3
247.25932	4.2
275.32748	4.2
286.27368	47.3
287.27676	33.3
378.32141	100.0
379.32629	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	32.2
56.86733	6.9
57.03422	14.7
62.51659	7.0
67.05480	23.6
67.84225	6.7
69.03416	100.0
69.07050	10.0
71.04993	46.9
71.67851	7.6
79.05475	17.5
81.03397	10.9
81.07027	42.4
83.04964	78.7
84.08084	7.4
85.02892	72.1
87.00811	12.8
88.77824	6.9
91.05463	13.8
93.07028	16.2
95.04940	34.1
95.08589	24.4
97.02960	7.6
97.10102	7.5
99.04441	27.4
105.01832	13.2
105.06999	19.8
107.08566	20.2
109.06479	12.5
109.10107	12.8
111.04420	76.7
113.05980	20.7
116.65250	8.5
118.63610	6.9
119.08562	18.7
120.67003	7.6
121.06506	9.9
121.10168	10.5
125.05929	9.4
127.03898	9.9
129.05452	76.1
137.05998	8.5
143.08513	8.2
145.10030	12.2
149.13268	7.9
153.05397	15.5
157.04958	15.7
159.11745	11.6
195.06483	9.4
209.13300	8.2
239.09128	21.6
249.59004	8.6
257.10355	9.5
379.25928	9.8
379.29938	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	379.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	28.4
57.03432	11.8
67.05488	15.5
69.03423	100.0
69.07050	16.2
71.01342	13.3
71.04984	46.3
71.69447	9.4
79.05472	23.5
81.03396	9.2
81.07042	37.4
83.04971	83.6
85.02900	70.0
87.00809	16.6
91.05466	21.5
91.93282	8.1
93.07009	29.1
95.04940	26.0
95.08595	14.6
97.06463	12.1
99.04439	20.4
105.01833	11.3
105.07022	21.4
107.08577	40.3
109.06494	16.7
109.10148	20.8
111.04417	85.7
115.74683	9.7
119.08540	13.2
121.10136	9.2
123.04369	9.1
129.05481	76.0
139.90950	8.5
145.10069	12.8
147.11551	9.1
149.13258	14.5
153.05444	21.7
157.04964	19.1
157.10081	9.7
159.11638	16.8
171.11555	12.7
179.06969	14.9
233.06564	10.0
239.09091	15.7
276.58289	8.2
303.17719	9.3
387.01874	8.6
400.23480	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	380.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34033	0.5
67.05482	1.7
69.03403	0.7
70.06904	0.9
70.07324	2.2
79.05478	1.5
81.03400	5.1
81.07027	1.4
91.05458	2.2
93.03365	1.2
93.07018	1.4
95.04961	3.8
95.82990	0.5
98.21398	0.6
105.07009	1.4
107.04915	1.0
107.08594	0.6
109.06483	0.8
117.06947	1.4
118.73397	0.5
119.08556	0.6
121.02836	6.6
121.06491	1.8
129.06961	1.1
129.61145	0.5
131.08521	4.0
133.10092	1.3
137.84706	0.6
141.06960	1.7
143.08553	3.4
145.06470	2.0
147.04414	0.9
149.09633	0.6
155.08530	0.7
157.10130	0.9
159.08015	18.2
161.05905	0.9
161.09608	2.2
165.06880	0.8
167.08493	3.1
168.06526	0.6
169.10056	1.2
171.08064	1.1
177.09090	2.3
179.08498	0.5
181.10095	1.3
183.11694	0.6
185.09590	1.2
187.07523	0.8
189.09120	0.6
192.09317	1.8
193.10107	1.1
195.08017	0.8
197.09581	1.2
197.13199	1.1
202.07689	1.1
203.10576	0.5
205.08525	1.6
207.11620	4.0
209.09683	0.9
211.11118	2.1
217.10066	2.2
219.11536	0.5
220.08679	1.1
225.12755	4.2
235.11140	7.5
253.12199	6.8
254.12491	1.1
271.13202	4.5
281.11713	3.8
284.24567	0.6
299.12714	4.0
317.13773	100.0
318.14178	5.2
335.14832	32.0
335.18091	0.6
336.15152	2.2
363.14459	0.9
380.17401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01360	2.1
63.79203	1.9
69.51511	2.2
71.60337	3.9
72.09803	2.6
75.64887	2.0
84.59988	2.2
88.56680	2.3
104.30540	2.1
154.06966	2.5
201.01596	3.5
217.99428	2.6
219.02655	4.6
381.07883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39856	0.5
56.96555	7.2
57.46686	0.5
61.02910	0.6
70.06444	1.1
70.06848	1.8
70.98106	0.9
73.02871	0.6
81.03374	0.6
83.04952	0.9
84.96017	1.3
85.02893	0.6
98.21400	0.5
98.97562	15.1
101.00882	2.3
103.02475	0.6
110.97576	1.8
112.99114	8.8
113.00871	1.5
115.02410	5.1
116.98619	6.7
119.01892	6.7
128.98595	3.1
129.02278	1.7
129.03983	1.2
130.99173	0.4
131.00159	12.7
131.01857	5.8
133.01843	1.3
133.03438	23.7
134.03563	0.9
134.99667	1.8
136.57393	0.5
141.03922	1.0
142.49448	0.5
143.01897	4.4
145.01732	1.2
145.03458	4.3
146.99635	1.8
147.03267	3.1
147.05022	2.4
149.01202	5.7
149.03075	0.7
151.04504	3.9
153.04042	0.7
155.01900	7.2
156.02693	1.0
157.03459	5.7
158.03474	0.6
158.99661	2.1
159.03351	2.2
159.05048	10.7
160.05313	0.5
161.01495	0.9
161.02942	5.9
161.06664	0.6
163.04486	0.6
165.04202	0.7
167.01981	0.7
169.03474	1.2
170.99631	0.8
171.04997	6.4
173.01451	1.0
173.02928	7.7
175.02805	1.9
175.04547	5.2
177.00754	1.8
177.04379	6.2
177.06107	4.2
179.01898	1.9
183.03452	1.1
183.04987	5.0
185.02914	3.6
185.06616	2.0
187.04506	1.1
189.00711	1.0
189.04341	2.1
189.06143	1.7
190.98589	0.6
191.02382	0.7
193.03761	3.0
195.05397	2.6
195.07196	2.3
197.02908	5.6
197.04437	0.6
197.06630	0.8
199.04599	1.6
201.04373	4.1
201.06107	2.6
203.02399	0.6
203.03967	2.8
203.07652	0.6
205.05554	0.7
206.02878	0.8
211.04741	4.0
213.06076	0.9
219.01733	3.0
219.05341	1.6
219.07121	20.7
220.07387	0.9
221.05042	15.2
222.05223	0.8
225.06078	1.0
231.07111	19.4
232.07359	0.9
233.08696	3.5
235.04825	4.1
237.02753	6.8
237.06197	0.6
243.07217	1.9
245.05032	19.4
245.08760	0.8
246.05453	1.1
247.06870	0.6
255.07098	8.2
259.06668	1.5
261.08310	3.2
263.06207	1.8
263.09915	0.6
273.08115	6.4
287.04532	0.7
289.02313	0.9
291.03796	0.7
291.09378	0.6
295.07159	1.1
303.09348	1.6
307.07123	0.8
316.16095	0.6
321.10358	100.0
322.10510	8.4
337.08167	0.9
339.10315	8.0
340.11517	0.8
349.04449	0.8
381.11917	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.2
62.75027	0.8
67.05504	1.1
69.03403	2.0
69.07055	1.0
70.02470	5.5
70.06576	4.6
78.22823	0.9
81.03407	1.6
81.07026	1.5
84.04459	1.5
84.08140	2.0
85.02885	4.4
86.09682	1.1
87.00805	2.0
91.05434	2.5
93.07024	1.4
94.06534	1.4
95.04954	1.3
97.02880	2.2
98.20844	1.4
105.01846	1.9
105.07036	1.5
107.04935	1.9
107.08574	1.3
109.02861	2.0
119.04922	1.8
120.08113	2.1
121.06512	1.4
127.03931	4.0
129.07011	1.0
132.08093	1.2
133.10118	1.2
134.05998	1.3
136.07513	1.6
138.05460	1.1
144.08037	1.2
145.04985	1.5
147.04408	2.9
148.07552	2.0
152.07069	1.5
159.02887	1.6
160.07603	1.4
164.07037	3.3
166.04977	2.5
170.05916	1.1
172.07573	2.4
173.07130	2.2
174.05487	2.7
178.91260	1.0
182.08261	1.2
183.09189	3.6
184.07550	2.5
184.09723	1.5
187.08604	4.9
188.07054	5.0
188.08562	0.9
189.10182	1.7
190.08629	1.3
196.06102	1.5
197.07018	1.6
199.08669	1.6
200.07010	1.8
201.06616	3.3
201.10202	2.2
203.11830	1.6
205.09734	1.2
206.08138	1.3
210.07527	2.4
211.08620	8.8
212.07112	1.5
214.08714	1.2
215.08142	20.3
216.08650	1.4
217.09711	2.6
219.07663	1.3
221.07118	2.5
222.07834	1.1
224.05792	3.1
225.06551	4.4
227.04494	3.0
229.06055	3.5
229.09714	5.0
230.08241	1.1
231.11230	1.4
233.09042	5.1
233.12715	1.1
234.07428	1.2
238.07185	1.7
239.08105	37.6
240.06433	1.6
241.09656	1.5
242.07993	1.4
243.07613	26.4
244.08192	2.4
245.09145	5.3
247.10759	1.3
248.05461	2.0
248.09216	1.4
252.05165	1.2
253.05983	2.7
257.09192	15.4
261.08664	9.2
261.12256	2.7
266.10263	2.9
267.07599	94.0
268.07947	5.8
269.09158	4.1
270.07315	1.5
271.07059	5.7
271.10461	1.1
275.10181	3.1
279.09592	1.0
279.13235	1.5
285.08652	73.8
286.08969	3.4
287.10345	2.5
289.08154	14.6
289.11792	4.4
295.07071	10.9
296.07449	1.3
303.09723	13.3
303.13339	2.9
307.09274	2.7
307.12946	3.2
313.08136	69.9
314.08423	4.2
321.10736	9.7
321.14401	12.6
322.11328	1.3
322.14853	1.2
331.09186	100.0
331.12070	3.8
332.09549	4.8
339.11826	16.9
339.15591	1.7
349.10126	5.1
349.13931	19.2
363.11792	12.5
363.80560	1.1
381.12787	20.4
381.16583	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	382.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01852	9.8
56.44270	4.4
56.96546	5.2
59.54067	4.1
60.04502	4.7
60.18547	3.9
62.23675	3.8
63.92993	3.5
68.99760	5.6
69.03415	10.2
70.06578	9.5
71.67587	4.0
71.67970	6.8
72.04495	3.9
72.93755	4.1
79.05466	7.2
81.03394	8.9
81.07005	4.3
84.04487	14.7
85.02871	6.1
91.05457	7.0
93.52458	3.9
95.04949	7.5
97.02879	7.5
98.14182	4.0
107.04929	7.2
109.02850	7.2
109.06457	4.7
109.33865	4.0
110.06009	5.9
111.04397	14.8
115.56824	4.2
116.24533	4.2
119.04877	7.3
121.02853	6.9
121.17814	4.1
123.04397	10.5
124.03958	5.0
125.02306	5.6
133.02834	5.5
134.05969	5.9
135.04382	14.9
136.07515	6.9
137.05849	4.5
138.05464	11.6
139.03859	100.0
147.04422	14.6
149.02319	9.3
150.58250	4.5
151.03874	23.2
152.07039	11.6
155.03395	22.3
159.04375	6.1
162.05489	11.6
163.03876	54.1
164.07014	11.1
165.05489	8.3
166.04984	5.4
167.03401	9.7
168.06532	14.3
177.05321	6.0
178.04973	7.4
179.03325	16.6
180.06525	54.3
181.04929	7.7
184.05981	6.0
185.05988	4.8
189.05377	6.2
190.04942	4.4
191.03389	6.2
192.06549	5.8
196.05994	9.7
203.03491	4.3
204.06519	8.0
205.04831	6.6
208.06044	10.3
235.98831	4.1
259.06116	7.4
287.05447	6.7
300.08337	6.5
302.10062	9.2
321.06161	6.3
327.88959	5.0
328.08032	6.5
336.11038	4.9
346.09027	23.6
347.07642	8.6
351.35690	4.7
364.10318	29.3
382.11124	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01858	11.1
57.03426	4.9
61.02914	7.8
63.14798	1.0
68.99780	4.8
69.03419	36.9
69.03785	2.5
70.06578	4.7
70.89462	1.1
71.04976	6.9
71.67863	1.3
73.02909	9.6
81.03405	35.7
81.07030	2.4
83.01331	1.7
84.08115	1.4
85.02889	100.0
86.09699	1.7
87.00813	41.9
87.04452	1.4
91.03934	3.9
91.05484	1.4
97.02245	2.3
97.02876	46.1
99.04436	16.9
99.05053	1.5
105.01846	52.6
105.07063	1.3
107.04949	2.6
109.02858	37.1
115.03931	2.6
117.01105	1.1
117.01798	5.7
117.09119	1.9
127.03892	88.0
129.01836	4.9
134.05978	2.6
136.07561	1.6
138.05470	6.2
140.06998	1.1
145.04938	47.9
145.06102	2.5
147.02867	2.3
147.04391	1.9
155.28842	1.3
159.02863	28.6
159.04193	1.5
161.09590	1.0
164.07030	2.0
173.87592	1.3
183.16673	1.1
205.15611	1.2
213.03905	3.6
231.04988	20.6
249.06046	4.8
280.10043	1.8
289.19495	1.2
297.11810	1.2
319.14886	1.8
322.14728	3.1
337.15686	1.6
340.11945	1.7
340.97253	1.4
350.14322	3.0
382.16852	7.8
382.21527	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	382.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.3
56.96556	10.0
69.44223	0.4
69.44621	2.2
71.95258	1.7
82.43846	0.2
88.89162	0.2
90.97357	0.3
95.60084	0.3
96.86369	0.2
98.20714	0.4
98.97563	69.3
116.98602	70.6
117.98975	0.4
134.99632	49.7
136.00069	0.3
140.00154	2.7
153.00679	8.4
158.01228	2.8
176.02246	0.4
177.00922	0.6
192.98749	0.7
198.97592	0.3
216.98663	1.2
219.01927	1.2
220.02139	0.4
232.96605	0.5
233.96707	0.3
234.99779	2.2
236.00121	0.6
236.99551	0.3
240.98584	5.1
258.01147	0.3
258.99728	56.5
259.99915	3.6
260.99939	0.3
261.03119	0.8
274.97556	1.1
275.97922	0.5
277.00775	100.0
278.00961	5.9
279.01010	0.9
282.01300	3.5
282.99847	2.7
284.00037	1.1
284.99609	0.4
292.98657	0.4
295.01715	1.3
296.47452	0.3
298.97745	0.6
299.97592	0.3
299.98822	0.4
300.02338	5.4
301.00888	5.1
302.01016	1.9
303.00757	0.5
316.98715	1.2
317.98859	0.9
319.02014	0.4
327.06918	0.3
359.01617	0.6
359.99908	0.4
360.99631	0.4
377.03119	0.3
382.99741	0.9
401.00882	5.0
402.00989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	15.3
67.05493	43.2
69.03420	12.7
69.07042	24.4
70.06575	12.9
71.70322	11.3
79.05464	25.8
81.03391	15.4
81.07052	49.0
83.04935	9.6
83.08621	14.8
91.05462	30.9
93.07006	20.5
95.04977	10.3
95.08599	16.1
97.02850	9.0
97.06491	18.3
99.08052	9.6
100.11170	9.1
105.07015	34.9
107.08574	32.2
109.06454	14.7
109.10132	34.8
110.69831	8.1
119.08581	23.6
121.10124	10.0
123.08102	12.1
123.11646	10.6
129.06990	9.9
131.08557	14.5
133.10095	17.4
135.04468	8.3
135.11710	17.8
137.09630	8.6
145.10146	22.7
146.05869	8.3
147.11681	19.9
149.09666	8.8
151.07545	7.8
152.14261	8.6
157.10109	9.1
159.11676	9.0
166.76917	8.8
173.13159	9.6
175.30089	7.4
193.04958	13.0
211.11258	10.0
238.16898	8.6
239.10553	14.6
269.11795	22.7
293.11737	11.2
310.08121	8.1
315.04956	19.5
383.08411	100.0
383.22589	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	383.0882
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
56.18900	0.4
84.43801	0.4
98.20638	1.1
107.08554	0.5
178.52299	0.5
178.95551	0.4
375.05783	0.5
383.08850	100.0
384.09140	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	383.0884
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
67.05476	5.4
69.39394	3.3
83.30416	4.5
92.84065	3.4
100.44894	3.3
133.56706	3.9
382.44235	4.6
383.08813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09377	1.2
56.79736	1.1
62.95014	1.2
67.05495	2.4
72.08134	3.0
98.21454	3.2
109.10029	1.3
128.39798	1.6
169.62500	1.4
229.27711	1.9
383.08853	100.0
384.09109	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0885
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
67.05494	0.8
70.04262	1.8
70.04678	1.1
75.30680	0.5
85.16044	0.6
113.29612	0.5
124.88097	0.5
136.62292	0.5
141.91566	0.5
215.95213	0.5
338.94312	0.6
383.08844	100.0
384.09256	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	383.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	3.6
53.03934	13.9
53.17165	3.4
53.77356	3.4
54.76237	3.4
55.01855	11.2
55.05507	27.5
57.03428	7.9
57.07057	4.6
59.04994	4.6
60.42380	3.4
61.02899	6.4
66.92452	5.4
67.05486	18.4
68.99772	9.9
69.03419	100.0
69.07053	20.5
69.77872	7.5
69.78275	23.8
71.01340	5.8
71.04983	51.6
73.02898	4.7
73.69127	3.3
79.05477	32.7
81.03407	62.5
81.07047	55.9
83.01367	4.0
83.04959	9.4
83.08591	3.4
84.08132	3.6
85.02892	47.7
85.06512	3.9
87.00809	30.4
91.05463	42.9
93.07031	46.5
95.01340	6.3
95.04958	23.2
95.08602	29.1
97.02872	36.0
97.06502	5.6
99.04463	6.3
99.08083	22.5
100.11237	14.4
103.03932	4.7
105.01854	9.4
105.07008	69.9
107.04936	28.2
107.08582	53.4
109.02861	10.4
109.06513	32.9
109.10156	31.6
111.04409	9.1
113.02333	4.6
115.03918	9.1
117.06996	25.0
119.04935	10.2
119.08552	57.5
121.06487	32.7
121.10101	25.4
123.04426	11.6
123.08058	20.3
123.11696	17.2
125.46889	4.5
127.03893	13.4
127.07535	18.7
128.06189	8.6
129.06975	12.5
130.07788	10.6
131.04915	6.1
131.08548	29.7
133.06490	16.6
133.10112	22.0
133.17731	3.5
135.04401	5.5
135.08022	15.9
135.11642	28.3
137.05923	8.5
137.09590	12.8
137.13246	4.8
139.07455	5.8
143.08568	17.6
145.06483	12.5
145.10092	50.6
147.07994	30.3
147.11694	22.6
149.05986	8.3
149.09564	14.2
151.07469	5.5
151.10056	4.2
151.11133	20.9
155.08510	14.4
157.06462	7.0
158.07210	6.3
159.02882	5.6
159.08041	17.3
159.11679	17.0
161.05986	4.5
161.09602	8.5
161.13193	8.1
163.03925	4.6
163.07515	5.0
163.11134	16.3
165.12714	28.9
167.08562	4.2
171.07990	11.2
171.11644	7.1
173.09581	55.4
173.13220	6.8
175.07509	16.2
175.11183	10.9
177.09030	3.9
177.12733	23.3
179.10602	5.5
179.14282	5.8
183.07965	10.0
183.11722	6.1
185.96280	3.9
189.03922	8.2
189.09113	14.5
189.12772	9.2
191.10616	28.3
193.12210	9.5
197.13193	7.2
199.11208	4.6
201.03943	27.6
201.09068	10.8
201.12737	11.6
205.12292	11.5
207.13806	9.7
209.11787	4.2
210.14732	5.5
215.14340	10.6
219.13800	14.5
221.11420	5.5
225.12718	7.2
233.15521	5.2
243.13788	31.9
261.14838	44.3
279.15924	18.5
306.22937	3.4
310.79712	3.6
315.04980	8.7
330.58249	4.2
341.06708	3.6
347.14822	16.6
351.08652	7.3
355.11597	5.0
365.15839	22.7
383.06595	5.0
383.11050	71.7
383.16672	16.5
403.95828	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	6.9
55.01857	4.2
55.05501	16.8
56.96545	3.0
57.07064	12.8
59.04983	12.3
59.22244	2.7
65.03947	3.1
67.05495	35.0
69.03427	17.2
69.07048	5.1
69.60418	14.9
69.60850	8.8
71.04977	7.5
73.47523	2.4
79.05487	30.3
80.07864	2.9
81.03395	4.2
81.07045	37.0
83.04952	6.0
83.08598	4.2
85.06517	4.0
91.05466	56.3
93.07035	100.0
94.07330	2.7
95.04958	34.2
95.08590	34.1
97.06526	13.0
98.80365	2.8
103.05465	4.3
105.07011	77.5
107.08591	41.8
108.21835	3.4
109.06505	25.4
109.10143	23.8
111.08081	14.2
115.05436	4.6
117.07009	10.1
119.08562	63.8
120.09386	3.1
121.06471	13.8
121.10132	52.0
123.08055	33.8
123.11694	4.1
128.06216	8.0
129.06979	12.5
131.08551	31.5
133.06516	13.0
133.10115	33.7
135.08018	23.8
135.11690	6.4
137.09601	17.6
141.06964	7.8
142.07796	20.1
143.08560	31.4
145.06438	3.6
145.10104	40.7
147.08014	28.1
147.11678	16.9
149.09587	27.8
151.07523	43.0
155.08549	6.7
156.09334	5.7
157.10126	38.8
159.07988	8.2
159.11646	19.2
161.09602	24.5
161.13248	11.8
163.11133	8.8
165.09108	44.1
167.08556	4.0
168.09308	3.4
170.10921	7.2
171.11679	9.2
173.09616	9.0
173.13246	7.9
175.11147	18.0
175.14809	11.0
177.09119	14.2
178.09895	4.2
179.08574	4.4
181.10034	4.8
182.10785	3.6
183.11743	6.8
185.09613	4.0
185.13239	18.3
187.11203	5.9
189.12746	12.5
191.14345	4.4
195.11755	3.9
197.13327	6.8
199.11151	5.8
199.14856	2.7
201.12773	6.5
203.14296	35.3
207.11949	3.6
207.13701	14.5
209.13333	3.6
209.15317	5.4
213.12669	5.8
215.14369	7.6
216.15080	3.9
219.13741	6.9
221.13338	4.3
221.15314	96.1
227.14330	6.2
231.13715	3.5
233.15286	6.7
234.16100	18.7
237.14760	4.9
239.18059	4.0
241.15797	3.5
281.18643	4.4
286.19260	4.6
287.20010	8.1
299.20102	6.5
303.19559	6.5
365.24695	10.4
383.08868	21.3
383.25800	55.2
384.26416	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.76849	4.6
53.03930	4.3
55.01854	5.8
55.05495	17.9
57.07067	10.4
59.04976	4.9
65.03913	5.1
67.05492	45.2
67.42778	4.1
69.03402	19.3
69.07061	12.4
71.04968	8.2
79.05481	36.8
81.07043	40.1
83.04939	11.1
83.08591	8.6
85.06512	9.2
91.05456	53.3
93.07021	100.0
93.82683	5.2
95.04947	26.2
95.08591	37.3
97.06496	15.9
99.30259	5.8
105.07018	97.4
106.07342	4.6
107.08566	51.5
109.06510	24.4
109.10139	36.7
111.08046	7.0
115.05424	7.2
117.07002	9.7
119.08575	61.9
121.06485	18.3
121.10131	48.8
123.08094	25.5
128.06190	9.1
129.06947	17.6
131.08551	40.2
133.06451	9.3
133.10115	36.5
135.08034	32.3
136.68503	4.9
137.09622	11.5
141.07018	5.8
142.07779	26.1
143.08560	33.2
144.09279	7.0
145.10075	43.9
147.08025	32.3
147.11659	18.0
149.09587	32.8
149.13171	6.8
151.07521	52.7
151.28825	5.4
153.09087	5.1
155.08488	6.9
156.09303	8.5
157.10089	42.5
158.10851	6.2
159.08018	8.5
159.11694	15.9
160.08832	5.3
161.09589	19.1
161.13243	5.3
163.11226	7.4
165.09114	37.5
169.10017	8.1
170.10960	5.1
171.11647	12.3
173.09578	12.2
173.11778	5.9
173.13205	9.4
175.11102	26.5
175.14749	11.8
177.09079	13.6
179.08572	5.8
181.12262	5.2
183.11697	8.3
185.09598	6.0
185.13235	18.4
189.12732	14.1
191.14243	9.3
195.11571	5.8
199.11090	7.0
201.12656	10.4
203.14226	30.2
207.13754	14.0
209.13264	9.9
213.12677	6.2
215.14308	12.3
219.13824	6.9
221.15332	70.2
222.15605	5.4
225.12955	5.3
227.14212	7.3
233.15334	11.2
234.16014	11.0
248.48979	4.7
287.20041	7.3
303.19510	9.2
365.24536	18.7
383.08832	34.6
383.25772	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.9
55.05502	18.6
57.07050	8.9
59.04979	8.1
65.03917	2.9
67.05485	34.9
69.03417	15.1
69.07042	7.4
70.41187	13.4
71.04963	7.5
74.62933	2.8
79.05481	31.0
81.07036	39.7
83.04966	5.8
83.08611	3.2
85.06509	4.5
91.05463	47.9
93.07026	100.0
95.04948	26.1
95.08588	37.8
97.06522	13.1
98.03783	2.4
98.20903	4.5
103.05434	3.7
105.07006	76.7
107.08574	44.5
109.06499	25.6
109.10136	23.7
111.08042	8.8
115.05400	2.9
116.06193	3.4
117.06989	10.8
118.69360	2.3
119.08559	49.4
121.06476	12.5
121.10122	44.4
123.08047	35.6
125.05956	2.9
127.24210	2.8
128.06195	11.3
129.06973	14.4
130.07747	4.5
131.08543	27.7
133.06479	10.0
133.10103	31.0
135.08012	18.1
135.11678	5.6
137.09602	9.5
141.06914	3.6
142.07758	17.9
143.08546	26.4
144.09155	3.0
145.06456	3.1
145.10100	37.6
147.08008	29.5
147.11694	17.5
149.09595	22.1
151.07520	35.8
155.08525	3.9
156.09309	8.0
157.10109	37.5
159.08009	6.5
159.11707	14.4
160.08714	4.6
161.09578	20.7
161.13170	6.3
163.11119	7.6
165.09082	39.1
166.09460	3.8
167.08481	5.5
169.10094	9.4
170.10913	7.0
171.11678	7.5
173.09583	12.5
173.13216	9.2
175.11154	16.9
175.14781	7.2
177.09077	16.8
183.11620	5.2
185.13239	16.7
187.11108	8.2
189.12733	14.7
191.14246	2.9
195.11743	5.5
197.13214	4.7
201.12683	11.0
203.14276	32.3
207.13721	11.6
209.13342	4.8
209.15291	6.4
211.11118	4.2
213.12654	3.9
214.08879	2.9
215.14252	7.3
216.15079	3.9
219.13753	6.3
221.15302	83.9
225.12624	2.7
225.16269	3.1
227.14198	5.4
233.15277	3.9
234.16086	12.1
243.13766	7.9
249.16393	3.0
261.65363	2.8
281.19000	3.2
286.19275	5.5
287.20041	7.3
299.19949	7.6
303.19415	7.2
365.24597	10.7
383.08752	13.3
383.25690	68.0
384.26233	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	383.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50380	4.5
55.05490	23.1
55.05725	4.9
57.07050	15.6
67.05495	43.6
69.07030	22.9
71.08614	14.6
71.45056	10.5
79.05453	15.5
81.07042	66.4
83.08599	25.8
83.26998	4.7
85.10149	11.0
91.05446	17.8
93.07037	34.7
95.08575	66.7
97.10146	17.4
105.07007	41.8
107.08584	33.5
109.10136	44.9
119.08569	25.4
121.10110	21.5
123.11697	18.0
133.10109	24.6
133.90625	5.2
135.11650	43.4
147.11638	53.7
149.13225	21.7
159.67009	5.1
161.13237	50.9
163.14809	8.1
175.14761	16.4
187.14754	6.8
189.16328	15.8
195.70586	5.3
201.16241	8.7
203.17946	9.1
215.17848	9.2
233.22809	5.9
243.20915	9.5
247.24062	6.6
248.24434	6.2
301.28662	8.5
343.98096	5.2
350.62231	5.0
383.08829	7.4
383.31995	10.4
383.36624	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57555	1.1
53.03941	5.2
55.01863	9.3
57.03428	6.3
57.07063	1.7
61.02925	8.1
63.30818	1.1
67.05504	1.2
68.99772	4.0
69.03420	38.6
69.35533	14.0
70.06581	9.2
71.04980	5.1
73.02918	8.3
81.03406	30.6
83.01325	1.2
85.02894	100.0
87.00818	48.8
87.01205	0.9
87.01361	1.6
87.04440	3.0
91.03936	2.2
91.05457	2.3
97.02879	34.0
98.20718	2.3
99.04443	14.8
104.17145	1.0
105.01852	61.1
105.07038	1.3
106.02274	1.3
109.02158	2.2
109.02867	27.4
115.03947	1.4
117.01854	2.3
119.10654	1.8
121.06496	2.1
123.02892	1.3
123.08053	1.4
127.03901	64.0
129.01796	4.8
139.03922	1.4
145.04935	28.7
145.06062	1.7
147.02797	1.4
153.05434	3.1
159.02866	14.1
167.07011	1.7
177.05505	1.4
177.12732	1.3
181.12189	3.1
189.03917	1.9
205.12169	5.5
208.61510	1.0
213.03905	3.8
223.13297	2.8
231.04974	16.6
249.06038	5.0
305.69153	1.0
327.08267	2.1
384.14865	1.7
385.18582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
55.01855	2.3
65.03931	1.5
67.05501	2.3
68.99775	1.9
69.03416	1.2
69.07061	2.8
70.06550	0.6
70.10020	2.2
70.10430	0.9
79.05482	5.8
81.03391	0.8
81.07034	1.7
83.04980	1.2
91.05463	1.9
93.03379	1.2
93.07032	0.6
95.04962	2.9
95.08588	1.0
97.06515	58.5
98.06819	1.3
105.06994	0.9
107.04948	1.2
107.08547	1.1
109.06465	0.5
109.10149	0.8
110.69101	0.5
111.04438	4.1
115.05447	0.6
117.06984	1.2
119.04910	0.7
119.08546	0.7
121.06561	0.5
123.04415	22.4
124.04675	0.6
127.03911	1.4
129.06976	0.8
131.04900	1.0
131.08592	1.1
133.06491	0.9
133.10104	0.6
135.04391	0.9
137.05933	4.4
137.09578	0.6
139.03880	100.0
140.04190	2.4
143.08589	0.8
145.02776	0.5
145.10104	0.7
147.04407	1.3
147.08046	1.0
149.05962	0.9
151.03857	0.7
151.07498	0.8
153.05444	0.9
159.08000	0.6
161.05928	5.7
161.09613	0.8
163.03871	8.1
163.07539	0.8
165.05424	0.8
165.09090	1.6
167.07002	1.2
167.08426	0.9
173.06017	0.8
175.03882	1.2
175.07524	3.0
177.05350	0.6
181.04929	1.8
185.09607	0.7
189.05435	0.9
189.09052	1.7
197.73450	0.5
197.75923	0.5
199.07364	0.7
201.09084	0.8
203.06975	0.7
203.10672	0.7
205.08591	1.2
213.09149	0.6
217.04901	0.6
217.08585	5.4
219.10130	33.2
220.10478	1.4
231.10109	1.6
233.11679	0.5
237.43137	0.5
249.11287	0.8
259.09607	0.9
261.11246	1.5
313.14270	0.6
323.12808	0.5
325.10669	0.8
359.14603	0.7
369.13324	1.4
387.14697	2.8
388.17426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03927	0.8
55.05487	0.3
63.02406	0.2
64.46654	0.2
65.03924	0.3
67.05482	0.3
69.03410	0.4
69.07059	0.3
70.06590	0.2
71.67854	0.3
73.97083	0.2
74.64297	0.2
76.09507	0.2
77.03918	0.4
79.05476	3.9
81.03404	0.8
81.07029	0.3
91.05456	0.4
92.02650	0.3
93.07015	0.4
95.04945	1.4
95.08586	0.4
95.23022	0.3
103.05439	2.6
105.07011	100.0
106.07349	2.0
119.04916	1.4
119.08489	0.3
121.06484	0.4
123.07989	0.2
131.08553	0.3
137.05945	0.6
167.07079	0.6
175.01566	0.3
203.73392	0.2
242.88849	0.2
281.14594	0.2
331.12866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2001
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
51.72531	1.3
53.03930	3.5
53.07035	1.3
55.01846	5.0
55.05503	2.3
57.03427	7.9
57.07060	4.9
58.74524	1.2
59.04975	2.8
61.02911	10.4
67.05480	5.4
69.03416	29.7
69.07054	1.8
69.23039	1.4
70.06586	4.1
71.04980	3.7
71.70165	1.7
72.08128	2.0
72.78672	1.4
73.02883	4.4
79.05463	4.7
81.03400	12.5
81.07035	7.7
83.04955	4.9
83.08616	1.6
85.02886	74.2
85.06504	4.0
86.09704	2.6
87.04443	3.9
91.03945	7.4
91.05453	5.1
93.07026	5.8
95.04935	4.8
95.08609	8.0
97.02871	29.1
97.06512	6.1
99.04436	6.3
105.07022	9.5
107.04977	2.3
107.08575	9.9
108.05690	2.5
109.02838	9.2
109.06490	6.3
109.10162	3.2
111.04415	2.8
114.59134	1.7
117.06978	3.0
119.08546	6.4
121.06467	4.7
121.10112	6.0
122.07229	2.0
123.04395	5.6
123.08044	64.9
123.11647	1.5
125.05949	9.9
127.03878	21.1
131.08522	3.2
133.06467	4.6
133.10118	4.7
135.08009	2.1
135.11626	2.7
137.02278	1.7
137.05949	22.5
139.03871	5.5
143.08647	1.6
145.04926	32.7
145.06163	2.2
145.06592	2.4
145.10072	6.8
147.07965	2.0
147.11658	5.9
149.09543	3.0
151.03896	4.4
151.07509	100.0
151.11096	2.6
153.09059	3.7
161.05960	2.1
161.13223	2.2
163.03856	6.0
163.05931	1.7
163.09769	2.9
163.11147	60.4
167.06998	9.0
173.13173	1.8
175.07425	2.0
177.05464	1.4
181.04953	3.1
181.12190	35.8
189.12712	23.3
191.07014	3.3
191.14256	2.7
192.11339	1.7
193.08577	1.9
207.13770	70.9
208.14108	1.4
209.15355	6.0
219.10118	3.3
225.14816	12.6
273.11356	1.9
357.13297	2.8
387.15024	5.1
387.20013	56.8
388.20593	2.1
388.98090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2006
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03927	2.3
55.01841	2.2
55.05487	3.0
57.03421	3.4
58.06583	1.7
59.06116	1.2
61.02900	3.4
61.43121	1.1
65.03931	1.6
67.05485	3.5
69.03422	14.2
69.07044	2.4
70.06579	100.0
70.15168	1.1
71.04977	3.3
71.06293	1.9
71.06910	22.7
71.67754	1.5
72.08167	1.3
79.05466	6.1
81.03400	3.7
81.07021	3.7
83.04957	3.4
84.04480	1.7
85.02885	16.8
86.09680	5.9
87.04432	1.6
89.06006	3.4
91.05473	8.1
93.07021	12.3
94.06538	1.6
95.04955	4.2
95.08572	2.8
97.02847	5.4
97.06496	1.7
99.04410	2.3
99.32626	1.2
103.05446	2.1
105.07003	6.0
107.04939	3.5
107.08575	12.9
109.02872	2.5
109.06482	4.4
109.10130	2.3
111.04417	4.2
119.04904	2.9
119.08533	7.4
121.06473	6.2
121.10133	10.3
122.05993	2.1
123.04415	16.6
123.08011	11.0
124.04787	4.0
125.05930	1.4
127.03868	3.9
129.05458	3.4
129.07036	1.2
131.04889	3.5
133.06494	2.1
133.10103	4.1
135.04411	3.6
135.08038	11.2
135.11673	8.5
137.05927	9.3
137.09598	7.2
139.03874	10.3
139.07474	1.3
145.04935	4.0
145.10078	3.7
147.04375	7.1
147.06441	1.8
147.08041	3.1
147.11626	2.8
148.04759	3.8
149.05937	4.1
149.09599	3.2
150.06247	1.7
151.03893	4.9
151.07512	3.6
151.11160	2.4
154.04959	2.2
159.11697	1.8
161.05876	1.4
161.09647	1.7
161.13268	2.4
163.03868	4.6
163.07506	2.7
163.11147	12.7
165.05431	3.1
165.07774	2.3
165.09090	10.9
166.05795	1.5
167.07001	7.2
168.06677	1.3
175.27657	1.2
177.05440	32.7
177.12758	3.6
178.05817	27.9
179.10687	6.7
180.06525	2.2
181.12192	23.7
189.12689	7.3
191.14334	2.3
193.08559	2.9
205.12183	8.5
207.06514	1.6
207.13771	30.9
208.06786	1.6
219.10057	1.9
225.11234	1.9
225.14806	19.4
226.31099	1.4
228.40677	1.5
235.11565	2.9
243.01683	1.4
285.33087	1.4
329.10193	1.8
330.10486	9.3
334.71072	1.2
348.50021	1.4
365.79608	1.3
384.75949	1.4
387.12036	2.8
387.16226	48.2
387.20370	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	387.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01841	2.2
55.05487	3.0
57.03421	3.4
58.06583	1.7
59.06116	1.2
61.02900	3.4
61.43121	1.1
65.03931	1.6
67.05485	3.5
69.03422	14.2
69.07044	2.4
70.06579	100.0
70.15168	1.1
71.04977	3.3
71.06293	1.9
71.06910	22.7
71.67754	1.5
72.08167	1.3
79.05466	6.1
81.03400	3.7
81.07021	3.7
83.04957	3.4
84.04480	1.7
85.02885	16.8
86.09680	5.9
87.04432	1.6
89.06006	3.4
91.05473	8.1
93.07021	12.3
94.06538	1.6
95.04955	4.2
95.08572	2.8
97.02847	5.4
97.06496	1.7
99.04410	2.3
99.32626	1.2
103.05446	2.1
105.07003	6.0
107.04939	3.5
107.08575	12.9
109.02872	2.5
109.06482	4.4
109.10130	2.3
111.04417	4.2
119.04904	2.9
119.08533	7.4
121.06473	6.2
121.10133	10.3
122.05993	2.1
123.04415	16.6
123.08011	11.0
124.04787	4.0
125.05930	1.4
127.03868	3.9
129.05458	3.4
129.07036	1.2
131.04889	3.5
133.06494	2.1
133.10103	4.1
135.04411	3.6
135.08038	11.2
135.11673	8.5
137.05927	9.3
137.09598	7.2
139.03874	10.3
139.07474	1.3
145.04935	4.0
145.10078	3.7
147.04375	7.1
147.06441	1.8
147.08041	3.1
147.11626	2.8
148.04759	3.8
149.05937	4.1
149.09599	3.2
150.06247	1.7
151.03893	4.9
151.07512	3.6
151.11160	2.4
154.04959	2.2
159.11697	1.8
161.05876	1.4
161.09647	1.7
161.13268	2.4
163.03868	4.6
163.07506	2.7
163.11147	12.7
165.05431	3.1
165.07774	2.3
165.09090	10.9
166.05795	1.5
167.07001	7.2
168.06677	1.3
175.27657	1.2
177.05440	32.7
177.12758	3.6
178.05817	27.9
179.10687	6.7
180.06525	2.2
181.12192	23.7
189.12689	7.3
191.14334	2.3
193.08559	2.9
205.12183	8.5
207.06514	1.6
207.13771	30.9
208.06786	1.6
219.10057	1.9
225.11234	1.9
225.14806	19.4
226.31099	1.4
228.40677	1.5
235.11565	2.9
243.01683	1.4
285.33087	1.4
329.10193	1.8
330.10486	9.3
334.71072	1.2
348.50021	1.4
365.79608	1.3
384.75949	1.4
387.12036	2.8
387.16226	48.2
387.20370	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66356	0.6
57.03424	3.2
57.19722	0.6
59.04983	3.0
69.03421	3.9
69.88208	2.7
69.88614	1.6
71.01340	4.4
71.04976	2.2
73.02885	0.9
75.04460	1.8
78.03436	5.4
80.04996	2.8
85.02888	17.2
87.04456	6.3
91.03931	0.7
96.04455	4.3
97.02876	9.7
98.21376	1.0
99.00799	4.6
99.04431	2.2
101.02353	0.8
103.03879	0.7
106.02895	32.2
111.04411	3.0
113.02345	3.5
117.05516	0.6
123.04390	1.7
124.03930	100.0
125.04285	1.0
127.03859	1.0
131.03381	3.8
139.03912	2.9
141.01804	1.5
151.03871	0.6
155.03313	1.0
159.02864	1.2
163.03899	1.8
164.07037	0.9
173.04445	1.1
179.03423	0.9
180.06528	29.6
181.06801	0.8
198.07578	83.3
199.07889	1.1
208.06071	1.0
230.02936	0.6
276.08780	1.2
370.11179	1.1
388.11960	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	388.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01861	7.8
57.03434	5.1
57.21722	0.7
61.02911	5.8
67.05499	1.3
68.99773	2.3
69.03417	31.5
70.00370	0.7
70.03745	1.1
70.06583	1.3
71.04976	3.0
71.54125	0.9
71.68744	1.7
73.02895	5.4
79.05470	1.5
81.03406	23.1
81.07045	1.9
83.04967	1.0
84.08134	1.0
85.02888	100.0
86.03217	1.8
87.00813	36.3
87.04486	0.9
90.68529	0.7
91.03934	2.7
91.05437	2.0
95.08612	1.4
97.02874	30.4
97.06451	1.1
99.04443	13.2
101.02339	1.1
103.03944	0.8
105.01846	63.9
105.07011	14.6
108.04483	4.1
109.02863	26.0
109.06444	0.9
109.10149	0.9
115.03880	1.8
115.16448	0.8
117.01831	2.6
117.07012	1.0
119.08562	1.9
120.08079	1.0
121.10106	0.9
123.02930	1.0
123.04448	1.0
123.08025	1.5
124.08399	1.3
126.05468	1.4
127.03891	63.3
128.04205	1.0
129.01831	3.5
133.06415	1.1
137.05936	2.1
137.09599	1.8
138.06248	1.1
139.03876	1.7
143.90714	0.8
145.04932	36.9
147.02863	3.2
151.07491	1.5
152.07849	1.4
159.02872	15.7
163.11168	1.4
164.11530	1.1
165.05470	0.9
189.03903	4.6
207.13806	2.4
208.14014	4.3
211.13164	0.9
213.03905	3.5
213.09042	1.5
230.06918	0.8
231.04948	23.6
231.07115	1.7
248.07602	2.4
249.05994	7.7
388.15787	1.2
388.20413	1.8
389.13321	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
53.68649	0.8
55.01865	6.3
57.03422	6.3
61.02915	7.7
61.31603	0.8
68.99776	2.8
69.03418	32.8
70.03770	0.8
70.82645	2.8
71.04982	3.8
73.02909	6.9
79.05486	2.0
81.03403	22.5
82.03725	0.9
83.01337	0.8
85.02890	100.0
87.00810	42.7
87.04446	1.5
91.03928	2.1
91.05489	0.9
97.02878	27.8
99.04444	12.2
101.02322	0.7
105.01849	61.9
105.07014	17.6
108.04468	3.8
109.02856	26.9
115.03939	1.2
117.01855	3.2
123.08015	1.5
126.05574	1.2
127.03893	66.1
129.01823	3.4
130.24808	0.8
137.05981	0.9
138.86241	0.8
139.03838	1.2
143.08592	1.1
145.04929	35.3
147.02841	1.9
151.07518	2.1
159.02856	15.1
163.11205	1.4
171.02950	0.9
173.01634	1.0
189.03900	3.5
208.14146	1.9
213.03909	2.9
213.09074	1.3
230.06599	1.4
231.04955	22.1
248.07539	2.1
249.06003	5.1
302.84467	0.9
320.81805	0.9
388.20340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1742
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
52.38608	8.7
67.05479	10.4
71.70219	16.4
78.83175	8.5
79.05427	8.5
80.45848	9.0
86.50364	9.1
90.70491	8.6
91.05476	9.0
93.50063	7.8
95.04927	10.9
107.04974	9.7
108.67635	9.8
131.08521	10.6
167.08534	8.8
168.08810	15.5
186.09929	21.0
237.48724	9.3
249.11121	10.0
250.11484	20.6
273.16406	9.1
317.13797	13.9
342.13461	38.6
360.14783	37.5
371.10919	12.7
388.13791	50.7
388.17484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.1
53.03948	4.3
55.01874	7.7
55.05497	6.9
55.14012	3.1
56.05027	5.2
56.40806	2.6
56.96563	6.5
57.03419	3.5
57.58908	3.1
59.05834	5.0
59.06116	81.3
60.04507	9.8
65.03943	6.2
66.10962	2.8
67.05489	6.7
68.99784	6.5
69.03425	14.0
69.07066	6.8
70.06577	18.1
70.82094	10.6
72.08147	12.7
79.05483	19.5
80.05011	5.2
81.03400	7.2
81.07051	6.5
83.06086	4.4
84.04491	15.5
84.08134	4.8
85.02892	10.4
85.04000	15.1
85.06552	8.7
85.07653	7.5
86.09709	25.5
91.05459	8.1
93.03421	4.4
93.07030	7.2
95.04974	14.0
95.08626	4.1
96.08115	10.9
97.02885	8.9
97.06563	3.2
98.97583	18.0
99.04459	6.3
101.07107	7.4
102.41532	3.0
103.05457	9.6
105.07021	6.7
106.06566	4.1
107.04942	63.7
107.08606	10.1
108.04491	4.8
109.02893	3.6
109.06523	3.8
109.10149	3.5
110.06025	8.6
111.04434	4.8
116.06357	2.9
116.07078	4.0
116.98611	21.4
118.06534	3.4
119.04943	6.6
119.08557	4.1
120.08150	3.8
121.02869	6.4
121.06503	8.2
121.10140	4.2
122.06033	9.9
123.04414	88.0
123.05266	6.6
124.03923	4.5
124.07583	77.9
125.02319	2.9
126.05548	5.6
127.03897	5.3
131.04947	13.2
131.08582	4.4
132.04446	4.1
133.02800	4.6
133.06509	3.8
133.10104	5.0
134.05994	7.6
134.99632	23.6
135.04405	16.2
136.03926	8.5
136.07562	9.2
137.02330	11.8
137.05980	9.0
137.09622	3.3
138.05495	13.7
139.03883	100.0
140.04233	4.4
143.08539	3.4
146.06006	10.5
147.04375	27.0
148.07629	4.5
149.02280	6.6
149.05994	9.9
149.09583	5.8
150.05504	6.8
151.03902	30.3
152.07059	13.0
153.05428	6.3
153.09105	4.0
154.04953	15.0
155.03387	7.4
157.81891	3.1
160.03865	3.6
160.05269	3.5
161.05962	6.8
162.05490	25.9
163.03891	37.9
163.07465	4.7
164.06995	18.7
165.05492	11.4
165.09138	3.4
166.04980	9.1
167.05742	3.9
167.07043	5.5
168.06575	7.7
173.05875	4.4
175.03914	3.7
176.07077	8.2
177.05428	8.0
178.04951	63.5
179.03410	6.2
179.05588	5.6
180.06534	70.7
181.04996	9.1
181.07028	3.2
184.00421	2.8
188.07016	6.8
190.05022	6.0
191.08301	5.7
192.06541	13.3
193.04938	6.9
193.07208	4.7
194.08116	10.5
195.07756	5.1
196.06032	4.8
202.05077	3.7
203.08214	4.2
204.06604	5.5
205.04897	5.2
206.08127	3.2
208.06076	10.1
209.09306	5.3
209.11737	7.6
209.15399	5.9
210.07678	3.5
210.40175	3.4
215.06909	4.4
216.06641	3.2
221.09404	4.8
222.07581	4.7
223.05885	3.2
227.02261	4.4
227.12720	11.0
227.16473	5.0
233.09273	3.6
237.00861	3.3
237.08752	11.4
251.10318	3.6
255.01765	21.7
266.93658	3.4
273.02725	8.0
278.03476	3.6
282.07703	6.0
283.10815	4.6
287.05481	3.4
311.10031	3.8
312.08490	5.7
313.09653	3.8
327.17685	5.0
329.11377	6.7
330.09720	12.5
331.10352	9.0
344.14771	4.0
347.12274	4.7
353.11420	7.0
357.10831	5.0
362.15848	6.1
371.12329	36.2
371.16617	4.5
372.10419	4.3
389.13260	69.5
389.17761	76.9
390.12451	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	389.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57032	1.7
53.03931	1.7
55.01853	2.7
56.96556	2.2
59.06110	17.6
60.04504	4.0
62.78757	1.9
67.05490	3.1
69.03400	3.6
69.89744	11.8
70.06569	6.1
72.04509	2.2
72.08131	6.1
79.05481	5.4
81.03400	2.0
81.05213	1.6
81.05779	2.2
81.07041	2.3
84.04473	6.1
85.02849	2.7
85.03990	2.7
86.09696	6.0
91.05438	3.7
93.03417	1.9
93.07021	2.1
93.53679	2.1
94.06522	2.2
95.04949	4.8
95.08614	1.9
96.08109	8.4
96.71728	2.1
98.21307	2.2
98.97554	4.3
106.06557	3.1
107.04938	5.0
109.02865	2.0
109.06510	3.3
111.04398	2.8
116.98614	3.0
118.06541	2.3
119.04943	2.4
121.02831	2.2
123.04421	30.4
124.07561	57.1
126.05463	3.0
127.03902	1.9
131.04953	2.0
132.08098	1.7
134.06004	3.1
134.99678	2.5
135.04388	6.1
136.07523	2.6
137.02301	2.8
138.05470	3.8
139.03874	30.1
146.05943	3.6
147.04396	8.0
148.41315	2.1
149.02316	4.3
151.03912	9.2
152.07054	5.4
153.05484	3.1
155.03352	4.0
162.05476	7.3
163.03839	15.4
163.06128	1.8
164.07030	7.6
164.66090	1.6
165.05380	3.3
165.09071	2.2
166.08549	3.0
168.06500	4.5
176.07112	3.4
177.05391	2.7
178.04956	16.5
179.03430	2.9
179.05573	2.3
180.06509	35.7
181.04933	2.5
181.06914	1.9
182.28876	2.0
188.07030	2.2
192.06592	4.5
193.04904	2.2
194.08102	5.0
195.07672	2.1
196.05984	3.0
198.52194	1.7
202.04845	2.6
204.06444	3.8
208.06020	2.6
222.07516	2.1
237.08698	6.4
251.10216	2.0
255.01622	5.0
266.08319	2.4
311.10190	2.2
313.09344	2.7
328.07947	2.8
329.11093	1.8
330.09515	2.5
331.10464	4.0
353.11169	4.7
371.12262	18.7
389.13309	34.7
389.17734	100.0
390.13184	2.1
390.18265	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.9
55.05487	0.9
57.27285	0.7
65.03914	0.7
67.05475	1.1
69.03422	1.2
69.07034	1.0
69.81747	0.8
70.06575	0.9
70.95351	1.3
70.95695	1.8
74.21580	0.7
79.05470	1.8
81.07035	1.6
83.04950	0.8
85.02866	1.3
86.46085	0.7
91.05466	1.5
93.07016	1.4
95.08590	1.0
105.07018	1.3
107.04938	1.2
108.08112	0.8
109.10102	2.2
117.25429	0.9
119.08543	1.0
120.01782	0.8
121.06459	1.0
122.03625	0.9
123.04404	2.1
124.65779	0.7
129.06949	0.9
131.04886	1.1
135.08044	0.8
137.05956	9.0
137.09550	1.2
139.33182	0.7
145.10133	0.9
151.07489	1.5
153.01804	1.5
161.10706	0.8
163.11159	0.9
165.09105	1.0
167.07086	5.2
170.08369	1.7
171.19434	0.9
177.05412	2.2
179.03285	1.4
181.04968	2.2
182.09604	1.9
183.09180	1.3
184.09840	1.4
185.07071	2.2
185.10674	2.8
186.07741	1.1
189.08914	1.2
193.80321	0.9
195.09131	2.3
198.07787	4.3
199.08632	16.2
199.12239	1.4
200.09210	1.4
202.08591	0.9
207.02744	1.0
209.08028	1.1
209.10709	1.9
210.09109	1.9
211.08632	3.3
211.12178	0.9
212.09378	6.9
213.06689	5.0
213.10179	18.4
214.07341	2.8
215.08060	2.0
219.10173	1.3
222.07805	1.4
224.09123	1.0
225.10109	2.5
226.07297	2.6
226.10896	1.2
227.08121	18.8
227.11696	10.2
228.08534	4.5
229.09634	4.5
235.92714	0.8
237.10201	4.8
238.08493	1.4
239.08076	2.9
239.11723	1.8
240.08742	7.3
241.06059	9.9
241.09673	39.9
242.10110	2.2
243.07681	1.6
243.11275	1.5
245.12837	9.2
252.96515	0.9
253.09628	2.6
254.10457	1.8
255.07817	3.7
255.11246	42.7
256.08237	1.1
256.11612	2.6
257.09171	8.5
259.10654	2.3
265.09723	3.8
266.10501	1.0
267.11230	1.9
268.08276	1.9
269.09134	14.6
270.09912	3.2
271.10748	1.3
272.11377	0.8
273.12271	6.8
277.08521	1.1
283.07297	2.2
283.10684	50.9
284.11066	1.9
285.12347	1.6
293.09100	1.5
295.10730	8.4
297.08615	2.3
300.11121	1.7
301.08136	3.0
301.11737	7.4
311.10159	28.4
312.10559	1.6
313.11804	9.5
325.11447	1.5
329.11249	100.0
330.11615	6.7
339.09375	5.3
343.12503	1.0
357.10730	69.1
358.10992	4.4
371.11853	3.8
375.11804	1.8
389.13165	21.2
389.20746	1.4
390.13776	1.4
404.50674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51573	0.4
53.03941	1.1
55.01859	7.5
55.05501	3.1
57.03423	1.8
61.02922	0.7
65.03927	0.9
67.05492	38.7
68.05827	0.5
69.03407	1.4
69.07047	2.3
69.62775	1.9
69.63207	1.8
70.06580	0.8
71.01357	0.7
71.04980	4.2
73.02896	0.6
79.05479	4.3
81.03415	1.0
81.07043	21.5
82.07373	0.6
83.01334	1.2
83.04972	1.0
84.08119	1.0
85.02892	0.5
85.06523	0.9
86.09670	0.6
87.04447	0.8
91.05463	4.5
93.07023	5.1
95.04955	6.9
95.08588	11.6
97.06487	1.0
99.04438	1.6
99.08073	1.4
105.07026	1.4
107.04939	0.9
107.08575	3.9
108.08109	0.7
109.06499	3.2
109.10136	67.4
110.10485	1.4
111.00773	4.6
115.03918	0.8
117.06980	1.1
119.08566	4.5
120.08111	0.5
121.06487	0.7
121.10131	1.2
123.04404	2.2
123.08016	0.6
125.05967	2.9
129.01814	2.3
131.04967	0.5
133.04883	0.7
133.10121	0.7
135.08043	0.6
136.07518	0.6
137.06009	4.0
137.09589	100.0
138.09953	2.5
139.03824	0.8
143.03387	1.8
143.04767	0.4
147.04401	0.7
147.08012	0.7
151.03905	0.5
153.05391	0.7
155.10645	8.9
157.01378	0.6
157.10100	0.5
161.04445	1.4
163.03769	0.4
165.09088	54.2
166.09439	1.3
167.07021	6.2
171.02901	4.7
171.11664	0.5
176.03418	1.7
177.05435	0.5
179.08659	0.5
181.05029	0.9
183.10168	3.3
189.03877	1.0
189.08984	0.5
193.08600	0.6
201.11221	3.3
219.10072	0.6
222.03931	5.1
241.09753	0.9
255.11450	0.5
287.12900	0.7
311.10284	0.8
325.12701	0.9
329.11121	1.8
339.09628	0.9
353.12296	5.4
357.10922	2.2
371.13254	8.3
372.13464	0.5
375.11664	2.0
389.08389	0.5
389.12524	2.1
407.11322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11320	0.6
54.43959	0.6
55.01865	4.4
55.05492	2.4
57.03428	0.7
57.15594	0.7
58.95819	0.7
67.05497	2.9
68.99779	1.3
69.03406	1.2
69.07053	1.5
69.73222	2.9
69.73656	1.6
79.05447	0.7
81.03402	2.1
81.07042	2.4
83.04980	1.0
83.08615	1.0
85.02907	0.9
91.05460	3.5
93.07024	1.8
95.04957	4.4
95.08596	1.8
97.06507	2.8
98.20739	1.1
100.11240	2.5
103.05445	0.8
105.03349	1.0
105.06993	1.2
107.04923	1.3
109.02860	4.0
109.10124	1.9
111.04398	0.7
115.05443	1.6
119.04908	8.6
119.08529	1.0
121.02863	0.9
121.06467	1.4
121.10090	0.7
123.04408	100.0
123.11610	0.7
124.04726	1.7
127.03881	2.6
131.04903	0.7
133.06473	1.1
135.04385	2.0
137.02316	1.5
137.05934	3.7
137.09616	3.3
139.03873	28.5
141.05437	1.0
143.04897	2.8
143.08521	0.8
147.04382	33.6
148.04794	1.0
149.05894	3.1
151.03876	44.1
151.07518	1.3
152.04222	1.5
153.05486	0.9
161.04697	1.2
161.05954	11.7
161.07191	1.1
163.03853	5.8
163.07535	0.9
165.05446	22.1
165.09077	2.2
166.05768	0.7
167.07011	1.4
169.04922	3.8
173.05954	17.4
173.07448	0.9
174.06339	0.7
175.03937	0.9
175.07573	0.8
176.04651	2.9
177.05435	15.0
177.09019	0.6
179.03395	0.8
179.07031	3.9
181.04951	3.3
181.08580	3.6
181.09949	0.7
182.15395	0.8
183.10127	1.2
189.05392	3.7
191.07022	6.0
191.10674	1.4
193.04941	2.5
193.08572	47.2
194.08971	0.9
197.05754	0.6
203.06995	1.0
203.10611	1.7
205.08614	3.5
207.06499	11.7
207.10066	1.3
210.14868	1.2
219.06778	0.8
219.10144	18.1
220.10469	0.8
223.09633	1.6
225.11177	0.8
231.10207	1.6
237.11174	8.7
249.07623	2.1
249.11209	1.9
251.12883	0.6
267.06570	0.8
273.07596	0.8
276.73056	1.0
285.07635	3.0
291.08600	4.5
302.85593	0.7
303.08582	7.5
311.09171	2.7
327.12222	3.6
329.10150	15.6
345.13272	29.4
345.17471	1.4
346.13596	1.4
353.13797	4.9
371.14847	12.2
380.21912	0.8
389.16104	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	389.1587
Annotation	Renealtin A
Peak:m/z	Relative Intensity
50.67611	1.0
51.02379	1.1
53.68463	0.8
55.01855	3.1
55.05491	1.5
57.03413	1.6
67.05486	2.2
68.99789	1.4
69.07065	1.0
70.13976	3.1
77.03902	1.0
78.70314	0.8
79.05479	1.8
81.03382	1.7
81.07043	1.7
85.02898	1.1
91.05452	3.4
93.07037	1.4
95.04967	4.0
95.08618	1.2
97.06506	3.0
105.03381	1.1
105.06991	2.1
107.04944	2.3
109.02851	3.8
111.04427	1.2
115.05460	1.8
116.04961	3.4
119.04929	8.2
119.46107	0.8
119.47718	0.8
121.02816	1.0
122.06018	1.4
123.04406	100.0
124.04720	1.2
127.03910	2.0
133.06461	1.6
135.04367	1.6
137.02274	1.2
137.05923	2.3
138.09169	1.2
139.03868	28.0
140.04173	0.9
143.04875	2.7
144.04442	7.3
145.06487	1.3
146.41280	0.8
147.04381	28.7
148.04706	1.0
149.05882	4.3
151.03876	44.0
153.05444	0.8
156.48155	0.8
161.05954	11.3
162.05478	3.4
163.03876	5.6
165.05460	21.6
166.08607	2.2
169.04919	2.9
172.03908	31.6
173.05933	15.1
175.03850	0.9
175.07545	1.5
176.04665	3.1
177.05444	12.6
179.07031	3.5
181.04945	2.1
181.08565	3.4
184.28719	0.9
189.05457	5.0
191.07016	3.5
193.08572	46.7
194.08916	1.9
203.10709	0.9
204.06535	50.9
204.45920	0.9
205.08627	2.6
207.06476	11.9
207.10004	1.0
217.08563	1.1
219.10126	19.3
223.09663	1.6
231.06451	1.2
231.10161	2.6
237.11191	7.5
249.07437	1.0
249.11139	2.7
285.07654	4.1
291.08530	4.4
303.08633	5.6
311.09006	3.2
327.12164	5.1
329.10132	15.0
345.13290	25.1
346.13824	1.1
353.13831	4.9
357.14392	9.4
371.14911	15.5
372.15286	1.4
389.15997	11.7
408.39688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Renealtin A
Peak:m/z	Relative Intensity
51.02367	0.7
53.03932	0.8
55.01860	4.1
55.05487	1.4
55.23563	0.5
55.48538	0.4
57.03421	1.5
59.44969	0.5
60.58709	0.4
65.03925	1.1
65.89787	0.5
67.05499	3.3
68.99784	1.6
69.03405	0.6
69.07050	1.3
69.36997	4.0
69.37409	1.3
77.03925	0.8
79.05479	2.0
81.03400	3.8
81.07040	2.1
83.04979	0.5
84.08138	0.6
91.05475	4.6
93.07032	1.2
95.04951	5.7
95.08579	1.7
97.02896	0.6
97.06520	2.4
103.05456	0.7
105.03355	3.1
105.07014	1.9
107.04968	3.1
107.08548	0.7
109.02840	3.6
109.06490	0.7
109.10133	1.4
111.04412	0.9
113.09625	0.6
115.05438	1.9
117.06956	0.9
119.04931	8.6
119.08607	0.9
121.02859	1.6
121.06483	1.6
123.04408	100.0
124.04713	2.3
125.05989	0.8
127.03908	2.6
127.04717	0.5
128.06195	0.7
129.06981	0.6
131.04922	2.1
131.08543	1.6
133.06447	2.1
135.04411	2.7
137.02336	1.7
137.05960	6.6
137.09535	0.7
139.03876	25.8
139.07460	0.6
140.04156	1.0
141.05470	0.9
141.09073	0.6
143.04872	2.6
143.08511	1.8
145.06450	1.6
145.10049	0.7
147.04385	32.8
147.08022	0.8
148.04901	0.8
149.05948	2.5
149.09624	0.7
151.03882	43.7
151.07521	1.5
152.04251	0.9
153.05472	0.7
155.08339	0.5
157.06453	0.8
159.04439	1.3
159.08012	1.6
161.05960	11.7
161.09520	1.0
163.03876	6.0
163.07536	1.1
165.05452	18.8
165.06816	0.9
165.09125	1.2
167.07079	0.7
169.04933	3.5
169.06322	0.7
169.10191	0.6
171.04350	0.9
171.08159	0.7
173.05963	15.0
175.03923	0.9
175.07510	1.0
176.04669	3.1
177.05449	14.1
177.09090	0.7
179.06979	3.5
179.08401	0.7
180.39961	0.5
181.04964	3.0
181.08589	3.3
183.10182	0.8
187.07498	1.0
189.05447	3.8
191.06985	5.5
191.10658	0.7
193.08575	47.3
194.08893	0.7
195.08038	0.5
195.11636	0.5
197.05977	0.5
199.07555	0.7
203.07037	1.1
203.10654	0.6
205.04768	0.5
205.08543	3.2
207.06465	10.3
207.08286	0.8
207.10040	0.5
213.05411	0.5
215.07025	1.0
219.06610	0.7
219.08017	0.8
219.10107	16.1
219.12132	1.0
220.08678	0.8
223.09595	1.6
225.12848	0.6
231.06427	0.8
231.10107	0.7
233.09529	0.9
235.11147	1.7
237.11186	6.8
239.06969	0.6
239.10686	0.5
243.06532	0.7
249.07513	1.5
249.11139	2.6
251.10724	1.1
253.12202	3.2
265.09503	0.6
269.09064	1.3
271.13211	0.7
273.07626	1.1
279.10184	0.9
281.11679	1.4
285.07471	2.7
291.08478	4.6
297.11166	1.9
299.12756	1.4
303.08615	6.6
303.11783	0.8
307.09833	0.6
311.09106	2.8
325.10712	5.3
325.14288	1.0
327.12164	5.1
329.10150	12.6
343.13416	1.1
345.13266	26.8
346.13718	1.2
353.10052	1.0
353.13782	4.2
371.11807	1.5
371.15100	10.9
389.16632	8.6
411.11240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
54.10137	1.1
55.01852	3.9
55.05496	1.5
67.05495	2.0
68.99791	1.2
69.45313	6.5
69.45740	3.7
79.05470	1.0
81.07046	1.9
91.05473	3.4
92.50457	1.1
93.07019	1.1
95.04923	3.2
97.06506	3.7
103.05421	1.3
107.04964	1.6
109.02866	3.6
111.04408	1.2
115.05396	1.9
119.04926	8.7
121.06517	1.5
121.50675	1.1
123.04411	100.0
124.04750	1.6
127.03891	2.4
131.04921	0.9
135.04384	2.6
137.02242	1.5
137.05975	5.3
139.03880	29.3
143.04872	1.7
147.04378	29.7
149.05939	2.6
151.03879	41.3
153.05440	1.2
158.17276	0.9
161.05948	13.4
163.03879	5.4
165.05457	22.0
165.09074	1.2
167.07027	7.8
169.04942	5.3
173.05971	14.6
175.07619	1.8
175.41574	0.9
176.04642	3.4
177.05440	16.1
177.09070	1.5
179.07001	2.2
181.04939	3.7
181.08582	4.4
183.02808	0.9
189.05463	2.9
191.07065	5.8
193.08580	50.7
196.63864	0.9
197.59395	0.9
205.08542	3.4
207.06499	12.6
207.10162	1.6
209.08087	1.3
219.10147	20.0
223.09628	2.8
231.10106	1.5
237.11156	9.7
249.11130	3.1
285.07480	3.2
291.08530	5.4
303.08557	8.8
311.09161	3.3
311.12567	1.0
327.12204	3.4
329.02814	2.6
329.10123	15.0
339.09833	1.0
345.13254	26.8
346.13693	1.2
353.13858	5.1
371.14954	11.8
389.15979	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	389.2162
Annotation	Debiloside B
Peak:m/z	Relative Intensity
51.08344	2.0
51.45341	2.5
53.03911	2.2
55.01869	3.9
55.05505	27.5
57.03429	3.7
57.39746	2.0
59.04971	3.5
59.06101	4.0
59.24017	2.1
61.02916	5.3
66.43969	2.0
67.05495	33.0
69.03412	15.4
69.07036	3.6
70.06564	6.1
70.86059	7.2
71.04978	3.5
76.83818	2.4
79.05466	9.1
81.03394	8.5
81.05769	2.0
81.07039	17.5
83.04967	86.8
85.02892	32.5
85.06526	5.0
86.09668	4.7
91.05465	4.7
93.07009	10.1
95.04936	5.0
95.08594	30.2
96.08125	9.4
97.02877	16.8
97.06496	3.5
101.06019	14.9
105.07042	4.3
106.06516	2.2
107.04982	2.2
107.08567	19.7
109.02873	3.4
109.06495	4.7
109.10140	100.0
110.10448	3.2
111.04437	2.4
111.08044	5.3
118.13760	2.2
119.08587	8.7
121.06487	4.4
121.10130	8.3
123.04424	6.7
123.08038	16.6
124.07574	44.7
125.09618	14.5
127.03887	5.9
131.08539	6.7
131.23068	2.5
133.10100	14.2
135.08064	8.6
137.09607	16.3
139.03900	4.5
139.07518	2.2
145.04974	3.9
145.10094	3.3
147.04340	2.7
147.08055	3.2
147.11769	3.0
149.09526	2.9
153.09100	3.7
161.13234	5.0
163.03850	3.5
163.11124	7.6
163.14830	3.9
173.13255	7.4
179.14290	39.0
180.06583	5.1
191.14250	14.6
197.15277	12.4
198.09180	3.1
203.14305	3.3
209.15343	84.2
221.15363	6.4
227.16328	28.6
228.12352	6.8
255.52739	2.6
306.76242	2.6
323.18579	2.8
335.18649	3.4
389.06366	4.7
389.13086	3.0
389.17859	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	389.2164
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
53.03924	11.2
54.67573	7.0
55.01856	26.8
55.05499	10.8
57.03413	9.2
65.03931	8.8
67.05476	38.4
69.03417	41.4
69.07059	19.1
70.06564	22.9
70.33564	34.2
71.04993	57.1
79.05463	23.3
81.03395	29.2
81.07059	43.4
83.04967	16.2
83.08618	15.1
85.02887	46.2
85.06540	10.7
86.09691	13.8
91.05471	42.6
93.07009	46.0
93.71353	7.6
95.04958	30.8
95.08593	34.7
97.02872	46.4
97.06540	13.8
99.04443	82.9
105.07043	41.2
107.04935	9.8
107.08586	49.0
107.09214	9.1
109.06485	12.2
109.10159	50.1
111.08022	14.1
119.04970	10.2
119.08588	20.5
120.08054	10.8
121.06461	22.5
121.10126	23.3
123.04402	30.9
123.08039	20.6
123.11693	19.6
125.09615	16.6
127.07481	8.8
128.06216	9.3
131.08524	14.8
133.10091	20.0
133.15939	8.8
135.08002	18.2
135.11642	9.2
136.07541	19.3
136.55344	9.8
137.05954	17.1
137.09595	36.4
143.08537	8.3
145.10126	14.9
147.04376	10.9
147.11682	8.8
149.09607	17.8
149.13187	16.9
151.11140	12.6
153.01834	10.1
155.08488	19.2
155.30922	8.5
157.10184	9.2
161.05974	10.2
163.11244	15.6
165.05479	53.5
165.09100	20.6
169.12288	14.4
170.57372	7.9
171.02811	10.7
173.13185	14.0
179.03334	9.0
181.10051	11.0
183.13754	26.0
191.10672	19.6
191.14317	27.9
198.09015	8.6
209.15285	30.9
215.11707	16.0
227.16365	100.0
265.09671	9.3
283.13382	9.6
293.09079	9.9
303.04846	12.8
311.09955	11.7
317.10199	14.0
321.08786	8.8
329.11011	11.6
335.22272	8.2
339.09229	9.7
353.18497	9.6
357.10126	14.3
371.11710	10.6
389.12741	45.2
390.14145	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	389.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.4
55.01849	13.2
55.05487	6.4
67.05499	8.0
69.03413	16.6
69.07055	5.6
69.45461	12.3
69.45888	18.0
70.06581	41.1
71.04976	4.9
71.06911	9.0
72.08151	5.3
79.05469	11.8
81.03408	6.2
81.07042	8.9
83.04960	10.6
83.08614	4.6
84.08131	7.0
85.02885	12.7
85.06517	3.2
86.09672	9.2
91.05457	22.1
92.05796	4.3
93.07032	8.3
95.04961	4.3
95.08584	13.8
96.04454	10.5
96.40134	3.0
97.02855	4.9
97.06494	7.4
97.10080	3.8
99.04446	3.2
99.08080	4.9
103.05405	5.9
104.67946	3.1
105.03371	8.2
105.07005	10.6
107.04971	3.2
107.08589	9.4
109.06499	4.2
109.10097	6.3
110.06001	3.3
111.04435	4.3
111.08058	6.6
116.07035	5.4
117.06941	3.5
119.08546	5.4
121.10117	10.0
123.04395	12.3
123.08038	7.9
123.11687	4.1
124.03954	28.9
124.04765	6.6
125.09618	34.6
127.03846	3.2
129.06989	3.5
131.04893	7.0
131.08549	8.7
133.10124	4.4
135.04369	4.5
135.08023	7.1
137.02290	10.7
137.05920	8.5
139.03915	3.1
142.07777	4.8
143.08539	3.2
145.02771	5.1
147.04442	3.2
149.09596	43.0
149.13225	7.3
151.11145	13.3
153.09105	11.1
155.08426	3.6
157.10091	6.2
163.03908	4.6
163.07494	4.6
163.14873	4.5
164.04266	4.0
165.05472	8.9
167.07095	5.2
173.13203	6.6
175.07477	5.4
177.05434	31.2
178.05792	15.0
179.05930	5.5
180.06387	4.9
181.05000	19.5
191.14299	20.0
199.09390	8.7
205.04962	3.3
206.05321	3.2
209.08018	12.9
209.15355	80.7
217.08565	4.0
227.16380	12.6
229.08629	5.5
231.10109	3.2
236.09042	4.1
237.09784	7.3
238.10382	3.7
241.10347	4.0
251.08058	5.9
265.09732	5.9
293.09186	10.4
297.08224	5.2
298.14511	3.2
301.07382	3.9
311.10065	6.3
317.10614	3.8
325.12000	3.7
329.11215	5.7
339.09641	9.7
344.14828	10.7
371.12021	11.6
372.14371	100.0
389.13510	88.8
390.15311	19.8
409.49796	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	390.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05494	0.8
56.95107	0.2
62.20123	0.2
63.19692	0.2
68.04995	0.4
69.03394	0.4
70.06561	0.4
70.08059	0.8
70.08474	0.5
79.05485	4.4
80.04996	1.6
81.03400	0.5
81.05787	5.1
81.07048	2.9
82.06544	0.3
85.02877	0.8
87.00819	0.3
94.06548	0.9
95.04949	0.6
96.04488	0.5
96.08115	16.9
97.02880	0.3
99.04451	0.4
106.06544	2.5
107.04965	0.3
109.02818	0.3
111.04415	0.3
120.39494	0.2
123.04426	0.3
124.07571	100.0
125.06021	0.6
125.07932	2.4
142.08626	0.6
171.02100	0.8
200.89297	0.2
248.15778	0.3
248.56111	0.3
261.75650	0.2
391.07974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05496	0.8
62.92485	0.2
68.05000	0.3
69.03399	0.6
79.05482	5.1
80.04998	1.6
81.03397	0.7
81.05785	6.2
81.07044	3.0
82.06568	0.4
83.04974	0.3
85.02895	0.6
87.00800	0.4
94.06560	1.2
94.17052	0.2
95.04961	0.6
96.04480	0.5
96.08115	20.0
97.02887	0.3
97.06510	0.3
97.08473	0.3
106.06536	3.1
107.04921	0.6
109.02917	0.2
114.93112	0.2
124.07571	100.0
125.05941	1.2
125.07875	1.7
142.08617	0.6
143.98991	0.2
146.29370	0.2
146.59592	0.2
200.19568	0.2
242.11748	0.3
247.31950	0.2
390.18002	1.5
391.07919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1906
Annotation	Pro His His
Peak:m/z	Relative Intensity
50.33731	6.5
67.05511	8.0
70.06551	10.3
70.33601	16.6
70.34007	13.6
85.65998	6.8
91.05418	8.4
97.02834	8.0
109.10143	7.5
124.19234	6.6
125.64863	7.4
149.02272	11.0
177.74463	7.9
284.06375	8.1
390.14346	12.2
390.19064	100.0
407.18250	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	390.1904
Annotation	Pro His His
Peak:m/z	Relative Intensity
56.18476	5.3
57.49243	4.7
58.24671	5.0
59.66196	4.4
61.48019	5.0
70.96323	5.4
71.45554	4.4
71.70312	7.9
71.70718	6.2
95.78230	5.5
104.57264	5.1
123.04423	6.9
137.05933	5.3
193.08534	5.6
238.11417	6.8
390.19095	100.0
391.19363	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	390.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30048	1.6
53.03931	3.0
55.05487	1.7
56.96307	2.5
56.96557	37.3
60.04485	2.0
61.02891	1.9
65.03917	3.2
67.05471	2.2
69.03407	5.9
70.06552	5.9
70.98108	3.2
71.67836	2.6
72.08121	5.6
72.96066	2.0
73.02914	2.5
74.06071	2.2
74.97607	1.8
76.38747	1.5
79.05460	3.3
81.03418	2.4
83.04952	3.1
84.08121	6.8
84.96008	4.5
85.02879	11.9
86.09679	3.6
88.99106	2.5
89.03902	9.7
91.05462	6.7
93.07011	7.1
95.04929	5.5
95.06028	2.0
97.02878	6.3
98.97561	29.0
103.05433	5.9
107.04940	6.4
109.02877	2.4
110.97535	2.0
111.04406	1.8
116.98596	22.4
117.03339	8.3
118.06525	3.5
119.18808	1.9
119.77634	1.5
120.08112	1.9
121.06484	100.0
122.06023	2.5
122.06812	3.5
123.04390	7.8
124.07568	5.8
124.99067	2.8
127.03917	5.7
128.98563	7.3
129.10193	2.8
131.00156	4.0
133.05200	6.7
134.99631	12.4
135.03474	2.2
135.04404	21.0
136.04810	2.2
136.07527	4.7
138.09117	33.2
139.03923	10.0
140.01613	2.7
140.06992	4.8
143.00145	8.1
144.98018	2.1
145.01801	2.0
145.02740	8.4
145.04910	2.3
146.06006	13.3
146.99580	8.6
147.04402	3.7
148.07535	37.5
149.01225	3.3
149.02310	5.9
149.07816	2.0
150.05464	16.6
151.02682	1.8
151.03899	3.2
154.18262	1.8
158.99594	10.8
161.01175	12.4
162.99269	2.0
163.03882	71.7
164.04253	7.0
164.07013	9.1
165.00731	2.5
165.04314	2.1
166.08646	5.5
168.06543	3.0
170.99574	2.4
173.73033	2.7
174.05481	18.3
177.00681	12.8
177.05441	4.7
179.03421	3.5
185.01242	3.3
186.04187	2.0
187.02728	2.7
188.97061	1.9
189.00694	5.2
189.04262	3.4
190.98683	2.9
192.06520	29.1
193.00082	2.5
193.06985	3.4
195.03169	2.5
197.01187	4.3
198.55122	1.8
201.00618	3.1
203.02075	2.0
205.00078	4.3
209.01231	1.9
210.07600	22.0
210.14986	2.1
211.07701	1.9
219.01730	4.7
223.01152	3.3
225.00691	2.8
228.08629	7.3
228.16002	9.9
231.01703	3.5
237.00648	6.1
237.02794	10.3
243.01656	4.8
245.46397	1.9
247.01328	1.7
249.02892	4.3
253.00038	3.2
255.01662	5.4
257.04462	2.3
267.03894	2.5
273.02747	2.1
287.00650	2.0
291.07526	3.4
303.98581	1.9
309.08472	14.3
372.12875	28.5
373.12854	2.8
390.09753	6.1
390.14471	33.0
390.19565	2.4
390.21115	2.6
391.08060	3.8
391.14575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
57.03418	3.2
61.02909	2.4
68.96554	1.0
69.03432	5.4
70.06572	1.8
70.92638	2.6
70.98103	21.8
70.98502	1.1
71.04982	2.4
71.95252	7.2
72.96016	3.0
73.02898	3.0
74.97581	1.7
76.90977	0.9
80.67375	1.0
81.03385	1.3
82.51208	1.0
84.96014	7.6
85.02895	9.4
88.99141	12.1
97.02883	8.3
97.99171	1.1
98.97562	79.1
101.05947	1.6
107.00162	3.4
107.40025	1.1
110.97556	8.4
112.99120	3.8
115.00642	1.4
116.98601	44.9
119.01852	3.8
124.95451	15.7
124.99128	1.2
125.01115	1.1
126.96996	1.6
127.00643	2.0
127.03908	3.1
128.98589	14.9
130.93240	1.9
131.00156	7.1
133.01730	1.3
133.03448	2.0
134.99625	16.1
137.05942	1.3
139.03906	1.3
140.00136	1.6
140.98581	7.8
140.99496	1.2
142.96494	23.9
143.00157	2.8
144.98061	4.7
145.01697	2.9
145.04890	1.4
145.81599	1.0
146.99620	18.3
148.07602	1.5
149.01205	5.2
149.02251	1.8
149.07927	1.7
150.05446	1.2
151.05716	1.2
152.94978	1.3
153.00616	1.0
154.96524	3.5
156.05493	1.1
156.98068	4.3
157.03441	1.1
158.99632	15.4
159.05003	1.1
160.97568	16.4
161.01219	3.9
161.02856	1.5
161.05547	5.7
162.99147	4.7
163.02759	1.4
163.04243	1.6
164.07098	1.2
165.00700	13.6
168.98061	1.5
169.04391	2.5
170.06018	3.3
170.95923	5.5
170.99635	2.5
172.94348	2.5
172.97551	22.5
173.01208	5.9
173.02605	1.0
174.99120	19.3
177.00690	7.7
178.04904	10.4
178.98616	2.4
179.02135	1.2
183.01915	1.3
184.97569	8.4
186.99066	8.6
188.97035	33.5
189.00659	15.1
189.02240	1.3
190.95668	2.0
190.98605	51.1
191.02260	3.9
192.06458	1.6
193.00172	29.5
193.03802	2.2
193.06795	1.8
201.00682	7.1
202.98599	15.9
204.74323	1.1
205.00182	16.9
206.98096	18.6
207.01718	12.3
208.99666	10.1
211.01219	3.6
212.97101	2.3
214.00261	1.6
214.95290	1.8
214.98593	15.3
217.00209	9.6
219.01675	8.0
219.07150	1.3
220.99683	16.3
221.05043	1.5
223.01237	8.3
224.99185	2.2
229.08722	1.4
230.03279	1.1
230.98132	11.0
231.07077	1.9
232.96368	5.9
232.99672	27.6
233.01852	2.0
234.12973	1.0
235.01207	10.9
237.02679	9.0
239.00703	3.6
242.07971	12.7
242.58105	1.8
242.98038	2.7
244.99678	5.9
245.05017	2.0
246.98007	1.3
247.01263	3.1
248.99188	5.1
250.07010	3.6
250.57156	1.2
251.00687	3.6
258.97601	1.9
259.06784	1.4
260.99155	6.7
263.00717	19.4
265.02463	1.2
267.00278	1.7
270.97592	3.2
272.06503	3.7
272.99222	1.6
274.97632	2.5
275.00674	3.0
276.99005	1.3
277.02271	3.0
279.00323	2.1
281.01758	54.7
282.97791	1.7
284.95529	1.3
286.97556	2.6
288.98627	10.5
291.00104	1.7
292.98596	1.3
293.01715	2.7
293.05264	1.1
295.06931	2.8
298.97305	2.3
299.02844	11.1
300.98752	1.5
303.00082	2.3
304.03238	2.2
316.98007	5.6
318.10623	3.6
321.10223	3.9
330.99719	9.8
334.99551	2.4
349.00735	8.3
358.99091	3.8
367.02066	6.1
373.13028	3.4
377.00336	4.1
391.14136	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	391.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.9
54.78056	1.9
55.01861	4.2
55.05495	1.8
57.43743	2.0
61.02901	2.6
67.05497	8.6
68.99733	1.9
69.03410	7.5
69.07048	6.9
69.45116	1.9
70.06570	4.5
71.04992	4.7
71.69254	2.5
79.05475	12.0
81.03396	4.7
81.07030	8.7
83.04969	4.4
85.02911	10.0
86.09698	2.3
87.04438	2.1
91.05468	13.9
91.24285	2.2
93.07022	6.6
95.04942	5.7
95.08595	3.7
97.02877	3.0
97.06514	2.5
99.04445	2.8
101.86830	1.9
103.05461	3.2
105.03398	2.5
105.06997	14.9
107.04939	7.6
107.08571	3.8
109.02860	4.0
109.06490	2.6
109.98338	2.4
111.00809	3.6
111.04445	5.4
115.03903	19.5
115.05444	5.9
117.06982	15.8
119.04938	2.7
119.08546	4.0
121.02802	2.2
121.06489	3.7
121.10122	2.5
122.06002	3.7
123.04369	3.8
125.02337	4.0
125.05961	3.0
127.03891	15.9
128.04294	2.6
128.06229	7.5
129.06970	11.9
131.08539	17.4
133.06480	4.2
133.10143	5.6
135.04379	2.8
135.08037	2.7
137.05957	2.4
139.03877	5.8
139.07600	2.0
141.05446	5.5
141.06963	15.2
142.07765	6.9
143.08546	25.8
145.06483	5.2
145.10086	10.3
147.08022	3.1
149.02313	17.8
149.05972	3.2
151.03827	2.1
151.07448	2.3
152.06201	3.5
153.05475	3.7
153.06705	2.0
154.07765	8.2
155.08519	8.6
157.06438	2.7
157.10088	25.4
159.08017	14.5
159.11685	9.1
159.69743	2.0
161.05940	4.2
161.09613	13.9
165.05583	2.2
165.06943	7.9
166.07678	2.3
167.03400	4.5
167.07037	7.6
167.08517	60.9
168.08896	2.0
169.06410	2.6
169.10086	20.9
170.07230	4.8
171.08034	4.6
171.11627	3.4
173.09534	4.1
175.11276	2.7
177.05446	2.0
177.09061	2.6
178.07751	7.4
179.08531	8.5
180.09259	2.7
181.10149	8.9
183.08044	4.6
183.11639	12.1
185.09579	68.5
185.11195	4.1
185.13187	2.7
186.09982	3.2
187.07420	2.4
187.11157	12.0
189.09065	3.1
193.10081	14.5
195.08098	5.4
195.11685	5.7
197.09608	7.3
199.11162	5.8
201.09041	3.1
201.12660	3.4
203.10596	11.2
206.73607	2.0
207.08171	2.4
209.09500	2.5
210.10364	2.1
211.07521	2.8
211.11183	10.3
213.09114	8.7
213.12564	2.4
215.10684	2.6
221.09627	10.0
223.11230	4.0
225.09085	5.3
225.12680	2.0
231.10095	25.7
239.10538	14.8
241.12288	2.4
245.11679	5.3
249.09148	5.0
249.11195	100.0
250.11508	4.0
251.10681	3.0
253.12198	4.8
257.09262	4.4
257.11761	5.8
263.12744	7.7
267.07596	3.5
267.09964	11.5
271.10480	3.0
271.13248	7.1
275.12854	3.4
276.08737	4.6
281.11655	3.3
285.11261	10.0
289.11337	2.8
295.11957	4.3
299.09906	4.7
299.13025	9.6
303.12241	5.4
313.10947	11.3
315.13416	3.4
317.10229	9.5
317.13852	10.9
327.12335	11.3
331.11908	15.9
335.14960	2.7
341.11371	2.9
345.13251	92.1
346.13516	3.5
359.12018	66.1
360.12164	3.6
363.14304	53.6
377.12704	4.6
391.08182	5.8
391.13773	63.9
392.13864	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01867	1.8
55.05493	1.0
57.07055	1.0
57.72665	0.8
61.02915	0.8
65.03914	1.1
67.05488	3.2
68.99767	0.9
69.03417	1.4
69.07048	1.0
70.06567	3.0
71.69855	0.9
71.70245	1.0
72.08144	0.9
79.05478	1.8
81.03400	1.0
81.07021	2.5
83.04950	2.2
84.08098	1.3
85.02882	2.4
86.09713	1.3
91.05450	1.9
93.07022	3.1
94.06532	1.4
95.04968	1.6
95.08604	1.6
97.02837	0.9
97.06502	2.0
99.04411	0.8
105.07010	1.9
106.06538	1.5
107.04931	1.0
107.08578	1.3
108.08121	1.9
109.02875	0.9
109.10132	2.2
110.09667	2.0
111.04453	1.0
119.08530	1.3
120.08057	2.7
121.10137	1.4
122.05965	1.1
123.04393	1.0
123.11668	1.7
127.03906	1.0
130.06490	1.1
131.08655	0.9
133.10176	0.9
136.07556	0.9
137.05917	1.9
138.05467	1.9
138.09108	5.2
139.11218	0.8
140.63940	0.9
141.06921	1.0
143.08562	1.0
145.10129	1.2
146.06023	2.1
148.03889	1.2
148.07542	3.9
149.02336	8.4
150.05515	1.6
153.01843	1.1
155.08542	1.1
156.08118	0.9
166.04979	3.9
166.08611	5.2
167.03445	1.2
167.08583	0.9
168.06566	1.6
188.03322	4.6
189.10181	2.0
194.09695	1.2
197.07040	1.7
197.10710	2.2
198.07767	1.4
199.08577	6.7
200.09258	1.0
201.10152	1.4
202.08755	1.0
206.04582	1.6
208.09598	0.9
210.07712	0.9
210.11136	0.8
211.08647	17.3
211.12234	2.1
212.07257	1.2
212.09358	5.1
213.10258	7.4
220.06024	1.8
221.10669	1.4
222.09120	3.2
223.12256	1.0
224.09340	3.9
225.06676	10.1
225.10181	34.0
226.10782	3.4
227.08144	1.5
227.11780	2.4
229.09698	4.5
229.14320	1.1
230.10358	1.2
235.08612	1.1
238.10910	1.2
239.08118	2.9
239.11763	22.0
240.08893	2.8
240.12367	1.2
241.09698	7.5
241.13287	1.9
243.07574	4.1
244.12093	2.3
245.04463	1.9
245.12830	22.0
248.99207	0.8
249.10196	1.9
250.08696	1.0
251.07979	1.4
252.08960	3.8
253.09706	19.7
254.10417	3.4
255.11203	4.5
255.28546	0.9
257.09048	1.8
257.10077	1.7
257.12723	7.9
259.10614	1.3
267.08243	1.2
267.11243	33.0
268.11880	5.0
269.12708	3.2
271.10696	2.9
273.12216	1.8
281.09097	1.2
283.10730	3.0
284.11478	2.8
285.09082	1.2
285.12305	11.7
286.09189	1.0
295.10724	21.5
296.11246	1.1
297.12213	2.8
299.10272	1.5
301.11731	5.7
313.11780	100.0
314.12183	5.9
315.13278	2.8
323.10150	1.9
328.27914	0.9
331.12888	19.2
341.07352	1.3
341.11295	18.9
345.13870	2.5
359.12335	64.6
360.12607	2.3
363.08368	1.1
373.13913	57.9
374.14157	1.8
391.07944	2.7
391.14899	16.5
400.89093	0.9
410.45004	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.9
53.03941	3.4
55.01860	2.7
55.05496	11.9
55.74520	2.3
57.03424	2.4
57.07059	8.0
59.04989	2.9
64.97656	2.2
65.03920	2.4
67.05497	15.5
69.03394	6.5
69.07066	12.3
69.85979	15.8
70.06573	3.7
71.08611	4.5
73.46377	2.0
79.05472	27.1
81.06597	4.1
81.07043	40.7
83.04958	3.9
83.08611	5.7
85.06524	5.6
86.09693	2.6
91.05464	38.8
92.99506	2.4
93.07027	42.4
95.04953	42.2
95.08597	20.1
97.02855	2.6
97.06509	6.4
98.20853	5.4
98.21411	3.2
100.16293	2.6
103.05451	3.4
105.07007	66.5
107.08598	22.4
109.06490	13.9
109.10157	9.9
115.05428	5.3
116.06200	3.8
117.07000	14.6
117.86518	2.3
119.08569	65.1
120.08961	3.2
121.06525	12.6
121.10121	20.3
123.08085	5.7
123.11710	3.7
128.06213	10.1
129.06981	13.9
130.07773	11.8
131.08528	28.4
133.06459	2.6
133.10091	21.7
135.08037	5.6
135.11649	4.7
137.09668	2.5
141.07018	8.9
142.07741	15.8
143.08539	34.7
144.09384	4.3
145.06480	5.1
145.10100	50.0
147.08061	9.7
147.11688	9.4
149.02292	23.4
149.09570	4.2
153.06970	4.3
154.07722	3.4
155.08531	16.2
156.09341	13.3
157.10097	39.0
158.10901	5.4
159.08022	10.5
159.11668	16.4
161.09628	6.0
163.11192	3.1
165.06982	8.6
166.07819	6.7
167.03432	2.8
167.08597	11.7
168.09277	8.2
169.10088	24.4
170.10893	7.9
171.08017	2.2
171.11646	18.6
173.09601	5.0
173.13187	13.5
175.11115	3.7
178.07884	3.9
179.08571	14.8
180.09346	8.3
181.10098	17.3
182.10944	5.1
183.11661	20.8
184.12373	3.1
185.09612	5.3
185.13228	9.9
187.14801	4.4
189.12733	2.5
191.14346	5.2
192.09337	9.5
193.10075	13.8
194.10855	7.6
195.11635	18.7
196.12480	7.1
197.09540	3.9
197.13181	20.4
198.10413	2.4
198.13799	2.8
199.11192	7.3
199.14807	6.9
201.12865	3.1
203.08560	3.2
205.10136	5.2
206.10895	8.7
207.11681	17.9
208.12502	6.4
209.09802	3.3
209.13228	17.9
211.11235	5.0
211.14841	7.6
213.12732	5.4
217.10175	3.8
217.15816	3.5
218.10902	5.8
219.11682	7.5
220.12494	7.1
221.13191	16.3
222.10428	2.5
222.13821	3.9
223.11206	3.9
223.14809	9.7
225.12715	3.2
227.14278	4.1
231.11659	5.9
232.12489	3.9
233.13281	8.0
233.15388	6.5
235.14783	13.2
236.15437	2.8
237.12741	3.0
237.16304	4.1
241.15984	3.3
245.13214	5.2
247.14796	8.7
248.15549	2.8
249.12788	3.6
249.16425	10.6
251.14284	5.0
251.17967	5.3
253.15800	4.8
257.13263	3.7
259.14841	4.2
260.15665	4.1
261.16315	5.6
263.17960	8.1
264.18726	3.1
265.19409	3.1
267.17490	4.0
269.10544	2.6
273.16183	4.5
275.17908	4.8
279.17416	6.8
282.19833	5.1
289.19418	6.3
291.17209	3.5
293.19012	5.3
295.20554	5.2
297.18515	5.1
299.17722	3.8
305.19012	3.6
307.20523	3.9
308.21225	2.9
323.36078	2.4
335.20172	6.5
363.26883	2.5
373.25262	20.8
391.26266	100.0
391.36044	4.5
392.26755	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	393.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56098	10.9
56.96553	47.0
69.03418	15.0
70.06569	23.3
70.27795	65.3
81.07020	12.1
83.04968	38.5
84.04509	14.0
91.05435	14.2
95.04942	32.5
107.04947	62.5
111.04417	48.5
123.04391	26.2
129.05418	20.2
132.28537	13.5
133.02852	20.4
135.04369	18.2
139.03896	39.6
146.05966	25.5
147.04445	25.5
149.02374	16.6
150.05472	25.3
157.04979	18.5
161.01273	22.9
162.03123	16.5
163.03912	65.8
164.07016	15.0
174.05469	22.3
175.03908	18.2
178.05020	16.5
202.04965	74.0
203.03441	30.6
210.91739	16.5
215.77211	15.2
220.06087	29.8
225.12061	13.6
237.00702	100.0
247.04102	18.4
255.01714	68.7
267.06531	13.5
273.02847	20.5
287.05460	51.0
393.00729	14.5
393.05194	32.2
393.09460	49.5
401.29083	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73096	10.0
56.96549	29.8
56.96984	9.7
62.53255	9.6
63.59155	10.1
69.37823	100.0
77.91157	10.3
79.14293	10.4
85.02898	15.8
93.99816	11.4
98.97558	15.8
110.97550	14.0
119.01906	11.1
133.03494	17.0
143.25757	9.9
163.03947	20.3
170.99628	12.9
213.03308	18.2
219.07146	28.8
237.00729	46.6
255.01685	18.8
291.00116	11.9
393.05536	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2053
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
53.00290	0.4
55.05488	0.3
57.07050	0.6
65.03928	2.4
67.05477	0.5
69.07059	1.9
69.95557	1.7
81.07024	0.6
93.03391	1.9
95.08570	0.6
95.52796	0.2
98.21485	0.3
105.06972	0.3
109.10151	0.4
113.00001	1.3
121.02866	2.0
121.06461	1.1
131.01277	3.1
147.04410	0.8
149.02313	26.9
150.02682	0.3
155.00999	0.5
163.03899	2.0
167.03374	100.0
168.03697	1.6
169.02615	1.5
169.03806	0.3
169.06259	0.3
177.05429	0.3
191.06909	0.4
207.16791	0.3
217.08588	0.5
269.08051	38.2
270.08331	1.2
273.14780	3.6
283.09528	2.0
325.14288	0.3
337.14258	1.0
393.20587	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32313	5.9
52.73438	6.7
53.03924	5.5
55.05494	13.3
55.76252	5.9
57.02318	5.7
57.07058	12.3
67.05489	25.8
67.11083	6.2
69.07048	21.8
69.93515	11.1
69.93932	23.2
79.05470	31.7
81.07040	68.0
83.05006	6.4
83.08611	9.3
91.05455	55.6
93.07025	58.3
95.04955	53.8
95.08590	39.1
98.21421	6.6
105.07011	81.6
107.08572	49.6
109.06490	18.0
109.10136	21.9
115.05451	6.8
117.07025	16.2
119.08559	100.0
121.06492	20.3
121.10110	38.6
123.11703	9.4
129.06996	17.8
131.08530	37.7
133.10112	51.9
135.11673	15.1
142.07770	19.1
143.08560	35.1
144.09332	17.2
145.10081	67.5
147.11670	20.7
155.08536	13.7
156.09346	12.6
157.10152	47.6
159.11678	46.2
161.09592	17.2
161.13251	14.0
169.10103	28.6
171.11658	23.5
171.65686	6.7
173.13266	14.0
175.11153	8.7
175.14821	13.0
181.10043	9.9
183.11691	15.1
185.13197	11.4
197.13242	13.3
199.14861	9.2
201.16380	12.5
209.13313	13.7
236.46196	6.5
261.16544	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	393.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	8.2
55.05496	21.8
56.01934	2.5
57.07053	8.0
59.04991	3.4
59.53107	2.3
64.07246	2.7
65.03923	3.4
67.05492	31.6
69.03403	4.1
69.07052	21.0
69.32913	20.0
69.33337	9.2
79.05482	37.2
81.07036	54.0
83.04935	6.9
83.08597	8.0
91.04919	4.0
91.05460	52.5
92.05675	2.3
93.07024	81.6
95.04951	64.6
95.05573	2.7
95.08588	56.8
97.06549	12.5
103.05457	5.9
105.07009	100.0
107.07916	5.1
107.08578	60.9
109.06491	17.9
109.10130	25.6
111.48867	2.7
112.99996	7.7
115.05404	7.3
117.06999	21.1
119.07739	5.3
119.08560	89.1
121.06477	20.4
121.10117	39.7
123.08076	6.5
123.11666	11.7
127.78654	2.5
128.06174	14.0
129.06950	15.7
130.07756	9.6
131.08539	46.2
133.09174	4.1
133.10106	56.6
135.08028	8.7
135.11679	19.8
135.69008	2.6
136.98090	2.6
137.09583	2.9
141.06937	6.9
142.07756	26.3
143.08540	38.3
144.09309	10.5
145.06427	3.3
145.10095	60.3
147.07979	4.5
147.11676	20.0
149.09595	4.9
153.06949	3.6
155.00694	2.3
155.08533	16.3
156.09346	14.4
157.08847	4.7
157.10101	61.1
158.10875	5.7
159.08009	4.0
159.11642	39.7
161.09633	18.1
161.13234	10.3
163.11147	3.2
165.06960	3.6
167.08557	9.3
168.09337	4.4
169.02548	10.5
169.10069	25.6
170.10896	7.1
171.11636	27.6
172.12500	3.2
173.13254	22.2
175.11150	8.8
175.14757	18.1
179.08536	7.7
180.09311	4.9
181.10104	14.5
182.10818	6.0
183.11668	20.9
185.09451	3.2
185.13158	10.6
186.13826	2.8
187.11134	10.0
187.14706	13.3
193.10077	9.6
194.10895	5.7
195.11673	14.0
196.12302	3.2
197.13156	12.6
199.11113	4.3
199.14893	6.1
201.12729	4.4
201.16345	8.0
207.11649	5.7
209.13217	17.8
210.13988	3.4
211.14784	10.0
213.16335	5.1
217.15887	3.8
219.11601	2.7
219.17484	5.4
220.12428	4.9
221.13136	8.0
223.14703	8.3
225.16357	7.2
227.17824	3.9
235.14737	3.2
237.16301	3.9
253.15732	4.1
253.19452	3.1
261.16400	2.9
265.19543	3.2
275.17816	3.7
375.26749	5.8
393.27582	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	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13666	1.2
55.01857	1.2
55.05502	8.5
67.05486	9.4
67.78452	1.0
69.07056	46.7
70.16689	5.3
73.06537	6.6
79.05478	6.3
81.07045	38.8
82.06577	1.6
83.04963	9.3
83.08602	3.6
85.06537	1.0
91.05466	4.8
93.07030	10.3
95.04952	1.5
95.08578	13.0
97.06508	7.2
97.10168	1.7
98.21242	2.7
99.08062	1.5
103.05487	1.7
105.07011	8.9
107.04930	6.3
107.08567	5.2
109.06510	3.7
109.10140	7.1
110.63264	1.1
117.06997	1.8
117.45993	1.0
119.08571	7.3
121.06531	1.6
121.10119	5.6
123.08016	1.9
123.11689	2.7
125.09624	2.2
129.06993	4.8
131.08548	3.2
133.10118	5.0
135.11702	2.5
139.11180	1.2
139.96727	1.2
142.07759	8.8
143.08536	3.2
144.09384	1.3
145.10136	3.7
147.11668	3.8
149.05975	2.8
149.09627	1.1
149.13257	1.6
155.08543	8.5
157.10106	46.4
157.11418	2.5
158.10455	1.4
159.11678	8.9
161.13266	3.2
161.70187	1.1
167.08496	2.4
169.10147	5.6
171.11649	3.0
173.13216	1.5
175.14798	1.5
179.08516	1.4
181.10149	3.7
181.12181	1.5
182.10951	1.3
183.11633	3.3
185.13235	2.5
192.09277	2.9
193.10121	6.5
195.11633	3.7
197.13231	4.9
199.14897	2.2
205.10065	2.2
207.11613	9.7
208.12383	1.2
209.13216	3.0
211.14865	1.6
219.11768	3.5
220.12402	4.1
221.13202	3.1
223.14865	2.6
225.16313	3.5
231.20961	2.5
234.14037	4.0
235.14806	3.6
247.14801	1.7
249.13768	2.6
249.16347	52.4
249.21921	1.7
250.16994	4.9
251.17867	4.8
253.19508	4.6
266.24710	21.5
267.17361	2.8
279.21039	12.3
280.21231	1.2
375.26077	2.2
375.30347	18.7
381.13562	1.2
393.27325	100.0
394.27795	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	393.2782
Annotation	Apo-10'-zeaxanthinal
Peak:m/z	Relative Intensity
53.03924	1.7
54.80012	0.9
55.01853	2.3
55.05503	12.5
57.03411	4.3
57.07052	2.6
57.28626	1.0
59.60254	0.9
67.05490	16.3
69.03414	6.3
69.07037	5.3
70.06569	2.5
71.04970	2.8
71.70399	1.6
72.08124	1.2
73.06530	3.1
75.04465	3.7
79.05470	11.0
81.03379	2.9
81.06602	1.7
81.07039	20.9
83.04962	28.2
83.08588	4.3
85.02875	3.8
85.06537	9.6
91.05450	13.6
93.07027	20.3
95.01305	2.1
95.04943	12.9
95.08585	18.9
97.02846	2.4
97.06506	3.0
99.04424	3.3
101.05995	17.7
105.01842	1.1
105.07007	22.5
107.04962	1.3
107.08566	14.9
109.02853	2.9
109.06502	7.2
109.10135	12.7
111.04436	2.4
111.08054	3.8
113.05967	2.2
115.05434	1.6
117.07001	7.4
119.08552	18.5
121.06474	5.9
121.10107	13.4
123.08044	9.6
123.11659	2.5
125.09595	3.0
127.03909	3.1
127.07514	1.9
128.06209	3.4
129.06972	5.0
131.08537	14.0
133.06453	1.3
133.10100	11.0
135.08032	3.1
135.11638	6.0
137.05923	1.4
137.09593	2.6
139.07527	4.8
141.06970	3.0
141.09073	10.5
142.07765	3.9
143.08539	14.0
144.09271	2.9
145.10083	20.9
147.04491	1.3
147.07976	2.7
147.11662	19.8
149.09557	3.0
149.13243	3.8
151.11093	1.1
153.06914	1.0
154.07799	1.4
155.08507	8.4
156.09267	2.3
157.10098	19.2
158.19937	0.9
159.08018	4.4
159.11653	25.3
161.09593	4.6
161.13257	6.4
163.11169	2.7
165.07016	1.9
165.09024	1.5
167.08539	2.2
168.09361	1.3
169.01263	1.3
169.10088	11.5
171.07968	1.2
171.11671	13.8
173.09602	3.6
173.13220	9.3
175.11060	2.1
177.09097	1.4
179.08533	2.4
179.10545	2.1
180.09245	1.8
181.10104	5.6
182.10960	2.7
183.11667	9.5
184.12257	1.0
185.09605	2.0
185.13228	8.7
187.11124	2.1
187.14748	3.4
189.09137	1.7
189.12624	2.5
193.10057	3.0
194.10768	2.0
195.11655	11.4
195.13396	1.6
196.12387	1.9
197.13240	10.3
199.14719	8.6
201.12733	1.3
201.16290	1.9
207.06380	1.4
207.11670	3.9
208.12358	1.6
209.13211	10.7
210.65331	1.1
211.11365	1.3
211.14760	7.7
213.12616	2.0
213.16296	5.4
215.14261	2.0
215.17918	2.2
219.11691	1.9
220.12396	1.2
221.11372	1.2
221.13171	5.5
222.13885	1.7
223.14777	6.2
224.15387	1.2
225.16333	7.8
227.14308	1.9
227.17955	3.6
229.15739	1.3
233.13266	2.2
234.13852	1.4
235.14742	5.6
236.15549	2.0
237.11241	3.6
237.16354	5.7
239.18027	1.8
243.13652	1.5
246.13805	1.4
247.14745	2.6
249.16354	9.2
250.17178	1.4
251.14217	1.1
251.15016	1.3
251.17900	24.3
252.18527	1.9
253.19463	39.2
254.19888	1.3
255.21059	7.4
259.14719	1.5
260.15540	1.4
261.16333	3.5
263.17914	3.7
264.18567	1.4
265.10553	1.2
265.15860	1.6
265.19449	2.8
267.17316	1.3
272.10397	4.8
273.16318	2.7
275.17896	3.8
277.19574	4.2
279.21021	13.8
280.21579	1.6
281.22562	3.7
287.17920	1.8
288.18604	2.3
289.19479	3.2
291.17929	1.5
291.20953	6.1
293.22650	3.6
297.22031	1.1
299.54538	1.1
301.19363	1.6
303.21014	6.6
304.21368	1.6
305.22620	3.0
307.20477	1.5
317.22565	5.4
319.20636	2.2
319.24203	7.3
331.10202	2.0
335.23672	5.3
340.26135	1.1
347.27090	1.9
357.25604	4.1
375.26764	24.0
376.27258	1.8
393.27795	100.0
394.28256	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	393.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	3.3
55.01865	6.0
55.05497	20.6
57.07047	9.7
67.05488	33.8
69.03423	12.8
69.07047	27.1
70.06580	3.7
71.04977	15.5
71.69361	4.8
73.06538	5.9
74.41080	2.3
79.05473	31.5
79.91631	2.6
81.03387	4.3
81.07041	100.0
83.04962	51.2
83.06057	2.6
83.08601	8.9
85.02879	2.8
85.06528	38.3
86.09663	3.2
91.05466	29.2
93.07027	61.4
95.01302	7.6
95.04954	34.6
95.08586	68.8
96.12871	2.5
97.06517	15.9
97.10119	6.0
99.04434	4.0
99.08058	7.7
105.07010	61.5
107.08581	49.8
109.06487	11.9
109.10123	41.3
110.07141	42.3
111.08060	38.6
113.05997	23.3
115.07506	4.3
117.06995	8.3
119.08552	44.4
120.08071	6.2
121.02925	2.7
121.10117	41.7
123.08053	6.4
123.11697	24.8
124.03906	7.2
125.09602	8.9
127.07533	3.7
127.08649	4.5
129.07010	8.1
131.08528	25.4
133.10088	33.4
135.08037	3.9
135.11671	19.0
137.05899	3.4
137.09592	14.6
137.13199	5.2
139.11137	9.8
141.09111	4.4
142.07755	5.9
143.08232	15.4
145.10095	29.6
147.11652	39.4
149.13225	10.0
151.11090	12.5
153.12746	5.6
155.10605	9.2
156.07632	16.7
157.10089	19.3
159.11656	19.4
161.13203	20.4
163.11137	5.3
163.14789	3.8
165.12697	13.0
169.12231	17.8
171.11610	14.2
173.13202	9.7
175.11110	6.0
175.14713	6.2
177.16214	2.8
181.12177	6.0
183.13733	11.7
185.13188	3.6
187.14798	16.3
189.12695	3.2
189.16386	10.4
195.13847	2.8
199.14752	2.8
201.16373	10.6
203.17934	10.6
205.15825	8.7
207.17473	3.8
211.14433	4.9
213.16324	25.1
219.17375	6.5
231.17390	20.6
237.18370	14.7
249.09193	2.9
249.18468	33.6
267.19443	47.9
268.19910	2.6
303.23074	5.6
331.11740	8.4
359.11249	13.2
394.16162	3.0
394.20898	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	393.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.6
55.01850	6.4
55.05500	27.4
57.03432	4.4
57.07058	7.2
59.04987	5.0
60.04505	6.8
67.05489	38.0
69.03412	10.1
69.07054	32.7
69.90566	11.0
69.90977	8.7
70.06577	4.9
71.04993	20.7
73.06548	7.8
79.05466	30.4
79.97046	2.8
81.03423	4.6
81.07040	100.0
83.04970	38.3
83.08599	9.4
84.08141	3.4
85.06535	33.8
86.09707	4.4
91.05459	28.2
92.05766	3.6
93.07032	71.7
95.04945	33.4
95.08589	70.3
96.08116	5.6
97.06519	13.8
97.08479	4.9
97.10155	3.8
98.20785	5.6
99.04449	6.9
99.08086	7.5
101.05982	3.0
105.07005	67.9
106.07343	5.9
107.04942	15.4
107.08571	55.4
107.09247	4.9
109.06483	19.4
109.10134	40.6
111.08060	28.6
113.05993	13.3
113.09646	8.0
115.05415	3.5
117.07023	11.8
119.08566	45.6
121.06487	7.1
121.10117	42.3
123.04392	4.9
123.08041	9.3
123.11678	31.4
125.09601	8.7
127.07527	6.8
127.11140	5.4
128.06114	2.6
129.07027	5.1
131.08554	25.7
133.10118	35.1
135.08008	9.2
135.11647	18.6
137.09601	18.2
139.11165	14.3
141.12718	4.0
143.08553	11.8
145.10107	27.2
147.11652	35.3
149.09578	8.0
149.13240	9.9
151.11156	11.8
153.12617	3.3
155.10704	8.9
157.10089	17.5
159.11661	23.0
160.26117	4.1
161.13255	14.1
163.11168	7.5
165.12762	10.8
167.10617	3.8
169.10129	4.2
169.12216	13.5
171.11688	11.3
173.13235	15.2
175.11250	3.5
181.12172	4.1
183.13892	5.6
185.13266	5.1
187.14803	17.2
189.12802	4.2
189.16364	9.1
196.00243	3.0
201.05348	4.0
201.16406	8.6
203.14494	3.9
203.17952	10.1
205.15865	7.3
211.14668	3.2
213.16354	24.5
219.17395	7.1
231.17372	22.7
237.18427	11.7
249.18466	34.6
259.08179	5.2
267.19495	51.1
285.20569	3.7
287.05499	11.4
303.23071	5.5
375.23575	8.5
393.09613	6.3
393.14178	4.5
393.24420	4.8
394.18594	4.7
401.67352	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97832	1.3
53.03939	5.3
55.01856	10.4
55.05491	2.5
57.03425	4.3
57.07065	18.5
62.62423	1.4
63.14242	1.0
63.49918	0.9
69.07047	4.9
70.04700	5.5
71.08617	19.0
73.48236	1.0
81.03405	11.7
81.07029	1.1
83.08587	3.4
85.10165	11.5
98.21080	3.3
99.04453	1.8
109.02863	14.8
115.03918	9.1
123.04379	2.2
127.03893	100.0
128.04247	1.6
141.05432	6.1
163.96407	1.2
168.06570	1.6
169.08534	6.0
179.81424	1.0
183.10133	8.2
197.11673	8.1
207.10945	1.1
211.13301	9.1
216.11145	1.0
225.14810	7.4
239.16351	8.7
253.17891	11.2
267.19513	9.8
281.21121	5.9
295.22665	6.1
309.24228	4.9
323.25858	5.5
337.27448	6.5
351.28970	1.8
393.33588	19.7
395.56714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05486	1.0
65.03948	1.0
67.05479	3.5
69.03403	1.3
69.07048	1.2
69.81543	3.7
69.81964	2.1
70.06574	2.3
79.05477	3.4
81.03390	1.5
81.07057	3.9
83.04981	1.5
83.49375	0.8
85.02901	1.9
85.06517	1.0
86.09660	1.1
91.05463	10.3
93.07014	3.6
95.01316	85.2
95.04931	1.6
95.08584	1.1
96.01667	1.1
97.06505	2.0
98.20780	1.0
101.82014	0.8
105.03342	0.9
105.07001	8.4
107.04901	1.4
107.08576	2.4
109.06477	1.8
109.10101	1.8
115.05431	0.9
117.06985	5.0
119.08562	4.0
120.08073	1.6
121.06502	1.6
121.10130	1.2
123.04367	1.1
123.08103	0.9
124.03954	1.2
125.05976	1.5
127.03902	1.2
129.06987	4.0
131.08553	6.2
133.06468	2.1
133.10141	4.5
137.05939	1.5
139.03970	1.0
141.05580	0.8
141.06985	1.0
142.07739	3.2
143.08533	11.3
145.06477	3.4
145.10100	14.1
146.10414	0.9
147.04378	1.0
147.08015	2.2
147.11679	4.6
151.07568	2.8
155.08545	4.8
157.10098	7.2
159.07999	5.8
159.11656	2.4
161.09596	35.3
165.05505	1.0
165.09068	1.1
167.08527	1.1
169.01251	1.1
171.07993	0.9
173.09590	12.5
175.11176	5.4
177.09082	5.2
179.01613	0.9
179.10692	0.9
183.08047	2.8
185.09618	1.7
189.09116	1.9
191.10614	2.7
201.09070	7.9
203.10677	3.1
207.10144	13.3
211.07497	2.8
219.10132	7.0
229.08493	3.2
237.11177	100.0
238.11493	2.7
239.06946	3.0
247.09622	5.1
251.17987	1.4
257.08014	3.8
263.69315	1.0
265.10684	13.6
272.10379	24.4
305.08359	1.4
331.09583	9.6
349.12784	19.5
350.13168	0.9
359.11267	6.7
377.12326	4.2
394.14963	10.8
394.28445	3.9
394.34961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61744	1.3
55.01863	2.1
65.87322	1.2
67.05506	1.9
68.62082	1.2
69.03415	2.8
70.06571	5.3
70.14400	4.6
71.04230	1.2
72.08154	2.0
72.62554	1.2
79.05480	4.7
81.03383	4.3
81.07041	4.0
83.04934	1.5
84.08102	1.6
85.02868	2.8
86.09685	9.4
91.05458	9.3
93.07013	3.6
95.04947	3.7
95.08550	1.5
97.02857	3.8
100.07561	1.2
104.10651	1.4
105.07013	8.5
106.50438	1.2
107.04936	4.3
109.02843	3.6
109.06470	2.5
111.00780	4.8
115.05386	3.0
117.07019	7.9
119.04890	3.0
119.08556	2.6
120.08077	3.3
121.06483	2.4
123.04403	2.5
125.02318	4.8
127.03851	1.7
128.06210	2.0
129.06964	5.7
131.08530	7.9
133.10086	5.0
135.04359	3.1
137.05943	2.0
141.06960	3.6
142.07762	3.1
143.08542	11.8
145.06500	2.5
145.10107	4.3
147.04353	4.8
151.03891	2.0
153.06932	2.5
155.08531	11.8
157.06340	2.0
157.10124	11.4
159.08025	9.4
159.11652	4.5
161.09595	10.5
165.07008	4.1
166.07715	2.8
167.08542	7.5
168.09337	2.3
169.06393	2.0
169.10039	4.9
171.08038	2.3
171.11646	1.4
173.09586	2.4
175.03737	2.8
177.09108	2.1
178.07726	4.5
179.07039	1.5
179.08528	4.0
180.09209	2.5
181.10086	5.2
182.07228	1.3
183.07997	5.8
183.11705	4.9
184.07271	1.7
185.09612	9.6
186.10374	1.6
187.07538	1.6
192.09259	1.7
193.10098	12.9
195.11638	8.4
197.05881	1.6
197.09593	4.3
199.11057	1.8
201.09090	3.3
203.08618	1.5
203.10646	4.5
205.10086	5.9
207.06439	3.1
207.11711	1.5
209.09543	2.4
211.11093	9.4
213.12709	2.7
215.10664	1.5
221.09720	6.4
223.11163	7.2
225.09126	3.8
227.10522	1.8
229.08632	8.8
231.10173	1.9
239.10573	8.9
241.12143	5.7
247.09622	3.3
249.09145	8.0
251.10657	2.1
255.11049	2.3
257.11734	10.9
266.18323	1.6
267.10120	8.3
269.11646	8.5
275.12778	14.9
285.11203	7.6
287.12643	2.0
288.05673	1.8
295.09641	3.3
303.12323	8.2
313.10593	12.8
331.11700	100.0
332.12003	3.0
349.12762	99.1
350.12976	3.2
359.11176	83.1
360.11502	3.4
363.20392	1.3
366.10123	2.5
377.12265	60.4
378.12552	3.3
394.10291	1.9
394.14682	6.9
394.23285	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	394.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71911	1.0
55.01865	1.6
67.05486	1.6
69.03431	1.4
69.07059	1.1
69.60316	4.1
69.60745	5.6
70.06594	1.1
72.98381	1.1
79.05502	3.3
81.03412	2.5
83.04942	1.4
85.02892	1.9
85.58647	1.2
91.05468	4.4
95.01304	1.6
95.04962	1.5
96.04469	1.1
100.02276	1.1
100.03953	1.1
105.07001	3.6
107.08603	1.7
109.02856	1.6
111.00781	1.3
117.01949	1.1
117.07023	2.0
119.08520	2.2
119.14209	1.2
124.03954	3.2
125.02335	2.4
125.70224	1.1
129.07014	2.8
130.06500	1.1
131.08516	2.6
133.10143	1.8
141.06967	2.4
142.07741	2.5
143.08511	7.8
145.06419	1.5
145.10106	4.9
147.08015	1.4
155.08568	6.8
157.06448	1.3
157.10123	12.9
159.08029	2.6
159.11743	2.0
161.09622	9.3
162.06990	1.3
166.07826	1.3
167.08504	6.1
169.10167	2.5
171.11702	2.0
173.09557	1.9
179.08556	3.6
181.10110	2.6
183.08073	2.5
183.11629	1.6
185.09627	5.8
186.10353	1.6
187.11160	3.5
193.10162	1.2
197.09712	3.3
199.11172	3.2
201.09109	6.1
203.06995	2.4
203.10699	1.7
207.10164	2.7
211.11206	2.3
213.09102	2.3
217.12509	1.4
221.09555	1.7
225.09126	2.1
231.10091	2.1
239.10658	1.3
243.10176	3.1
245.11789	6.4
249.08978	2.1
249.11195	4.8
257.11639	2.7
267.10214	1.2
275.12811	2.5
285.11194	1.4
289.07437	2.4
289.10666	43.4
303.12329	1.9
307.11719	100.0
308.12082	2.7
312.12308	1.8
313.10495	5.3
330.13251	2.7
331.11673	15.6
335.11179	74.6
336.11554	2.7
348.14453	1.6
349.12766	21.0
359.11182	14.5
364.16293	1.2
376.13928	12.7
377.12146	8.0
394.14725	11.5
394.18982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.05497	2.5
57.03438	2.2
61.01132	3.5
61.68076	1.9
67.05524	2.4
69.03422	2.0
70.06582	59.8
72.08127	2.4
79.05479	7.6
81.03429	2.6
83.01325	4.9
84.08122	11.3
85.06551	3.2
86.09673	5.2
91.05466	9.1
93.07018	2.5
95.01326	2.3
97.02875	2.2
98.20738	4.4
100.03981	2.7
105.07029	6.8
107.08611	2.6
115.05412	1.9
117.06998	9.3
118.06874	17.4
119.08538	5.7
121.06468	2.2
124.03953	4.4
125.02354	8.3
127.03917	3.2
129.07005	6.6
129.10213	2.6
130.06520	7.8
131.04958	2.1
131.08553	5.1
132.08055	3.2
133.06430	2.4
133.10129	4.5
137.05972	2.8
141.06970	7.4
142.07735	2.4
143.08504	14.8
145.06438	4.3
145.10109	5.9
147.11629	2.5
154.07748	2.6
155.08604	11.4
157.10129	16.7
159.08041	13.4
159.09192	8.8
159.11702	3.5
161.09586	32.5
162.10236	2.6
167.08553	19.4
169.10121	11.4
170.05959	2.0
171.08060	3.2
171.11700	4.1
173.09579	2.9
173.51463	2.2
175.11272	3.3
176.76053	1.8
179.07092	2.1
179.08553	7.0
181.10104	5.4
183.08200	4.7
183.11668	5.7
185.09595	26.9
187.11143	8.8
193.10150	6.0
195.11699	2.8
197.09596	5.2
199.11118	4.4
201.09004	3.9
203.10660	6.7
205.75293	2.0
207.08234	3.4
207.10043	10.6
211.11197	6.1
213.12740	3.5
215.10634	3.2
223.11272	2.1
229.08688	3.0
229.15448	4.4
231.10156	11.2
232.52179	2.3
239.10597	2.1
243.10175	2.6
245.11880	3.3
249.08934	3.2
249.11218	32.6
257.11740	5.9
261.11108	2.2
263.12885	4.6
267.10257	2.8
275.12796	8.0
284.06027	2.3
285.11322	9.5
287.12744	5.4
289.10678	7.9
295.11755	6.1
303.12234	8.9
307.11603	14.0
313.10626	4.0
314.68463	2.8
315.12173	2.8
315.18848	2.2
330.13321	4.1
331.11722	55.1
333.13391	7.2
335.11185	4.1
348.14349	3.9
349.12762	100.0
359.11182	20.1
376.13718	10.7
377.07666	1.7
377.12234	43.6
394.15039	3.9
394.34454	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	394.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.8
55.05495	5.5
67.57470	4.0
69.03416	8.0
69.98508	19.8
70.06562	13.1
71.04972	7.9
72.08144	20.0
79.05486	9.0
81.03383	4.7
81.07052	19.4
82.29738	3.4
84.04476	7.9
84.08122	3.8
85.02884	9.5
86.09684	6.9
91.05454	16.0
93.07019	5.9
95.04942	5.5
95.08593	5.3
97.02869	5.3
99.04440	14.5
100.07586	5.7
105.07022	50.3
107.04930	35.1
108.05254	9.9
109.02844	9.0
109.06492	11.7
111.04430	4.8
112.04935	3.4
117.07022	6.9
118.08640	6.0
119.04925	16.5
119.08502	4.9
120.08088	16.5
121.02845	3.9
121.06440	3.5
122.05977	4.6
123.04414	21.5
123.08028	3.5
125.05962	5.2
129.06969	3.8
131.08565	6.0
133.06494	4.0
133.10115	39.4
135.04398	4.6
137.05949	100.0
137.09598	4.5
141.06961	3.4
143.08536	8.7
145.06462	5.4
147.04388	25.7
151.03867	5.9
151.11238	4.0
155.08478	8.3
157.10143	6.5
159.08002	7.1
161.06024	8.5
161.09570	17.5
163.03848	3.7
166.08710	5.0
171.07986	3.6
175.03903	16.7
176.04082	5.9
177.05424	4.7
178.04878	3.7
179.10655	57.4
183.11446	4.4
185.09621	5.6
188.17627	3.7
189.09151	4.8
193.04961	6.9
193.10094	7.7
194.05275	6.2
197.05919	6.6
197.10036	4.1
197.11702	78.1
197.13362	6.7
201.12364	4.3
203.03297	4.0
204.03627	6.3
207.06497	26.5
211.11143	5.3
216.08641	10.3
217.08934	6.7
218.05322	5.2
220.09666	9.8
221.07997	4.6
228.08578	4.1
239.10603	7.4
241.09116	3.6
243.02956	5.4
243.06447	19.9
245.04424	11.3
246.04741	8.3
256.07803	4.3
257.11627	7.5
270.09625	5.1
275.12720	7.9
278.13754	4.7
285.11365	4.9
287.05499	18.4
288.05786	37.8
298.08749	3.9
300.05713	5.8
301.11319	4.9
313.10809	5.0
316.09955	6.3
327.45135	4.9
331.11710	47.5
344.09650	4.1
349.12814	68.2
350.13181	6.1
359.11197	46.5
376.12213	36.1
377.12277	38.7
377.20306	5.0
394.09906	15.8
394.14682	24.6
394.23117	9.4
394.34546	4.9
395.11240	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	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35853	3.1
53.03922	7.3
55.01854	5.1
55.05492	10.6
57.03419	7.2
61.02911	7.1
63.45483	3.4
66.67707	3.5
67.05495	19.5
69.03094	4.3
69.03420	46.8
69.07057	65.8
70.06567	6.3
70.12696	3.5
71.04964	11.9
71.68052	3.5
71.68490	5.0
73.02885	6.3
79.05470	14.1
80.05817	4.4
81.03406	34.2
81.07054	23.0
82.07386	3.3
83.04966	22.0
83.08595	5.9
85.02892	100.0
85.06525	13.9
87.00337	3.3
87.00816	36.6
89.28075	3.5
91.05467	17.2
92.43602	3.4
93.07051	24.4
95.04927	11.6
95.08607	21.3
97.02874	34.5
97.06494	3.5
99.04459	15.9
99.05008	3.6
105.01846	40.6
105.07002	20.1
106.07360	5.1
107.08568	21.0
108.04407	4.3
109.02859	36.6
109.10107	15.9
110.10444	6.4
111.04411	9.4
111.08053	14.6
111.11705	19.9
115.03962	5.0
117.06982	3.5
119.08553	14.1
121.06498	6.6
121.10100	13.7
122.10476	3.7
123.04401	3.2
123.08043	6.8
123.11652	9.1
125.09570	3.6
127.03904	56.5
127.11189	9.1
129.01817	4.2
129.12726	14.1
131.08533	11.1
133.10097	17.8
134.10468	6.1
135.11700	6.5
137.09578	5.5
139.07469	5.3
139.11179	9.5
141.09148	4.1
141.12726	9.5
143.08488	6.8
144.08823	3.4
145.04919	22.5
145.10089	14.5
146.10437	6.3
147.11639	10.0
148.11974	9.3
151.11145	7.5
155.08488	4.5
157.10083	14.2
158.10406	9.7
159.02853	12.5
159.11649	19.0
160.12003	9.5
161.09599	9.1
161.13191	3.9
163.11154	6.0
167.07042	4.0
169.09970	4.2
169.12178	5.5
171.11626	11.6
172.11945	6.9
173.13219	7.0
177.12756	5.7
179.10690	5.8
179.14268	4.1
182.10474	3.8
183.11671	5.9
185.13300	4.1
197.13219	7.5
198.13620	6.3
202.13174	3.8
210.13708	4.5
219.13766	9.8
221.61951	3.2
231.04921	12.7
237.14862	10.8
251.18059	7.2
251.29198	3.4
252.18219	12.5
253.19501	29.1
254.19826	61.2
278.19580	4.4
297.16827	5.6
323.14835	25.0
376.27066	9.9
394.28070	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	395.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23666	6.9
55.01839	7.4
56.96545	22.1
65.87330	6.5
67.05498	17.3
69.07037	9.5
69.35026	86.6
70.06566	11.8
71.04977	7.9
81.03429	8.0
81.07037	49.5
83.04974	12.7
84.08165	8.9
85.02880	9.5
85.06520	18.0
87.16224	7.2
91.05466	29.6
93.07032	12.5
95.04959	13.0
95.08589	18.8
97.06506	10.1
97.96780	6.2
98.20651	14.6
98.97557	41.6
105.07010	25.3
107.08571	17.7
109.06569	5.7
109.10168	16.8
109.58681	6.8
110.10408	7.5
110.97540	13.7
111.08041	9.7
114.40404	6.1
116.98588	33.0
119.08606	12.3
121.10116	15.5
123.04403	16.0
123.11694	16.3
125.09621	8.4
126.97994	9.3
128.98567	16.4
133.10152	8.7
134.99648	14.7
135.56114	7.0
145.10100	8.9
146.99617	9.0
147.04517	8.0
147.11691	10.2
149.13277	7.9
157.10132	8.0
158.99698	6.7
159.11627	7.2
161.01230	7.8
162.99060	9.8
170.66098	7.0
189.16153	8.0
207.03293	11.7
213.03908	8.2
219.01746	16.1
224.01747	7.6
225.04501	9.4
237.02711	34.3
243.03003	16.2
245.04352	15.2
251.20012	20.6
305.24722	8.3
309.06326	29.9
327.07474	100.0
346.04388	6.8
360.11557	8.8
369.08566	8.2
395.07242	81.6
395.14868	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	395.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.5
57.07069	6.9
58.97719	0.9
67.05492	15.4
69.03423	2.9
69.07055	6.0
79.05487	6.1
81.07035	12.9
83.04971	1.3
83.08611	3.1
85.02887	2.1
85.06528	36.7
85.07043	1.8
91.05456	6.8
93.07022	12.1
95.04961	1.2
95.05959	0.9
95.08595	9.1
97.06512	1.5
105.07014	13.9
107.08578	10.9
109.10146	10.3
111.08058	0.8
115.07557	2.2
116.26997	0.9
117.06983	3.4
119.08570	9.0
121.10121	9.4
123.11697	1.6
123.91698	0.8
125.09617	5.1
127.03841	0.9
128.06242	1.4
129.06950	4.1
131.08536	9.1
133.10091	10.4
135.11673	3.9
141.06960	2.5
141.09099	3.2
142.07768	2.1
143.08545	14.2
145.10107	13.5
147.11674	18.9
149.09532	1.5
149.13251	1.6
155.08545	5.3
157.10121	15.8
159.11670	21.3
161.13255	8.8
163.11142	1.5
165.09239	1.0
165.12584	1.0
168.09341	1.2
169.10139	5.6
171.11635	15.4
173.13264	6.1
175.14786	1.0
181.10135	1.2
182.69102	0.8
183.11665	6.6
185.13199	6.0
187.14795	2.1
195.11713	1.6
195.13896	1.0
196.12411	1.2
197.13222	8.5
198.13770	1.0
199.14816	10.1
201.16385	1.0
209.13254	3.4
209.63875	0.8
211.14819	6.4
212.15324	1.1
213.16367	3.6
215.17932	1.5
217.16008	0.9
223.14822	2.6
225.16391	3.6
227.17932	1.5
237.16444	1.3
238.17116	2.4
239.17883	2.5
249.16406	1.4
251.17886	6.9
252.18652	1.2
253.19478	100.0
254.19809	7.4
255.21039	5.0
263.17969	1.0
267.21176	1.5
271.20493	1.4
277.19449	1.2
279.21039	3.8
281.19632	0.7
281.22617	18.9
282.23325	2.2
287.19861	1.1
291.21085	0.9
311.23746	1.0
377.28320	13.6
394.17841	1.1
395.29407	31.1
395.34314	1.9
396.29828	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	395.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44096	0.7
55.05487	2.5
57.03423	1.1
57.07050	3.1
61.98224	0.8
65.37106	0.7
67.05489	9.9
69.03387	2.4
69.07043	1.7
69.74126	4.4
79.05485	5.1
81.06621	0.7
81.07043	9.9
83.04942	1.1
83.08575	2.4
85.02879	1.9
85.06039	1.0
85.06529	16.7
91.05458	4.9
93.07033	10.1
95.04942	0.8
95.08591	7.5
105.01813	0.7
105.07008	10.2
107.08577	6.1
109.06493	0.7
109.10126	5.9
115.05377	0.7
115.07553	0.7
117.06996	3.9
119.08543	7.0
121.10138	8.2
125.09602	3.1
128.06137	0.7
129.07010	4.2
131.08545	6.5
133.10101	8.1
135.11668	2.5
141.06987	1.5
141.09103	1.6
142.07736	2.6
143.08545	8.0
145.10092	11.0
147.11647	16.4
149.13200	1.6
155.08522	4.1
156.09293	1.4
157.10086	12.8
159.11668	15.5
161.13246	4.5
163.11131	0.7
169.10109	3.8
171.10217	0.8
171.11650	13.0
172.31255	0.8
173.13246	5.1
175.31728	0.9
183.11635	5.2
185.13196	4.7
187.14833	1.1
195.11581	1.7
196.12460	1.1
197.13239	7.6
198.13889	1.5
199.14862	4.4
199.16417	0.8
209.13139	2.1
211.14731	4.1
212.15588	0.8
213.16307	2.0
223.14726	1.3
224.15556	1.5
225.16270	2.2
227.17929	1.0
229.93184	0.7
237.16370	0.9
238.17067	2.7
251.17949	2.9
253.19466	100.0
254.19751	5.3
255.21049	2.4
279.21091	2.3
281.22559	9.0
282.23233	1.4
377.28519	6.3
395.29361	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	395.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40648	0.8
55.05489	2.4
57.03424	1.3
57.07055	2.6
67.05491	8.4
69.03412	1.2
69.07030	3.2
69.42360	3.9
69.42802	3.9
71.04967	1.0
79.05486	4.1
81.07037	9.7
83.08594	1.4
84.83081	0.7
85.02897	1.1
85.06036	0.9
85.06529	14.3
91.05479	5.2
93.07027	10.0
94.14004	0.7
95.04972	0.8
95.08591	5.4
97.06512	1.1
105.07009	8.5
107.08589	6.9
109.10136	8.5
111.08046	0.9
115.07528	0.8
117.06985	1.8
119.08556	4.7
121.10130	7.9
125.09581	2.7
128.06163	1.3
129.06984	4.3
131.08551	6.7
133.10114	8.3
135.11673	2.2
141.07011	1.7
141.09102	1.1
142.07729	1.8
142.42064	0.7
143.08537	6.3
143.62587	0.8
144.09326	0.9
145.10085	10.0
146.98425	0.8
147.11662	15.1
155.08516	3.2
157.10101	12.6
159.11658	16.0
161.13213	3.8
169.10097	2.8
171.11644	12.1
173.13243	3.0
181.10071	1.7
183.11659	4.9
185.13222	4.5
187.14868	0.9
195.11726	1.5
197.13228	7.0
198.13887	1.0
199.14780	3.2
209.13242	1.6
211.14806	4.0
212.15564	1.2
213.16324	1.7
223.14680	2.0
223.57513	0.7
224.15511	1.0
225.16385	2.7
235.14995	1.0
237.16322	0.8
238.17072	2.7
251.17955	4.9
253.19476	100.0
254.19826	7.2
255.21027	2.8
269.19125	1.0
279.21124	1.6
281.22632	8.6
282.23340	1.5
370.91730	0.9
377.28262	5.9
392.92538	0.8
395.24316	1.0
395.29370	17.0
396.29636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01861	2.7
55.05494	15.5
57.03451	2.0
57.07063	5.2
59.04987	4.5
67.05489	21.6
69.03417	9.5
69.07058	27.7
70.98784	4.2
70.99117	3.4
71.04976	13.0
71.08623	1.8
73.06524	3.1
75.68207	1.6
79.05476	23.4
81.03416	2.0
81.07043	91.0
83.04970	15.4
83.08601	9.5
85.02908	3.1
85.06523	42.7
91.05466	18.0
93.07028	49.9
95.04956	13.3
95.08595	52.9
97.02895	5.4
97.06527	17.9
97.10154	3.7
99.08077	10.5
101.05985	2.5
105.07008	33.9
107.04970	1.8
107.08574	46.5
108.08944	2.3
109.06487	5.2
109.10138	39.7
110.52975	1.7
111.00785	3.0
111.08062	37.9
111.11739	2.3
113.09624	4.5
115.05436	2.0
115.07567	2.0
117.07003	6.5
119.04911	3.4
119.08558	24.9
121.10129	39.7
123.04436	3.5
123.08078	2.7
123.11685	39.5
125.09605	10.6
127.11198	3.3
129.07008	1.8
129.09090	9.1
131.08554	9.4
133.06543	2.1
133.10110	23.2
135.11673	20.8
136.07541	2.5
137.09602	7.1
137.13264	6.7
139.11159	11.1
143.08521	7.7
143.10678	2.1
145.10112	14.5
147.04427	7.4
147.11661	18.7
149.09636	2.9
149.13217	11.0
151.11160	10.5
153.12704	8.2
155.08578	3.7
155.10631	5.1
156.08910	2.3
157.10092	5.0
158.10440	3.4
159.08063	2.2
159.11662	19.9
161.05988	2.0
161.09578	2.5
161.13235	7.0
163.11156	2.6
163.14818	4.4
165.12679	6.5
167.08562	4.5
167.10693	2.1
168.08813	2.2
169.10114	2.2
169.12196	18.1
171.11731	2.5
173.13223	7.6
175.14795	4.3
177.12740	2.8
177.16385	6.3
181.12300	3.5
183.08046	2.5
183.11607	3.9
183.13802	4.0
184.08495	2.7
185.09608	2.7
186.09975	2.9
187.14864	4.3
189.16344	15.2
191.17897	2.9
193.10158	2.7
194.10477	2.3
195.11710	2.3
195.13803	2.5
195.17377	2.6
196.12073	2.4
201.16306	4.4
202.09491	3.0
203.17924	7.3
205.10051	2.8
205.15819	4.1
205.19452	2.1
206.10426	4.0
207.17412	6.5
212.11464	3.1
213.16379	2.5
215.17915	17.8
219.17461	2.5
221.18997	8.4
223.16927	7.2
225.18449	3.1
227.10684	4.7
230.09000	4.9
233.19002	12.6
237.18404	3.1
239.20053	8.9
241.12224	3.3
241.17853	2.2
250.09302	3.0
251.10562	3.8
251.20029	100.0
252.20363	3.0
258.11969	4.2
268.10461	4.0
269.21036	35.7
270.11948	2.4
270.21597	2.4
273.11093	4.1
275.23633	3.2
276.13120	6.5
279.23163	2.4
287.12671	2.4
287.16193	1.7
287.23666	5.4
291.12256	7.2
293.24771	5.5
296.10056	2.1
304.12527	3.1
305.24756	12.0
309.13162	2.1
314.11057	5.5
315.12170	5.9
323.25757	15.6
332.12057	26.2
333.13303	14.9
337.12939	4.6
351.14297	21.2
359.10962	1.9
360.11520	50.3
361.12161	5.2
364.06647	2.8
378.12601	24.8
379.13699	20.5
395.07336	2.4
395.14792	5.4
396.16504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54076	2.0
53.03928	4.3
55.01840	3.7
55.05498	13.4
57.07049	5.7
65.71581	1.7
67.05497	21.5
69.03410	9.5
69.07054	20.7
70.06575	3.2
71.04976	11.5
71.51225	1.6
71.70112	3.6
73.06531	5.0
79.05473	18.4
81.03394	3.9
81.07038	100.0
83.04958	17.7
83.08582	6.9
84.08102	2.5
85.02873	4.3
85.06528	43.1
89.11784	1.9
91.05457	12.6
93.07030	44.3
95.04939	9.9
95.08004	3.9
95.08587	50.4
96.03601	2.1
97.06512	17.4
97.10159	2.9
99.04412	3.0
99.08064	9.2
101.06007	2.0
105.07011	36.7
107.04905	2.3
107.08569	47.1
109.02859	3.6
109.06490	6.0
109.10133	35.4
111.08052	36.9
111.11690	3.6
113.09614	5.4
115.07485	3.7
117.07003	3.4
119.08554	22.3
121.02878	2.9
121.10111	47.1
121.99432	2.0
123.08015	4.0
123.11678	34.0
124.11966	2.6
125.09621	13.3
129.06924	3.0
129.09096	2.2
131.08533	7.1
133.10109	22.1
135.11662	23.2
137.09631	9.3
137.13214	6.5
139.11147	14.8
143.08537	2.9
143.10626	3.2
145.06398	2.4
145.10080	14.0
146.83693	1.8
147.04433	2.2
147.11656	27.7
149.13240	13.1
150.67862	2.1
151.11162	9.5
153.12715	10.6
155.10628	6.6
157.10068	2.7
159.11670	23.2
161.13232	14.5
161.70981	1.9
163.11125	4.4
163.14746	5.0
165.12689	11.5
169.10110	2.2
169.12196	11.6
171.11606	2.1
173.13145	10.6
175.14789	4.7
177.12698	3.4
177.16226	4.7
179.14137	2.7
181.12128	3.4
183.13815	9.6
184.92883	1.9
185.13129	2.8
187.11095	2.0
187.14804	4.5
189.16350	16.3
191.17912	3.7
201.16388	2.8
203.17854	6.9
207.17490	3.5
213.16339	2.3
214.58554	2.2
215.17937	16.1
221.18996	7.3
223.16850	6.7
225.18419	3.3
233.18893	13.6
237.18402	7.4
239.19987	6.8
241.17932	3.3
251.20020	94.1
252.20355	7.7
255.19499	3.0
263.42715	2.0
269.20981	37.1
275.23685	2.9
287.23538	2.9
293.24689	5.6
299.05466	3.8
305.24646	12.6
323.25720	15.8
331.11649	2.2
333.13089	2.4
395.07217	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	396.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08573	4.4
53.03932	6.1
55.01852	11.0
57.03445	4.7
58.83810	4.0
61.02907	9.7
67.05479	9.4
69.03422	21.6
70.06562	11.8
70.69789	15.4
72.08127	5.1
79.05470	7.8
81.03406	20.8
83.04945	5.9
84.04504	5.0
84.08124	10.1
85.02889	100.0
86.09676	9.2
88.57068	4.7
91.03925	6.4
91.05452	12.6
93.07025	4.8
94.06541	5.8
95.04971	9.5
97.02877	36.2
97.55184	4.6
98.21382	6.6
98.73293	4.5
105.06992	7.2
107.04971	8.0
109.02859	29.0
109.10121	4.7
111.04383	8.9
115.05442	6.8
117.05824	4.7
118.83841	4.3
119.04870	4.7
120.08071	5.7
121.06523	5.4
121.91636	5.0
123.04403	16.5
125.01518	4.5
127.03918	24.0
129.05467	4.8
131.04910	5.6
131.08522	9.6
133.02837	6.0
133.10107	6.7
135.04424	13.5
135.08052	9.2
139.03859	6.8
143.08463	7.9
145.04936	42.8
147.04388	8.8
148.07556	12.3
155.08577	6.1
155.29393	5.1
159.04352	5.5
159.08006	19.3
161.05943	10.8
161.09618	22.0
162.05489	10.7
163.03853	44.2
163.07483	18.4
164.04214	6.3
165.07086	4.6
171.02051	9.4
176.07077	47.3
178.04950	6.3
180.08678	8.9
181.08656	5.4
187.03847	16.3
187.07597	5.0
195.11678	12.3
199.01534	21.5
199.09645	15.8
204.06506	45.9
206.09320	9.9
217.02565	5.8
222.07608	14.4
223.11060	6.3
241.12157	11.3
251.10696	9.6
269.11804	8.0
287.12701	10.7
297.11206	8.5
315.12149	40.0
333.13287	69.1
351.14392	36.5
360.14325	9.2
361.12836	7.0
379.13910	10.0
396.12720	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67092	9.3
53.65415	8.3
54.36774	6.9
55.01875	8.9
59.78185	7.8
69.88392	49.0
70.06573	19.4
74.09132	10.0
79.05489	10.4
80.05002	9.0
81.03398	19.1
83.71215	8.6
86.09658	10.4
91.05459	18.9
95.04924	15.6
95.08592	9.1
97.02876	11.0
99.59263	8.9
101.07054	8.1
107.04932	8.9
107.08578	25.5
108.04412	11.8
109.02861	29.8
109.10149	15.5
115.05388	11.9
117.06992	9.3
123.04439	12.9
126.99802	8.7
133.10049	8.5
135.04393	10.5
135.08047	26.5
147.15155	7.7
153.09087	27.4
159.08034	20.3
161.09599	44.4
162.05476	9.3
163.03860	22.5
163.07538	48.5
167.07079	9.0
176.07022	28.1
177.05457	9.0
178.08575	11.9
181.08578	14.0
195.11690	11.4
199.09648	75.9
204.06508	26.3
204.35612	8.4
206.09395	26.2
243.06639	9.1
251.10591	23.8
269.11646	19.5
297.11288	22.2
315.12183	84.9
333.13248	100.0
360.14172	15.9
378.15457	9.4
396.12515	13.9
396.24185	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
55.05490	1.1
67.05499	2.2
68.68346	1.2
69.03420	3.7
70.06570	2.0
70.49277	1.1
71.44710	2.1
71.45042	1.8
74.14082	1.2
79.05483	16.4
81.03407	10.6
81.07017	1.9
84.08136	2.4
91.05456	6.3
93.07033	4.1
95.04953	3.9
95.08585	1.9
97.02875	2.3
97.06519	2.0
103.05453	1.8
105.03375	4.3
105.07015	5.5
107.04945	3.9
107.08581	7.2
113.09630	3.0
117.07001	1.9
119.08578	12.8
120.08118	1.8
120.24534	1.2
121.02841	11.9
121.06496	6.0
121.10131	7.1
123.04404	6.4
124.05335	1.3
129.06973	3.7
131.04890	1.5
131.08548	6.4
133.06453	2.1
135.04449	1.4
135.08069	3.1
136.07529	1.8
136.10176	1.2
137.05984	2.0
137.09656	1.4
141.06963	1.9
142.07819	1.9
143.08536	4.9
145.02802	1.5
145.06462	4.6
146.07260	6.1
147.04370	3.1
147.08023	81.7
148.08443	2.4
149.06009	3.9
149.09575	1.7
153.06975	2.0
155.08536	5.4
157.06419	3.1
157.10074	2.6
158.84761	1.4
159.08035	6.4
161.05951	1.6
162.65768	1.2
163.07547	4.4
165.07014	3.7
165.09058	1.3
166.07788	2.1
167.07091	1.5
167.08553	2.2
169.10109	2.3
171.08031	3.7
171.11652	2.3
173.09642	1.6
176.04738	1.3
177.05447	4.7
179.08458	1.7
180.09331	1.4
181.10023	6.4
183.08041	4.1
184.08733	1.7
185.09659	2.5
191.06996	3.6
192.09441	2.1
195.11722	5.3
197.09500	2.7
197.13275	2.1
199.07523	1.4
199.11137	12.2
204.06418	1.8
207.11713	1.3
208.08771	1.4
209.09607	7.9
210.70825	1.3
211.11024	2.2
223.11124	9.4
225.09064	1.9
225.12733	8.4
227.10609	18.2
233.09607	5.5
237.08948	2.5
241.12259	4.5
245.11723	4.0
251.10652	12.1
253.12158	2.9
255.10100	5.5
269.11661	12.3
272.17819	1.3
273.11136	22.2
273.14114	1.5
279.10092	6.8
287.12857	5.8
297.11163	23.4
315.12210	98.8
316.12576	6.2
333.13269	100.0
334.13593	6.9
343.11801	4.5
361.12799	5.8
378.15466	14.0
392.79279	1.3
396.16562	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	396.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.0
56.59424	1.8
57.07047	3.2
59.04989	2.5
67.05509	4.4
69.03410	5.5
69.07050	27.0
69.47133	17.8
70.06573	5.6
71.04955	2.4
72.11339	1.9
74.49681	1.6
79.05496	3.0
81.03399	3.2
81.07034	8.2
83.04973	2.1
83.08588	2.0
84.08099	2.1
85.02898	6.5
85.06534	2.8
86.09680	2.5
87.00811	3.8
91.05470	3.6
93.07035	6.9
95.08592	10.4
97.02865	4.4
97.06508	3.0
99.04401	1.9
100.96700	2.0
103.03892	2.6
105.06995	4.8
105.12226	1.7
107.04914	2.6
107.08566	7.7
109.10165	2.8
111.11704	12.0
113.05933	2.5
121.10117	25.8
122.05978	1.8
123.08006	2.9
124.07514	2.5
127.03870	4.6
127.07549	4.3
135.11652	8.1
136.07561	6.0
137.09639	2.3
139.07513	2.1
139.11150	65.5
141.09053	5.9
153.12663	3.4
155.14279	11.2
163.11192	2.3
164.07011	4.3
181.12236	16.8
199.13255	100.0
200.13603	2.7
228.69177	1.9
271.35324	2.1
317.14108	2.2
333.13382	3.3
396.21783	3.4
397.15793	2.5
402.81393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	16.4
61.02899	1.2
63.45852	1.0
70.06557	1.6
71.18803	2.6
71.19147	1.4
74.97641	1.1
84.96017	2.8
85.02881	2.3
98.97569	38.1
98.98212	2.0
107.57369	1.2
110.97554	8.9
112.99118	66.8
116.98599	22.1
116.99388	1.5
119.00188	1.3
128.98573	10.6
131.00151	100.0
134.99634	5.0
140.00328	1.2
143.00130	3.6
145.01703	2.5
146.99594	4.8
149.01198	50.6
154.01761	3.5
157.01788	1.6
158.99606	10.3
161.01221	4.5
163.02682	2.0
167.02232	4.2
170.99617	2.7
172.02783	2.3
173.01193	29.2
174.99190	2.1
175.02744	7.0
177.00700	12.8
187.02742	3.5
189.00650	3.5
191.02261	25.0
193.03835	13.3
201.00682	4.7
203.02252	2.1
205.03824	2.3
209.01324	2.7
209.03365	1.5
211.04906	9.7
213.03239	1.3
213.12411	1.0
217.03583	1.3
219.01730	29.1
221.03308	1.3
227.02296	1.8
233.03394	8.4
235.02814	2.1
235.04890	5.6
237.02791	56.7
247.04741	1.2
249.06467	1.2
251.04422	1.5
253.05844	2.8
255.03909	4.4
260.04410	1.5
263.04309	4.3
265.05737	2.4
269.05429	2.3
275.04367	11.8
277.05795	2.1
281.05334	9.8
293.05435	10.9
294.90524	1.3
316.05600	2.0
319.07019	2.5
324.93011	1.2
337.07993	80.4
338.08188	2.7
355.09061	65.8
356.09418	2.6
378.10529	3.8
397.05789	1.7
397.10211	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	397.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18129	0.7
56.96554	13.7
69.82102	4.7
69.82420	1.4
83.12208	0.8
84.96028	3.7
85.02907	0.7
88.02490	0.7
97.96802	0.7
98.20661	0.8
98.97565	39.9
110.97539	9.8
112.99113	80.1
116.98600	18.1
116.99398	1.3
124.99094	0.7
127.00637	1.0
128.98584	11.3
131.00150	100.0
132.00484	1.0
134.99660	4.0
140.00208	0.9
140.98595	1.0
143.00139	4.3
144.98090	0.8
145.01662	1.8
145.75308	0.8
146.99615	5.3
149.01201	43.9
152.98534	1.7
154.01762	2.0
155.00122	0.9
157.01752	0.7
158.99629	11.8
161.01224	5.2
162.99004	1.0
163.02795	1.6
165.00676	1.2
167.02254	3.1
167.44138	0.8
170.99602	3.9
172.02852	1.3
173.01196	33.2
173.54834	0.7
175.02740	6.1
177.00661	9.4
179.02232	1.0
185.01350	0.9
187.02806	3.0
189.00720	3.2
191.02235	24.6
193.03830	15.5
195.01695	0.8
201.00699	4.9
203.02287	1.5
205.03804	3.1
209.01199	2.9
209.03123	1.1
211.04860	9.1
215.02289	1.4
217.03867	1.5
219.01738	42.8
227.02252	2.6
233.03287	6.1
235.04832	1.7
237.02782	65.0
238.03195	1.1
242.03340	1.2
247.04913	1.0
255.03833	4.2
255.46045	0.7
257.03421	1.3
260.04501	1.1
263.04407	3.2
275.04327	12.1
277.05893	2.0
279.07257	0.9
281.05338	7.9
293.05399	13.6
319.07025	2.0
337.07996	51.8
338.08459	1.8
355.09061	43.2
356.09512	1.1
378.10614	2.0
397.10117	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	397.3094
Annotation	beta-Micropteroxanthin
Peak:m/z	Relative Intensity
55.05511	7.0
57.03414	3.4
57.07077	1.2
61.00841	1.2
66.04179	1.0
67.05489	12.1
69.03400	1.8
69.07056	39.1
70.12144	3.8
70.12553	2.6
71.04975	1.3
73.06540	5.8
73.85925	1.1
79.05464	8.2
81.07041	24.8
83.04947	1.3
83.08604	2.9
85.06520	2.6
91.05457	14.3
92.05792	1.7
93.07038	15.1
93.26458	1.1
93.50829	1.1
95.04924	2.6
95.08583	14.7
97.06519	6.7
97.10118	1.9
98.21163	2.6
99.08080	5.6
105.07010	21.5
107.08571	13.2
109.06471	4.3
109.10147	13.6
115.07542	2.9
117.06998	4.8
119.08544	10.2
121.06486	4.6
121.10127	11.7
123.08028	2.2
123.11652	2.8
125.09589	8.5
125.40543	1.2
127.11167	3.7
128.06134	1.2
129.06970	3.0
130.07765	1.6
131.07741	1.6
131.08548	11.1
133.10106	15.5
135.11671	8.9
139.11139	2.4
141.06987	2.0
142.07735	2.4
143.08513	10.8
144.09241	1.6
145.10086	15.6
147.11662	27.2
149.13268	5.8
155.08542	3.8
157.10088	16.4
159.11676	21.4
161.13214	13.3
163.11076	1.2
163.14833	1.5
165.12718	2.3
169.10118	2.8
171.11661	13.6
173.13225	6.2
174.94250	1.2
175.14780	5.5
181.12201	3.9
183.11662	3.7
184.07465	1.3
185.13194	4.5
187.14763	2.9
196.27026	1.2
197.13248	7.8
199.14772	3.5
201.16342	2.4
209.13152	1.5
211.14821	3.7
213.16322	4.9
215.17905	24.2
227.17783	2.0
229.19482	1.4
235.15166	1.3
238.17198	1.3
239.17819	1.7
251.18007	2.8
253.19467	100.0
254.19899	3.5
267.02219	1.3
269.31985	1.2
271.20578	4.3
280.30228	1.1
281.22549	1.2
283.24103	10.4
283.70139	1.3
309.27402	1.3
334.27298	3.1
369.10196	1.4
379.30014	12.1
397.30914	44.4
398.31128	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3093
Annotation	alpha-Micropteroxanthin B
Peak:m/z	Relative Intensity
52.54607	0.9
53.03938	1.1
55.05509	5.4
56.96544	2.0
57.03420	2.9
61.02888	1.3
67.05484	10.2
69.03396	1.1
69.07057	31.3
69.19445	0.9
69.72327	6.1
69.72739	1.4
70.15881	0.9
73.06547	5.0
74.92064	0.9
79.05486	8.6
81.06601	1.6
81.07045	16.7
81.96339	0.9
83.08602	3.1
85.02910	1.0
85.06552	2.0
86.09697	1.1
91.05458	8.3
93.07034	16.1
94.07365	1.0
95.04974	2.0
95.08577	10.5
97.06528	5.5
98.20804	1.6
98.21416	2.0
99.08086	2.9
104.91201	1.0
105.07004	20.1
107.08585	11.8
109.06519	2.2
109.10136	12.5
115.07535	3.6
117.07014	4.2
119.08562	12.1
121.06503	2.1
121.10123	11.2
123.08070	2.3
123.11681	1.8
125.09621	6.7
127.11163	2.4
129.06964	3.1
131.08546	9.1
132.67435	1.0
133.10118	11.6
135.11670	7.2
138.01366	1.1
139.11229	1.2
142.07773	2.2
143.08524	13.4
145.10098	14.0
147.11664	23.3
149.13263	4.0
155.08572	2.5
157.10097	15.4
159.11670	19.6
161.13213	10.4
163.11165	2.4
165.12732	1.6
169.10095	3.7
171.11659	13.4
173.13223	6.1
175.14832	2.6
181.10245	1.3
181.12209	4.7
182.10841	1.4
183.11708	4.0
184.07301	1.3
185.13278	4.4
187.14815	2.2
197.13228	6.6
199.14810	4.3
201.16354	1.9
209.13087	1.1
211.14835	3.2
213.16341	4.0
215.17906	15.5
223.14821	1.6
224.15549	1.2
225.16399	2.9
227.17828	1.8
229.19617	1.2
251.17931	2.2
253.19479	100.0
254.19943	3.7
261.18442	1.5
271.20276	2.1
283.24179	7.0
379.29865	11.4
397.30972	35.5
398.31180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87966	2.4
55.05506	14.0
57.07075	18.6
65.15821	2.6
67.05497	28.5
69.07058	35.0
71.08314	2.0
71.08621	20.3
71.57755	3.4
79.05478	16.9
81.07043	67.9
83.08602	22.2
83.14637	2.6
85.10155	15.4
91.05441	13.9
93.07026	26.4
95.08591	63.8
97.10160	15.5
99.11682	2.7
104.04234	2.2
105.07022	33.1
107.08572	27.3
109.10137	52.2
111.11697	8.7
117.07006	2.8
119.08562	29.6
121.10141	19.5
123.11698	18.4
125.13203	3.1
131.08469	3.3
133.10115	26.2
135.11668	45.1
137.13229	8.8
145.10129	5.9
147.11658	73.0
149.13228	22.9
151.14763	5.3
158.57574	2.6
159.11693	8.3
161.13235	55.2
163.14854	9.4
165.16371	4.4
173.13321	2.7
175.14813	25.7
177.16373	4.9
187.14868	4.9
189.16380	15.1
201.16344	10.0
203.17908	10.6
203.76094	2.4
215.17918	11.1
217.19452	4.0
229.19275	4.7
233.16145	2.7
243.21062	8.6
247.24162	4.6
257.22607	5.1
261.25729	5.1
275.27231	3.9
287.27289	4.5
299.27255	3.1
301.29056	3.6
315.30515	5.2
346.25616	2.5
397.38232	100.0
398.38647	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74190	0.3
56.96558	8.8
60.30478	0.3
62.24045	0.3
70.04396	2.0
71.95251	1.8
98.97567	68.2
116.98604	57.0
130.93282	0.9
134.99638	29.4
140.00162	1.4
153.00714	3.2
158.01236	1.2
165.04753	0.4
168.94081	0.4
172.94313	2.9
177.00839	0.3
190.95360	4.4
192.98705	0.7
208.96466	2.4
214.95369	1.6
216.98703	0.7
227.39517	0.3
232.96434	8.3
233.96910	0.4
234.99747	1.2
250.97496	5.3
255.97865	0.4
256.96420	11.6
258.99753	2.9
260.00006	0.6
260.99661	0.4
274.97473	100.0
275.97800	1.7
276.97974	0.4
277.00815	5.1
278.01035	0.7
279.01022	0.4
280.96634	0.4
292.98523	66.7
293.98892	1.0
294.98941	0.4
297.99081	4.7
298.97662	3.5
299.97726	0.4
300.97665	0.4
301.00903	1.5
302.01080	0.5
310.08582	0.3
310.99600	0.5
313.51895	0.3
316.00116	2.9
316.98767	7.8
317.98868	1.1
318.98767	0.5
334.99646	0.4
340.00122	0.6
356.98578	1.0
374.99323	3.8
398.97586	1.1
400.74237	0.3
416.98865	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	399.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43869	3.1
55.05485	6.7
56.05017	11.3
56.20673	4.2
56.96552	37.3
61.01129	4.0
67.80359	3.2
69.03425	18.9
69.48638	32.4
70.06589	8.4
70.07027	3.2
71.08619	5.2
74.02418	4.0
74.06055	7.4
74.72360	3.4
81.03387	4.9
83.04961	6.5
84.96027	7.3
85.02884	28.3
88.70425	3.4
89.03893	9.6
95.04948	7.5
97.02880	63.5
98.21514	7.1
98.97565	49.1
101.05968	5.1
102.05524	22.2
107.04955	6.1
109.02866	4.3
110.97549	7.5
111.04407	10.0
112.07604	4.9
112.99117	3.6
116.98594	37.8
117.03329	7.5
119.01909	22.8
119.04914	4.7
121.06491	9.7
123.04370	8.5
124.60130	3.3
127.03903	10.7
128.98567	16.5
129.05418	5.9
130.08607	5.7
131.00182	5.8
131.01878	8.1
134.99626	24.2
135.04388	19.0
136.06171	66.3
137.02312	13.1
139.03862	17.9
143.00128	13.2
145.03554	6.2
145.06458	3.8
146.99622	20.6
147.04279	4.5
147.06482	5.9
149.01144	8.9
151.03874	5.2
153.05411	9.2
155.01912	5.1
157.03459	7.1
158.99591	9.1
161.01183	18.9
161.02875	7.9
163.03874	58.0
164.04247	7.4
167.01991	4.1
170.99646	5.1
173.01251	3.2
173.02911	11.0
177.00653	14.4
183.04936	4.1
185.02838	4.0
186.04333	4.9
187.04507	5.3
189.00603	8.7
194.17604	3.6
195.01350	23.5
197.02892	15.5
201.00607	6.3
204.05481	5.7
205.05540	4.4
206.08145	6.2
207.08403	4.7
211.04544	5.6
213.00633	16.2
213.02449	21.8
215.04030	6.0
219.01703	34.7
221.02922	4.6
221.04971	5.6
227.02101	5.6
229.03560	5.0
231.01578	9.5
231.03636	22.2
237.02713	71.7
239.03917	6.6
245.05064	6.5
249.02405	10.1
250.09305	54.7
251.03940	6.8
254.98055	4.6
255.03571	43.0
260.04306	6.4
261.02786	4.5
263.03833	9.1
267.03580	11.0
268.10538	5.0
273.04645	5.7
279.03421	22.3
281.04950	13.0
285.04568	7.2
291.03461	15.5
297.04401	12.4
298.09622	10.5
309.04404	3.8
321.04376	6.7
339.05521	100.0
357.06754	73.0
358.07001	5.6
375.07990	5.6
380.08371	7.3
393.08636	20.8
399.06247	30.2
399.12759	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	399.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.8
58.00308	3.4
60.06071	3.6
67.05481	6.6
69.03414	6.3
70.06583	25.8
70.37469	15.2
71.08619	7.2
85.02881	14.1
86.09676	7.1
91.05457	36.2
95.04927	5.7
95.08540	4.0
97.02878	11.7
97.86861	3.7
101.80576	3.8
105.06979	4.9
107.08569	5.0
110.06086	4.2
119.04923	39.1
122.08322	5.8
123.04403	4.1
135.08040	4.1
135.30957	4.3
136.06177	8.0
147.04382	38.9
148.09921	17.7
151.03897	7.8
163.03786	5.2
167.07045	6.5
175.03876	62.6
176.04301	4.2
177.05472	4.1
177.08961	5.1
179.07079	6.0
191.07124	6.3
207.06477	100.0
208.09657	9.9
224.06778	4.3
225.07008	12.1
237.10942	4.7
237.15009	7.6
250.09373	10.5
327.20621	6.0
370.41205	3.8
399.11023	27.6
399.14542	5.7
399.19324	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1911
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
52.82554	0.5
55.01837	0.5
55.05510	2.9
56.05816	0.5
57.03404	1.0
57.07064	1.2
57.25880	0.5
64.12584	0.6
65.03925	0.6
67.05500	2.7
68.05001	0.5
69.03410	1.4
69.07059	2.9
70.06581	2.2
70.25098	2.6
70.75946	0.5
71.08615	1.0
79.05481	3.3
79.05867	0.5
81.07042	5.1
83.04959	1.1
83.08610	1.3
84.04486	0.5
84.08174	0.5
85.02890	0.9
85.10172	0.7
91.05461	2.9
92.04974	0.8
93.07042	4.1
94.06554	1.4
95.04930	1.1
95.08582	3.4
96.08115	0.6
97.02898	1.1
97.06513	1.2
97.10156	0.7
99.08049	0.6
101.06016	1.2
105.07011	4.9
107.08581	6.6
107.27985	0.5
108.08110	1.3
109.06479	1.4
109.10158	3.3
117.07001	0.9
119.08554	1.9
120.08078	1.4
121.10110	2.1
122.06021	0.7
122.09647	1.4
123.08096	0.8
123.11691	1.2
124.07580	1.9
125.09617	0.8
129.05486	0.8
131.08577	2.0
132.08098	1.4
133.08960	0.5
133.10106	3.2
134.09613	5.0
135.08052	1.4
135.11650	2.0
136.06143	1.8
136.07539	2.4
136.11182	1.6
137.09601	0.6
138.09113	1.6
143.08563	1.4
145.10085	1.5
146.05989	0.8
147.06595	1.3
147.11650	1.6
148.07570	1.0
148.11208	1.2
149.11955	1.3
150.09111	1.1
150.12791	1.4
151.09949	3.2
151.11002	0.7
152.10622	1.3
152.11765	0.6
157.10092	1.6
159.11682	1.9
161.06024	0.8
161.13329	1.1
162.09128	11.8
163.09871	0.7
163.11156	1.2
164.07098	2.8
164.10722	4.2
165.09087	1.8
166.04977	8.4
167.07124	1.4
169.10101	0.7
171.06744	0.8
171.11656	1.1
173.13225	1.4
176.10635	1.6
176.14412	3.0
177.11469	2.2
177.12831	0.7
177.99637	0.6
178.04977	3.8
178.12244	9.5
178.15886	2.5
180.13802	15.1
180.15300	1.1
181.14037	0.7
188.14322	0.6
192.06517	5.1
192.13797	1.3
194.04544	0.6
197.13174	0.9
200.10864	0.7
204.13815	25.3
205.14375	2.2
206.15373	63.0
207.15701	3.4
212.09435	1.7
213.16431	0.7
215.14349	0.6
220.13289	1.2
227.11787	2.5
228.10161	1.5
241.09669	0.8
246.11172	2.0
250.09224	1.5
255.11279	2.2
257.12863	1.1
270.09695	0.9
271.20602	2.0
272.08881	1.1
273.12289	1.4
283.10730	14.0
285.08508	0.8
301.11807	11.0
303.04828	0.7
329.11227	5.4
353.18625	2.8
354.59027	0.7
363.16742	0.8
371.19516	1.9
381.18152	2.0
399.19101	100.0
400.19388	8.1
411.81638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01860	1.2
55.05237	1.0
55.05503	16.6
57.03429	8.2
57.07074	3.5
59.00619	0.5
59.04985	0.8
65.18861	0.5
67.05498	6.2
69.03421	3.3
69.06693	1.1
69.07059	22.0
70.06579	4.0
70.80847	0.6
70.81206	1.7
71.04984	3.7
71.06883	1.0
71.08610	1.7
72.28539	0.6
73.06534	1.1
77.52760	0.5
79.05476	5.1
81.03406	1.9
81.06613	0.7
81.07049	10.3
83.04958	1.7
83.08606	23.7
84.08973	1.0
85.02877	2.1
85.06520	2.1
85.10159	0.7
86.09702	0.9
87.00821	1.0
87.04440	0.9
88.24039	0.7
91.05460	2.3
93.07027	9.5
95.04958	1.5
95.08595	5.3
97.02873	1.5
97.06515	7.8
97.10156	5.1
98.98457	1.8
99.08091	0.7
101.05925	0.6
105.01836	0.8
105.07011	3.3
107.04958	0.7
107.08581	9.7
109.02840	1.3
109.06492	2.3
109.10129	4.7
111.08080	5.2
117.06990	0.6
119.08549	1.8
121.06563	1.3
121.10139	4.4
123.04456	1.3
123.08054	0.7
123.11683	1.6
125.09623	2.1
125.13247	0.9
127.03836	1.3
127.08691	0.6
128.09012	0.8
131.08542	1.0
133.10104	0.8
135.11676	1.0
137.09589	0.6
137.13268	0.6
139.03954	0.6
140.69684	0.6
145.10094	1.2
147.07994	0.8
147.11652	0.8
149.13245	13.3
151.07576	0.6
151.11084	0.6
155.01041	0.6
159.08018	0.7
161.06053	0.6
163.11101	0.6
167.07056	3.3
167.14285	6.4
168.07408	1.6
173.09608	0.8
175.07515	0.6
177.12724	0.7
185.15388	1.2
191.10497	0.7
195.13898	0.9
210.18578	0.7
213.63826	0.5
222.37177	0.5
228.19525	1.6
229.15424	1.5
230.15785	2.7
241.18001	1.5
243.13837	1.7
259.19016	100.0
260.19373	4.3
261.14746	1.4
315.08728	0.9
369.79797	0.6
390.96756	0.6
400.08817	4.0
401.08319	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	401.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74742	2.0
53.03927	2.1
57.66806	1.9
60.99285	2.1
63.93777	1.8
65.45821	2.0
67.05484	2.8
69.03423	4.0
69.94989	11.7
70.06586	4.7
78.04716	2.6
79.05482	13.1
81.03409	2.6
81.07048	4.8
81.35645	2.3
85.02870	2.8
86.09676	2.6
91.05461	8.2
95.04946	4.5
97.06541	2.3
98.20724	2.7
100.45176	1.8
105.06973	4.6
107.04949	30.4
107.08597	3.0
109.10153	3.0
115.05450	5.0
117.06976	4.1
119.04962	2.0
120.08118	2.3
123.04409	7.0
124.05193	5.1
125.05971	3.6
128.06184	4.7
129.06972	8.2
130.07742	2.0
131.08539	7.4
137.05937	5.4
141.06935	3.3
144.05682	6.9
145.06422	10.7
151.03932	2.9
151.07442	2.4
152.04689	3.1
153.01788	7.5
156.05635	12.0
157.06419	2.5
158.96417	2.1
159.07994	17.6
161.05951	4.2
163.03839	3.7
165.05571	2.1
167.07024	100.0
171.37958	2.1
173.05931	3.7
179.07022	2.7
186.06818	4.6
187.07509	12.0
191.08566	2.2
193.08574	5.1
195.06509	3.7
197.69489	2.1
202.06224	5.0
202.07848	3.5
203.08553	4.3
205.06590	4.3
205.08588	12.5
207.06496	6.9
208.05151	21.2
213.05424	2.8
217.08525	27.0
218.07196	4.0
219.08025	10.8
219.10185	6.5
220.08858	4.5
221.06007	4.6
229.08565	4.8
231.08089	6.4
232.08929	2.8
233.09576	2.9
235.07568	2.9
236.04645	5.2
237.09030	2.6
238.06250	2.3
239.06972	2.1
240.04056	2.8
246.06612	3.2
247.07439	12.6
247.09647	17.7
248.08202	10.1
249.05507	3.8
249.09088	3.9
251.10556	5.0
253.04865	2.2
254.05725	8.1
257.04453	2.9
259.07602	3.5
261.09103	4.4
262.09772	3.2
263.07080	3.7
263.10681	12.5
264.07819	6.0
265.08499	4.6
267.06516	7.8
269.07986	27.1
271.09601	6.4
272.06711	3.1
275.07034	5.0
276.07770	7.0
277.05521	2.2
277.08496	5.9
278.05646	2.7
279.10159	9.2
281.08240	2.4
282.06033	2.6
282.08749	13.0
290.09348	4.2
290.31775	2.4
291.10059	17.5
292.07202	3.6
293.08060	9.8
296.10422	4.4
299.08960	4.3
300.06363	2.8
301.07034	3.6
305.08023	4.1
306.08801	2.3
307.06415	2.1
307.09579	12.4
308.10501	6.1
310.08286	9.0
311.12662	3.9
315.08600	82.0
316.09109	2.6
319.09653	11.7
321.07584	4.6
322.08292	3.0
323.12656	13.4
325.10580	4.0
328.09326	8.0
330.10931	83.2
331.11639	12.4
336.09906	6.9
337.10657	6.6
339.12335	9.0
343.11655	23.1
351.12231	28.0
352.12653	2.8
353.10138	8.6
368.12491	9.4
369.13046	3.4
371.14737	4.5
383.14859	55.9
384.15103	3.2
401.10797	3.9
401.16058	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	401.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.5
55.01849	2.8
67.05479	2.8
69.03407	3.6
69.07046	2.1
69.35316	21.7
70.06565	2.4
70.30606	1.9
77.67059	2.1
78.04685	2.4
79.05485	17.1
81.03381	2.2
81.07049	3.9
85.02882	1.8
91.05449	9.2
92.30246	2.0
93.07015	2.1
95.01308	2.7
95.04942	8.5
95.08582	2.1
99.04417	4.9
105.07002	2.6
107.04937	35.5
107.08544	4.6
109.10113	4.0
115.05441	4.0
116.06183	2.1
117.06960	2.8
119.04960	2.2
121.10067	1.9
123.04382	6.3
124.05174	5.4
125.05965	4.7
128.06137	4.4
129.06966	7.2
131.04874	3.1
131.08553	9.9
132.05655	3.4
137.05980	11.3
139.03877	3.1
141.06970	6.7
144.05685	6.9
145.06445	5.0
147.04434	2.0
149.09604	2.4
151.03873	3.0
151.07510	2.9
152.04666	2.9
153.05447	2.3
153.09050	2.0
156.05682	11.4
157.06422	3.9
159.08058	18.6
161.05888	4.2
163.03885	4.6
165.06927	2.8
167.07014	100.0
168.07274	2.1
169.06479	5.3
173.05954	6.4
174.06816	2.6
177.05424	2.3
177.09094	2.4
179.07053	4.3
181.04961	4.4
181.06412	2.9
181.08592	3.7
184.05202	4.4
186.06633	1.9
187.07515	9.6
189.08893	2.4
190.06229	2.3
191.06975	5.0
191.08554	2.9
193.08548	5.0
195.04817	2.1
195.06502	3.4
202.06215	4.4
202.07788	2.0
203.08597	3.7
205.06638	3.6
205.08577	15.2
205.09937	1.7
206.07172	2.0
207.06494	6.6
208.05106	16.4
208.08621	2.1
210.06732	2.9
217.08557	35.4
217.10477	2.6
218.07158	4.0
219.08014	11.1
219.10088	5.8
220.08728	5.4
221.05931	5.2
226.06079	2.1
229.08522	5.1
231.08000	6.6
231.10211	4.7
233.05911	3.2
233.09557	5.9
234.06677	3.4
235.07449	3.5
236.04601	10.0
236.08333	4.7
237.09065	3.7
238.06155	3.6
239.06859	3.2
240.04173	2.1
245.09462	3.6
247.07452	12.5
247.09630	22.3
248.08249	11.0
249.09044	4.4
250.06226	2.9
254.05769	10.5
255.06432	3.5
257.04373	2.9
259.07504	4.6
260.08356	2.7
261.05453	2.4
261.09097	5.1
262.06381	2.0
262.09869	6.0
263.06805	2.5
263.10635	7.2
264.07788	6.5
265.08545	5.7
267.06445	7.2
268.03564	3.6
269.08032	18.5
271.09619	7.8
272.06744	3.7
275.06937	5.4
276.07831	8.4
277.08453	6.1
278.05801	1.9
278.09079	2.3
279.06741	1.7
279.10187	8.0
281.08282	3.0
281.11752	3.0
282.05673	3.9
282.08844	13.4
284.06882	2.3
285.07547	2.5
287.09085	2.7
289.08481	2.9
290.09302	4.4
291.10107	14.1
292.07175	6.3
292.10422	3.4
293.08005	9.1
294.08777	2.4
299.09167	6.1
300.06339	3.1
304.07050	3.8
307.09521	14.7
308.10400	6.3
309.11078	4.0
310.08215	8.2
311.12683	4.5
315.08560	68.1
316.08865	3.9
319.09702	9.4
320.10529	2.6
321.07483	4.8
321.11157	3.4
323.12756	17.0
327.04977	3.8
328.09183	4.4
330.10922	79.6
331.11566	16.3
336.09668	4.7
337.10660	7.2
339.12381	10.4
343.11697	20.8
351.12213	34.0
352.12756	5.3
353.09998	7.4
356.12485	3.7
368.12509	9.8
369.13293	4.2
371.15204	4.0
383.14844	68.6
384.15140	4.1
401.09885	17.7
401.15869	18.2
402.10312	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01863	1.7
55.05499	2.8
67.05504	3.8
69.03423	2.6
69.07050	2.2
70.06570	2.1
71.70458	1.3
78.04710	1.9
79.05485	14.1
81.03395	2.7
81.07038	5.4
81.45787	1.4
83.04956	2.9
84.04479	1.4
85.02896	2.7
85.64698	1.3
91.05470	6.9
93.07041	4.7
94.04153	1.3
95.04954	5.0
95.08577	3.6
97.02871	1.8
97.06497	2.7
103.05431	1.5
105.07043	4.0
107.04934	29.8
107.08576	4.4
109.10147	5.1
111.04420	1.3
115.05435	3.7
116.06207	3.2
117.07008	5.2
119.08546	4.3
121.06493	2.7
123.04427	5.4
124.05194	7.6
125.05978	4.4
126.06336	1.4
128.06183	3.1
129.07021	7.1
131.04842	1.7
131.08546	8.6
132.05702	1.5
133.06479	4.1
133.10117	2.2
137.05940	4.0
137.09567	2.1
139.03819	1.6
141.06987	4.3
144.05635	7.4
145.06468	5.7
145.10158	1.6
147.04384	2.1
149.05994	1.5
151.03941	2.0
151.07545	3.7
153.05464	2.9
156.05653	9.4
157.06476	2.6
158.07234	2.6
159.08034	14.7
161.05946	2.8
161.49736	1.4
163.03897	2.9
165.06943	1.7
165.09097	4.4
167.07021	100.0
169.06378	2.8
170.07274	1.7
173.05974	4.7
174.06787	1.5
175.07521	1.8
179.07019	2.8
179.08507	1.3
179.10506	1.3
181.04900	1.7
181.08572	3.7
184.05141	2.3
186.06773	3.1
187.07520	9.9
189.05423	1.8
189.07002	1.4
190.06169	1.9
190.07716	1.7
191.07025	4.4
191.08589	3.1
191.10368	1.4
193.08600	4.9
195.06465	3.4
198.06728	1.7
201.09099	2.6
202.06140	3.2
202.07758	3.0
203.08411	3.2
205.06650	2.3
205.08548	17.3
206.07368	1.7
207.06445	5.3
207.09973	1.5
208.05156	24.7
208.08784	2.9
209.07993	2.5
210.06734	2.6
211.07573	3.0
215.06932	2.1
217.06500	1.4
217.08556	29.1
217.10481	1.8
218.07246	3.6
219.08018	12.8
219.10173	3.8
220.08786	3.8
221.05945	6.0
222.38716	1.4
225.05460	2.0
229.08572	5.2
230.07230	2.4
231.08044	7.9
231.09964	2.1
232.08876	2.1
233.05966	3.6
233.09590	5.2
235.07460	3.6
236.04648	7.4
236.08310	3.8
237.09116	2.9
238.06302	2.5
239.06995	3.5
240.04094	3.3
241.08443	2.1
245.09689	2.4
246.06717	3.7
247.07475	11.5
247.09676	20.3
248.08235	11.2
248.57732	1.5
249.05450	3.4
249.09128	1.8
251.10593	2.5
254.05739	9.9
256.07053	1.6
257.04385	2.6
259.07565	3.6
260.08279	1.7
261.05786	1.4
261.09052	5.1
262.09830	3.7
263.07178	3.4
263.10645	10.0
264.04330	1.3
264.07727	6.5
265.08383	6.2
267.06473	10.1
268.03763	2.8
269.08066	21.3
270.08606	1.6
271.05978	2.2
271.09628	7.0
272.06693	3.7
274.06152	1.4
275.06976	5.9
276.07700	9.7
277.08490	6.3
278.09207	1.8
279.07437	1.4
279.10132	8.8
280.10690	2.1
281.08014	2.8
282.05276	3.8
282.08823	14.7
285.07544	2.3
287.09085	3.4
290.09265	7.0
291.10056	15.5
292.07224	4.6
293.08029	10.9
296.10364	1.9
299.09079	5.5
300.05975	2.5
301.06964	4.7
303.06866	1.7
304.07333	2.3
305.08176	2.0
306.08685	1.4
307.09546	10.2
308.10373	8.0
309.07764	1.6
309.11224	2.5
310.08417	8.4
311.12799	3.7
313.07028	1.9
315.08560	68.9
316.09256	3.1
317.14005	1.9
319.09634	9.0
320.10828	1.7
321.07391	4.2
321.11047	2.4
322.08545	1.6
322.11990	1.8
323.09253	2.9
323.12692	15.5
325.10886	2.3
328.09384	6.8
329.10083	1.9
330.10931	92.5
331.11563	13.9
333.11606	1.5
335.08929	1.6
336.09888	5.3
337.10645	7.6
338.11267	1.7
339.12106	6.5
341.06406	2.6
341.10077	1.8
343.11771	24.4
350.11185	1.6
351.12244	31.5
352.12982	3.9
353.10016	6.2
356.12518	3.9
368.12534	9.9
369.13205	3.3
371.14713	4.4
383.14896	63.2
384.15222	2.4
401.16010	15.0
401.27051	1.5
413.75763	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89454	0.8
56.96547	1.2
57.04536	2.5
58.06592	15.5
65.39420	0.9
67.05491	2.5
69.07043	2.8
70.59505	3.1
75.64709	0.9
79.05479	10.3
81.03399	6.6
81.07058	3.3
91.05452	4.9
93.07027	4.1
95.04925	5.4
97.06476	1.4
98.21344	1.3
105.07015	6.5
107.04942	1.4
107.08582	8.3
109.06499	1.3
111.04438	1.0
115.05431	0.9
115.13293	1.0
117.07022	2.7
119.08552	2.9
121.02817	1.8
121.06491	3.8
129.07050	1.3
131.08542	3.7
133.06503	1.5
133.10117	5.3
134.06001	1.1
135.04323	0.9
141.06992	1.3
142.07765	0.9
143.08557	4.5
145.06429	2.8
145.10085	1.8
147.08076	1.3
149.05867	1.2
151.07562	1.8
152.18448	0.9
155.08495	1.4
157.10051	1.9
159.08011	5.5
159.11641	1.0
161.05959	9.8
161.09584	16.7
161.10854	1.4
162.10030	1.1
167.07016	2.8
167.08537	3.3
169.10016	1.8
171.07974	1.6
177.09084	1.7
181.10043	1.2
183.07988	1.2
185.09569	3.3
195.08147	1.3
197.09685	1.1
205.08595	1.3
207.11743	2.2
209.13345	0.9
211.07745	0.9
211.11021	1.4
225.12723	3.4
231.10049	1.4
235.11166	3.6
237.12825	1.9
249.11171	3.5
253.12270	4.6
265.12323	1.0
271.13199	8.1
281.11804	4.4
292.13361	1.9
298.08698	0.9
299.12711	14.7
299.15842	1.5
314.13831	1.0
315.08731	1.3
317.13788	100.0
318.14319	4.9
330.10730	2.4
332.14929	4.2
338.13742	4.9
345.13254	1.6
356.10593	0.7
356.14886	19.1
357.13278	2.7
360.14294	18.3
374.15887	2.8
383.14999	1.8
401.12683	1.2
401.17163	17.2
402.15103	6.3
419.10056	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01849	0.9
55.05500	15.5
65.03925	0.6
67.05492	9.8
67.97794	0.5
69.03415	1.6
69.07047	1.5
70.06576	2.2
71.04958	0.7
71.69019	0.5
71.69440	1.1
72.08162	0.8
79.05471	2.4
81.03421	0.9
81.07041	7.2
83.04967	100.0
84.05313	1.6
84.08122	0.5
85.02877	1.0
86.09675	1.5
87.05573	1.3
91.05477	1.2
93.07034	2.0
95.04955	1.5
95.08596	3.7
97.02881	0.9
97.06516	1.8
99.04421	0.6
101.05997	1.0
103.05451	0.8
105.07025	2.1
107.08580	2.3
109.02801	0.6
109.06508	0.9
109.10138	21.6
110.10507	1.0
115.05444	0.7
117.07021	0.9
119.03407	0.6
119.08559	2.3
120.08096	4.3
121.06527	0.6
121.08437	2.6
121.10148	0.8
123.04428	1.1
123.08033	0.6
125.05949	0.6
125.09621	0.7
127.03933	0.5
127.07572	0.6
131.08589	0.7
133.06485	1.4
133.10091	0.8
135.08028	0.8
135.11601	0.6
137.06004	0.8
137.09593	27.8
138.09923	0.6
139.03894	1.1
145.08461	0.5
145.11389	0.6
147.08046	1.0
151.03841	0.6
153.01799	0.9
153.05524	0.5
155.10658	2.2
159.07962	0.6
161.06035	0.7
163.03966	0.6
163.07513	0.6
163.09453	0.6
163.37009	0.4
165.09088	26.2
165.12837	0.6
166.09381	0.8
167.07008	4.5
175.07414	0.6
183.10127	1.2
193.08572	4.4
201.11209	1.8
203.17206	0.5
205.08650	0.5
207.11440	2.8
208.11609	2.8
217.08554	0.7
228.17528	0.6
236.11330	0.5
239.16606	0.7
255.12303	1.5
283.11679	2.4
315.08566	0.7
330.10843	0.6
356.09753	0.6
383.14899	0.6
401.10019	17.1
401.18100	19.4
401.28912	0.9
402.10214	1.5
402.18762	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	402.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01862	1.2
56.96550	1.3
57.03417	1.6
59.04974	0.6
61.02903	1.9
62.53225	0.5
65.03921	1.4
68.99778	0.8
69.03415	5.7
70.06580	2.5
71.04959	2.1
71.67634	0.8
73.02911	1.2
79.05482	0.9
81.03406	6.7
81.07047	3.4
84.08104	0.8
85.02894	10.8
87.00804	3.7
89.76056	0.5
91.05466	15.5
91.06038	0.8
92.04989	9.4
93.05781	1.2
94.06550	2.8
95.04937	0.6
97.02876	4.4
98.06044	0.9
98.97559	1.7
99.04443	2.5
103.03919	0.6
105.01852	2.7
109.02866	6.2
109.06486	1.0
110.06022	13.0
116.98605	1.3
117.01826	0.5
119.04923	10.1
121.02793	0.5
122.06026	1.4
123.04396	1.7
127.03902	7.7
129.01778	1.0
134.99609	0.9
135.04382	1.0
136.07530	0.9
137.05954	100.0
138.06299	1.8
139.03856	1.3
140.07056	2.4
145.04939	1.2
146.99623	0.7
152.07045	1.2
154.08604	18.4
158.99614	0.6
159.02875	2.1
161.01050	0.5
161.02931	0.9
163.03851	2.0
179.00209	0.6
180.00562	0.6
182.55693	0.4
187.06020	0.8
196.54245	0.4
197.01187	1.3
198.01508	1.5
219.01662	0.6
220.02109	0.5
228.98065	0.5
231.04948	0.6
237.02759	1.8
238.03159	0.7
272.11246	1.7
282.08151	0.9
316.13803	2.5
324.04633	1.4
324.09113	0.5
342.05731	1.5
358.14728	0.6
360.06784	1.5
370.18387	2.2
402.13910	13.0
402.21124	17.4
403.14172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	8.3
57.03426	1.2
57.31915	1.0
61.02929	0.9
69.03415	2.5
70.06573	1.9
70.33259	0.8
70.98129	1.2
72.08171	1.2
84.08107	1.3
84.96012	1.1
85.02898	2.7
97.02853	2.6
98.97565	10.4
101.59500	0.9
110.97557	1.7
112.92237	1.4
112.99104	3.1
116.98610	6.9
128.98586	2.5
130.93275	81.8
131.00137	3.6
132.93655	1.1
134.99567	4.3
135.04414	1.6
136.06146	2.4
137.06517	1.3
143.00131	1.5
145.02850	0.9
146.99643	1.1
147.02330	1.2
147.52293	0.9
148.94319	28.0
149.01212	2.1
153.00607	1.3
154.93236	6.8
155.01186	2.4
161.01199	2.5
162.95906	6.8
163.03931	4.1
164.95963	1.0
165.00798	1.1
165.02280	0.9
166.95383	5.2
167.01195	1.2
170.99651	1.1
171.02408	1.1
171.95930	1.2
172.94313	54.1
173.01175	1.6
174.95882	14.7
176.01675	1.9
177.00743	2.7
178.04869	1.0
180.96938	2.2
181.62135	1.0
186.99057	1.2
190.95370	100.0
191.02330	1.8
192.97031	5.4
196.94374	2.7
197.02251	1.9
198.03960	1.2
198.53922	1.1
198.95900	2.2
200.97279	1.1
201.00822	3.2
203.02380	0.8
204.96951	17.9
205.00340	1.0
206.02739	5.3
206.98595	1.5
208.96436	46.3
213.97020	3.6
214.95361	21.3
215.03368	1.7
216.96927	17.9
217.00192	1.5
218.94800	1.7
219.01892	7.1
222.97975	12.4
229.00352	2.6
230.98627	1.3
231.98103	1.5
232.96416	76.7
234.97966	9.5
237.02779	4.1
239.03435	1.0
240.10872	3.2
241.11279	2.0
244.96407	3.4
246.97913	5.4
247.01581	2.1
248.56609	1.5
248.95932	2.7
250.97491	40.3
253.53967	1.1
255.04451	1.3
255.98041	2.9
256.05402	1.5
256.96439	6.0
258.97900	1.2
262.97504	5.3
264.99057	4.2
267.04382	1.0
268.54980	1.0
272.95880	8.5
273.98981	1.4
274.97519	6.6
282.94247	6.6
284.04880	1.9
284.95898	1.6
288.95471	1.7
290.93762	2.0
290.96960	26.7
292.98422	1.3
299.58267	1.9
300.95398	42.8
302.96957	1.6
304.98401	1.1
307.06857	2.3
308.98016	8.0
312.95444	6.6
314.97003	2.1
316.98523	1.9
317.01999	1.0
318.96448	42.6
323.97079	2.1
329.02072	3.9
329.08920	2.5
329.58810	2.0
330.92941	0.8
330.96439	18.2
332.98065	3.1
336.97507	9.8
337.08090	9.8
337.58002	2.1
341.97925	2.0
342.96442	20.5
347.03140	2.0
348.97485	2.7
359.99097	1.2
360.97485	32.1
361.01535	1.4
361.08575	1.9
361.97760	1.5
378.98605	3.8
383.99069	1.6
403.09891	4.0
421.10605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.5
57.07067	7.7
65.03939	9.3
67.05497	11.6
68.65503	7.4
68.99756	9.2
69.03419	35.8
70.06572	23.1
71.64626	12.7
72.08138	24.2
76.41802	9.2
79.05484	13.6
81.03423	16.3
83.04961	30.3
85.02879	38.3
86.09684	39.5
91.05454	30.4
93.07015	68.0
95.04951	21.8
97.02864	9.7
109.02930	12.5
111.04433	28.0
119.04894	8.2
121.02850	18.3
121.06486	100.0
121.63346	9.6
123.04435	67.0
124.03921	17.2
127.03896	12.5
129.05507	15.1
137.02356	11.0
139.03885	33.2
149.09595	10.4
151.03836	11.4
155.10670	12.0
157.04871	8.8
159.11700	13.3
163.03859	36.4
179.03394	10.3
183.02850	8.1
192.74457	9.3
194.87794	7.8
195.03027	8.5
205.12192	44.7
223.11339	7.7
223.13185	52.8
260.99564	8.2
299.61264	9.6
403.13696	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54459	4.8
53.03936	9.1
55.01854	7.8
58.27937	4.7
58.86689	5.8
59.39373	4.7
61.02877	5.4
67.05493	14.6
69.03410	21.9
69.07037	8.4
69.68654	9.1
69.69067	39.5
70.06578	20.5
72.08136	17.0
79.05466	5.2
80.76714	4.9
81.03419	14.6
83.04953	19.7
84.04476	5.9
84.08128	9.8
85.02874	37.7
86.09698	30.8
87.00797	5.9
91.05474	20.1
93.03388	8.2
93.07037	60.6
95.04945	29.4
95.08601	9.0
97.02863	10.6
99.04404	7.0
105.01845	7.7
105.07034	5.7
107.04939	5.2
107.08568	10.2
109.02864	12.7
109.06532	8.2
111.04404	26.7
117.07008	5.7
119.08594	6.9
121.02894	7.6
121.06495	100.0
121.10172	7.0
122.06088	6.4
123.04404	56.6
123.08015	8.8
124.03880	5.4
127.03896	17.1
129.05431	8.7
131.08569	7.2
133.02838	7.6
133.10042	5.8
135.04428	7.8
137.05966	7.7
137.09639	8.0
138.05473	7.4
139.03929	27.3
145.04831	6.5
149.09645	13.1
150.03157	5.4
151.03905	9.5
151.07529	8.6
159.11693	10.7
163.03900	36.1
166.04996	8.2
177.12717	7.7
179.03403	13.4
205.12210	59.8
212.07071	9.8
223.13237	44.3
234.59914	6.4
236.89476	5.5
372.65640	6.0
403.13934	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.5
55.01847	0.6
55.05499	1.4
57.03419	0.8
58.26566	0.3
59.04980	0.3
61.02929	1.2
63.54288	0.2
69.03415	3.7
71.04984	2.3
71.08536	0.5
73.02897	0.4
73.06543	0.5
78.03432	1.8
79.04202	0.4
80.05009	1.5
81.03403	1.8
83.04964	3.9
85.02886	9.2
86.03252	0.2
87.04446	0.3
91.03909	0.4
95.04950	0.3
96.04480	1.9
97.02866	2.5
101.05996	5.5
106.02165	0.4
106.02892	9.4
109.02847	0.9
117.90034	0.3
123.04430	0.4
124.03925	100.0
125.04279	2.4
127.03912	2.3
131.60431	0.2
139.03905	0.2
145.04955	1.6
160.29521	0.2
194.87575	0.3
206.08105	0.6
224.09126	6.7
239.10876	0.3
242.10179	48.3
243.10596	2.0
268.08084	1.1
290.18906	0.3
404.15475	1.1
405.06647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48285	0.2
52.76531	0.3
53.03924	0.7
55.05504	1.6
57.03429	0.8
61.02912	1.0
61.93287	0.3
64.88909	0.2
69.03418	2.9
71.04980	1.0
71.44658	0.6
72.08131	0.3
78.03428	1.4
80.04994	2.1
81.03405	1.9
81.07707	0.3
83.04966	4.4
85.02885	7.2
87.04448	0.3
93.49558	0.3
96.04466	1.9
97.02865	2.3
99.04454	0.6
101.06006	5.1
101.83697	0.3
106.02901	6.6
107.04931	0.3
109.02879	1.3
114.94106	0.3
123.04398	0.6
124.03929	100.0
125.04273	2.6
127.03878	1.6
145.04912	1.1
163.03947	0.3
166.05054	0.3
194.99153	0.3
206.08105	0.5
224.09109	5.2
224.11122	0.5
242.10194	35.7
243.10542	1.4
250.06998	1.0
268.08163	3.1
285.51678	0.3
343.57034	0.3
404.15329	1.0
405.05350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	1.0
60.04517	100.0
60.05629	1.5
60.08155	5.0
65.03961	0.7
66.26220	0.7
67.05482	2.1
69.03414	0.9
69.07049	0.8
70.06587	1.1
79.05479	7.3
79.60303	0.8
81.03413	4.3
81.07032	2.3
85.02890	1.1
91.05464	2.9
93.07039	2.8
95.04943	3.1
95.08563	1.1
105.07014	3.9
107.04933	1.3
107.08562	5.2
117.07020	0.9
119.08598	1.8
121.02863	1.9
121.06476	5.4
121.10110	0.8
128.94919	0.7
131.08502	1.3
133.06569	0.9
133.10133	2.5
137.05962	3.9
138.06335	1.3
138.09914	0.8
143.08527	2.0
145.06476	1.4
145.10115	1.9
147.04379	1.4
149.05984	1.2
151.07628	1.1
153.81895	0.7
155.08551	1.1
157.10089	1.5
159.08051	1.8
159.11630	0.9
161.05952	7.7
161.09619	11.8
165.05528	0.9
165.09079	0.7
167.07022	3.5
169.10013	1.1
171.08029	1.1
181.10040	0.9
185.09584	2.3
193.10144	1.0
197.09633	0.9
205.08575	1.1
207.11697	1.1
211.11084	1.1
225.12714	2.8
235.11198	2.7
237.12874	1.0
249.11165	1.2
253.12209	2.7
268.25323	0.8
271.13205	6.1
272.13504	1.0
281.11642	3.5
299.12704	8.4
302.14435	1.0
317.13800	45.8
318.14008	2.2
345.13525	0.9
377.13565	0.9
398.90973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04513	100.0
67.05483	2.0
69.07039	1.7
71.70225	1.7
79.05478	11.7
79.12016	1.1
81.03407	5.9
91.05449	3.5
93.07005	2.8
93.25413	1.3
95.04935	3.1
105.07013	4.4
107.04934	1.2
107.08575	7.2
119.08559	2.1
121.02843	2.1
121.06458	4.7
131.08504	3.4
133.10074	3.0
143.08540	3.6
145.10095	3.1
149.05971	2.5
159.08040	2.9
161.05968	10.5
161.09599	20.1
169.10129	1.4
173.29236	1.5
181.10133	1.6
185.09558	4.4
195.08022	1.5
203.10655	2.0
207.11682	1.4
211.11269	2.5
225.12704	3.4
235.11209	2.4
237.12677	1.2
249.11189	3.6
253.12199	4.1
271.13190	9.8
281.11646	3.3
299.12671	14.3
317.13779	79.0
318.14075	2.6
345.13324	1.5
404.16943	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
54.54233	0.4
55.01861	0.8
55.05499	0.6
56.05021	0.6
64.11988	0.5
66.78147	0.4
67.05471	1.9
68.05007	0.5
69.03416	1.0
69.07024	0.5
70.06585	3.8
71.04980	0.6
72.04489	1.0
79.05469	1.9
80.04984	1.6
81.03384	1.1
81.07038	1.0
82.06551	1.1
84.08102	0.5
85.02873	1.4
91.05466	3.8
93.07017	2.1
94.06554	0.6
95.04961	1.2
96.04464	1.2
97.02872	0.7
97.06501	0.6
98.06023	0.6
99.17514	0.5
100.07590	1.3
102.72831	0.5
103.05435	0.5
105.07011	3.3
106.06530	1.4
107.04922	1.2
107.08588	0.8
108.04430	0.7
108.08096	1.7
109.06496	1.0
110.06011	4.9
117.06995	2.8
119.08530	1.1
121.06432	1.0
122.06008	2.1
123.00748	0.5
123.04398	1.5
124.07544	2.3
126.05518	1.1
126.09112	0.9
128.06219	1.1
128.07053	14.3
129.07008	2.3
131.04947	0.5
131.08524	2.8
133.06421	0.9
133.10089	0.8
134.05984	1.6
135.04410	0.7
135.06763	1.2
135.07755	0.5
136.07558	3.1
138.09096	0.7
140.07030	3.1
141.06964	2.2
143.08525	5.0
145.06487	1.0
145.10085	2.2
147.07977	0.7
152.07037	15.9
153.07880	1.1
154.07552	1.2
154.08778	2.6
157.10095	3.6
159.08026	2.2
159.11641	2.4
161.09573	1.9
163.07503	0.9
163.11092	0.6
165.06952	0.8
165.09082	0.8
167.08522	13.2
169.01289	0.9
169.10103	4.1
170.07222	1.0
171.07887	0.7
177.05431	1.8
183.11626	0.7
185.09583	15.0
187.11172	2.7
195.11681	0.9
197.13210	0.7
203.10652	2.7
205.10156	0.6
213.09084	1.4
231.10114	3.9
239.08261	0.6
245.12939	0.6
249.11185	7.7
250.11583	0.6
253.09746	0.8
294.14630	1.1
296.16388	0.7
299.10284	0.8
312.15924	1.6
314.17355	2.7
322.14258	0.7
329.10764	0.7
330.16965	4.1
332.18488	0.6
340.15292	2.4
345.10800	1.4
355.08932	0.7
358.16403	5.2
373.10266	1.6
376.17465	11.8
377.17911	1.2
386.16000	7.4
404.16965	100.0
405.17261	7.3
414.32382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1699
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
51.05277	0.5
51.27745	0.5
53.03925	0.7
58.50861	0.5
58.74454	0.6
67.05482	0.8
69.03399	0.9
69.50294	2.8
69.50725	2.2
70.06585	2.8
74.06059	1.1
79.05457	1.7
80.05000	5.2
81.03403	2.4
82.06531	0.6
85.68073	0.5
88.32037	0.7
91.05491	1.3
94.06565	1.1
96.08121	2.3
98.20724	1.2
105.07001	1.1
108.04443	2.0
109.02873	0.6
110.06040	1.1
113.98390	0.6
117.06992	1.3
122.06005	1.6
123.04410	1.2
124.06741	0.9
124.07571	8.0
126.05513	4.2
128.06215	0.9
128.07066	2.3
129.07022	1.0
131.08574	1.5
133.10115	0.8
136.07541	1.4
140.07042	2.1
141.06952	1.0
143.08546	1.9
145.10172	1.4
152.07047	64.9
153.07384	1.6
154.07568	0.8
154.08656	2.0
157.10155	3.6
157.34425	0.5
159.08018	0.7
159.11729	1.0
161.09607	0.7
167.08563	5.5
169.10088	2.9
177.05458	2.1
178.08623	0.8
185.09587	5.5
186.10023	0.8
195.08055	0.7
195.11600	1.1
203.10591	1.1
207.11723	1.0
213.09100	1.0
231.10110	1.5
249.11331	1.7
253.11993	0.8
284.16397	0.9
294.14868	2.2
296.16318	0.6
312.15927	2.0
314.17572	1.4
322.14230	1.0
330.17047	1.9
340.15378	5.4
358.16452	17.0
359.16846	0.9
376.12863	1.3
376.17493	20.8
376.22272	1.0
377.17694	0.8
386.15887	2.9
404.16989	100.0
405.17242	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	404.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85857	3.7
69.03361	4.4
70.88425	11.3
79.05476	4.2
86.89555	3.4
91.05460	4.9
93.07022	3.8
93.94276	3.5
95.01335	24.6
97.06511	5.9
105.07076	4.6
107.08557	4.3
123.04373	5.8
131.08617	9.6
137.02328	3.5
139.03831	6.7
142.38037	3.7
153.05499	3.9
159.08041	36.1
161.09554	5.9
167.07051	12.4
172.49353	3.6
173.09660	4.1
182.58029	3.7
193.08749	3.8
201.09167	5.7
205.08656	6.6
247.09470	3.8
251.10641	4.0
269.11734	5.5
315.12186	36.3
333.13281	100.0
343.11694	16.0
386.16211	6.3
404.17056	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1699
Annotation	Oxoepistephamiersine
Peak:m/z	Relative Intensity
53.03920	2.0
55.01859	0.5
55.79447	0.4
58.66572	0.5
65.74931	0.4
65.87611	0.4
67.05479	1.8
68.04996	0.4
69.03399	1.0
70.06561	1.9
70.74617	0.8
70.74981	1.2
71.04955	0.5
74.06042	0.9
78.20390	0.5
79.05457	2.4
80.05002	11.4
80.46228	0.5
81.03401	5.9
81.07018	1.4
82.02906	0.8
82.06561	0.6
83.04982	0.7
85.02885	0.7
91.05453	1.9
93.06992	0.8
94.06567	2.3
94.83152	0.4
95.04949	0.9
96.04453	0.7
96.08118	5.9
98.06017	1.0
105.07000	1.8
106.06550	1.0
107.04964	0.5
108.04448	3.9
108.08136	0.8
109.02853	1.1
109.10138	1.2
110.06009	1.4
112.07617	0.6
117.06981	2.0
122.05997	3.4
123.00755	2.8
123.04367	0.8
124.03918	0.6
124.07563	12.8
126.05492	5.1
127.03886	0.7
128.06195	0.8
128.07022	2.5
129.06966	1.4
129.37267	0.5
131.08525	1.8
133.10117	0.7
134.05977	0.7
135.06763	0.9
136.03786	0.6
136.07541	1.4
137.09584	2.9
140.07036	2.8
141.01772	2.0
141.06932	0.7
142.07759	0.7
143.08542	2.1
145.04811	0.6
145.10112	1.0
147.04375	0.9
152.07037	100.0
153.07320	3.5
154.08611	2.0
155.08626	0.5
157.10071	3.4
159.08058	1.7
159.11653	1.5
161.09602	0.8
165.09093	2.2
167.07130	1.0
167.08504	7.1
169.01306	4.9
169.10107	2.6
177.05463	0.6
181.10059	1.1
185.09578	5.8
187.11153	0.8
195.11642	1.1
195.42329	0.5
203.10597	1.1
205.10246	0.6
207.11662	1.9
209.13062	0.5
213.09033	1.0
223.11070	0.5
231.10030	0.7
249.11171	1.5
253.12302	1.0
266.15308	0.7
267.10309	0.6
268.16879	0.7
269.11758	0.6
284.16324	0.9
294.14755	3.0
296.16382	1.6
312.15894	2.1
314.17410	0.6
322.14359	1.3
330.16946	2.0
340.15390	7.7
341.15662	0.6
345.10785	0.8
358.16431	23.9
359.16882	1.7
373.10184	0.7
376.17477	38.8
377.17880	2.5
386.15955	2.3
395.97076	0.6
404.16974	75.8
405.17371	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	404.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31066	2.8
53.03931	5.0
53.13133	2.9
55.01844	10.5
55.05488	8.2
58.87608	3.6
60.04493	4.5
67.05479	10.5
69.03414	13.4
70.06563	4.4
71.04977	16.6
71.70033	3.4
71.70435	5.3
77.49684	3.1
79.05476	14.5
81.03409	8.3
81.07037	40.4
85.02892	20.4
85.03318	3.2
85.06510	5.5
86.09667	26.5
91.05459	22.5
93.07036	32.6
94.07324	3.5
95.01300	8.4
95.04949	11.1
95.08572	14.2
95.90811	3.0
97.02886	27.8
97.06503	6.4
99.04432	50.9
103.05460	5.9
105.07008	60.4
105.26865	3.1
105.76640	3.3
107.04956	6.8
107.08569	18.1
109.06485	9.6
109.10155	33.2
111.04424	11.8
111.08081	20.9
113.02327	9.9
113.05959	3.1
117.07069	3.0
119.08537	9.8
120.08084	19.6
120.08842	3.2
121.06464	11.6
121.10096	4.6
123.00768	8.6
123.04379	10.9
123.08018	5.4
125.05978	3.6
128.06194	4.2
131.04829	4.8
131.08569	4.8
133.06485	4.8
133.10106	84.8
135.04404	5.2
135.11703	4.5
137.05968	19.1
137.09579	35.4
139.03879	42.3
141.01711	5.4
143.03394	6.3
143.08507	12.5
145.10098	5.7
147.04332	3.9
147.08029	17.0
151.03864	14.5
151.07446	4.5
151.11172	6.5
153.05408	5.3
155.10655	9.0
161.09599	97.8
163.03848	9.3
163.07484	4.1
163.11134	17.7
165.09100	70.4
167.06989	25.9
167.49023	2.8
169.01270	5.5
171.08084	3.9
177.05382	4.8
179.10657	41.5
181.04938	4.1
183.10138	38.8
189.05458	5.9
189.09016	33.1
193.08549	23.9
197.07088	6.4
201.11212	28.3
207.10132	27.9
207.13503	5.2
211.08611	12.7
219.10136	5.8
225.06538	9.6
225.11244	100.0
226.11514	4.2
239.08078	29.0
239.13748	4.7
242.13838	3.8
243.07594	5.0
245.12793	35.1
253.09680	18.0
255.11229	6.8
257.09186	9.1
259.07327	5.2
267.07599	14.0
271.10718	9.5
281.09094	18.7
285.08694	6.8
289.11740	4.5
293.08859	3.6
299.10104	26.9
309.08685	28.6
327.09677	48.8
329.11258	5.7
337.07803	3.6
345.10703	88.3
355.09186	5.2
373.10229	59.3
387.11526	7.3
404.20929	4.4
405.12814	11.4
413.46005	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	405.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.1
57.72401	0.8
65.22192	0.7
65.83616	0.7
67.05475	2.1
69.03397	1.2
69.35341	9.4
70.06561	1.5
79.05463	1.3
80.04998	0.8
81.03420	1.4
81.07009	1.0
83.04981	0.9
83.08556	0.9
85.02900	1.0
85.53440	0.7
86.09669	2.5
91.05449	1.3
91.57114	0.7
93.07021	1.4
94.06514	1.6
95.04928	1.6
95.08559	1.2
97.02837	1.3
97.06528	0.9
98.21447	1.8
105.07031	1.4
106.48689	0.7
107.04966	0.9
107.08552	1.3
108.08109	1.5
109.02829	0.9
109.10126	5.4
110.06003	0.8
119.08589	1.3
121.06473	1.4
121.10104	1.0
122.06015	2.6
123.04394	1.7
130.06493	4.5
131.08479	1.3
132.04414	1.4
133.10051	1.2
137.05908	1.2
137.09543	0.9
145.10144	0.8
146.05974	1.2
147.04300	0.8
157.07584	1.7
158.05957	1.8
159.09212	1.1
161.10727	0.9
164.07112	1.1
165.09100	1.1
167.07045	3.3
173.12820	1.5
177.03423	0.8
181.04834	0.8
183.09103	1.1
184.07623	1.7
185.07069	1.3
188.07028	1.5
189.10205	2.9
193.08638	1.0
197.07057	8.0
197.10677	1.7
198.07759	1.4
198.09309	1.1
199.08649	3.1
199.12296	0.8
200.10698	1.0
201.10272	0.9
202.08582	1.7
205.09724	0.8
209.15353	1.1
210.07751	1.4
211.08641	13.8
212.09361	1.5
213.10121	3.9
215.08157	0.7
216.10069	0.9
225.06575	12.5
225.10167	10.3
226.07109	1.3
227.08067	2.4
227.11774	2.9
228.10184	1.9
229.09668	2.2
235.08643	1.7
237.10289	1.1
238.07187	0.8
239.04353	2.1
239.08115	29.7
240.08791	2.7
241.09669	1.5
243.07698	3.8
245.12823	35.9
246.12839	1.3
252.08881	1.1
253.05974	1.3
253.09688	20.3
254.10196	1.2
255.07602	3.0
255.11119	2.9
257.05490	2.5
257.09198	14.9
259.10870	1.6
263.08078	1.2
267.07596	14.2
268.08191	0.8
269.09274	0.8
271.07437	1.4
271.10693	13.7
273.08652	1.3
273.12320	1.0
274.11917	1.3
275.10229	1.2
281.05945	0.9
281.09134	18.8
283.10690	4.0
285.08618	7.1
289.08633	1.4
289.11765	10.3
293.09091	2.4
295.06931	1.6
299.06760	2.0
299.10202	35.4
300.10437	1.7
301.11804	2.3
309.08649	28.6
310.08762	0.9
311.10211	4.6
313.08066	1.2
317.11304	4.6
327.09692	55.2
328.09976	2.0
329.11215	7.5
331.09238	1.4
337.08102	2.0
345.10751	100.0
346.11066	4.3
355.09164	7.4
369.10300	1.2
373.10251	64.1
374.10486	2.5
374.15939	3.4
377.13461	1.1
387.11658	5.4
391.11105	1.0
405.12775	20.0
406.13440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89146	0.9
51.79602	0.9
55.01864	3.6
57.54189	1.0
61.97446	0.9
63.06204	0.8
69.73650	5.9
84.60423	0.9
92.70192	0.9
96.46097	0.9
104.70982	0.9
108.08083	1.0
124.08333	0.9
127.46822	1.0
147.04427	0.9
167.07080	3.3
183.09206	3.0
184.07632	1.8
185.10713	1.1
189.10223	2.4
195.02821	1.4
197.07028	13.3
197.10609	1.2
198.07555	1.2
198.09233	2.0
199.08658	3.0
202.08656	1.3
210.07820	1.7
211.08661	16.7
212.09335	2.0
213.10173	2.5
222.07739	1.1
225.06577	20.4
225.10083	11.5
226.07040	2.0
226.08853	1.3
227.08109	2.4
227.11732	1.5
235.08640	1.1
237.10228	1.8
239.04439	3.9
239.08136	34.7
239.10553	2.1
240.08882	2.0
241.09692	1.7
243.07611	3.8
245.12805	26.7
246.13200	1.0
253.05969	2.1
253.09671	21.1
254.10368	2.3
255.07578	3.7
255.11198	3.3
257.05515	4.2
257.09174	9.5
259.10751	1.7
263.08014	1.4
267.07611	19.0
269.09164	1.8
271.07666	1.6
271.10721	9.7
273.08624	3.0
273.12302	1.6
281.06018	1.9
281.09164	19.9
283.10690	2.6
285.08633	6.2
286.09201	1.3
289.11780	7.3
293.09018	3.5
295.07059	1.1
297.08661	2.6
299.06757	3.0
299.10193	38.9
301.11664	1.6
309.08643	31.4
310.08969	1.3
311.10138	6.1
317.07846	1.4
317.11301	3.4
327.09714	52.6
328.10074	2.5
329.11246	9.1
337.08200	2.3
345.10748	83.9
346.11053	2.8
355.09189	8.1
373.10248	100.0
374.10440	5.9
387.11761	3.8
405.12817	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	405.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96518	0.7
53.03928	0.7
53.04312	0.8
55.01861	3.5
65.03925	1.0
67.05483	1.6
69.03418	2.1
69.12233	0.8
69.53613	2.9
69.54047	3.9
70.06571	2.2
72.08121	1.3
78.04694	2.0
79.05467	3.3
81.03393	1.2
81.07040	1.6
85.02888	1.9
86.09665	1.3
91.05462	3.1
91.38098	0.9
93.07037	1.8
94.96113	0.8
95.04946	2.2
97.06490	1.0
103.05452	5.2
105.07017	6.2
106.04174	1.2
106.72543	0.8
107.04941	6.1
108.08082	1.9
109.02828	1.4
109.10139	2.6
115.05402	1.4
117.54542	0.8
121.06532	4.4
122.06824	2.3
123.04414	7.5
124.05186	1.9
125.05973	0.9
127.03851	0.8
129.06953	1.0
131.04919	4.4
131.08516	1.0
133.06464	6.0
135.08040	1.9
137.05943	3.5
139.03885	1.0
145.06456	1.6
147.04362	1.8
149.05885	1.4
151.03918	1.7
151.07498	2.6
152.04636	1.9
152.07062	1.1
157.10042	0.9
159.08055	0.9
161.05959	7.3
163.03868	1.2
163.07521	10.7
167.07016	72.9
175.07404	1.6
177.09090	1.6
178.04997	2.2
179.07094	1.7
181.08589	3.6
183.09125	1.6
184.07568	1.0
187.07520	2.0
188.03436	4.6
189.10220	2.6
191.07129	1.0
193.08607	13.1
196.06090	2.9
197.07077	13.2
197.10779	1.2
198.07652	1.0
198.09248	1.9
199.08636	2.4
204.02855	1.2
205.08493	1.4
206.04448	1.5
207.09070	1.0
209.07179	1.1
210.07808	1.1
211.08650	14.8
212.09157	1.7
213.10161	3.5
217.08582	1.0
219.10117	2.2
222.07790	1.0
225.06587	18.1
225.10112	10.8
226.07063	1.5
226.08868	1.2
226.10638	1.2
227.08139	3.0
227.11731	3.1
228.10344	1.5
229.09717	1.5
233.11755	0.9
235.08685	1.5
237.10243	0.8
238.07120	0.9
239.04430	2.5
239.08109	30.4
240.08836	3.0
241.09703	2.4
243.07607	3.8
243.10042	1.5
245.12816	23.5
253.06001	1.9
253.09700	20.6
254.10309	1.9
255.07535	2.5
255.11273	4.8
257.05630	3.8
257.09167	11.0
259.07275	1.2
259.10767	1.2
263.08057	1.4
265.09720	1.0
267.07584	17.9
269.09094	2.1
271.07394	1.3
271.10730	13.1
273.08588	1.9
273.12262	1.7
277.08231	1.0
281.05978	1.6
281.09174	18.7
282.09497	1.2
283.10739	3.0
285.08673	7.7
286.09393	1.1
289.11771	6.2
293.09161	2.8
295.07043	1.3
297.08621	2.6
299.06741	3.2
299.10187	32.8
299.13666	1.6
300.10593	1.6
301.11722	3.6
303.09628	1.1
309.08636	28.6
311.10162	6.6
313.08374	1.5
313.11526	1.4
314.09808	0.9
317.07831	0.9
317.11267	2.6
323.12680	2.4
327.09689	58.0
328.10080	2.0
329.11285	9.1
331.09088	1.7
337.08167	3.0
345.10754	84.4
346.11124	3.5
355.09253	8.9
355.15387	2.5
373.10236	100.0
374.10669	5.0
377.13214	0.8
387.11462	6.6
405.12674	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	405.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42089	1.2
55.01860	3.7
59.23212	1.0
62.14939	0.9
67.05482	1.8
69.03423	1.6
69.94719	4.7
69.95143	2.0
76.80385	1.0
79.05491	1.6
81.03423	1.1
81.07019	2.3
82.07355	1.2
85.02884	1.6
91.05441	1.7
93.07037	1.7
95.04962	1.3
95.08598	1.1
97.02896	1.7
105.07017	2.5
107.04933	1.7
107.13301	1.1
108.08092	2.7
109.10119	2.6
123.04433	2.1
137.09596	1.3
139.03883	21.0
145.06410	1.2
151.03911	9.1
161.05894	1.4
161.09557	1.1
162.10020	1.4
163.03859	5.4
165.09044	2.5
166.09410	3.1
167.07051	8.0
170.74765	1.0
174.09198	1.6
177.05417	3.0
181.04947	2.8
182.08395	1.2
184.07616	2.5
184.10423	1.1
189.05484	4.5
189.10216	2.7
193.08617	7.5
197.07124	9.5
197.10680	1.7
198.07756	2.4
199.08603	2.3
202.08565	1.9
210.07828	2.1
211.04982	1.3
211.08611	13.9
212.09322	2.9
213.10210	4.5
219.10164	2.8
225.06590	13.1
225.10094	9.6
226.08847	2.1
226.11197	2.0
227.08195	2.6
227.11754	3.0
229.09792	1.7
237.11122	1.6
238.07220	1.4
239.04352	2.9
239.08131	27.7
240.08766	2.5
241.09616	2.3
243.07709	2.6
245.12825	37.2
246.13115	1.6
253.05984	1.8
253.09715	21.6
254.10236	1.9
255.07571	4.1
255.11264	4.6
257.05585	3.3
257.09164	12.0
259.10791	2.4
265.09631	1.8
266.96976	1.0
267.07651	16.4
271.07727	1.8
271.10721	12.2
272.11029	1.3
273.08517	1.5
273.12280	1.3
281.09128	18.6
283.10651	3.5
285.08679	5.7
286.09302	1.8
289.11826	9.2
293.08951	1.4
297.08691	1.5
299.06793	1.9
299.10214	40.4
300.10526	1.9
301.11804	3.1
303.09772	1.2
309.08664	32.6
310.09042	1.3
311.10229	2.6
317.11258	4.5
319.07675	1.2
327.09683	62.9
328.10098	2.7
329.11273	7.1
337.08316	2.8
341.11307	1.7
343.11765	1.5
345.10760	100.0
346.11066	4.9
355.09119	8.5
373.10214	72.4
374.10468	3.5
377.13275	1.3
378.27155	1.2
387.11807	4.3
405.12772	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3721
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03919	1.2
55.01852	2.1
55.05486	3.2
57.07064	8.9
67.05495	16.2
69.07051	2.2
71.08624	7.4
71.40811	2.4
79.05488	1.5
81.07047	2.0
83.04950	1.3
83.08594	1.1
83.79560	1.1
85.06511	1.1
85.10175	4.4
86.05228	1.2
89.68700	1.1
91.05474	6.4
93.07027	45.3
95.04939	2.5
95.07999	2.1
95.08588	26.6
97.06487	2.4
107.08559	4.4
109.10157	2.4
111.08055	23.9
121.06490	2.6
121.10102	3.2
122.44637	1.3
125.09632	2.9
127.07522	1.9
133.66713	1.0
139.07524	17.8
151.10080	1.5
153.09076	12.1
157.08624	3.4
167.10645	8.6
181.12160	6.4
195.13780	4.7
209.15352	4.6
222.58049	1.5
223.16954	3.0
265.21564	1.3
265.34802	1.3
279.23145	2.2
405.37228	100.0
406.37576	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	406.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.3
55.90518	0.9
56.96557	1.0
57.07053	3.1
67.05486	2.4
69.07033	1.4
70.23613	4.6
79.05483	2.3
81.07034	3.8
83.04965	3.3
85.06528	1.4
93.07021	5.1
95.08610	4.4
97.06464	1.0
105.07018	1.9
107.08585	7.0
109.06496	1.6
109.10118	1.5
111.04425	39.4
111.08025	1.6
119.08562	1.0
121.06492	1.3
121.10082	1.2
123.07998	1.2
125.05968	10.8
127.03973	0.9
133.10136	1.1
135.08049	5.8
135.11687	6.3
139.07510	1.5
145.10100	7.5
153.12738	2.0
163.11156	8.8
181.12207	100.0
182.12575	3.1
301.92514	1.0
406.29572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.8
55.05496	2.1
56.05027	5.4
57.03431	4.6
58.99577	9.8
61.01137	1.2
67.05492	0.7
68.05015	1.8
69.07047	1.3
70.08263	1.7
70.08659	1.5
73.01129	2.0
74.00650	1.3
76.02219	20.6
76.03979	1.9
78.47925	0.6
79.05474	3.3
80.05020	1.0
81.07042	17.2
82.06561	0.7
83.06068	1.7
84.04493	23.9
84.08158	0.7
85.01122	3.1
85.02906	1.1
85.04818	0.6
86.00639	4.3
86.99042	5.8
87.02678	5.5
88.02199	2.3
94.06554	0.9
95.08599	3.8
96.08089	0.8
97.01077	1.1
97.06516	2.0
98.09679	12.8
98.21329	1.2
99.05598	0.8
99.08076	5.4
99.48047	0.7
102.05527	5.3
105.07008	1.5
110.09618	2.3
111.02659	0.8
112.03943	3.5
113.04227	6.2
114.03746	1.4
115.05786	2.1
116.01665	23.5
116.34636	0.6
121.18507	0.7
122.09639	1.1
123.07981	0.9
127.05741	0.9
129.06563	3.8
130.04980	8.8
130.06859	3.6
130.08594	2.5
139.05722	2.3
142.03217	1.7
143.02719	1.2
144.01129	9.5
145.05972	1.5
156.08395	20.3
156.10178	12.6
157.06818	8.4
157.08702	0.7
162.02179	22.1
167.07022	8.4
170.02690	0.9
174.08015	0.7
174.09485	13.3
179.04825	9.3
188.03821	0.9
189.03279	1.9
209.08093	2.4
210.11235	2.1
215.04720	0.9
216.06844	6.0
227.09091	2.5
233.05930	1.7
242.08507	1.0
259.11084	100.0
260.11670	3.2
277.11893	1.1
285.12469	1.5
313.12057	4.4
331.13223	6.8
343.13196	0.7
388.15314	1.8
406.16528	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	406.1853
Annotation	Clivoline
Peak:m/z	Relative Intensity
51.39122	2.6
69.03406	5.1
70.06561	5.0
71.68527	3.2
71.68931	3.4
76.02218	5.3
79.05493	3.0
81.46934	2.8
84.04491	6.1
84.08149	3.6
84.54632	2.5
85.02898	3.0
86.09697	10.7
91.05495	3.5
95.04953	6.9
99.04449	5.1
105.07039	2.6
106.02858	8.5
107.08509	3.1
109.10120	2.7
118.06532	7.3
121.02860	17.1
124.03949	13.2
139.03888	3.7
145.10132	2.8
159.07986	5.4
161.09596	3.8
167.08501	4.8
181.10199	2.8
185.09576	2.8
199.11212	2.7
205.08694	3.3
209.15288	5.1
231.10242	6.8
244.09657	11.8
253.12251	6.1
259.11194	3.1
271.13269	7.6
300.10876	3.3
317.13773	21.9
335.14737	16.8
338.50262	3.5
357.10855	3.8
363.14276	27.7
371.12915	2.8
389.13235	4.5
406.13199	5.3
406.18549	100.0
407.18958	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	406.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.4
55.05503	0.8
61.92753	0.8
65.03923	1.5
67.05488	2.8
69.03414	1.9
70.65839	0.8
70.74949	2.4
73.02922	0.6
79.05478	2.7
81.03407	7.0
81.07043	2.2
83.04992	0.7
91.05464	8.6
93.03402	3.1
93.07023	2.8
95.04961	4.5
97.06967	0.8
98.23369	0.8
102.32108	0.7
105.07011	29.4
105.23086	0.8
107.04921	1.8
107.08598	1.3
115.05421	1.1
117.07001	8.4
118.00983	0.7
119.08573	1.5
121.02840	28.2
121.06487	2.3
128.06198	3.1
129.07033	4.8
131.04900	1.8
131.08540	3.3
133.06474	1.2
133.10135	1.1
139.34782	0.8
139.60382	0.8
141.06981	2.7
142.07796	1.0
143.08536	53.3
144.08833	0.9
145.06468	3.9
145.10098	60.6
146.10403	2.0
147.04465	1.2
147.08037	2.4
147.11662	10.8
150.10251	0.8
153.10124	0.8
154.07735	1.1
155.08510	3.9
157.10168	1.8
159.08051	0.9
161.05951	5.7
161.09604	2.6
165.06989	1.6
167.08565	3.2
169.06343	1.0
169.10080	9.8
171.08038	2.8
171.11671	1.8
173.05925	1.9
178.07761	1.5
179.08525	2.9
181.06497	1.9
181.10078	5.0
183.08038	1.8
183.11668	0.9
189.09087	12.8
190.16719	0.9
191.08620	0.8
191.10683	3.5
193.10152	3.3
194.10956	2.1
195.07970	2.5
195.11707	1.6
197.09592	3.0
199.11171	1.0
204.09370	2.2
209.09653	2.4
209.13269	4.1
211.11140	3.8
215.10648	2.9
217.08470	1.3
219.11633	7.7
220.08928	0.9
221.09587	2.7
221.13176	0.8
222.10333	2.6
223.11115	2.9
229.09949	0.9
235.09621	3.6
237.12694	30.5
237.15060	1.7
238.13235	1.3
239.14360	1.9
247.11200	2.9
249.12767	0.9
255.13835	1.0
265.12180	16.1
266.12469	1.3
267.13913	0.9
283.13242	32.9
284.13577	2.3
293.11658	2.2
311.12704	30.2
312.13049	1.8
329.13773	100.0
330.13995	5.4
346.16409	2.4
347.14832	20.3
401.13132	0.7
406.18616	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	406.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.8
63.06347	7.7
69.48804	71.2
70.06577	12.3
74.71355	7.2
76.21117	6.4
79.05457	11.8
79.60104	7.2
81.07037	13.8
82.20769	7.7
84.08137	8.3
86.09709	10.0
90.21522	6.8
91.05466	10.0
93.07007	6.6
95.04935	8.2
95.08601	11.5
105.06979	9.3
106.73682	7.6
107.01028	10.5
107.08585	23.7
107.96495	6.9
108.20137	6.7
116.01662	9.3
119.08539	8.6
120.08104	8.8
121.10075	14.3
123.61176	6.7
131.08490	12.6
137.05957	12.4
149.09608	9.3
153.05493	7.8
163.14793	23.8
167.06979	20.0
168.07722	20.6
172.28354	6.6
173.13235	9.5
191.14320	15.1
198.07509	11.7
209.15356	43.6
211.08568	6.5
212.08902	9.8
215.25783	7.8
226.07056	11.8
226.10519	8.5
231.10062	8.6
239.08153	14.6
240.08385	21.9
245.12711	14.8
246.13174	20.1
254.10020	20.4
258.06143	8.2
258.09366	7.9
259.10907	8.2
268.07883	15.0
272.11182	13.5
282.09451	30.2
286.08957	10.5
290.11835	8.8
299.10330	8.6
300.10501	31.1
301.11246	7.4
310.08917	33.5
311.09238	9.7
312.10504	6.5
317.13797	15.1
328.10025	53.3
346.11035	73.4
356.09286	19.8
357.85248	7.1
363.14349	10.6
374.10562	100.0
375.11267	8.4
406.13138	17.2
406.18362	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91842	2.5
65.50210	2.5
69.88702	17.1
70.06582	5.7
78.49249	2.6
81.03410	2.5
81.07044	4.4
92.76661	2.6
93.07053	3.5
98.20633	2.6
109.10151	2.8
116.14381	2.7
121.61592	2.6
123.04510	2.7
131.08565	4.4
137.92018	2.8
139.68709	3.0
159.08075	11.5
160.60934	2.7
167.07034	3.8
202.27515	3.4
217.91010	3.0
259.11053	3.5
298.39063	2.6
315.12158	7.3
333.13303	17.5
343.12024	3.7
353.10681	2.9
371.11319	3.8
389.12225	4.8
406.18512	100.0
422.07809	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1854
Annotation	N1-hydroxy-roquefortine C
Peak:m/z	Relative Intensity
53.91842	2.5
65.50210	2.5
69.88702	17.1
70.06582	5.7
78.49249	2.6
81.03410	2.5
81.07044	4.4
92.76661	2.6
93.07053	3.5
98.20633	2.6
109.10151	2.8
116.14381	2.7
121.61592	2.6
123.04510	2.7
131.08565	4.4
137.92018	2.8
139.68709	3.0
159.08075	11.5
160.60934	2.7
167.07034	3.8
202.27515	3.4
217.91010	3.0
259.11053	3.5
298.39063	2.6
315.12158	7.3
333.13303	17.5
343.12024	3.7
353.10681	2.9
371.11319	3.8
389.12225	4.8
406.18512	100.0
422.07809	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01854	5.7
55.05509	3.0
56.05019	5.8
57.03409	6.0
58.99575	14.3
67.05498	5.2
68.05035	2.2
69.03436	2.8
69.07061	2.2
70.06573	3.3
70.75408	2.4
70.75770	4.7
71.04990	3.4
73.01138	3.1
74.97779	1.5
76.02218	26.8
76.03993	2.2
79.05470	5.6
81.07047	22.8
83.06052	2.2
84.04490	31.0
84.08130	1.9
85.01101	3.3
85.02885	6.8
85.06529	21.8
85.07636	2.9
86.00642	4.4
86.99037	6.8
87.02683	8.8
88.02213	2.2
90.33752	1.6
90.54874	1.6
91.05443	2.0
93.07011	5.1
95.04951	2.2
95.08588	3.7
97.02868	2.1
97.06486	2.4
98.09674	11.2
99.08081	6.4
102.05521	5.9
105.06994	4.4
107.04956	2.6
107.08569	5.6
110.09636	2.2
112.03957	4.4
113.04221	5.5
115.05780	1.9
116.01675	26.4
119.08551	2.8
121.06470	3.0
121.10091	3.4
123.04404	5.9
129.06578	2.2
130.04999	9.3
130.06839	5.1
131.08553	13.2
139.03883	3.9
139.05760	2.2
144.01129	11.1
145.04997	2.0
145.06070	2.5
145.10075	5.6
149.09608	12.1
156.08397	17.9
156.10219	8.8
157.06802	11.2
162.02174	26.5
163.11169	5.1
164.07065	2.0
167.10649	7.4
174.09476	15.9
179.04800	9.3
189.03262	1.8
191.10658	15.0
192.11139	2.1
209.11717	24.0
210.11333	2.4
210.97420	1.8
216.06892	7.4
227.12766	32.9
233.05904	1.9
245.04353	2.2
259.11105	100.0
260.11465	5.4
263.12216	1.9
283.60526	1.7
313.12119	5.0
331.13135	3.7
389.13480	3.1
406.17081	7.1
407.14334	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01861	8.6
55.05487	4.9
67.05494	9.3
69.03416	8.2
69.07044	4.6
70.06583	20.0
70.70156	13.9
72.08144	5.0
76.02204	6.6
79.05463	8.7
81.03389	8.4
81.07030	13.9
84.04491	10.1
84.08131	7.1
85.02875	17.6
85.07648	5.3
86.09692	8.2
91.05471	8.9
91.79018	4.2
93.07009	13.4
95.04956	9.0
95.08597	7.2
97.02850	5.4
97.06517	100.0
98.97499	4.3
100.24017	4.9
105.03373	12.0
105.07034	8.8
107.04920	9.9
107.08571	21.4
109.02840	5.6
109.06493	6.8
109.10136	9.9
110.07117	4.7
119.08569	4.2
120.08054	4.9
121.10152	12.8
122.06042	5.0
123.04373	4.4
124.03945	4.7
124.07597	5.6
126.05466	5.0
129.10237	4.1
129.13174	4.0
131.08458	5.2
133.10065	7.7
136.07565	4.7
137.05980	5.5
138.05463	9.5
140.07039	6.0
145.10120	6.6
147.04396	4.9
147.07988	4.1
147.11682	5.8
149.09648	4.2
149.13228	10.6
151.11092	4.5
152.07072	19.4
153.07343	8.1
163.14809	5.3
165.09044	5.3
167.07059	5.3
169.10223	5.3
169.12157	8.7
173.13278	13.0
178.04985	9.6
182.08028	5.6
188.03351	10.2
191.14218	8.6
199.08582	7.2
209.15303	9.6
223.08646	7.6
225.10191	5.4
226.06767	5.0
227.08115	19.4
227.16373	47.4
230.08136	4.7
237.10204	10.8
239.08214	6.6
239.11655	5.1
240.08470	4.5
241.09698	12.4
244.09729	25.1
244.11871	4.6
245.04398	11.3
245.09265	5.9
245.12598	4.3
246.13091	8.7
249.09535	6.4
251.08119	11.8
254.10100	7.3
255.07579	9.2
255.11302	8.0
257.04382	5.4
259.11127	21.4
265.09805	18.9
266.07944	4.3
268.07724	4.1
269.09189	37.2
271.10779	4.3
273.08698	13.0
279.07562	16.3
281.09146	5.8
282.09299	8.4
283.10519	13.2
293.09171	24.4
295.10562	7.1
297.08658	43.9
300.10379	8.7
303.05151	4.4
310.08948	10.1
311.10065	20.3
313.11826	7.4
315.09781	26.5
317.97501	4.2
321.08630	8.4
325.11777	6.3
328.10034	18.9
329.11157	8.4
331.12527	4.3
333.10788	17.4
339.09744	34.8
343.12817	9.7
346.10968	31.3
357.10794	25.7
358.09042	4.4
359.11206	6.6
371.12241	17.7
372.14340	11.7
373.10153	5.2
374.10522	24.8
375.11530	16.5
379.07742	4.4
389.13327	99.0
390.11429	6.3
406.13306	9.0
406.18011	9.0
407.07816	12.0
407.14001	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	407.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
55.05494	2.9
58.22372	1.6
67.05476	2.4
69.03406	2.8
70.06567	6.9
71.04981	2.0
71.69253	3.2
72.08120	2.9
81.07024	4.8
82.07314	1.7
83.04942	2.2
84.04482	2.5
84.08119	2.5
85.02876	2.9
85.07631	2.1
86.09675	5.3
91.05459	3.1
92.04987	1.8
93.07020	1.9
94.06569	1.7
95.04940	2.4
95.08571	3.9
97.06507	4.8
105.03376	3.3
105.07011	2.9
107.08567	3.6
108.04445	3.4
109.10132	2.5
117.59338	1.9
119.08537	2.7
120.04444	3.5
121.10085	1.7
122.05993	3.0
123.04396	3.8
132.86699	2.1
133.10051	2.0
134.06006	2.0
138.05467	7.5
145.02803	2.3
145.09950	1.8
147.04453	1.8
152.07004	4.2
165.08952	2.7
167.07092	3.3
168.06546	2.0
173.13132	2.1
178.04924	8.3
185.07039	2.7
187.08598	2.0
188.03386	9.6
192.77904	1.9
196.06015	6.0
196.07574	2.1
198.09250	2.2
199.08586	6.1
206.04417	5.6
211.08638	2.6
213.10175	7.4
215.08218	3.2
223.08676	9.5
224.07104	2.6
225.10275	4.4
227.08099	19.0
227.11679	2.2
229.09613	2.8
237.10219	17.5
238.10765	2.6
239.08090	4.3
239.11769	4.5
241.09625	17.6
243.07938	2.0
243.11148	2.0
245.04408	5.8
245.09280	3.2
251.08121	10.0
253.09761	3.6
255.07619	12.7
255.11166	5.6
265.09686	29.1
266.07968	3.8
266.10477	2.4
267.11249	7.8
268.09497	2.2
269.09149	43.0
270.09760	3.7
271.10748	3.1
273.08621	14.1
279.07663	20.3
280.08044	3.2
281.09033	2.9
283.10703	16.1
284.09116	7.8
285.12051	4.2
286.10699	2.4
287.10117	4.1
293.09146	37.9
295.10693	6.5
297.08652	60.0
298.09106	2.7
301.08151	3.1
302.10187	2.5
311.10236	26.2
313.08594	2.0
313.11835	8.0
314.09915	2.8
315.09671	30.3
316.10101	3.8
321.08679	15.3
325.11749	11.2
329.11234	18.9
331.12589	2.8
333.10791	19.8
339.09686	48.6
343.12860	13.1
347.11917	7.0
357.10715	29.5
363.10385	2.7
371.12320	20.2
375.11694	15.8
389.13327	100.0
390.13153	6.0
407.07947	7.1
407.13962	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	407.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
57.03422	5.1
57.07064	6.7
59.05914	0.5
60.62628	0.5
60.98578	0.5
67.05481	2.5
68.83834	0.4
69.07051	1.6
71.01757	0.5
71.08619	4.5
71.61678	0.5
71.62008	0.6
81.07053	2.9
83.08611	2.2
85.10162	2.4
93.06996	0.7
95.08596	4.2
97.10169	1.0
105.07036	0.5
109.10133	2.6
112.99997	95.4
131.01031	0.6
134.30804	0.4
154.02621	1.0
169.02589	100.0
239.23665	0.8
330.41397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49125	0.2
53.03938	0.3
57.03418	0.5
61.02904	0.4
67.05482	0.2
69.03419	2.0
69.07054	0.2
70.06585	0.2
70.95808	0.4
73.02882	0.3
79.64925	0.2
81.03386	0.5
85.02892	3.4
86.32814	0.2
87.04435	0.3
91.05456	0.4
95.08600	0.2
97.02862	0.8
99.04451	0.2
105.07051	0.2
109.02853	0.4
123.04389	1.0
124.07537	0.6
127.03899	0.8
131.08513	0.2
136.03882	0.3
136.07590	0.4
138.09052	0.2
144.08014	0.2
145.04901	0.2
145.06448	0.4
145.10049	0.5
155.08524	0.6
158.07242	0.2
161.06065	0.2
162.09015	0.3
172.07565	0.4
172.11151	0.8
173.09552	0.5
174.09131	0.3
176.07127	0.2
176.10686	0.3
182.05995	0.4
182.09605	0.3
183.08038	0.4
184.07555	0.2
185.08310	0.5
188.06953	0.3
189.07793	1.3
190.08684	0.4
190.12270	0.4
199.06248	0.3
200.07039	0.8
200.10678	1.5
201.09077	0.5
203.09502	0.2
212.06987	0.3
213.07834	0.6
216.06635	0.5
217.07310	0.5
218.08064	1.7
218.11694	0.5
228.10141	1.0
229.08592	0.3
230.08110	0.4
231.08914	1.6
244.09724	0.6
245.10426	1.0
246.11220	100.0
247.11549	3.8
256.09946	0.2
257.04410	1.0
270.11157	0.3
283.02753	0.2
288.12332	1.0
348.44788	0.2
387.92380	0.2
390.15448	0.2
408.16406	4.3
409.09030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	42.7
59.84279	4.4
70.44425	7.2
70.44788	15.0
85.02882	6.9
98.21372	5.9
98.97559	39.5
101.00865	13.9
104.80905	4.3
112.99114	52.2
113.00843	5.0
116.98626	32.2
119.01891	35.8
123.04404	29.6
128.98592	5.6
131.00160	100.0
131.01775	19.7
133.03444	19.4
134.99660	12.5
137.02872	5.7
142.96431	6.4
143.01880	38.2
145.03416	13.0
146.99586	9.1
147.01277	6.4
149.01210	72.1
149.02989	6.3
151.03801	4.8
155.01849	18.0
157.03345	5.3
159.03265	8.3
161.01489	8.1
161.02925	47.4
163.03903	18.5
165.00558	5.7
167.02209	6.9
168.99855	4.3
171.01352	9.9
173.02911	34.9
175.02710	12.2
175.04140	6.2
177.00670	9.0
177.02278	7.0
177.04268	7.7
185.02913	6.1
187.00856	9.0
187.04396	4.6
188.96971	5.1
189.00732	7.5
189.02380	14.4
189.05481	5.8
191.02339	6.5
191.03996	9.4
193.00189	8.3
193.03833	15.0
197.06674	8.2
199.00870	7.1
201.02443	5.8
203.03557	7.8
205.03885	4.4
206.98065	9.2
211.04814	20.0
215.00174	7.3
217.01901	18.9
221.03130	9.9
223.04889	5.1
229.01833	7.3
231.03468	20.5
235.04848	53.9
237.02733	8.1
239.04221	5.2
245.04453	14.3
247.02931	5.5
249.04546	5.5
251.04552	6.0
253.05905	31.7
257.04453	29.9
259.02982	9.7
259.05911	5.6
273.00211	4.7
279.07419	8.1
281.01495	4.9
287.05432	21.8
289.03909	29.2
291.01495	6.1
295.12381	5.9
297.08398	7.1
301.03979	17.1
305.09097	6.6
307.05115	43.0
319.04919	12.4
323.09943	14.8
328.58926	4.5
330.06650	6.1
365.11142	12.5
391.00247	5.4
409.04355	5.3
409.09479	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0909
Annotation	8-p-Hydroxybenzylquercetin
Peak:m/z	Relative Intensity
55.01841	1.9
65.03913	1.0
67.05463	1.2
68.99772	3.4
69.03381	0.5
70.06544	1.2
71.68555	0.7
72.08109	0.5
76.03136	0.5
77.03901	0.8
78.31232	0.4
79.05483	0.5
81.03374	0.8
83.01330	0.7
83.04953	0.5
84.08122	0.6
85.02868	0.5
91.05466	4.5
93.07022	0.4
95.04944	2.2
97.02798	0.5
103.05415	0.9
105.03333	1.5
105.06979	1.0
107.04912	1.6
109.02824	0.6
111.00761	1.4
111.04405	1.4
115.05409	2.4
116.31202	0.4
117.06967	0.9
119.04922	10.3
120.08126	1.0
121.02797	1.2
123.04404	45.2
124.04728	0.6
128.06154	0.9
131.04887	1.9
133.06407	1.3
135.04346	1.7
137.02234	0.7
137.06000	0.4
139.03864	4.0
139.05409	0.4
141.01797	0.5
143.04922	3.3
145.02863	0.6
145.06438	1.6
147.04379	27.6
148.04733	0.6
149.02284	1.7
149.05940	1.6
151.03879	6.6
153.05461	0.7
153.06880	0.8
155.04855	1.0
157.06451	0.9
159.04364	1.8
161.02382	0.4
161.05952	13.1
163.03880	14.4
165.05463	5.2
171.04399	2.0
173.05946	2.2
175.03838	6.9
176.04713	0.4
177.05428	6.1
179.03378	0.5
179.33717	0.4
181.06415	0.5
183.04393	1.7
185.05943	1.8
187.03792	3.8
187.07442	0.4
189.05423	20.7
191.03329	1.6
193.04938	9.2
195.04420	0.6
197.05968	1.5
199.03839	1.0
201.05429	5.8
202.06218	0.7
203.03348	35.7
203.06567	0.8
204.03745	0.5
205.04909	0.6
206.08005	0.5
207.06454	1.2
211.03957	0.7
213.05426	5.1
215.03348	4.2
216.95883	0.7
217.04904	3.4
219.06360	0.5
221.04359	3.6
224.98526	0.5
225.05510	0.9
229.01399	0.5
229.04907	12.6
230.05663	3.6
231.06442	1.8
233.04485	1.1
234.96805	4.8
237.05374	0.7
241.04890	4.3
242.05644	0.5
243.06421	1.0
244.03519	0.6
245.04408	36.3
246.04672	1.0
247.05971	3.9
248.94659	1.0
251.06943	0.7
252.97888	10.6
253.05006	0.9
253.98296	1.1
255.06444	1.5
257.04401	93.7
258.05093	10.0
259.05963	9.6
266.95865	0.8
269.04471	2.8
271.05945	9.5
276.97665	1.0
279.06619	0.7
283.05966	7.2
285.03879	1.0
287.05444	49.6
288.05835	1.9
297.07480	2.2
299.05460	7.2
302.99432	1.7
307.05917	0.6
312.97910	0.6
323.09064	0.9
325.06943	0.9
326.99625	0.8
330.98987	2.0
345.00726	0.6
349.07184	0.5
363.01355	1.0
363.08585	1.0
367.07907	1.1
379.08368	0.5
391.01089	1.0
391.08060	5.5
409.09094	100.0
410.09412	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	409.0909
Annotation	Tetracenomycin E
Peak:m/z	Relative Intensity
53.03922	0.6
55.01847	1.5
65.03916	0.9
67.05471	0.9
68.99780	3.2
69.03419	1.1
70.06551	0.7
77.03905	0.7
79.01811	0.6
79.05460	1.1
81.03410	0.5
83.04977	0.5
85.02853	0.7
91.05475	4.9
95.01299	0.8
95.04935	1.6
97.02870	0.6
103.05440	0.6
105.03354	1.1
105.06977	0.7
107.04915	2.2
111.00735	0.9
111.04404	0.9
115.05436	2.0
117.06955	1.0
119.04929	10.2
121.02872	1.5
123.04414	34.8
129.06953	1.3
131.04887	1.9
133.06429	1.7
135.04424	3.0
136.07483	0.6
137.02338	0.8
139.03873	5.0
141.01834	0.6
141.06868	0.7
143.04906	4.2
145.06462	1.6
147.04385	33.0
148.04672	0.6
149.02325	0.7
149.05925	1.1
151.03856	2.1
153.05391	1.2
155.04837	1.2
157.06447	2.0
159.04375	2.2
161.05963	15.6
163.03882	38.9
164.04185	0.9
165.05458	7.4
167.04942	0.9
169.06400	0.8
171.04335	1.6
173.06000	3.0
175.03870	5.9
177.05444	6.0
179.03276	0.6
183.04407	2.5
185.05969	2.9
187.03792	3.6
189.05444	25.2
191.03372	1.6
193.04982	4.3
197.06024	1.3
199.03864	1.1
201.05382	4.3
202.06236	0.6
203.03362	38.0
204.03722	0.9
207.06487	1.3
211.03889	1.1
213.05421	5.1
215.03372	2.0
217.04926	2.5
221.04405	4.2
225.05341	0.7
229.04903	8.8
230.05725	2.1
231.06497	1.7
233.04417	1.5
234.96867	2.3
241.04895	4.0
243.06490	1.1
245.04428	33.0
246.04828	1.1
247.05962	12.8
252.97961	4.6
255.06531	1.0
257.04416	100.0
258.05042	8.7
259.05988	17.2
269.04379	3.2
271.05896	6.4
276.97705	0.8
282.05215	0.9
283.05923	5.3
285.04010	0.7
287.05460	26.3
288.05801	0.9
299.05463	5.3
330.99176	0.8
363.08603	1.3
372.99622	0.7
391.07959	7.0
409.09119	82.5
410.09494	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	409.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	4.7
58.63794	1.4
67.05465	1.9
68.99768	3.2
69.03387	2.8
70.06561	3.5
71.04986	1.8
79.05466	2.7
81.07022	3.0
83.04953	2.1
84.08092	1.7
85.02854	2.3
85.06510	1.7
85.07635	2.2
91.05467	3.1
94.06506	2.8
95.04918	4.9
101.44543	1.3
105.03353	2.5
105.07017	2.2
107.04926	5.2
109.10076	1.5
110.07024	1.7
111.04418	2.2
111.08051	1.8
116.80592	1.2
119.04876	5.0
120.08072	1.5
122.05965	4.9
123.04407	16.1
127.03864	1.9
135.04352	2.9
135.07907	1.5
137.05948	1.7
139.03835	1.9
139.58173	1.3
140.06972	5.5
141.06967	1.3
143.60619	1.4
147.04393	8.0
154.04959	16.3
157.06342	1.6
157.07503	1.6
163.03828	3.6
172.07495	2.6
175.03864	2.1
178.04951	6.8
185.07039	2.0
187.05086	13.0
189.05193	1.8
190.08525	2.0
193.04857	2.4
196.07474	2.0
197.07028	3.8
199.08569	3.4
200.06993	2.4
201.06686	7.0
202.06709	1.4
203.03239	6.0
203.04889	1.5
206.04396	7.4
211.04901	1.9
211.08597	6.8
213.10255	2.9
214.08644	1.6
214.84306	1.4
215.08110	14.3
217.09647	2.9
218.05580	1.5
218.07983	1.7
218.58495	1.4
222.03963	2.5
224.05426	1.8
225.06467	5.8
226.07188	3.3
227.08064	3.3
229.04788	4.3
229.05904	7.2
231.07368	1.6
233.08972	5.3
238.06955	2.3
239.08110	19.7
241.09586	4.7
243.07664	30.6
244.07817	2.2
245.04402	12.7
245.09077	3.0
247.10686	5.5
251.10336	1.5
253.05962	6.0
254.06650	4.3
257.04419	32.3
257.09094	13.8
258.04916	4.6
259.06900	2.4
259.10785	2.1
261.08691	15.6
267.07584	14.7
269.04294	2.1
269.09180	9.2
271.07123	17.9
273.08606	4.3
285.08673	54.0
286.08859	2.6
287.02988	1.4
287.05441	15.2
287.10071	3.3
289.05084	2.1
289.08160	38.9
290.08337	2.2
291.09695	1.4
295.06912	6.4
295.10242	1.4
297.08719	15.0
303.09677	17.2
307.09244	10.5
313.08142	74.4
314.08502	3.4
315.09735	27.9
317.07532	3.0
318.09564	1.9
331.09177	100.0
332.09424	4.4
333.10733	18.1
335.08594	2.3
341.07632	8.2
341.11130	1.8
345.10431	4.9
349.10266	96.4
350.10480	2.7
359.08658	22.1
363.08401	7.5
363.12283	1.9
367.07602	1.4
367.11337	18.7
375.14462	1.8
377.09680	34.9
377.13507	1.5
378.10025	2.7
381.09521	3.1
386.71457	1.4
391.06607	1.5
391.11603	31.4
395.10727	1.6
409.08554	22.6
409.12512	27.1
409.17978	98.2
410.09235	4.6
410.18552	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	409.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.8
67.05482	2.0
68.99766	5.0
69.03408	2.3
70.06570	2.5
72.08146	1.9
81.07045	3.8
83.04980	2.4
84.08136	1.7
85.02875	2.1
91.05464	6.4
93.06989	2.0
95.04927	4.1
95.08555	2.4
98.20654	3.9
99.04436	1.7
105.03399	2.4
105.07009	3.1
107.04923	7.8
107.08555	2.1
109.10101	2.8
119.04893	6.8
122.05996	6.8
123.04398	28.7
125.09583	1.9
131.04922	2.0
134.37123	1.8
135.04353	2.3
136.07607	2.1
139.03865	2.7
140.07014	5.0
147.04346	14.3
153.05467	1.7
154.04974	13.4
161.05899	3.5
161.07043	2.4
161.09517	2.3
163.03870	8.1
173.05864	2.4
175.03888	3.6
178.04942	7.1
179.03340	4.1
183.09085	2.1
187.05110	13.2
187.08598	2.1
190.08521	2.3
191.03400	2.4
193.04903	2.0
198.07817	2.7
199.08690	2.6
200.07082	2.9
201.05074	2.5
201.06541	5.9
202.07385	2.1
203.03316	12.9
205.09695	1.9
206.04405	5.8
211.05026	4.2
211.08632	8.7
213.05312	3.2
213.10205	4.4
215.03308	3.6
215.08209	15.8
217.04901	2.1
217.09669	3.2
222.03903	3.2
223.93016	1.7
225.06561	6.2
226.07205	4.0
229.04964	7.8
229.06024	6.1
229.09599	2.7
233.09166	6.7
239.08069	16.8
241.05168	2.3
241.09729	4.2
243.07603	36.1
244.03722	2.4
245.04349	24.6
245.09125	2.7
253.06035	6.6
254.06796	5.1
257.04407	65.3
257.09009	19.1
258.04956	10.8
259.06924	3.4
261.08609	14.1
267.07611	16.7
268.07932	2.9
269.04333	3.8
269.09171	6.2
271.07147	20.3
273.08618	4.2
285.08618	60.2
286.08914	3.3
287.05444	32.8
287.10165	2.7
289.08096	37.8
290.08145	2.2
295.07019	8.1
297.08810	14.6
299.05502	3.6
303.09628	18.5
307.09201	10.8
313.08133	77.0
314.08398	5.0
315.09659	31.7
317.07547	2.9
331.09158	100.0
332.09338	5.9
333.10684	24.0
335.08478	3.3
341.07623	5.9
345.10867	5.3
349.10223	95.4
350.10544	8.0
359.08566	20.8
363.08347	12.9
363.15869	2.1
367.11374	20.4
377.09561	32.5
377.13342	2.9
378.10147	2.7
381.09750	3.1
391.07379	6.3
391.11725	39.8
409.08984	59.1
409.12888	29.4
409.18307	23.6
410.08951	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	409.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09428	0.6
55.01853	1.1
55.05492	2.4
56.05833	1.3
56.08733	0.7
58.99562	1.2
60.99138	1.1
67.05492	0.9
67.61233	0.6
68.99775	1.9
69.62286	2.1
69.62717	3.8
70.06559	1.8
76.02230	1.1
78.01786	1.2
79.05496	1.0
81.07019	1.0
83.04974	0.7
83.08605	2.6
84.04488	3.0
84.08953	0.6
86.99035	1.0
91.05457	1.6
95.04964	1.1
102.05528	0.7
105.07050	0.8
107.04955	2.0
107.50145	0.6
111.00807	1.1
116.01651	3.8
117.01992	1.4
118.01248	1.6
119.04928	2.8
121.02868	0.8
123.04401	14.9
130.04973	0.8
139.03871	1.6
144.01137	2.1
147.04385	6.5
151.03940	0.9
156.10243	1.0
159.08408	1.6
160.08641	1.1
161.05954	1.3
162.02185	6.5
163.02504	2.3
163.03900	2.9
164.01732	0.8
165.05487	1.1
175.03862	1.9
177.05476	0.9
179.03407	0.8
187.03905	2.9
189.05463	2.7
191.03329	0.8
193.05008	2.1
197.07112	0.7
198.07854	1.4
199.08638	2.0
200.09305	1.1
201.05501	2.1
201.10036	0.8
203.03392	5.0
211.08643	4.7
211.12350	1.0
212.09386	2.2
213.05414	2.2
213.10161	2.2
215.03413	1.6
215.11749	2.1
217.04900	1.0
217.09613	1.3
221.95992	0.7
224.09258	0.7
225.10207	5.4
229.04916	8.0
229.09662	2.8
230.05676	2.1
231.06461	0.8
239.08131	8.0
239.11772	3.4
240.08789	4.0
241.04944	1.8
241.09651	6.1
242.10374	1.5
243.07756	1.5
243.11246	6.5
245.04370	11.1
252.08960	1.3
253.09677	7.3
257.04419	30.1
257.09033	2.1
257.12799	2.4
258.05032	5.4
258.09952	0.9
259.06012	2.1
259.10754	4.0
260.11316	1.0
261.10825	2.0
262.10965	4.0
263.11346	2.0
267.07587	2.8
267.11243	6.2
268.08444	6.7
269.04327	1.1
269.09009	1.3
271.06369	3.7
271.10706	30.7
272.11240	1.9
273.12378	2.6
275.10251	2.4
277.11758	3.6
279.11182	1.0
280.14041	0.8
281.09204	1.3
283.06055	3.6
285.08603	3.1
285.12332	5.7
287.05481	15.0
287.08694	0.9
287.13919	1.0
289.11758	1.7
295.10849	4.9
299.05615	1.1
300.11057	2.1
303.09723	0.8
303.13229	1.0
313.11761	7.2
317.11304	2.3
318.11908	1.2
323.10202	11.0
327.13416	1.8
334.15128	1.3
335.12372	4.7
341.11252	17.7
342.11877	0.9
345.14371	2.5
349.13843	0.9
355.12735	4.0
359.12283	2.8
363.08487	2.4
373.13864	15.3
391.08395	4.9
391.14920	24.1
392.15094	1.5
409.09204	42.3
409.15976	100.0
410.09488	3.0
410.16275	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	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.4
67.05494	1.0
69.54337	1.0
69.54757	4.1
70.06576	0.8
73.21581	0.5
83.04916	0.8
85.02921	0.5
91.05448	0.9
95.04989	0.5
107.04942	1.1
119.08594	0.7
121.02862	0.8
121.10149	0.7
122.06057	0.7
123.04427	3.9
135.04391	0.9
136.07521	0.6
139.03943	0.5
145.02829	0.5
147.04393	1.5
154.04959	1.6
159.11249	0.5
161.05922	0.8
163.03893	1.2
164.06972	0.5
173.01743	0.6
177.05429	1.9
178.04922	0.7
179.03397	0.7
184.07491	0.6
185.82556	0.5
187.04984	2.0
190.08559	1.8
200.07028	0.5
201.06764	0.7
202.06932	0.5
203.03363	1.0
206.04529	0.6
210.52013	0.5
211.08586	1.1
215.08124	2.4
218.08040	1.2
225.06506	0.9
226.07080	0.5
229.04836	0.9
230.08115	0.9
236.09222	1.3
239.08186	1.5
241.09641	0.6
243.07639	4.4
245.04453	1.5
254.06862	1.2
257.04419	6.5
257.08987	3.0
258.05115	0.8
259.06961	0.9
261.08685	2.0
267.07599	2.4
269.04416	0.7
269.09067	1.1
271.07083	3.5
273.08536	0.8
285.08679	7.5
286.09131	0.5
287.05377	2.3
289.08170	5.7
295.07071	1.0
297.08582	1.8
303.09634	2.6
307.09164	1.2
313.08170	9.6
314.08545	1.0
315.09842	3.6
331.09195	14.2
332.09470	1.4
333.10699	2.4
341.07584	1.0
349.10278	13.9
350.10699	1.0
359.08582	3.1
363.08548	1.5
367.11447	2.5
377.09729	6.8
391.06946	0.7
391.11807	4.3
409.08575	5.2
409.13058	4.7
409.18253	100.0
410.13943	2.1
410.18680	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37160	1.6
53.03936	4.9
53.74932	1.8
55.01843	2.7
55.05503	16.7
57.07058	7.0
57.81810	1.7
59.04980	4.0
65.03935	2.6
67.05492	26.1
69.03405	9.2
69.07050	8.0
71.04976	2.2
79.05477	22.6
81.03438	2.0
81.07043	37.5
83.04953	5.7
83.08627	2.2
85.06516	2.9
91.05463	36.8
93.07028	50.9
95.04954	51.2
95.08582	34.2
97.06529	11.8
98.20670	3.8
103.05453	2.7
105.04512	2.7
105.07008	100.0
107.04920	2.4
107.08567	29.2
109.06492	16.9
109.10150	18.7
111.08051	2.7
115.05439	3.3
116.06219	1.9
117.06971	15.8
119.05033	1.8
119.08560	71.6
121.06495	17.5
121.10133	22.9
122.55355	1.7
123.08035	22.2
125.09630	2.3
128.06248	4.4
129.06961	10.2
130.07770	5.2
131.08530	24.3
133.06465	4.7
133.10094	18.0
135.08040	14.6
135.11690	5.2
137.09601	8.0
141.06970	4.5
142.07779	12.2
143.08513	20.7
144.09311	5.0
145.06445	2.1
145.10103	42.7
147.08029	18.2
147.11658	36.7
149.09557	9.6
149.13237	2.5
151.07515	26.8
153.07031	2.0
155.08534	10.7
156.09332	7.5
157.10106	22.7
159.08038	7.4
159.11652	18.3
160.08830	2.7
161.09587	8.7
161.13272	4.7
163.11163	6.4
165.09090	38.7
167.08606	3.7
168.09343	7.7
169.10129	12.8
170.10884	3.4
171.11613	17.0
173.09624	7.0
173.13249	10.3
175.11151	23.9
175.14671	2.2
177.09091	6.0
181.10066	5.2
181.12265	2.5
182.10834	2.7
183.11737	12.5
185.09608	2.2
185.13237	5.1
187.11154	3.3
187.14793	2.9
189.12668	8.9
191.14240	3.1
194.10965	2.9
195.11632	4.0
196.12408	3.4
199.11192	5.2
201.12680	9.3
201.16467	3.1
203.14278	17.8
207.11792	4.0
207.13795	12.3
209.13258	5.7
209.15395	5.8
211.14833	7.7
213.10913	1.8
213.12735	2.2
215.14296	2.7
219.13728	3.2
221.15323	63.1
222.15721	3.3
223.14729	4.5
229.15894	8.2
231.13737	3.2
233.15273	5.9
234.16068	10.5
286.19415	3.2
287.20111	8.9
313.21292	2.1
329.21112	6.0
349.25906	2.2
391.26129	6.3
391.45889	1.7
409.27274	53.3
409.34982	2.3
410.27603	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	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
53.03932	3.3
55.05499	15.4
57.07070	8.7
59.04979	4.9
59.29527	1.4
67.05494	20.7
69.03405	7.7
69.07056	8.3
71.48365	1.6
79.05488	17.9
81.07042	31.2
83.04955	3.7
83.08586	2.4
85.06516	1.6
91.05462	34.9
93.07031	41.6
95.04949	45.4
95.08592	25.3
97.06518	4.8
103.05437	3.7
105.07012	100.0
106.07330	1.9
107.08568	24.9
109.06524	9.4
109.10133	9.1
111.07990	2.0
115.05460	2.0
117.07006	12.0
119.04944	2.0
119.08563	61.0
121.06457	13.8
121.10111	15.4
123.08054	15.7
128.06224	4.1
129.06953	6.5
130.07782	3.3
131.08542	18.7
133.06471	5.0
133.10106	14.6
135.08020	10.4
135.11673	4.8
137.09590	7.8
141.06972	4.0
142.07774	11.1
143.08511	10.6
145.06473	2.8
145.10103	31.0
147.08043	13.1
147.11658	43.9
149.09602	12.8
151.07509	18.1
153.07022	2.7
154.07726	1.9
155.08536	8.0
155.09888	1.3
156.09262	3.6
157.10081	15.5
159.08003	7.7
159.11649	12.1
160.08803	1.7
161.09570	9.1
161.13229	3.7
163.07524	2.1
163.11183	6.9
165.09091	29.3
167.08479	2.8
168.09326	4.1
169.10098	7.0
170.10883	2.2
171.11693	7.0
172.12463	1.7
173.09584	4.4
173.13254	6.5
175.11142	28.7
175.14729	2.8
177.09109	4.3
179.08600	2.5
181.10110	3.9
182.10855	1.9
183.11658	8.0
185.09630	2.4
185.13231	3.9
187.11137	3.9
187.14825	3.1
189.12741	5.7
195.11713	3.3
196.12427	2.8
197.13281	2.8
199.14847	1.9
201.12747	6.0
201.16469	2.3
203.14342	11.3
207.11948	2.1
207.13734	7.9
209.15248	2.7
211.14780	5.3
219.13843	4.8
221.13350	3.2
221.15323	57.5
225.16319	2.3
227.14302	2.1
229.15808	3.7
231.13771	2.4
233.15501	1.8
234.16104	17.3
257.04294	3.2
259.24634	1.9
286.19171	3.4
287.20047	5.1
300.20819	5.5
318.67444	1.7
329.21002	4.2
365.19366	1.6
391.26230	5.9
409.27222	31.2
409.33450	2.1
409.34387	1.8
410.27554	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.4
54.98113	3.1
55.01825	3.2
55.05499	20.4
57.07062	7.4
65.03918	5.9
67.05495	27.9
69.03422	6.7
69.07043	7.4
71.69823	4.7
79.05482	20.2
81.07036	34.8
83.04964	4.3
85.06497	5.8
90.70110	3.3
91.05466	42.0
93.07027	48.1
95.04955	42.6
95.08579	32.8
97.06502	7.4
97.91533	3.3
103.05437	6.4
105.06342	6.3
105.07013	100.0
106.49911	2.9
107.08593	27.3
109.06496	10.7
109.10125	11.8
111.08049	3.3
114.51091	3.0
117.06995	16.7
119.08561	72.9
121.06449	14.1
121.10099	19.3
123.08062	18.3
123.11644	3.5
129.06984	7.3
130.07742	5.2
131.08543	22.6
133.06436	3.7
133.10109	22.2
135.08017	12.3
135.11646	3.9
137.09586	10.2
141.06934	5.1
142.07744	11.3
143.08542	15.2
145.10080	34.7
146.93338	2.7
147.08011	17.4
147.11664	42.6
149.09596	11.5
149.13101	4.6
151.07532	16.0
155.08499	7.7
157.10138	21.7
158.10942	3.5
159.07999	5.3
159.11626	14.0
161.09517	8.7
161.13286	4.3
163.11211	5.0
165.09096	34.4
168.09261	3.7
168.35585	3.3
169.10077	12.4
171.11656	6.2
173.09581	7.2
173.13217	8.0
175.11156	30.2
175.14677	4.1
185.13283	4.6
187.11220	4.4
187.14838	4.7
189.12758	5.7
197.13332	3.7
199.11183	4.2
199.39488	2.6
201.12766	8.4
201.16415	3.8
203.14268	11.7
205.15886	5.2
207.11699	4.3
207.13675	8.0
208.16206	2.9
211.14725	3.6
213.12747	3.2
216.90059	2.9
219.13660	3.9
221.13245	5.3
221.15331	64.4
229.15735	5.3
234.16096	16.7
257.04382	3.4
286.19345	3.7
287.20053	6.1
300.20853	3.7
329.20779	4.7
409.27231	35.3
409.32687	3.9
409.34064	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	409.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	22.3
55.05510	46.4
57.07059	50.4
62.97561	5.9
67.05482	18.5
69.07059	100.0
69.71119	49.2
71.04983	12.2
71.08622	53.8
72.70530	5.5
79.05479	17.7
81.03419	6.8
81.07053	41.4
83.08601	56.5
85.10174	18.5
91.05448	17.7
93.07043	26.3
93.37653	5.9
95.08593	46.4
97.06552	12.5
97.10146	40.7
98.20914	19.4
98.21470	6.2
105.07012	15.1
107.08587	21.1
109.02875	6.8
109.10130	22.0
111.11710	23.2
119.08599	15.5
121.06545	7.6
121.10138	23.4
123.08025	9.7
125.02335	50.5
125.13271	8.4
127.03907	57.0
127.04778	9.1
131.08562	13.5
133.10117	11.1
135.11685	7.8
139.07527	22.4
145.10153	9.0
149.09608	19.4
149.13113	7.0
153.05420	8.8
159.11691	7.6
161.13200	9.0
163.11154	7.8
163.14787	8.4
167.07004	10.0
169.08533	30.1
173.13290	6.4
177.09096	23.3
183.10181	13.0
191.14328	7.2
192.56924	5.6
195.10153	43.6
213.84583	5.8
215.14183	6.1
233.15419	6.1
241.72234	5.6
307.22372	6.3
329.18823	6.1
345.31494	15.3
355.30045	8.7
373.31021	40.4
391.32050	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94007	2.5
53.03919	3.0
55.30775	2.7
62.35387	2.3
64.40284	2.9
67.12836	2.7
69.03408	2.3
69.50216	7.2
69.50626	17.5
79.05481	3.4
81.03402	4.9
86.78658	2.8
91.05457	4.2
93.07041	3.3
105.07028	4.0
107.04920	4.3
109.02855	9.0
109.24025	2.9
116.49427	2.5
119.04900	2.7
121.06532	3.6
123.01388	2.8
131.08569	4.4
133.10130	3.3
143.08490	6.4
145.06453	2.6
145.10078	3.9
147.04330	4.1
157.20992	2.6
159.08025	8.0
161.09541	9.3
167.08539	11.4
169.10045	5.2
181.10031	5.5
185.09612	15.0
187.11081	3.5
195.11603	5.3
203.10600	4.9
204.27040	3.7
205.10028	4.3
206.09276	3.6
223.11195	5.7
231.10091	6.4
241.12254	3.6
245.28020	3.4
249.11172	16.3
251.10606	7.3
269.11765	4.4
271.13263	4.3
279.10312	3.5
297.11118	9.5
303.15634	5.1
315.12201	13.8
333.13113	17.0
347.14774	10.6
360.14139	7.8
366.87955	3.4
375.14355	100.0
376.14832	8.5
408.70514	2.8
410.09705	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	411.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21426	0.7
51.11038	0.7
53.03939	2.3
55.01862	5.9
65.03924	1.2
67.05481	1.5
68.40966	0.9
68.99783	9.1
69.03412	1.0
70.06571	1.7
71.68681	1.7
77.17087	0.7
77.77480	0.8
79.05482	3.8
80.56934	0.8
81.03381	2.2
81.07043	1.0
83.01340	1.1
83.04961	1.4
84.79511	0.8
85.02892	1.4
86.09695	0.8
90.99459	0.8
91.05470	3.8
95.04934	3.4
97.02907	1.2
99.23883	0.8
105.04497	0.8
105.07026	1.3
107.04937	100.0
108.05265	2.4
109.02853	3.3
110.50744	0.8
111.00784	1.7
115.05473	1.5
119.04926	24.2
120.08124	1.0
121.02859	3.1
121.06470	1.2
123.04405	5.1
124.04697	1.0
127.03883	3.4
131.04884	2.5
133.06453	2.9
135.04366	3.2
137.05942	1.9
139.03889	14.6
141.01791	1.6
141.06978	1.3
145.06456	3.5
147.04376	19.5
149.02313	2.9
149.06021	2.0
151.03885	12.3
153.01752	1.1
157.06450	3.5
159.04379	1.0
159.16943	0.8
161.02335	0.8
161.05930	3.0
163.03894	11.9
164.04500	0.8
165.01865	1.0
165.05452	2.8
165.06984	2.9
167.03394	11.2
169.06442	2.5
171.04407	2.3
171.08073	1.6
173.05936	2.2
175.03877	10.3
175.11153	1.0
177.05426	7.1
179.03369	44.6
180.03790	0.9
181.04916	0.9
183.08031	2.4
185.05960	3.7
187.03891	3.5
187.07507	1.6
189.05377	4.6
191.03360	17.2
191.06999	0.9
193.04935	13.4
197.05968	4.0
199.07434	1.7
201.05403	7.5
203.03366	24.6
203.05086	1.2
205.05035	3.8
208.14992	0.8
211.07494	2.6
213.05418	6.2
215.03421	1.7
215.06996	2.4
217.05031	4.5
225.05403	2.2
229.04901	6.8
230.05185	0.9
231.06520	24.3
232.06824	1.5
233.04488	8.8
239.07007	11.6
241.04930	2.8
243.06451	7.5
245.04430	17.1
246.04709	1.3
247.06056	1.3
251.05463	3.5
253.05026	0.9
255.06374	4.4
257.04422	10.9
257.08002	7.8
258.04922	1.4
259.06146	5.4
267.06470	25.4
268.06808	1.2
271.05972	1.3
273.07477	1.2
275.05414	18.0
285.07544	44.2
286.07898	2.7
287.05463	85.8
288.05826	3.4
289.05768	0.9
290.87921	0.8
299.05365	7.5
347.13379	1.2
393.09607	8.0
411.09866	3.0
411.16013	30.1
411.20013	13.6
412.16324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01857	4.1
56.18382	0.8
65.03925	1.6
67.01852	1.0
67.05493	1.2
68.99776	9.8
69.03417	1.5
69.60868	4.9
69.61282	1.5
70.06580	1.4
79.05473	2.4
81.03414	1.2
81.07022	1.3
83.01300	1.2
83.05002	0.9
83.08584	1.0
84.08163	0.8
85.02877	1.4
91.05463	4.4
93.03402	1.0
95.04955	3.9
101.33776	0.8
107.04933	100.0
108.05285	3.0
109.02888	3.2
111.00752	2.0
111.04408	2.4
115.05382	1.0
115.69976	0.9
119.04921	27.0
121.02847	3.7
123.04386	6.3
125.02342	1.5
127.03886	4.0
131.04900	2.5
133.02798	1.2
133.06467	3.2
135.04408	4.3
137.05952	1.8
139.03876	14.0
141.01836	1.7
141.06982	1.3
145.06439	2.9
147.04373	18.5
149.02325	2.6
151.03867	13.9
153.01814	1.8
153.06970	1.3
155.08504	1.5
157.06461	2.6
159.08032	1.5
161.02325	2.8
161.05928	2.6
163.03865	15.3
163.05130	1.1
165.01816	1.0
165.05467	4.6
165.06969	2.2
167.03365	11.0
169.06427	3.0
171.04333	2.3
171.08034	2.5
175.03871	11.2
177.05455	7.4
179.03352	45.0
180.03706	1.8
181.06461	1.4
183.08014	1.7
185.06004	2.5
187.03851	4.6
189.05443	5.5
191.03355	17.3
193.04930	15.5
197.05997	3.3
199.07495	2.4
201.05453	5.3
202.04967	1.4
203.03352	26.9
204.03705	1.0
205.04935	3.1
207.02834	1.9
211.07539	3.0
213.05441	7.0
215.03400	2.3
215.06998	3.6
217.04965	5.3
225.03741	1.7
225.05669	1.6
229.04991	5.9
231.06514	29.6
233.04407	9.5
239.06967	10.2
241.04938	3.3
243.06479	11.1
245.04402	18.5
251.05467	3.1
255.06551	3.5
257.04391	10.8
257.08002	6.0
258.04831	2.0
259.05911	5.7
260.36755	0.9
267.06442	22.2
271.05814	2.1
275.05450	19.1
285.07516	36.7
286.07941	1.9
287.05444	76.8
288.05841	4.1
289.05872	1.0
299.05374	8.1
309.87277	0.9
327.08551	1.5
393.09195	6.7
411.10306	4.2
411.11639	4.3
412.01599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2889
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
51.18768	0.6
53.03916	0.9
55.05504	7.8
57.03432	3.5
57.07059	1.0
65.03922	0.8
65.08696	0.6
67.05194	0.7
67.05493	9.5
69.03398	1.7
69.07066	3.6
70.03811	2.7
70.06539	1.2
73.06532	2.7
75.04465	1.6
79.05083	0.7
79.05482	6.9
81.03410	0.7
81.07047	13.8
83.04507	1.0
83.04967	13.4
83.08616	2.8
85.02890	0.7
85.06509	4.5
91.05462	9.1
93.07029	12.3
95.04950	2.9
95.08595	10.6
97.06507	1.1
97.10162	0.9
98.20845	0.8
98.57561	0.5
101.06001	17.1
105.07018	14.4
106.07333	0.6
107.04937	0.8
107.08578	10.5
109.02842	0.8
109.06483	2.9
109.10140	10.8
111.08054	1.9
113.05963	1.2
117.06999	3.8
119.08562	10.0
121.06467	1.8
121.10119	11.4
123.04396	0.7
123.08071	3.0
123.11667	1.9
125.09599	1.2
127.03864	0.7
128.06207	2.0
129.06992	4.8
130.07785	0.9
131.08551	10.3
133.10091	10.2
135.08038	1.4
135.11693	3.9
137.05998	0.6
137.09564	1.2
137.13161	0.8
139.07498	1.5
141.06961	2.5
141.09067	1.8
142.07742	2.7
143.08539	12.5
144.09235	0.7
145.10095	12.9
147.07974	0.8
147.11664	18.3
149.02289	1.5
149.09550	1.3
149.13261	1.8
151.07494	2.9
151.11206	0.7
155.08548	3.5
156.09328	1.2
157.08684	1.5
157.10091	21.1
159.08052	0.9
159.11671	19.5
160.12111	0.7
161.09534	0.6
161.13232	7.4
163.03889	0.8
163.11014	0.7
165.09100	1.9
169.10098	5.1
171.11662	12.5
173.13248	5.3
175.11160	2.1
175.14792	1.0
177.09125	1.0
177.12711	0.7
179.10660	1.0
181.10089	1.7
182.10846	1.6
183.11661	5.9
185.13222	5.5
187.14755	2.6
189.09195	0.6
189.12717	0.7
191.10617	1.5
193.04919	1.4
193.10182	0.7
194.05360	0.7
195.11626	2.3
196.12411	0.8
197.13213	9.0
198.13762	1.5
199.14806	5.7
201.16449	0.9
203.10808	0.6
207.11688	1.1
209.13205	2.8
211.14816	6.0
212.15564	0.9
213.16307	3.7
215.17947	1.3
221.13269	1.0
223.14833	2.9
224.15634	1.4
225.16402	4.6
227.17880	1.3
229.15800	0.7
235.14877	1.4
237.16396	1.5
238.17067	2.7
239.17953	1.5
249.16489	0.7
251.17912	6.9
253.19479	100.0
254.19891	5.0
255.21056	2.6
263.17923	0.8
265.19647	0.8
271.20505	13.3
275.17868	0.8
279.21060	1.4
281.22580	7.7
291.21027	1.0
293.22604	0.9
317.22299	0.7
319.24121	1.6
335.23557	0.6
337.25061	1.3
375.26688	2.7
381.27884	1.2
393.27676	7.6
411.29068	18.0
412.29218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2887
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
50.22565	0.7
53.03916	1.0
55.01863	0.8
55.05495	3.8
57.03415	1.0
57.07050	1.8
67.05185	0.8
67.05492	10.6
69.03411	1.4
69.07060	4.3
69.50726	0.7
69.51029	6.9
79.05475	7.8
81.03403	1.4
81.07040	12.1
83.04950	2.3
83.08596	1.7
83.80502	0.7
85.02885	1.5
85.06533	8.7
91.05460	7.8
93.07021	14.3
95.04946	2.4
95.08604	8.3
97.06509	2.0
98.20719	1.6
100.47865	0.7
104.88463	0.7
105.07014	12.7
107.08564	8.5
109.06483	2.6
109.10137	8.5
111.04422	1.9
111.08040	1.1
115.05402	0.7
117.07010	5.0
119.08551	8.4
121.06427	0.9
121.10135	9.0
123.07999	1.3
123.11642	1.3
125.09579	0.9
127.03875	1.5
128.06203	1.9
129.05482	1.5
129.06958	6.2
130.07722	1.0
131.08545	8.6
133.10110	11.8
135.08018	1.4
135.11656	2.7
139.07520	1.5
141.06970	2.1
141.09090	1.5
142.07726	2.7
143.08542	11.7
144.09283	0.9
145.04947	0.7
145.10101	16.2
147.11658	17.3
149.09674	1.3
151.07541	0.8
153.05389	0.8
155.08539	4.5
156.09242	1.3
156.60233	0.7
157.10109	19.1
159.10364	1.3
159.11667	21.3
160.12086	0.8
161.09561	0.9
161.13255	3.9
163.03793	0.8
165.09113	1.6
167.08572	1.2
168.09296	1.3
169.10097	5.5
171.11665	16.6
173.13249	4.5
175.11147	1.3
179.10606	1.2
181.10085	1.3
182.10898	1.5
183.11652	6.5
185.13216	5.0
185.61908	0.8
187.14812	1.8
193.10165	0.8
195.11703	2.9
196.12422	0.8
197.13234	9.9
199.14786	2.8
201.16333	0.9
209.13342	1.8
211.14819	5.3
213.12740	0.7
213.16316	3.4
223.14827	2.8
224.15511	1.6
225.16293	2.7
227.14362	0.9
235.14822	1.1
238.17130	3.4
239.17830	1.0
249.16270	1.0
251.17911	6.3
253.19479	100.0
254.19826	4.3
255.21019	2.0
267.20923	1.4
269.18805	1.8
271.20523	5.3
277.19427	1.0
279.21014	1.6
281.22626	1.3
289.19556	0.9
291.21085	1.0
297.21912	1.1
363.26556	1.3
375.26648	2.1
381.27692	3.3
393.27802	8.3
411.28879	14.7
412.29236	1.5
434.27228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2887
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
50.34638	1.3
51.25783	1.4
53.03921	3.9
55.01851	2.6
55.05511	7.7
57.03423	3.2
57.07046	3.2
65.03940	1.8
67.05494	19.1
69.03431	6.4
69.07058	2.6
69.72600	9.4
71.04971	3.0
73.70390	1.4
79.05477	7.8
81.07043	22.2
83.04978	8.2
83.08621	2.6
85.06527	9.7
91.05468	9.4
93.07024	15.8
95.04955	9.5
95.08589	19.0
99.04445	4.0
99.08069	1.9
105.07011	22.3
107.08562	13.7
109.02859	27.0
109.06504	3.8
109.10141	15.0
109.26262	1.2
111.04440	1.5
111.85429	1.4
117.06995	6.2
119.08553	12.9
121.06470	3.4
121.10123	11.3
123.04411	37.8
123.08051	5.6
123.11667	2.6
125.05951	1.7
125.09618	7.1
128.06233	2.3
129.06990	6.6
130.07645	1.6
131.08548	16.0
133.10121	14.8
135.08034	3.8
135.11679	2.4
137.09564	5.2
139.11174	3.3
141.06926	2.2
141.09068	6.4
142.07768	4.5
143.08531	14.4
144.09314	1.4
145.10083	19.4
147.08015	4.8
147.11649	13.3
149.09622	2.2
149.13223	1.8
151.11176	6.5
153.09192	1.7
155.08545	4.1
156.09354	2.0
157.10104	36.3
158.10692	1.6
159.11697	16.4
161.09578	4.4
161.13243	4.2
163.11104	2.7
165.09093	73.6
167.10678	7.4
169.10080	4.9
171.11668	20.3
173.13229	6.2
175.11165	2.6
175.14886	1.6
179.10638	21.3
181.10048	3.4
181.12199	3.0
182.10913	1.6
183.11670	5.1
185.13290	7.6
187.14757	2.1
193.12099	1.6
195.11732	4.1
197.13240	6.0
198.14008	2.7
199.14830	3.7
209.13275	3.6
211.14781	8.6
213.16354	34.5
215.14229	1.5
225.16312	4.2
227.17941	2.8
229.15781	7.9
231.17422	6.6
237.16284	2.8
239.18120	2.4
249.16309	3.4
251.17961	6.5
253.19481	59.5
255.17320	3.4
255.21091	2.9
266.32993	1.4
267.17459	3.9
269.18851	1.7
271.20496	5.4
279.21054	4.4
281.22665	4.6
293.22522	2.7
295.21002	2.3
297.22031	6.8
365.28339	2.4
375.26849	8.7
393.27820	72.5
394.27725	2.1
411.28891	100.0
412.29233	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	411.2886
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03926	3.9
55.05493	8.7
57.03426	3.1
57.07059	3.4
59.05003	1.7
64.52074	2.0
65.03913	2.0
67.05495	16.4
69.03400	7.2
69.07054	3.4
70.60467	2.0
71.05000	3.6
71.12782	5.7
79.05474	10.8
81.07040	24.8
83.04963	9.9
83.08615	3.9
85.06519	9.0
91.05444	11.0
93.07031	19.5
95.04950	9.2
95.08572	19.2
97.06513	2.2
99.04414	2.4
101.06019	3.7
105.07013	21.7
107.08575	15.9
109.02858	19.2
109.06500	4.2
109.10154	18.5
115.05353	2.1
117.07010	8.1
119.08571	19.3
121.06474	3.7
121.10100	11.4
123.04411	35.5
123.08047	7.7
125.09602	7.3
128.06204	2.3
129.06972	11.8
131.08521	19.9
133.10107	18.5
135.08040	4.6
135.11667	4.4
137.09599	3.5
139.11169	3.5
141.06953	3.6
141.09070	6.2
142.07761	6.2
143.08522	19.1
145.10106	24.1
147.08043	5.2
147.11644	21.5
149.09555	4.7
149.13258	2.7
151.11227	2.9
155.08511	5.2
156.09337	2.7
157.10109	36.0
159.11671	25.1
161.09619	3.2
161.13254	7.0
163.11183	2.0
165.09091	48.8
167.08551	2.3
167.10724	2.9
168.09291	2.4
168.35327	2.0
169.10101	8.2
171.11664	27.6
173.13251	9.1
175.11192	2.2
175.14827	2.3
179.10628	12.9
181.10149	4.0
181.12166	2.3
183.10191	2.8
183.11612	9.4
185.13245	10.5
187.14844	2.2
195.11702	2.7
197.13260	10.0
199.14876	5.5
201.12711	2.8
209.13220	4.7
211.14716	9.5
213.12718	2.9
213.16335	23.3
218.57178	2.1
223.14819	3.2
225.16411	2.4
227.17953	3.5
229.15810	5.5
231.17409	3.2
237.16563	2.0
238.17183	2.4
239.17896	2.0
249.16512	3.1
251.17847	5.3
253.19482	100.0
254.19873	4.0
255.17468	2.4
255.21054	4.9
267.17334	3.3
271.20477	4.0
271.77875	1.7
279.20975	4.2
281.22412	4.5
297.22098	6.9
307.14197	1.9
310.05768	2.1
365.28479	2.8
375.26770	8.4
393.27838	51.8
394.28091	3.6
402.10220	1.9
411.28888	69.9
412.29489	3.9
425.99527	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2889
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
51.70362	0.4
53.03931	0.5
55.01844	0.6
55.05504	7.9
55.95214	0.4
57.03432	4.3
57.07043	0.7
59.04971	0.9
65.03926	0.5
67.05138	0.6
67.05492	9.2
69.03400	0.7
69.07059	3.1
69.46483	3.4
69.46899	1.2
71.04957	1.5
73.06543	3.8
75.04450	2.0
79.05479	7.5
81.07043	13.0
83.04964	15.5
83.08602	2.5
85.02882	0.8
85.06523	3.2
91.04926	0.6
91.05471	9.7
93.06425	0.8
93.07027	12.8
95.04957	3.4
95.08006	0.6
95.08588	9.6
97.06512	1.3
97.10137	0.8
99.04406	0.5
101.06004	19.7
105.07012	16.9
107.04910	1.3
107.08577	11.1
109.02831	0.6
109.06507	2.4
109.10141	10.4
111.04426	0.5
111.08043	1.2
113.06015	0.9
115.05366	0.6
115.07561	0.6
116.73777	0.4
117.06986	4.7
119.08559	11.7
121.06438	2.3
121.10126	11.9
123.08059	3.7
123.11642	1.5
127.03899	0.6
128.06207	1.8
129.06995	5.1
130.07777	0.6
131.08545	10.5
133.10103	12.2
135.08047	1.2
135.11687	4.5
137.09579	1.3
139.07521	1.6
141.06976	2.5
141.09081	2.4
142.07762	4.1
143.08546	14.0
144.09358	1.2
145.02814	0.5
145.08958	1.1
145.10098	15.9
146.10417	0.5
147.07988	0.7
147.11656	22.0
148.11990	0.6
149.09573	0.7
149.13206	1.5
151.11145	0.6
154.07718	0.6
155.08522	4.5
156.09309	0.6
157.08630	2.0
157.10097	23.1
159.11668	23.0
160.12064	0.5
161.09554	1.3
161.13243	9.3
163.03857	0.6
163.11136	1.1
165.08977	0.5
167.08502	0.7
168.09384	0.5
169.10103	6.7
170.10812	0.9
171.11670	15.4
173.09619	0.7
173.13237	6.2
175.11188	2.6
175.14775	1.5
177.05458	0.6
177.08972	0.6
179.10643	1.1
181.08539	0.5
181.10092	1.8
182.10931	1.1
183.11667	6.7
185.13240	5.8
187.14813	2.4
189.12653	0.6
193.10114	0.9
195.11635	4.2
196.12392	0.9
197.13239	11.3
198.13889	0.6
199.14787	6.4
201.16425	1.2
205.10016	0.5
207.11751	0.8
209.13206	3.1
210.13988	0.8
211.14795	6.3
212.15547	0.9
213.12712	0.6
213.16350	3.6
215.14247	0.7
215.17938	1.2
217.15694	0.5
223.14778	3.2
224.15628	1.3
225.16289	3.9
227.14323	0.8
227.17862	1.5
233.15341	0.7
235.14845	1.1
237.16315	1.9
238.17165	2.8
239.17873	2.0
249.16325	1.4
251.17935	7.1
252.18379	0.7
253.19478	100.0
254.19872	3.8
255.21022	3.3
263.18008	1.4
265.19641	1.1
266.20364	0.7
267.21033	1.2
269.18921	1.2
271.20517	16.5
275.17947	0.6
277.19379	1.4
279.21060	4.1
281.22601	10.0
282.23260	0.8
291.20877	1.3
293.22601	0.9
303.21088	0.8
309.22037	0.6
311.23630	0.6
317.22543	1.2
319.24121	1.5
321.21912	0.8
323.23630	2.8
335.23740	2.3
337.25140	1.8
347.27365	0.6
353.24753	0.7
357.25699	0.9
367.26538	0.5
375.26715	3.6
393.27826	13.0
393.32980	0.8
394.28302	0.8
411.23880	1.6
411.28848	25.8
412.29245	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22985	0.6
54.46741	0.6
55.05271	0.7
55.05499	7.1
57.03425	4.6
59.04977	1.6
67.05492	7.7
69.03396	1.1
69.07038	1.4
70.94433	1.4
73.06522	2.7
75.04459	1.2
79.05473	6.1
81.06627	0.8
81.07044	11.4
83.04967	19.5
83.08583	2.8
85.06499	2.0
88.15247	0.6
91.05455	7.8
93.07031	11.9
95.04932	3.1
95.08102	0.7
95.08592	8.6
101.06004	17.5
105.07009	13.6
107.08564	8.4
107.45939	0.9
108.49785	0.7
109.02828	2.5
109.06485	2.4
109.10145	7.6
111.08030	1.1
115.05412	1.0
117.07008	3.6
119.08553	8.6
121.06442	1.0
121.09273	0.8
121.10116	11.4
123.04388	3.2
123.08023	3.1
123.11685	0.9
128.06181	1.3
129.06973	3.8
130.07768	1.2
131.08546	9.1
133.09193	0.8
133.10103	9.6
135.08086	0.8
135.11635	3.0
139.07478	2.1
141.06946	1.6
141.09065	2.8
142.07742	3.2
143.08534	10.4
145.10109	11.9
147.11667	19.8
149.09598	1.0
151.11127	0.8
154.07706	1.1
155.08524	3.8
156.09351	1.0
157.08748	1.0
157.10092	23.3
159.11673	19.9
161.09480	0.8
161.13258	7.0
163.11147	0.9
165.09082	4.6
169.10100	3.9
171.11656	11.6
173.13246	6.3
175.11147	2.2
175.14777	1.2
179.10617	1.4
181.10083	1.5
182.10887	1.2
183.11656	4.5
183.85977	0.7
185.13216	4.9
187.14784	1.8
193.10091	0.9
195.11646	1.7
197.13249	8.7
198.13934	0.8
199.14810	6.6
201.16328	1.4
209.09528	0.7
209.13148	2.9
210.14006	0.8
211.14793	6.2
213.16376	5.4
223.14699	2.4
224.15524	1.1
225.16312	3.8
227.17926	1.3
231.17412	1.0
235.14822	1.0
237.16225	1.0
238.17125	3.0
239.17845	1.9
251.17871	5.3
253.19478	100.0
254.19823	4.0
255.21043	1.7
269.18982	1.1
271.20514	22.3
272.20767	0.9
277.19583	1.3
279.20911	3.0
281.22568	7.6
282.23190	0.8
317.22623	1.0
319.24203	1.1
335.23801	1.0
337.25140	1.7
357.25638	1.2
375.26672	4.2
393.27747	11.9
394.28107	0.8
411.10620	1.3
411.24060	1.1
411.28879	28.5
412.29138	1.4
439.62808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.7
55.01855	0.8
55.05503	5.6
57.03418	1.6
67.05500	7.4
69.03405	1.0
69.07041	2.1
70.07288	3.0
73.06544	1.4
75.04490	0.6
79.05475	6.6
79.78136	0.6
81.07040	9.2
83.04959	8.6
83.08585	1.7
85.06516	1.8
91.05462	6.6
93.07025	12.5
95.04936	2.0
95.08584	7.6
98.20726	0.6
98.49906	0.6
99.04450	0.7
101.05995	9.5
103.40469	0.5
105.06325	1.0
105.07011	12.9
107.04978	0.6
107.08580	7.5
109.02858	1.1
109.06489	2.1
109.10134	8.6
111.04411	1.2
111.08113	1.0
112.98554	0.6
117.06988	3.6
119.08562	5.7
121.06481	1.6
121.10118	11.1
123.08039	2.5
123.11655	1.6
128.06154	1.2
129.06964	4.7
131.08540	6.5
133.10098	11.9
135.11662	2.4
137.05959	0.7
137.09593	0.8
139.07564	1.0
141.06972	2.2
141.09077	2.2
142.07735	2.4
143.08549	8.3
144.09320	1.2
145.08980	0.7
145.10098	12.1
147.11665	16.9
148.60576	0.5
149.09601	1.1
149.13309	0.8
151.07507	0.8
155.08487	2.7
157.10094	17.9
158.10493	0.6
159.11668	19.9
161.13248	3.3
163.11157	1.1
165.09096	1.3
167.08490	0.6
168.09282	0.6
169.10130	4.3
171.11665	13.2
173.09625	0.7
173.11897	0.5
173.13185	3.1
175.11195	1.4
175.14854	0.8
179.10643	1.2
181.10085	1.2
182.10890	0.7
183.11668	6.0
185.13206	5.4
187.14722	0.7
195.11641	1.4
197.13210	6.8
198.13918	0.8
199.14844	3.1
201.16374	0.6
205.12502	0.5
209.13243	1.8
211.14792	6.0
212.15527	1.0
213.16336	2.3
215.14157	0.5
215.17992	0.6
221.13405	0.7
223.14723	2.1
224.15602	1.9
225.16312	2.4
227.17796	0.7
238.17162	2.4
239.17848	0.7
249.16356	0.9
251.17809	3.0
253.19473	100.0
254.19794	5.1
255.20981	1.7
267.21017	0.8
271.20532	12.9
279.21085	0.8
281.22592	3.1
293.22775	0.6
337.25330	1.5
375.26810	1.3
393.27734	4.8
404.40015	0.6
411.23996	0.7
411.28885	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	411.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.57417	0.5
54.09845	0.5
55.05506	4.2
57.03411	2.2
58.10792	0.5
60.78215	0.6
67.05494	5.2
69.03399	1.1
69.07042	1.2
70.38612	2.6
73.06543	1.3
75.04447	0.7
79.05480	5.5
81.07041	8.6
83.04971	5.7
83.08587	2.3
83.28220	0.5
85.02906	0.6
85.06478	0.7
91.05472	5.8
93.07028	10.3
93.51952	0.6
95.04935	1.7
95.08603	6.5
97.06451	0.6
98.20724	0.6
101.05995	8.1
105.07011	10.2
107.08576	7.4
109.06492	2.6
109.10126	5.8
109.37535	0.5
111.04452	0.7
117.07008	3.0
119.08568	6.4
121.06449	0.7
121.10139	8.8
123.08034	1.8
123.11670	1.4
128.06180	1.3
129.06993	4.4
131.08545	5.0
133.10101	9.1
135.11642	2.4
141.06970	1.8
141.09088	2.2
142.07738	2.5
143.08548	8.2
144.09343	1.1
145.10101	9.6
147.11671	13.8
155.08546	2.7
157.10103	15.1
159.11668	19.4
161.09657	1.0
161.13242	3.4
165.09088	0.9
169.10107	3.3
171.11668	14.3
173.13193	3.1
175.11197	1.2
181.10095	0.8
182.10951	0.9
183.11678	5.2
185.13249	5.3
187.11128	0.6
187.14780	1.1
195.11636	1.8
196.12466	0.8
197.13249	6.1
199.14835	2.3
209.13261	1.8
211.14806	4.5
213.16322	1.9
215.17868	0.8
216.91109	0.6
223.14699	1.3
224.15523	1.4
225.16380	2.0
227.17923	1.2
238.17169	2.6
242.16913	0.6
251.17870	2.1
253.19481	100.0
254.17342	0.8
254.19865	4.4
255.21072	2.5
266.20563	0.6
271.20502	6.4
279.21085	1.5
281.22607	4.4
337.25336	1.5
375.26724	1.3
387.98773	0.6
393.27856	3.3
411.20590	0.6
411.28900	13.5
412.29297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.05501	3.9
57.03420	1.4
57.07053	0.6
59.18242	0.4
65.03941	0.4
67.05491	4.9
69.03399	0.5
69.07034	1.2
71.04973	0.6
73.06544	1.0
75.04485	0.8
79.05478	4.5
81.07047	6.0
83.04960	6.5
83.08589	1.6
85.06506	1.1
87.18053	0.4
91.05469	4.4
93.07027	11.2
95.04949	1.5
95.08594	5.7
97.10080	0.4
98.21210	2.1
101.06003	9.4
105.07015	9.2
107.08577	6.1
109.02844	0.7
109.06508	1.9
109.10136	5.8
115.05439	0.7
117.07010	3.4
119.08555	6.0
121.06482	0.8
121.10121	8.9
123.04422	0.5
123.08060	2.1
123.11722	0.7
125.09563	0.4
127.03852	0.4
128.06209	1.2
129.06963	4.1
130.07784	0.6
131.08543	6.5
133.10109	8.7
135.07993	0.6
135.11690	3.0
139.07491	1.2
141.06950	1.2
141.09033	1.4
142.07736	1.7
143.08533	7.6
144.09346	0.7
145.10115	10.2
147.11661	13.6
149.13257	0.6
155.08522	3.0
156.09319	0.6
157.10103	13.7
159.11665	16.2
161.13260	2.9
163.11111	0.4
165.09094	1.2
167.08530	0.5
167.90143	0.4
168.09317	0.6
169.10092	3.5
171.11665	13.6
172.12090	0.6
173.13263	3.4
175.11151	1.0
175.14763	0.5
179.10652	0.5
181.10144	1.1
182.10870	0.8
183.11658	3.9
185.13213	4.2
187.14868	0.6
195.11682	1.3
196.12404	0.8
197.13226	7.9
198.13896	0.8
199.14818	2.4
209.13190	1.6
211.14761	3.7
212.15544	0.9
213.16397	1.4
215.17830	0.5
223.14789	1.5
224.15514	1.6
225.16315	1.9
227.17836	0.7
229.15837	0.4
237.16345	0.8
238.17134	2.3
239.17903	0.6
249.16304	0.5
251.17882	3.6
252.18755	0.6
253.19476	100.0
254.19777	4.3
255.21021	1.7
271.20547	5.2
279.21072	1.3
281.22549	2.9
335.23676	0.5
337.25229	1.1
357.25662	0.5
375.26917	0.9
393.27896	3.9
411.28870	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	411.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59164	0.8
53.12433	0.7
55.05510	4.6
57.07069	1.9
65.03941	0.8
67.05492	8.7
69.07061	4.4
69.55869	3.5
69.56293	3.2
71.04965	1.1
79.05487	4.4
79.05872	0.7
81.03391	1.2
81.07047	9.7
83.04971	2.4
83.08600	3.1
85.06522	11.8
86.74755	0.7
91.05460	6.1
93.07033	10.5
95.04945	3.1
95.08587	8.1
101.05991	1.3
103.46931	0.7
105.07017	12.6
107.08573	7.5
109.06503	1.4
109.10139	8.3
111.08072	1.7
113.05962	0.8
115.07430	0.8
117.07003	3.4
119.08553	7.6
121.06445	0.8
121.10118	8.6
123.08061	0.9
123.11719	1.2
128.06195	1.3
129.06987	4.7
130.07765	0.9
131.08548	6.6
133.10104	8.7
135.11681	3.1
139.07494	2.2
141.06964	2.2
141.09097	2.5
142.07739	3.0
143.08539	9.1
145.10100	12.5
147.11656	15.6
147.12834	0.9
149.09604	1.1
149.13277	1.9
155.08519	3.3
157.08742	0.9
157.10089	14.2
159.11674	16.8
161.13243	4.6
165.09145	2.0
169.10077	4.2
171.11665	12.2
173.13252	3.3
175.11244	1.3
177.12773	1.0
181.10101	1.9
182.10936	1.4
183.11674	5.6
185.13269	6.2
187.11154	0.9
187.14819	1.7
195.11731	2.0
197.13261	7.7
199.14703	4.0
201.12723	1.4
201.16362	0.9
207.11755	1.2
209.13283	2.7
211.14754	4.5
213.16458	1.3
215.17935	1.7
221.13281	1.7
223.14830	1.7
224.15477	1.1
225.16373	1.5
227.17909	1.2
235.14787	0.8
237.16328	1.7
238.17111	2.7
239.17870	0.8
249.16444	1.2
251.17918	5.4
253.19484	100.0
254.19907	3.1
255.21040	2.7
265.19321	1.0
267.20984	1.7
271.20618	1.9
277.19431	2.1
279.20966	2.8
281.22577	3.3
283.24326	0.7
289.19684	1.6
291.21014	1.2
293.22662	0.9
297.22211	1.2
302.13507	0.7
316.97177	0.7
335.23468	0.9
363.26779	3.2
375.26688	2.7
381.27814	5.3
393.27798	7.2
411.28867	15.3
411.33896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01852	1.2
55.05502	4.1
56.05028	3.7
57.03421	0.8
57.07055	1.0
60.04518	2.7
65.03925	0.5
65.36018	0.3
66.20457	0.3
67.05136	0.6
67.05489	11.9
67.48015	0.3
68.05000	1.0
69.03419	3.6
69.07051	3.3
70.06576	0.8
71.04974	3.3
71.08614	0.6
71.42374	0.3
71.42702	0.6
72.08125	0.4
77.03903	0.3
79.05016	0.7
79.05476	12.6
80.05005	3.3
81.03405	2.8
81.05782	1.9
81.07037	12.0
82.06564	5.7
83.04951	1.1
83.08604	2.8
85.06541	1.5
85.10183	0.4
87.04453	3.4
91.05460	6.1
93.07026	22.3
94.06548	18.7
95.04940	4.0
95.08587	18.2
96.08120	3.9
97.06516	4.6
97.10136	1.0
98.09673	0.4
103.05435	1.0
105.04535	0.4
105.07008	9.7
106.06529	0.4
107.07309	3.5
107.08531	0.7
108.08123	0.4
109.10165	0.4
110.09661	10.7
111.08060	13.4
111.11674	0.4
117.17428	0.3
119.08475	0.3
120.08044	0.7
121.10081	0.5
122.09641	34.1
123.08044	24.8
123.08757	0.5
123.09966	0.9
128.10693	37.6
129.11028	0.5
140.10672	100.0
141.09074	8.6
141.10913	2.1
158.11743	9.4
192.27875	0.3
192.31114	0.3
213.15045	0.3
251.05287	0.4
254.24785	1.0
272.25772	5.9
272.78696	0.4
336.32648	0.5
337.98773	0.3
364.31952	0.9
376.31937	0.7
382.33105	4.0
394.33093	12.5
395.33557	0.7
412.34259	6.2
413.21710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1698
Annotation	Kopsinicine
Peak:m/z	Relative Intensity
53.03921	0.2
55.01865	0.2
55.05479	0.2
56.05026	0.2
59.04995	0.4
63.56171	0.2
67.05489	0.2
68.07177	0.2
69.03406	0.8
69.07040	0.2
70.06582	0.9
71.69061	0.3
79.05478	0.2
81.03381	0.3
81.07003	0.2
83.04963	0.3
84.04491	0.2
84.08098	0.2
85.02892	0.4
86.09675	0.5
91.05472	0.7
93.07021	0.2
105.07010	0.7
105.64742	0.2
107.08583	0.2
108.87263	0.2
109.02801	0.2
117.52731	0.2
122.06053	0.2
127.03859	0.3
128.10695	0.2
129.06987	0.3
131.08549	0.4
135.70061	0.2
137.02425	0.3
137.07085	1.4
137.09547	0.3
138.07849	0.5
139.08646	0.9
140.03236	0.2
143.08597	0.4
145.10100	0.6
147.99431	0.2
148.07521	0.2
150.07858	0.4
151.08641	0.9
152.07053	0.6
157.10147	0.4
159.11703	0.2
163.08641	0.7
165.05270	0.4
165.06575	4.6
166.08746	0.3
167.08545	0.3
169.10149	0.4
179.08182	0.5
182.08168	0.4
183.11633	0.7
184.07359	0.2
185.09566	0.3
187.08667	0.2
189.10359	0.4
190.10994	0.5
191.11763	0.2
193.10133	0.6
194.08122	0.7
195.11736	0.3
211.11154	1.5
226.10666	0.6
227.11740	0.3
232.12047	0.3
239.10666	0.2
255.11221	0.4
257.11697	1.2
275.12674	1.8
315.05237	0.3
341.18674	1.0
353.15030	0.2
367.16360	0.4
385.17535	1.3
395.07458	0.5
413.17004	100.0
414.17358	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	413.1701
Annotation	Kopsinicine
Peak:m/z	Relative Intensity
53.06363	0.2
55.05490	0.2
58.06578	0.3
67.05476	0.3
70.06550	0.2
79.05457	0.2
81.03403	0.2
82.06579	0.2
85.02901	0.3
91.05495	0.2
93.07026	0.3
97.06462	0.2
100.11251	0.3
105.06998	0.5
105.66138	0.2
109.02883	0.2
109.10146	0.3
117.06968	0.3
119.08540	0.3
121.07618	0.2
131.08575	0.6
135.09177	0.3
137.07082	0.6
138.07864	0.4
140.69914	0.2
142.07730	0.2
145.10095	0.5
150.07866	2.6
151.08640	3.8
154.01958	0.2
159.11659	0.2
161.10732	0.6
162.11514	0.3
163.08649	3.1
164.09438	1.6
165.06592	0.9
174.07878	0.6
175.08669	0.7
176.14082	0.2
177.06558	0.2
182.15363	0.4
187.08636	0.8
189.10249	2.0
190.10944	1.5
191.08176	0.5
191.11752	0.6
201.10252	0.5
215.11768	0.5
216.12508	0.4
227.11739	0.6
241.13251	0.5
295.18091	0.6
323.17508	0.3
339.17117	0.7
341.18600	4.4
349.15140	0.2
367.16434	4.7
368.16895	0.3
369.18152	0.3
385.17477	0.9
386.18076	0.2
388.19635	0.2
413.17014	100.0
414.17313	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05497	2.0
57.07054	2.3
57.25997	0.5
67.05495	9.1
69.03406	1.0
69.07050	1.7
71.04978	0.6
71.15345	1.3
75.29925	0.5
79.05480	6.7
81.07047	8.4
83.04971	0.8
83.08572	0.9
85.02903	0.6
85.06530	10.7
91.05469	6.3
93.07031	9.5
95.04933	1.6
95.08590	8.9
97.06503	1.0
105.07010	10.3
107.08584	11.7
109.06488	0.6
109.10139	11.5
117.06992	3.7
119.08555	6.2
121.10131	15.8
123.08075	1.0
123.11658	1.3
125.09541	0.8
128.06175	0.9
129.06970	3.4
130.07741	1.0
131.08549	9.4
133.10107	15.7
135.11661	3.2
141.06947	1.2
142.07780	4.8
143.08546	5.8
144.09312	0.6
145.10110	12.2
146.10396	0.6
147.11662	18.8
149.09563	1.1
149.13254	0.6
151.11140	2.6
155.08505	2.6
157.10106	35.8
158.10443	1.1
159.11668	20.7
160.46095	0.5
161.09581	1.2
161.13202	1.7
163.11176	1.6
164.92343	0.6
169.10133	3.0
171.11670	9.4
173.13220	4.7
175.11147	7.7
177.12735	0.9
181.12152	0.7
182.10907	0.8
183.11653	5.2
183.63545	0.5
185.13257	4.0
193.66078	0.5
195.11723	0.7
196.12395	0.9
197.13219	7.9
199.14879	1.0
209.13243	1.0
211.14813	6.4
212.15514	1.6
213.16273	1.3
223.14807	1.6
224.15579	2.5
225.16333	3.8
238.17128	2.0
251.17883	0.7
253.19484	61.5
254.19801	3.7
271.20523	100.0
272.20883	5.5
281.22626	1.5
351.24261	0.6
377.28299	1.0
395.29514	3.3
413.21555	0.6
413.30417	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	413.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16575	0.5
53.03930	0.5
55.05500	1.6
57.07049	1.2
65.03918	0.6
67.05499	9.8
69.03426	0.5
69.07047	1.0
70.83199	1.7
79.05482	5.8
81.07040	8.1
85.06527	10.3
91.05463	6.8
93.07032	10.0
94.47708	0.4
95.04966	0.7
95.08598	7.7
97.31647	0.5
105.07021	10.2
107.08572	13.8
109.06480	0.7
109.10143	9.9
109.83990	0.4
116.06219	0.5
117.06966	2.8
119.08567	6.2
121.10128	17.6
123.08120	0.5
123.11691	0.7
125.09588	0.9
128.06158	0.8
129.06995	4.0
131.08549	9.7
133.10112	13.5
134.77788	0.5
135.11664	2.9
137.09560	0.7
141.06921	1.2
142.07770	5.2
143.08539	6.0
144.09311	0.8
145.10106	11.3
147.11664	17.5
149.09583	1.4
149.13147	0.6
151.11160	2.9
155.08522	2.0
157.10106	39.5
158.10538	0.7
159.11673	21.1
160.12120	0.5
161.13248	1.7
163.11118	2.0
168.09320	0.6
169.10097	3.1
171.11673	7.5
173.13222	4.1
173.14635	0.6
175.11165	8.7
177.12682	0.8
182.10828	0.9
183.11652	4.8
185.13251	3.9
197.13237	8.3
198.13960	0.8
199.14780	1.1
209.13060	1.1
211.14799	6.9
212.15549	1.2
213.16292	1.7
223.14740	1.0
224.15533	2.2
225.16315	3.6
227.17850	0.6
238.17128	1.6
253.19481	56.6
254.19901	4.1
255.83090	0.5
271.20526	100.0
272.20874	5.7
281.22647	0.9
377.28415	0.5
395.29291	1.0
413.30429	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	413.3043
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
55.01862	7.7
55.05492	3.6
57.03417	1.1
57.07062	1.6
67.05496	19.0
69.03429	0.9
69.07048	2.0
70.39738	0.8
71.04990	4.5
76.38352	0.8
79.05475	8.9
79.42934	0.8
81.07042	13.2
83.08607	2.5
85.06522	4.1
89.06045	2.1
91.05454	9.1
93.07030	14.8
95.04941	8.7
95.08585	10.6
98.21458	2.2
105.07012	16.0
107.08577	13.7
109.06496	2.5
109.10136	13.8
113.05977	9.2
117.07005	4.5
119.08550	9.9
121.06447	1.3
121.10122	19.1
123.08035	1.6
123.11728	1.2
128.06209	1.2
129.06979	5.8
131.08537	9.6
133.10103	19.2
135.11679	5.2
140.08545	1.0
141.06917	1.9
142.07790	6.5
142.10796	0.9
143.08549	10.3
144.09360	1.4
145.10086	15.7
146.10568	1.0
147.11658	23.2
149.09610	1.3
149.13255	2.0
151.11136	2.1
155.08505	3.6
157.10106	39.6
158.10547	1.3
159.11659	27.8
161.13252	5.2
163.11127	1.4
169.10088	4.0
171.11659	15.5
173.13235	5.7
175.11159	6.5
175.14755	1.5
183.11694	6.2
185.13240	6.1
187.14764	1.2
195.11496	1.1
197.13203	12.3
198.13966	1.2
199.14758	3.3
209.13274	1.5
211.14755	7.7
212.15497	1.1
213.16428	2.8
215.17903	4.7
223.14699	1.7
224.15549	1.7
225.16359	4.7
227.17905	1.0
238.17204	3.1
251.18033	1.8
253.19470	100.0
254.19798	5.8
271.20517	52.7
272.20941	2.5
283.24176	2.4
323.23456	1.1
325.25174	7.0
377.28333	2.2
395.29398	24.3
396.29486	1.7
413.30441	50.1
414.30783	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05491	1.5
56.15256	0.7
57.03397	0.8
57.07062	1.8
57.87519	0.6
59.62891	0.8
59.98079	0.7
67.05492	9.8
69.07044	1.5
70.09331	4.0
79.05478	6.2
81.07043	8.9
84.03411	0.8
85.02860	0.8
85.06531	14.2
91.05466	6.2
93.07032	9.7
95.04956	1.7
95.08595	7.2
97.06484	1.0
98.20849	0.9
98.21363	1.3
105.07014	9.8
107.08584	11.1
109.10148	9.9
117.06978	3.8
119.08554	6.3
121.10120	17.8
122.10477	0.8
123.11681	1.9
125.09583	1.3
128.06166	1.0
129.06967	5.3
129.58530	0.7
130.07748	0.8
131.08542	9.8
133.10114	14.9
134.56848	0.8
135.11652	3.2
141.06999	1.4
141.09128	1.2
142.07729	5.8
143.08563	7.0
144.09262	1.1
145.10098	11.0
145.80602	0.7
147.11661	18.7
149.09607	1.6
151.11127	2.4
155.08521	2.4
157.10107	40.5
158.10461	1.5
159.11673	21.4
161.13206	2.5
163.11153	2.6
169.10106	2.8
171.11679	9.0
173.13216	4.7
175.11166	8.4
177.12683	1.0
182.10875	0.9
183.11649	5.0
185.13264	4.2
196.12340	1.0
197.13219	9.5
199.14738	1.3
209.13193	1.6
211.14793	6.0
213.16330	2.1
223.14771	1.6
224.15654	1.8
225.16342	4.2
227.17822	0.8
238.17166	2.5
251.17885	3.2
253.19481	62.9
254.19765	3.9
255.20995	1.7
269.18994	0.9
271.20520	100.0
272.20914	4.5
281.22702	1.1
363.59778	0.8
377.28381	1.3
395.29196	2.9
399.21933	0.7
413.30310	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	413.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.6
55.05491	2.9
57.03426	1.5
65.03922	2.9
67.05490	23.2
69.03404	1.7
69.07049	5.7
70.75303	2.6
71.04984	2.5
79.05464	7.1
81.03399	1.5
81.07043	17.4
83.08591	3.6
85.06535	5.8
90.49554	1.3
91.05458	11.7
92.24701	1.3
93.07033	18.2
95.04967	10.0
95.08592	11.7
97.06488	3.0
98.21268	2.2
105.07012	20.0
107.08570	17.7
109.06507	4.0
109.10136	19.2
113.05994	11.4
117.07000	4.0
119.08566	13.5
121.10118	20.9
123.08176	2.2
123.11697	3.7
128.06183	2.3
129.06992	5.9
131.08548	14.2
133.10103	24.3
134.10403	1.7
135.11667	6.8
136.98935	1.4
142.07780	5.8
143.08549	13.3
144.09242	1.4
145.10100	19.2
146.10423	1.8
147.11646	30.7
147.12727	2.5
149.13258	2.8
151.11154	2.8
155.08514	4.3
157.10095	51.9
158.10498	2.7
159.11668	30.7
161.13263	6.4
163.11192	1.9
169.10130	5.6
171.11671	14.2
173.13235	7.3
175.11127	8.3
175.14857	2.3
177.12820	1.9
181.09909	2.0
183.11661	6.8
185.13277	8.9
187.14864	2.2
197.13223	12.4
199.14731	4.6
209.13231	2.7
211.14764	9.8
212.15373	1.4
213.16432	4.6
215.17941	5.7
223.14806	2.7
224.15489	1.9
225.16339	5.0
227.17831	1.6
238.17174	2.3
251.17950	2.6
253.19476	100.0
254.19933	7.1
255.20319	1.5
271.20523	66.9
272.20923	2.5
283.24246	3.4
307.24200	1.8
325.25253	5.1
348.58740	1.6
377.27930	1.6
395.29401	17.3
413.22351	2.3
413.30447	55.1
414.30844	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	413.3041
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
55.05495	1.7
57.07066	1.9
67.05142	0.9
67.05490	10.4
69.07041	1.2
70.17699	3.3
79.05497	5.6
81.06605	0.8
81.07043	7.7
85.06527	13.1
91.05469	7.1
93.07035	10.2
95.04941	1.0
95.08587	7.3
97.06496	0.8
98.18697	0.7
105.07005	10.0
107.08581	9.9
108.90514	0.7
109.06436	0.9
109.10138	11.2
117.06989	2.8
119.08561	7.1
121.06561	0.8
121.10125	15.0
123.11665	1.2
125.09635	0.9
129.06967	4.2
129.24423	0.8
130.96982	0.7
131.08556	10.0
133.10106	14.1
135.11656	3.0
137.09480	0.8
141.06999	1.6
142.07764	4.1
142.08772	0.9
143.08554	7.2
145.10107	12.6
147.11665	17.5
151.11163	2.3
155.08530	2.8
157.10103	35.1
158.10466	0.8
159.11674	19.8
161.13248	2.3
163.11110	2.5
169.10112	3.2
170.45636	0.8
171.11687	8.2
173.13263	4.9
175.11189	7.8
177.12674	1.4
182.10892	0.8
183.11659	5.6
185.13275	4.0
196.12483	1.5
197.13196	8.2
199.14853	0.9
201.16287	0.8
209.13184	1.0
211.14760	5.6
212.15572	1.1
213.16310	1.5
223.14847	1.0
224.15588	2.1
225.16321	3.3
238.17358	1.1
253.19487	51.9
254.19775	2.0
271.20520	100.0
272.20831	5.6
281.22537	2.2
321.34015	0.8
377.28021	1.1
395.29462	3.7
413.30261	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	413.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.1
55.01863	15.7
55.05502	3.3
57.03425	0.9
57.07057	1.8
58.50957	0.8
59.61353	0.8
65.03914	1.7
67.05495	25.2
69.03406	2.3
69.07040	3.8
69.61359	6.6
70.06577	0.9
71.04980	1.3
77.17673	0.9
79.05470	7.7
81.07042	13.8
83.04971	1.5
83.08603	1.2
85.06538	5.6
91.05462	8.3
93.07027	13.1
95.04963	12.6
95.08589	13.6
97.06522	1.5
98.20712	1.8
105.07015	15.3
107.07897	0.5
107.08568	15.6
109.06476	1.4
109.10139	16.6
111.08043	1.7
113.05992	13.0
115.05370	1.0
117.06991	4.9
119.08550	10.6
121.10127	24.9
123.08006	1.1
123.11638	2.2
125.09642	1.4
129.07002	4.2
131.08546	12.2
133.10104	21.5
135.08026	1.1
135.11659	3.9
137.09595	1.1
141.06923	1.9
142.07776	6.5
143.08551	11.9
144.09279	1.2
145.10104	18.9
147.10561	1.7
147.11661	21.0
148.11967	1.4
149.09608	1.3
149.13194	2.3
151.07561	0.9
151.11185	4.4
155.08487	4.3
156.09282	1.2
157.10104	52.7
158.10466	2.5
159.11679	27.1
161.09561	1.2
161.13225	2.5
163.11136	1.7
169.10052	4.7
171.11668	11.3
172.12228	0.8
173.13269	5.5
175.11163	10.6
177.12752	2.2
178.43869	0.8
179.75711	0.8
181.10094	0.9
182.10870	1.0
183.11632	7.8
185.13228	5.0
187.14732	1.3
195.11671	1.1
196.12402	1.1
197.13290	9.4
198.13977	1.1
199.14795	2.1
209.13252	1.5
211.14774	9.9
213.16394	2.4
215.14217	1.0
215.17827	1.1
223.14864	2.1
224.15570	3.2
225.16353	3.5
227.17825	1.4
238.17058	1.9
251.17883	1.4
253.19479	72.5
254.19896	5.5
271.20526	100.0
272.20868	4.7
283.24094	1.4
307.40121	1.0
324.08139	1.0
331.65640	0.9
383.29602	1.3
395.29370	3.9
413.08505	1.1
413.30444	74.5
414.30856	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3045
Annotation	Testosterone cypionate
Peak:m/z	Relative Intensity
51.20277	1.0
52.54491	1.0
55.01863	13.0
55.05502	3.0
57.07063	2.7
59.16238	1.3
65.03909	1.5
67.05146	1.5
67.05495	25.1
69.03407	4.1
69.04538	5.0
69.07047	4.0
69.82585	6.2
70.06586	5.6
71.04971	2.8
79.05468	10.2
81.03367	1.4
81.07042	18.1
83.04953	3.3
83.08601	2.5
84.67996	1.2
85.02904	1.4
85.06511	6.3
86.09694	1.2
91.05470	12.7
93.07030	18.2
95.04959	14.5
95.08595	14.7
97.06522	3.2
105.07014	18.3
107.08579	24.1
109.06501	2.8
109.10140	18.8
110.10450	1.2
113.05982	14.1
113.53873	1.2
115.05378	1.8
117.06993	6.0
119.08572	11.8
121.06472	1.6
121.10129	28.2
122.09631	2.3
123.04411	1.4
123.07994	2.0
123.11712	2.5
125.09620	2.4
127.03905	1.6
128.06168	2.2
129.06998	6.5
131.08536	14.1
133.10100	20.2
135.11681	6.0
137.05968	1.4
137.09564	2.1
141.06958	2.3
142.07748	6.2
143.08540	10.5
144.09303	1.4
145.10097	19.8
147.11670	28.1
149.09586	2.2
149.13213	4.2
151.07480	1.4
151.11145	3.3
153.01808	1.7
155.08571	4.1
157.10104	50.6
158.10429	2.0
159.11659	30.3
160.12093	1.9
161.09613	1.7
161.13271	4.3
163.03958	1.6
163.11133	2.4
165.05409	1.8
165.09129	2.4
169.10065	5.1
171.11662	13.8
173.09627	1.4
173.13295	8.1
175.11182	11.6
181.10220	2.0
183.11667	7.2
185.07881	1.4
185.13266	7.1
187.14847	1.6
195.11737	1.6
196.12476	1.1
197.13206	11.8
198.14067	1.1
199.14864	1.3
209.13237	2.2
211.14780	11.8
212.15460	1.3
213.16325	3.8
219.02858	1.6
223.14795	1.9
224.15523	5.0
225.16275	3.9
227.17824	1.3
228.29588	1.1
238.17108	3.1
250.74442	1.3
251.17844	1.3
253.19481	88.5
254.19846	5.4
255.20381	2.0
271.20520	100.0
272.20801	6.0
273.21176	1.5
291.83652	1.3
355.26065	1.6
367.08090	1.7
395.29373	8.9
413.08673	2.2
413.30405	84.8
414.30820	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.01868	13.1
55.05491	4.3
57.00888	0.8
57.03395	2.2
57.07032	2.0
60.26199	0.6
62.03192	0.7
65.03902	1.7
66.98603	0.7
67.05492	24.6
69.03384	3.4
69.07014	2.9
70.06553	0.9
70.44199	1.3
70.44548	2.9
71.04956	2.4
74.61846	0.7
79.05475	8.2
81.03380	1.8
81.06622	1.0
81.07045	13.6
83.04928	2.3
83.08596	1.8
85.02859	1.3
85.06526	7.1
89.42671	0.8
91.05453	9.5
93.07026	13.6
95.04951	13.1
95.08028	0.9
95.08589	14.7
97.02869	1.2
97.06463	2.3
99.04433	0.8
99.07977	0.7
105.07011	14.8
107.07931	1.3
107.08582	17.2
109.02821	1.4
109.06477	2.1
109.10136	17.8
111.04417	0.8
111.08035	2.0
112.08302	0.8
113.05981	14.6
115.05444	1.0
117.07000	4.5
119.08572	11.1
121.10124	23.4
123.08015	1.6
123.11644	3.1
125.09613	2.1
127.03871	1.9
128.06129	1.4
129.06981	6.0
131.08546	13.9
133.10107	21.5
134.10425	1.1
135.08087	1.0
135.11703	4.7
137.09572	1.3
141.06943	2.9
142.07739	5.1
143.08551	8.9
144.09254	1.4
145.10095	18.3
147.08003	1.0
147.11661	24.3
148.12000	1.4
149.09581	2.5
149.13274	3.6
151.11151	3.6
153.06978	0.9
155.08492	2.8
156.09090	0.7
157.10103	50.3
158.10472	2.4
159.10381	1.3
159.11674	27.1
160.11974	1.3
161.09584	1.4
161.13185	3.3
163.11151	2.8
169.10100	3.5
171.11642	11.8
173.13251	8.0
175.11159	10.9
177.12697	2.1
182.10944	1.3
183.11664	7.0
184.12228	0.9
185.11711	0.7
185.13174	4.8
187.14723	1.8
195.11653	1.4
195.13579	0.8
196.12419	1.2
197.13211	9.7
198.13683	0.9
199.14813	1.8
201.16422	0.9
209.13142	2.0
211.14799	9.2
212.15283	1.8
213.16335	2.2
214.83612	0.8
215.17732	0.9
222.09200	0.7
223.14737	1.7
224.15532	3.0
225.16296	5.2
238.17160	2.3
253.19473	76.1
254.19844	6.1
255.20493	2.4
267.00555	0.9
271.20523	100.0
272.20776	5.6
274.18695	0.7
283.24237	2.0
322.18173	1.0
325.25278	1.0
355.26151	0.7
377.28357	1.1
395.29480	5.6
413.21573	2.1
413.30441	81.9
414.30789	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	4.8
65.03914	2.5
67.05457	5.1
69.03410	8.9
69.69151	2.6
69.94330	12.8
69.94753	4.4
69.99809	2.5
70.06591	2.3
83.04958	15.6
84.04482	28.9
85.02896	4.2
93.03377	4.5
95.04937	16.4
103.05481	3.2
105.03391	3.2
107.04947	4.4
111.04408	29.8
120.08061	5.6
121.06451	3.0
123.03507	5.5
123.04406	100.0
129.05452	15.4
131.04901	5.5
133.02837	7.4
134.05983	5.1
135.04416	9.1
139.03864	14.7
143.04880	4.0
147.06476	3.0
148.07558	7.5
149.05954	8.0
150.05507	5.0
151.03876	12.3
152.07066	8.1
157.04967	11.7
158.05986	7.4
159.04370	5.9
160.07587	3.8
161.05960	7.1
162.05557	6.3
163.03882	28.6
164.07033	6.0
165.07841	13.1
166.08609	11.8
176.07034	35.7
177.05447	17.9
178.04962	5.4
178.08615	9.9
179.03333	14.6
184.92400	2.5
186.05415	13.2
187.03900	4.6
194.08080	21.2
195.06471	3.1
204.06529	72.4
205.04935	14.6
205.06676	3.0
222.07565	50.4
223.05971	12.6
240.08585	7.1
276.10892	2.8
307.08102	3.9
308.72247	2.7
325.09082	5.8
333.48083	2.9
353.08789	21.9
396.12851	43.6
397.11148	12.7
414.13947	38.0
415.18683	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	414.9532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25099	0.4
56.96557	8.6
57.97330	0.3
69.77545	2.6
71.95256	1.5
87.51400	0.4
98.97568	65.3
99.97911	0.4
106.45864	0.3
108.88751	0.3
116.98605	60.5
117.98959	0.5
130.93289	1.6
134.99637	31.6
140.00134	2.3
148.94376	0.6
153.00687	3.9
158.01259	1.6
159.76753	0.3
172.94337	3.8
174.97707	0.4
190.95375	5.9
192.98714	0.4
208.96457	2.2
214.95314	1.9
230.93378	1.0
232.96437	9.3
234.99663	0.7
248.94279	1.8
248.99442	0.4
250.97508	6.0
256.96405	14.4
256.99112	0.7
257.96326	0.4
258.99890	0.7
266.95499	0.6
269.49374	0.3
272.94519	1.3
274.97470	100.0
275.97745	2.0
277.00778	1.1
290.95331	3.0
292.98532	67.6
293.98944	1.4
297.99036	6.2
298.97812	0.8
306.96365	0.4
308.96362	0.9
310.99634	1.0
314.95462	2.8
316.00009	3.0
316.98740	2.5
332.96503	4.9
333.96317	0.5
372.95831	1.6
390.96951	2.2
408.98331	0.5
414.95291	3.0
432.96390	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	414.9532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	7.7
61.02889	0.6
64.32018	0.5
69.03400	1.0
71.69236	0.7
71.95228	1.4
76.76102	0.4
84.08121	0.9
85.02865	1.7
86.09664	1.2
97.02835	1.0
98.97565	56.1
105.57600	0.5
110.33735	0.5
110.97543	0.9
112.99100	1.8
116.98604	48.6
128.98526	0.9
130.93263	1.8
131.00127	2.8
134.99632	24.5
139.03828	0.5
140.00165	1.7
145.04851	0.6
146.99565	0.9
148.94273	0.6
149.01190	1.3
153.00677	2.6
154.93193	0.4
158.01237	1.1
158.99591	1.0
161.01161	0.8
163.03888	1.9
172.94341	2.8
175.02702	0.6
175.76860	0.4
177.00639	0.6
178.04883	0.8
190.95361	4.7
193.03778	1.0
208.96452	1.8
211.04900	0.8
212.02493	0.5
214.95305	2.2
219.01781	0.8
232.96397	8.3
235.04837	2.3
235.07016	0.5
237.02814	2.0
245.04857	0.5
246.03442	0.5
246.91130	0.5
250.97507	4.6
253.05916	0.7
253.08313	0.5
256.96375	14.0
265.05942	0.7
269.34796	0.4
274.97464	100.0
275.97766	2.0
292.98508	68.0
293.98895	1.4
297.99100	4.4
310.99753	0.7
316.00211	3.0
337.08008	1.3
355.09134	0.7
373.04233	0.6
414.95224	3.6
432.96399	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	415.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	51.8
66.92558	1.3
69.03410	3.2
70.06581	3.5
71.69016	2.5
83.04957	2.0
84.08130	3.1
84.96021	18.6
85.02885	3.6
86.09690	3.1
91.05759	2.5
95.04946	1.5
97.02876	2.8
98.97565	60.3
102.97065	3.0
107.04936	2.9
108.04491	1.4
110.97549	13.2
111.04431	2.2
111.25369	1.3
112.99124	3.2
116.98597	50.0
117.03365	2.6
120.98074	1.5
123.04414	3.7
124.99142	1.5
127.03873	2.3
128.98586	24.9
129.05540	1.7
131.00154	7.3
134.99638	27.8
135.04393	5.5
139.03891	4.9
140.00137	2.7
140.98578	2.5
143.00142	9.4
144.98068	2.3
146.99626	24.0
147.04399	1.5
149.01195	5.3
151.03912	2.4
152.04413	1.5
152.98561	2.8
153.00674	3.2
158.01305	1.9
158.99632	11.3
161.01190	28.5
162.99135	3.9
163.03857	14.5
164.04160	2.6
165.00717	2.9
166.08530	1.7
167.00153	2.8
167.02271	1.4
170.99632	11.3
177.00673	14.1
177.05453	1.3
179.02144	6.9
182.99654	2.0
185.01189	9.8
186.04308	1.7
189.00633	9.8
191.68513	1.3
192.98195	2.9
194.99716	2.2
195.01646	2.4
197.01237	1.5
198.99109	2.5
201.00630	6.5
203.02251	13.8
205.06906	2.2
207.01649	1.9
210.99086	7.5
213.00627	8.6
219.01720	38.8
222.07719	1.7
223.07953	2.0
225.00729	1.7
226.03874	1.4
227.02211	3.0
229.00150	54.0
231.01826	2.5
237.00830	2.1
237.02785	61.8
238.03018	1.6
240.08640	2.0
242.03371	4.3
247.01207	19.3
251.02200	1.7
252.01764	3.8
253.00188	3.7
253.03883	2.7
253.36519	1.4
255.03870	4.0
260.04352	2.2
266.08960	1.7
271.01108	9.0
279.01788	2.1
293.03412	2.2
295.01245	4.3
297.02963	6.0
304.14203	1.4
307.01248	4.3
313.02261	4.6
315.03949	1.7
337.02341	5.4
344.97797	2.2
355.03293	47.1
355.07660	3.0
373.04337	100.0
374.04837	3.9
378.04831	2.6
391.05487	7.8
396.05823	9.6
397.13196	3.1
415.05304	8.4
415.13870	1.7
436.24472	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	415.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88215	1.6
53.64106	1.4
56.96548	8.9
61.02897	2.2
69.03405	1.9
85.02883	4.3
94.06579	2.4
97.02880	2.1
98.97559	24.0
98.98149	2.1
110.97553	5.1
112.99109	51.1
116.98592	12.0
123.04412	2.9
128.98592	6.2
131.00156	64.4
134.99620	2.5
146.99608	4.4
149.01196	35.8
154.01695	2.3
158.99655	9.4
161.01225	2.5
163.03902	3.5
167.02275	2.6
170.99657	4.2
175.02753	9.7
177.00626	9.2
189.00723	7.8
190.73723	1.4
193.03828	29.3
193.05565	2.0
207.01729	4.4
211.04866	20.9
219.01752	3.6
229.00186	2.6
234.19296	1.4
235.04858	100.0
237.02751	4.0
247.04845	4.5
253.05931	25.2
265.05942	25.9
265.08795	2.3
276.07608	2.2
279.03867	16.1
295.06979	6.7
325.08203	1.9
355.03247	1.5
373.04388	4.6
415.10275	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	415.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01844	0.5
56.19181	0.3
62.36204	0.4
67.05492	1.1
68.99776	0.7
69.03414	0.7
69.07057	0.9
70.06580	1.5
70.09672	1.2
70.10088	1.1
72.08141	0.8
79.05484	1.0
81.07059	0.6
84.04482	0.8
84.08122	0.5
85.02895	0.7
86.09700	0.9
91.05453	0.5
93.07027	0.5
95.01213	0.3
95.04939	1.0
95.08594	0.4
97.06514	5.0
103.05392	0.4
105.07005	0.8
107.04965	0.7
107.07334	0.4
107.08626	0.4
109.02872	0.4
109.10191	0.8
112.12112	0.4
119.08590	0.7
121.06520	0.5
123.04433	0.7
123.80451	0.4
127.03963	0.4
133.06464	0.6
135.08037	0.4
137.02341	0.4
138.09148	0.6
138.61389	0.4
140.05278	4.1
145.06488	0.5
147.04407	1.1
149.09630	0.4
153.01799	3.2
163.03912	0.8
163.07460	0.5
165.01801	0.9
167.07097	0.5
175.03789	1.1
179.03366	2.4
180.10477	0.4
191.03386	1.1
193.05052	0.5
203.03511	0.4
207.02896	1.8
219.02945	1.2
221.04424	0.8
235.02357	0.5
247.02455	1.4
249.03937	0.4
251.06926	0.5
253.05038	0.6
255.06584	0.4
261.03992	0.7
269.04529	0.4
269.08005	0.4
271.05960	0.8
273.04117	0.5
279.06619	0.5
281.04349	0.5
287.05383	0.5
289.03607	0.9
297.07584	1.1
299.05676	0.8
299.09085	1.1
309.07587	0.6
315.08511	3.5
317.02979	0.8
319.04425	0.9
322.84976	0.4
323.09189	0.6
325.06976	3.0
325.10474	0.5
327.05200	2.5
327.12137	0.5
341.10541	0.6
343.08096	1.1
351.08716	0.6
353.06638	1.9
353.10471	0.6
355.11475	6.7
356.11664	0.5
369.09702	1.5
371.07321	2.5
383.10950	29.8
384.11349	1.6
387.14478	1.0
397.04648	0.7
397.08923	2.6
401.11884	1.9
415.13736	100.0
416.14096	6.4
416.19162	0.6
424.13705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01853	2.1
55.05488	1.6
58.99576	11.1
61.01134	1.2
67.05499	6.2
68.99776	1.3
69.03419	55.2
69.07047	2.2
69.57858	5.3
70.03753	0.8
70.06570	0.9
73.01124	5.9
75.02685	1.3
79.05481	2.6
81.07051	4.2
83.04970	1.9
83.08577	0.8
85.01118	6.4
85.02898	1.0
86.09671	1.0
86.99041	7.2
87.00818	7.5
87.04435	1.7
89.00563	0.6
89.04240	1.3
91.05468	2.0
93.07011	3.2
95.04947	3.5
95.08584	5.1
97.02931	0.6
97.06509	0.9
98.21440	1.3
99.02672	5.3
99.08083	1.6
101.00569	1.2
103.02126	1.3
105.00076	4.4
105.06997	2.7
107.04942	1.3
107.08580	2.5
109.02849	12.3
109.06481	1.9
109.10140	14.2
113.00571	34.2
113.04208	3.3
117.03695	2.5
117.06996	1.0
119.01604	2.2
119.08570	1.5
121.06478	2.0
121.10118	2.7
123.04415	0.9
123.08057	1.5
123.11709	0.8
131.01596	7.3
131.08536	0.9
133.10080	1.7
135.08014	1.1
137.05975	5.0
137.09569	3.2
139.03877	0.9
139.10162	1.0
139.11153	10.4
141.03699	1.2
143.08514	1.1
145.03175	6.2
145.10075	1.9
147.01205	0.7
147.11653	1.6
149.05981	1.2
149.09541	0.8
151.07565	1.5
157.10071	1.3
159.11638	0.8
163.04225	3.8
165.09097	1.8
167.06978	2.2
171.11700	0.7
173.02667	4.5
177.05356	1.0
179.03362	0.7
183.04730	64.2
184.05040	2.8
189.12733	6.1
191.00026	3.1
191.03677	4.1
207.13812	2.4
211.07640	0.8
219.10071	0.6
239.10971	100.0
240.11301	4.9
251.29506	0.7
271.20560	1.4
283.13461	1.9
289.03302	0.9
289.21689	0.9
299.09167	0.9
311.13040	2.1
320.80872	0.8
370.90479	0.7
371.07553	1.0
415.09662	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	415.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29673	0.3
52.78260	0.3
53.03941	1.5
55.01851	0.8
55.05503	14.7
57.03417	0.5
61.83273	0.3
67.05494	9.1
69.03407	0.9
69.07048	0.5
69.76881	2.4
70.06600	0.5
71.04984	1.9
72.08142	0.5
79.05469	1.5
81.03385	0.4
81.07050	5.4
83.04967	100.0
84.05317	0.6
84.08134	0.4
86.09696	0.5
87.00788	0.4
91.05454	0.7
93.07040	2.2
95.04910	1.6
95.08595	3.2
98.20684	0.4
99.08056	0.6
101.06017	0.9
104.95596	0.3
105.07007	0.8
107.08588	1.6
108.59061	0.4
109.06502	1.1
109.10140	20.0
111.08086	0.5
119.08540	1.7
121.06505	0.5
121.10150	1.3
121.68855	0.3
125.05999	0.4
127.03932	0.3
127.07541	0.5
133.04948	0.5
133.10184	0.4
137.09593	29.6
138.09959	0.4
144.44492	0.4
149.09618	0.7
153.01791	0.5
155.10593	1.8
165.09091	26.7
166.08559	0.5
167.07051	0.9
167.09117	0.3
167.10719	0.7
183.06635	0.5
183.10129	1.4
188.89015	0.3
191.14255	0.3
201.11191	2.7
269.13879	1.4
279.12338	1.0
297.13379	2.9
355.13071	0.5
371.07495	1.2
383.12177	0.7
415.19601	23.2
416.19977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3197
Annotation	DIOSGENIN
Peak:m/z	Relative Intensity
54.28446	1.3
55.05490	4.5
57.03428	5.3
64.30430	1.1
67.05497	9.2
69.07060	30.1
70.83239	1.0
71.30451	1.6
71.30800	2.4
73.06535	3.8
79.05484	7.4
81.07048	11.8
83.04974	1.7
83.05444	1.1
83.08582	1.1
83.33588	1.2
91.05428	6.9
93.07030	9.6
95.04955	1.6
95.08592	9.1
97.06506	5.6
105.06995	8.5
107.08564	12.0
109.10142	12.8
115.07547	4.1
117.07011	5.4
119.08559	11.5
121.10114	17.5
122.27985	1.2
123.11667	1.6
123.16539	1.2
125.09613	18.9
127.11177	3.3
129.06973	4.3
129.93544	1.2
131.08553	8.8
133.10110	18.7
135.11699	3.1
141.07001	1.6
142.07738	3.4
143.08517	7.1
144.09312	1.6
145.10123	12.1
147.11678	19.5
149.09528	1.5
151.11172	2.7
155.08556	2.3
157.10104	39.3
159.11682	21.8
161.13240	3.0
169.10071	2.5
171.11691	9.1
173.13229	6.3
175.11124	7.0
183.11679	6.8
185.13235	4.0
197.13217	8.5
199.14825	2.0
211.14806	5.4
213.16391	2.1
219.80658	1.3
224.15569	2.0
225.16336	3.5
238.17194	1.9
253.19461	55.6
254.19746	2.3
271.20529	100.0
272.20963	4.1
283.24164	2.5
304.26080	1.7
397.30826	2.9
415.32162	17.3
417.64731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	DIOSGENIN
Peak:m/z	Relative Intensity
50.82197	0.6
51.02341	0.7
53.03898	0.9
55.01836	1.5
55.05448	3.3
57.03374	2.5
57.07048	0.9
58.00317	0.6
60.49876	0.5
65.03881	0.7
67.05495	8.4
67.45760	0.5
69.03347	1.9
69.07055	28.7
69.07405	1.6
70.06522	1.4
71.04949	0.9
71.70255	0.8
73.06548	4.2
79.05479	6.6
81.03379	1.1
81.07041	14.1
83.04903	1.4
83.08558	0.9
84.08076	2.1
85.02832	1.8
85.06475	0.9
86.09625	0.8
88.18031	0.7
91.05443	7.7
93.07024	12.1
95.04881	2.8
95.08586	11.8
97.02820	0.7
97.06519	5.4
97.10109	0.7
99.04372	0.8
105.06361	1.0
105.07005	13.8
106.07267	0.7
107.04876	0.8
107.08578	14.7
109.02830	1.1
109.06436	1.5
109.10133	13.5
111.04356	0.7
115.07561	4.8
117.07007	4.2
119.08557	8.4
121.06403	0.9
121.10115	21.4
123.04372	1.5
123.08027	1.2
123.11663	2.9
124.11151	0.7
125.09603	7.6
127.11152	1.6
128.06140	1.5
129.06998	4.4
130.08612	0.8
131.07669	0.7
131.08549	11.3
133.10106	17.7
135.08034	1.1
135.11644	4.6
137.09528	0.9
137.13214	0.8
139.03818	1.8
141.06940	1.4
142.07767	3.8
143.08527	8.2
144.09216	0.9
145.06421	0.6
145.10085	14.6
147.11658	18.9
148.11967	0.7
149.09552	1.5
149.13162	2.0
151.07480	1.7
151.11122	2.1
153.01714	1.0
155.08519	4.0
156.09183	0.7
157.10100	40.4
158.10445	1.3
159.11682	18.7
161.09549	1.1
161.13246	2.9
163.03842	1.2
163.11107	3.2
165.09001	0.8
167.06955	1.6
169.10085	3.9
171.11641	7.8
173.13203	5.8
175.09869	0.8
175.11153	7.9
175.14844	0.6
177.09009	0.7
177.12718	1.5
181.04893	0.6
181.09990	0.7
182.10962	1.0
183.11641	5.7
185.13210	3.6
187.14760	1.0
191.10742	0.9
191.14267	0.8
196.12431	0.6
197.13228	7.1
199.14769	1.9
201.12706	0.9
201.16187	0.9
205.12196	1.0
205.58290	0.6
209.13152	1.4
211.14793	6.5
212.15625	1.1
213.16354	1.9
215.14166	0.7
215.17819	0.8
219.13791	0.7
223.14819	1.4
224.15492	2.5
225.16295	4.2
227.17787	0.7
238.17119	2.3
253.19475	54.2
254.19838	2.1
255.20575	1.3
271.20511	100.0
272.20856	4.8
273.21332	1.3
283.24167	4.1
379.29895	1.2
395.81354	0.7
397.31021	2.0
415.10355	3.1
415.32007	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82197	0.6
51.02341	0.7
53.03898	0.9
55.01836	1.5
55.05448	3.3
57.03374	2.5
57.07048	0.9
58.00317	0.6
60.49876	0.5
65.03881	0.7
67.05495	8.4
67.45760	0.5
69.03347	1.9
69.07055	28.7
69.07405	1.6
70.06522	1.4
71.04949	0.9
71.70255	0.8
73.06548	4.2
79.05479	6.6
81.03379	1.1
81.07041	14.1
83.04903	1.4
83.08558	0.9
84.08076	2.1
85.02832	1.8
85.06475	0.9
86.09625	0.8
88.18031	0.7
91.05443	7.7
93.07024	12.1
95.04881	2.8
95.08586	11.8
97.02820	0.7
97.06519	5.4
97.10109	0.7
99.04372	0.8
105.06361	1.0
105.07005	13.8
106.07267	0.7
107.04876	0.8
107.08578	14.7
109.02830	1.1
109.06436	1.5
109.10133	13.5
111.04356	0.7
115.07561	4.8
117.07007	4.2
119.08557	8.4
121.06403	0.9
121.10115	21.4
123.04372	1.5
123.08027	1.2
123.11663	2.9
124.11151	0.7
125.09603	7.6
127.11152	1.6
128.06140	1.5
129.06998	4.4
130.08612	0.8
131.07669	0.7
131.08549	11.3
133.10106	17.7
135.08034	1.1
135.11644	4.6
137.09528	0.9
137.13214	0.8
139.03818	1.8
141.06940	1.4
142.07767	3.8
143.08527	8.2
144.09216	0.9
145.06421	0.6
145.10085	14.6
147.11658	18.9
148.11967	0.7
149.09552	1.5
149.13162	2.0
151.07480	1.7
151.11122	2.1
153.01714	1.0
155.08519	4.0
156.09183	0.7
157.10100	40.4
158.10445	1.3
159.11682	18.7
161.09549	1.1
161.13246	2.9
163.03842	1.2
163.11107	3.2
165.09001	0.8
167.06955	1.6
169.10085	3.9
171.11641	7.8
173.13203	5.8
175.09869	0.8
175.11153	7.9
175.14844	0.6
177.09009	0.7
177.12718	1.5
181.04893	0.6
181.09990	0.7
182.10962	1.0
183.11641	5.7
185.13210	3.6
187.14760	1.0
191.10742	0.9
191.14267	0.8
196.12431	0.6
197.13228	7.1
199.14769	1.9
201.12706	0.9
201.16187	0.9
205.12196	1.0
205.58290	0.6
209.13152	1.4
211.14793	6.5
212.15625	1.1
213.16354	1.9
215.14166	0.7
215.17819	0.8
219.13791	0.7
223.14819	1.4
224.15492	2.5
225.16295	4.2
227.17787	0.7
238.17119	2.3
253.19475	54.2
254.19838	2.1
255.20575	1.3
271.20511	100.0
272.20856	4.8
273.21332	1.3
283.24167	4.1
379.29895	1.2
395.81354	0.7
397.31021	2.0
415.10355	3.1
415.32007	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.32
Annotation	DIOSGENIN
Peak:m/z	Relative Intensity
50.52843	0.4
50.89753	0.4
53.03894	0.5
55.05507	2.7
57.03426	2.2
61.58030	0.5
65.03898	1.0
67.05498	6.9
69.03374	0.5
69.07056	29.3
69.76612	3.2
70.31138	0.5
71.10603	0.4
73.06553	4.6
79.05473	6.2
81.07038	7.7
83.04978	0.9
83.08589	1.1
84.00143	0.5
91.05454	6.8
93.07030	10.0
95.04914	1.7
95.08017	0.5
95.08586	8.8
96.08044	0.5
97.06520	5.7
99.08077	0.6
105.06348	0.8
105.07004	10.1
107.08569	12.9
109.06451	0.7
109.10143	11.9
115.07533	3.5
117.07005	3.1
119.08560	13.5
121.10123	16.0
122.10399	0.5
123.11650	1.3
125.09612	11.4
127.11116	1.6
128.06155	0.5
129.06961	3.1
130.07727	0.7
131.08542	9.6
133.10112	14.3
135.11668	4.6
141.06900	0.5
142.07742	3.4
143.08554	5.8
144.09268	0.8
145.09010	0.6
145.10103	11.7
147.11664	17.2
149.09534	1.5
149.13219	1.6
151.11143	2.3
155.08528	2.5
157.10101	35.3
158.10460	0.8
159.10370	1.0
159.11670	19.8
161.09512	0.8
161.13194	2.1
163.11140	1.8
168.09412	0.5
169.10078	2.6
171.11671	7.7
173.13211	4.3
175.11151	8.1
175.14743	0.9
177.12750	1.6
183.11661	4.9
185.13231	4.6
187.14749	0.9
195.11636	0.6
196.12427	0.6
197.13239	7.3
198.13911	0.5
199.14798	1.3
209.13196	1.0
210.14012	0.6
211.14807	6.1
212.15573	0.6
213.16331	1.8
223.14766	1.0
224.15602	2.4
225.16356	4.0
227.17903	0.5
228.29796	0.5
238.17032	1.4
242.16748	0.7
252.43024	0.5
253.19482	56.6
254.19865	1.9
261.61652	0.5
271.20517	100.0
272.20877	4.2
272.25644	0.6
283.24158	3.0
379.30106	0.9
397.30988	2.0
415.32019	21.6
416.32416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.4
57.03422	4.0
61.29311	0.9
67.05492	7.2
69.07054	24.5
73.06534	3.8
79.05477	6.3
81.07040	8.9
83.04957	1.0
83.08595	2.1
91.05447	5.7
93.07025	10.0
95.08593	7.0
97.06503	5.1
97.10126	1.7
98.20702	2.6
98.21415	3.3
103.05428	1.0
105.07009	9.3
105.12646	0.8
107.08578	11.2
109.10138	9.6
111.75438	0.9
115.07556	5.0
117.06985	2.7
119.08565	8.6
121.10117	15.3
123.08051	1.0
123.11702	1.6
125.09614	15.6
127.11172	2.0
129.06985	2.9
131.08543	7.1
133.10098	11.4
135.11687	2.9
142.07764	3.4
143.08562	5.2
145.10106	10.6
147.11655	16.4
149.09682	1.2
149.13206	1.6
151.11214	2.1
155.08492	1.6
157.10097	30.9
159.11662	14.7
160.74141	1.0
161.13167	1.2
163.11172	1.7
169.10165	1.5
171.11682	5.5
173.13203	4.5
175.11163	5.8
183.11688	4.4
185.13240	4.3
187.14725	1.0
196.12515	1.0
197.13223	6.8
209.13269	1.5
211.14828	5.5
213.16356	1.4
224.15567	1.9
225.16391	2.5
229.77014	1.0
229.79066	1.1
238.17068	1.5
253.19479	52.7
254.19814	1.4
255.21106	1.2
271.20517	100.0
272.20828	4.0
283.24182	3.8
314.83188	0.8
344.97702	1.0
365.76425	1.0
379.29855	1.4
397.30933	1.8
415.31952	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	415.3202
Annotation	Diosgenin
Peak:m/z	Relative Intensity
53.03923	3.6
55.01863	2.5
55.05505	10.4
57.03417	2.6
57.07060	6.2
67.05489	34.5
69.03422	12.8
69.03715	2.0
69.07059	18.5
70.06571	4.4
71.04980	4.1
71.70135	2.6
72.08137	4.0
79.05482	17.4
81.03398	2.2
81.07042	54.7
83.04979	3.4
83.08595	7.4
83.19809	1.7
84.08118	4.3
85.06532	11.4
91.05437	14.5
93.07025	22.3
95.04932	7.1
95.08582	33.2
97.06505	4.4
97.10157	3.5
99.08063	4.2
105.07014	24.6
107.04929	1.9
107.08569	26.0
109.06491	7.2
109.10134	51.6
110.10544	1.9
111.04451	3.3
111.08060	4.6
117.06990	5.2
119.08559	17.3
121.06523	3.0
121.10122	19.2
123.04420	3.3
123.08064	5.1
123.11671	18.2
125.05993	2.7
125.09625	28.3
127.11164	15.8
128.06189	2.3
129.06995	4.1
131.04767	1.9
131.08549	19.6
133.06477	3.2
133.10098	27.4
135.07990	4.4
135.11684	9.1
137.05937	8.5
137.09604	7.0
137.13203	3.0
139.03880	2.0
142.07748	4.7
143.08521	13.4
145.06636	1.9
145.10103	22.3
147.08031	3.1
147.11644	16.2
149.09612	4.4
149.13248	7.0
151.03905	1.9
151.07523	6.1
151.11154	14.0
155.08571	6.5
156.09341	2.9
157.10095	46.8
158.10541	2.3
159.11671	15.5
161.09616	2.2
161.13251	3.7
163.11223	5.0
165.09088	5.1
167.07022	3.6
167.08479	2.2
169.10098	7.1
169.12231	6.8
171.11650	20.3
173.09567	2.5
173.13217	7.1
173.69876	1.7
175.11174	5.7
175.14748	2.4
177.09111	5.9
181.04828	2.1
181.10074	3.2
182.10884	1.7
183.11693	7.2
184.12434	2.1
185.13222	9.6
187.14748	3.2
189.12784	2.3
191.10666	5.0
194.10645	1.6
196.12520	3.5
197.13225	10.0
198.13902	2.0
199.14795	5.0
201.16400	2.8
205.12206	4.2
209.13229	4.5
211.14798	14.8
213.16338	52.3
213.18248	3.4
215.14540	2.2
215.18034	2.0
223.14784	2.3
225.16353	3.3
227.14256	2.2
227.18027	2.3
229.15839	15.1
229.19518	2.8
231.17400	17.0
237.16322	4.4
247.16884	2.0
251.17859	3.3
253.19440	21.6
255.17519	3.0
255.20119	4.2
271.20532	30.5
273.21964	2.0
281.22821	2.3
302.45255	1.9
379.29956	10.6
385.30933	2.3
393.62234	1.9
397.30994	24.2
415.32053	100.0
416.32571	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	416.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
55.01851	5.0
60.04496	6.4
61.02916	1.9
65.03928	3.5
67.05483	2.9
67.57597	1.8
68.99764	2.0
69.03416	11.8
70.06576	13.0
70.73868	4.8
78.04689	2.9
79.05076	2.0
79.05463	9.5
81.03424	12.3
81.07035	3.8
84.08109	7.0
85.02888	20.9
86.09667	7.5
87.00818	6.8
91.04929	2.7
91.05462	43.5
92.05820	2.6
94.06544	5.3
95.04936	5.2
97.02869	6.9
99.04430	4.6
105.01823	5.0
105.07003	12.4
106.06533	4.3
107.04930	65.8
109.02859	9.8
109.06474	4.5
111.04420	3.5
115.05438	4.5
117.05715	6.4
117.06991	5.7
119.48968	1.7
120.07287	2.8
120.08086	24.9
121.06463	1.8
122.05969	3.8
122.09637	3.7
123.04398	6.7
124.05211	3.8
124.07536	2.3
127.03899	15.7
127.12297	2.3
128.04166	2.3
131.08557	2.5
132.08066	61.8
133.06473	13.7
136.07545	4.9
140.07027	4.5
142.07677	2.1
145.04903	4.9
145.06442	8.3
147.04404	2.7
150.07896	2.9
150.09116	60.6
151.03879	3.7
152.04617	2.4
157.55844	1.8
159.02849	6.7
159.11644	1.8
164.07037	15.9
167.07018	100.0
167.08415	4.8
168.10222	7.5
169.04912	3.9
173.05971	14.1
181.04921	17.2
185.09564	3.7
205.08549	2.7
216.95143	2.0
219.02872	2.9
233.08046	8.6
273.03909	3.6
306.14932	2.4
370.16357	6.4
387.14343	17.3
388.17477	6.4
398.14621	4.0
416.17038	22.9
417.15372	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01855	0.9
55.91643	0.5
67.01855	2.9
67.05495	1.2
68.99789	1.4
69.03432	2.8
69.86876	0.5
70.06564	1.3
70.82882	1.0
70.83252	1.1
72.08134	0.7
73.02885	0.9
81.03398	2.3
81.07040	0.7
84.08140	4.0
85.02892	9.9
86.09679	1.3
87.00796	1.8
91.05457	0.6
95.04946	0.6
96.37582	0.5
97.02876	2.5
99.04465	1.3
105.01837	2.1
109.02866	3.2
109.10123	0.6
115.05542	0.6
117.06956	0.8
123.04425	5.0
127.03899	10.1
127.12278	1.6
145.04926	2.7
145.06474	0.9
151.03877	17.1
159.02904	2.9
161.06018	0.5
161.11702	0.5
167.07016	9.4
169.04938	100.0
170.05261	1.4
173.05928	1.7
181.05020	2.8
193.04938	0.8
203.07362	0.6
231.04987	0.7
233.07948	1.1
281.59689	0.6
297.19250	0.6
364.29330	0.5
387.14127	1.3
417.10138	0.8
417.15216	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1534
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03927	0.5
55.01842	0.7
58.06593	2.2
63.38712	0.4
65.03916	1.4
66.01168	0.4
67.05473	0.9
69.03394	0.9
69.65575	0.9
69.65982	2.9
78.04691	2.7
79.05468	1.8
81.03394	0.6
81.07027	1.0
82.04206	0.5
82.45103	0.4
83.62923	0.4
84.08131	0.5
85.02876	0.8
86.09663	0.7
91.05457	1.6
93.03361	0.6
93.06987	0.9
95.04942	1.3
95.08585	0.5
95.79343	0.4
97.06534	0.5
98.21490	0.5
103.05432	0.7
105.04472	0.4
105.06993	2.4
106.04150	1.3
107.04937	2.4
110.03631	0.6
111.04388	0.8
111.08088	0.5
115.05424	3.7
117.06997	4.9
123.04422	7.3
123.11621	0.4
124.05190	2.9
125.05968	0.6
127.03889	0.9
127.05405	1.2
129.06969	0.8
133.06425	1.5
135.04382	0.5
137.05931	1.0
138.37784	0.4
139.03865	1.6
142.02614	0.5
143.04869	0.6
144.05592	0.4
145.06465	7.6
145.10147	0.6
147.07997	1.4
151.03873	1.5
152.04703	2.3
155.05974	2.8
159.08011	1.5
161.05957	1.4
163.03897	1.0
163.11137	0.4
167.07007	100.0
168.07361	1.7
173.05956	13.1
174.06628	0.5
175.07475	1.0
181.04918	17.7
185.09572	0.5
187.07480	0.7
191.07034	0.5
193.08566	3.4
201.05534	0.8
205.08545	4.6
207.10095	4.7
217.08464	0.5
219.10181	0.8
222.03938	1.4
231.10146	1.2
233.08046	6.7
235.09627	3.0
245.11758	0.7
333.13229	1.3
339.12531	0.6
357.10687	1.2
367.09106	1.0
376.13690	0.6
380.70178	0.5
385.10239	1.5
387.14328	11.2
388.14169	0.6
396.42599	0.4
408.16486	0.4
417.15372	23.2
418.15094	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1537
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03925	0.6
55.01851	0.4
60.15917	0.3
65.03927	1.5
67.05484	1.1
69.03415	0.7
70.94320	0.6
70.94656	0.4
77.03952	0.3
78.04699	2.6
79.05472	2.2
81.03393	0.4
81.07029	0.6
82.04175	0.6
84.08154	0.3
85.02869	1.3
91.05477	1.4
93.03355	0.4
93.07024	0.4
95.04939	1.3
95.08545	0.6
96.05694	0.5
97.02875	0.3
97.06467	0.5
103.05462	1.9
105.07009	0.7
106.04160	1.1
107.04937	2.6
109.10104	0.5
110.03656	0.7
111.04435	0.4
115.05429	3.7
117.07000	4.9
119.08564	0.3
121.06514	0.4
123.04410	8.3
124.05206	2.8
125.05984	0.4
127.05415	0.8
129.07004	0.3
131.04871	0.9
133.06471	0.5
134.03642	0.5
135.04419	0.4
137.05922	0.7
138.03073	0.4
142.02583	0.4
143.08479	0.3
144.05612	0.6
145.06467	8.0
147.04407	0.5
147.08052	0.8
148.05089	0.3
151.03899	1.6
152.04654	2.5
153.05397	0.4
155.06067	2.5
160.05118	0.3
161.06010	0.5
163.07474	0.4
167.07011	100.0
168.07339	2.6
171.06493	1.6
173.05959	14.3
174.06334	0.5
175.07582	0.5
181.04930	23.5
190.06326	0.4
191.07007	1.4
193.08556	0.6
201.05408	0.7
205.08551	3.3
207.10164	0.6
213.09164	0.3
219.10153	0.9
221.59396	0.3
232.08513	0.3
233.08031	6.9
235.09578	3.4
284.11429	0.3
381.13382	0.7
387.14325	12.7
388.14789	0.7
399.14548	0.5
417.15414	23.8
418.15628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01859	0.6
55.05499	0.4
65.03928	1.7
67.05492	1.4
69.03402	0.7
69.07067	1.2
70.06577	0.7
70.25478	0.8
71.04976	0.6
73.43872	0.2
75.04478	0.3
77.03917	0.2
78.04699	3.2
79.05482	2.4
81.03385	0.5
81.07040	1.7
82.04179	0.7
83.04956	0.4
84.08115	0.7
85.02898	1.9
86.09686	0.2
91.05456	2.1
93.03398	0.4
93.07030	1.0
95.04965	1.3
95.08585	0.9
96.40876	0.2
97.02846	0.6
97.06512	0.8
99.04417	0.2
103.05458	1.8
105.03400	0.3
105.07019	2.3
106.04175	1.2
107.04939	3.0
107.08543	0.7
108.02089	0.4
109.02831	0.6
109.06451	0.6
109.10133	0.7
110.03652	0.7
111.04433	0.7
111.11700	0.3
115.05439	3.4
117.06992	4.5
118.04162	0.2
119.08531	0.7
121.02891	0.2
121.06480	0.3
121.10135	0.7
122.03558	0.3
123.04412	6.7
124.05196	3.1
125.05951	0.8
127.03890	0.4
127.05416	0.9
129.06979	0.6
131.04950	1.2
131.08537	0.5
132.05652	0.4
133.06479	1.9
134.03566	0.3
135.04402	0.3
137.05923	0.7
138.03078	0.4
139.11168	0.3
142.02597	0.6
143.04927	0.5
143.08485	0.3
144.05695	0.5
145.06464	7.8
145.10078	0.2
147.04428	0.3
147.08035	0.6
148.05132	0.3
149.09613	0.3
149.13286	0.6
151.03865	1.4
152.04665	2.1
153.06877	0.4
155.04904	0.4
155.06013	2.0
157.06474	0.5
157.10156	0.4
159.08047	0.6
159.11679	0.6
161.05989	1.9
163.07487	0.6
165.05479	0.3
167.07011	100.0
168.07335	2.1
169.01323	0.4
171.06493	0.9
172.05205	0.4
173.05948	11.9
175.07556	0.8
176.04778	0.3
177.09076	0.2
181.04926	19.4
181.06155	0.7
182.05278	0.3
185.09644	0.6
187.07542	0.7
191.07016	1.6
193.08586	3.2
199.70496	0.2
201.05441	0.7
203.06946	0.3
205.08546	3.3
207.10039	1.4
213.09090	0.9
217.08742	0.3
219.08330	0.3
219.10103	1.4
221.08061	0.3
231.10117	1.6
233.08028	7.6
233.11609	0.4
233.22182	0.2
235.07462	0.4
235.09608	3.0
245.11757	0.8
249.09604	0.3
266.08066	0.4
271.20612	0.4
295.09671	0.3
355.11560	0.3
381.13474	0.4
387.14310	11.6
388.14706	0.6
417.15390	24.1
418.15793	1.1
439.02338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	5.7
57.31942	0.5
59.31509	0.5
67.05490	1.1
69.72153	0.4
69.72464	4.0
79.05480	0.6
80.04983	0.6
81.06995	0.6
84.08142	2.9
91.05478	1.1
93.07007	0.6
94.06557	1.2
96.04443	2.0
96.08131	0.7
98.06052	0.6
105.07010	1.8
108.04449	0.8
110.06021	4.0
112.07570	0.8
117.06995	1.5
117.75299	0.6
119.08606	0.6
120.08086	2.2
121.05273	0.6
122.06003	2.8
123.06750	0.9
124.07584	6.5
127.12263	1.2
129.06953	1.1
131.08553	1.8
133.10077	0.7
135.51009	0.5
136.07562	3.6
138.09055	0.6
141.06979	1.4
143.08513	3.1
145.10095	2.2
148.07527	1.2
149.07153	0.5
149.08337	9.5
150.09109	5.4
154.07741	0.9
157.10098	3.7
159.08046	1.4
159.11678	1.8
161.09608	1.9
162.40860	0.6
165.10277	0.6
167.08548	7.7
169.10092	3.9
170.07277	0.5
185.09596	9.7
187.11087	2.9
195.08026	0.6
203.10661	2.1
213.09070	1.6
231.10109	4.1
242.15399	0.9
249.11261	3.7
252.13879	1.7
252.61487	0.5
256.10370	0.7
256.27008	0.6
270.14828	1.5
291.70258	0.6
298.14270	1.4
316.15350	11.8
317.16034	0.6
326.17667	0.6
328.18961	6.3
329.19308	1.0
334.16461	6.3
344.14792	1.3
346.16547	1.1
354.17007	1.5
356.18832	0.7
362.15921	16.7
363.16150	1.0
372.14108	1.5
372.18173	4.7
374.15958	3.7
389.20633	1.1
400.17502	54.1
401.17886	4.1
417.20132	100.0
418.20389	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56963	0.5
56.05025	7.7
57.02415	0.4
58.06581	0.8
67.05482	1.4
69.03404	1.0
69.07056	0.5
70.06600	0.6
70.81254	1.7
72.08145	1.0
77.98869	0.5
79.05476	1.6
80.05000	0.5
81.07037	0.9
84.08128	28.5
88.61121	0.5
91.05473	2.1
93.07015	0.6
94.06554	1.7
95.04976	0.7
96.04486	2.9
98.06075	0.7
105.07009	2.3
107.08585	0.6
108.04456	1.1
109.95452	0.5
110.06036	4.4
112.07579	0.6
115.05383	0.6
117.06985	2.9
119.08556	0.8
120.08080	1.9
121.05202	1.0
122.06006	3.1
123.04405	1.7
123.06816	1.6
124.07569	10.6
127.12293	11.4
127.48753	0.5
128.06198	0.8
129.06961	1.8
131.08553	2.2
133.10098	1.0
134.05951	1.0
136.07555	4.0
138.05490	0.8
138.09088	0.8
141.06978	2.4
142.07774	1.2
143.08546	4.4
145.10112	3.3
147.04390	0.7
148.07544	2.3
149.08345	10.2
149.48982	0.6
150.09113	5.5
154.07765	1.9
155.08582	0.9
157.10095	5.7
159.08063	1.6
159.11678	2.3
161.09575	2.1
165.10246	0.8
166.10989	0.6
167.08533	14.7
168.08910	0.7
169.10098	5.5
170.07312	0.7
171.08049	0.6
171.11606	0.5
175.11115	0.8
185.09586	21.7
186.09969	0.6
187.11148	3.4
191.07033	1.3
203.10686	3.3
211.53058	0.5
213.09004	1.4
231.10205	5.3
242.15410	0.5
249.11168	7.1
252.13893	2.0
253.12202	0.5
270.14899	2.1
288.15973	0.7
298.14276	0.9
300.15918	0.6
316.07309	0.6
316.15424	9.4
317.15967	0.5
328.15518	0.9
328.19067	6.5
334.16403	7.2
334.20038	0.7
344.14890	0.8
345.13339	0.7
346.16531	1.4
354.16891	1.3
356.18539	0.8
362.15933	15.3
363.16452	1.1
372.14212	1.8
372.18082	5.3
374.15936	3.3
389.20779	1.3
400.17499	64.4
401.17807	5.3
417.09137	2.1
417.20139	100.0
418.20517	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	417.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.9
57.03426	1.4
57.07043	1.1
59.94294	1.1
63.25425	0.9
65.03934	1.3
65.63168	1.1
65.74354	0.9
67.05506	1.0
69.03416	1.3
69.07049	2.9
69.41688	1.7
69.42092	8.0
70.06552	2.2
74.06078	1.1
75.67077	0.9
76.15666	0.9
79.05463	3.9
81.07041	9.6
82.06532	0.8
84.08130	1.3
85.02878	1.1
91.05477	2.4
92.05022	1.1
93.07016	2.7
95.04963	1.6
95.08572	2.0
96.08096	1.2
97.06522	1.9
98.20730	1.8
103.72404	0.9
104.11696	1.0
105.07027	3.0
106.06601	0.9
107.04906	1.7
107.08566	2.1
109.06480	1.2
109.10157	1.5
119.08575	1.3
121.10127	1.0
123.04401	2.2
123.11726	1.1
124.07587	4.6
133.10104	1.4
135.08083	0.9
145.06464	0.9
145.10149	1.2
148.03912	1.5
150.05478	1.6
152.03400	2.1
152.07077	1.5
157.10077	1.8
159.08037	0.9
159.11691	1.1
160.99396	1.0
162.09111	1.7
164.10693	4.2
166.04979	8.6
167.07013	15.9
170.08345	1.1
173.06029	1.4
174.53389	1.1
176.03395	3.0
176.14226	1.4
178.12311	1.0
180.13849	2.7
181.04910	4.2
184.09978	1.2
185.13327	1.2
194.04504	1.1
197.07063	1.1
198.07814	3.1
199.08630	3.4
200.10710	3.4
204.13821	6.4
206.15373	8.8
208.16924	1.6
209.10666	2.3
211.08632	1.6
212.09366	8.8
222.14867	3.4
225.10078	1.4
226.07335	1.8
226.10959	2.4
227.08136	2.3
227.11716	9.9
228.10162	3.6
229.13271	1.2
237.10147	2.0
239.08110	2.1
240.08888	3.5
241.09892	4.5
242.10449	2.2
244.08369	3.1
253.09570	1.0
255.11258	10.2
256.10788	4.3
257.09018	6.1
257.12854	2.7
258.09885	1.1
265.09705	1.8
269.09119	2.3
270.09952	5.1
271.20535	1.1
273.12253	3.2
283.10730	100.0
284.10977	3.1
285.08890	1.7
285.12238	1.9
286.88452	1.0
287.10178	9.0
288.10922	4.1
301.11783	62.0
302.12128	3.5
314.68924	0.9
319.12845	59.0
320.13101	3.7
329.11282	15.6
357.18036	3.3
369.18008	1.4
371.19669	1.3
387.14368	2.0
399.19119	43.9
400.19473	2.6
417.15344	2.8
417.20169	23.1
418.20633	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.6
57.03423	1.9
60.31980	0.9
61.02896	1.0
63.61594	0.9
65.03929	1.7
67.05498	5.2
69.03396	2.0
69.07047	3.3
70.06574	1.9
71.68105	1.5
72.08135	2.4
74.06061	7.6
74.09718	11.2
79.02416	1.0
79.05482	6.1
81.07043	16.5
82.06546	1.2
83.08620	1.5
84.08121	3.8
91.05467	3.5
92.04994	2.0
93.07034	5.4
95.04931	2.4
95.08599	5.5
96.08112	3.8
97.06522	2.7
97.10151	1.4
105.07009	5.5
106.06548	1.5
107.04918	1.4
107.08578	3.8
108.08073	1.9
109.06483	1.4
109.10120	3.5
117.07012	2.2
119.08562	3.1
120.08071	1.4
121.10128	2.2
121.32056	1.1
123.04410	3.2
123.08057	2.0
123.11686	1.4
124.07599	9.6
125.09577	1.4
131.08565	1.3
133.06487	1.4
133.09180	1.1
133.10139	2.6
134.09608	1.7
135.11656	1.7
136.07558	2.1
136.11186	1.3
137.05934	3.2
138.09134	3.2
143.08530	1.0
145.06541	1.7
145.10083	2.1
147.11681	1.6
149.09634	1.0
150.09131	1.2
151.07509	1.4
152.03415	3.8
157.10094	2.3
159.11681	2.2
161.13326	1.3
162.09108	8.8
164.07027	1.8
164.10670	9.2
165.09105	2.1
166.04967	19.7
167.07013	28.7
173.05984	3.6
175.09941	1.3
176.03378	7.1
176.14275	2.4
178.04942	6.0
178.12193	2.0
178.15921	2.5
180.13814	11.7
181.04929	8.7
184.09914	1.9
191.07056	1.7
192.02895	1.6
192.06494	2.8
194.04526	3.2
196.10043	1.2
198.07846	2.9
199.08514	5.2
200.10677	2.7
204.13811	26.5
205.14485	1.8
206.15369	39.3
207.15851	2.9
208.16930	5.6
209.10785	2.1
210.03903	1.6
211.08656	2.7
211.12270	1.3
212.09369	10.4
213.10303	1.8
219.10114	1.1
222.14835	4.3
224.16472	2.2
225.06456	1.4
226.10999	1.9
227.08104	3.4
227.11780	9.5
228.10178	2.9
228.12192	1.2
229.13376	1.8
237.10265	2.5
239.08028	2.2
240.08920	5.7
241.09657	4.1
242.10440	2.1
244.08459	4.2
253.09602	1.9
255.11241	13.4
257.09155	7.9
257.12796	3.4
265.09650	3.7
269.09308	1.7
270.09982	4.2
272.11642	2.4
273.12393	2.8
280.11035	1.1
283.10724	100.0
284.11182	5.6
285.08954	1.5
285.12323	2.6
287.10199	10.0
288.10904	2.4
300.10992	1.9
301.11777	79.0
302.12051	3.9
319.12836	55.1
320.13004	2.1
329.11258	28.6
330.11426	2.9
353.18436	1.3
357.17969	3.4
371.19492	3.9
381.18033	2.4
387.14218	1.3
399.19067	36.4
399.33221	1.2
407.46979	1.0
417.15411	3.1
417.20206	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	418.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05460	1.6
68.83055	1.2
69.60371	8.1
69.60786	2.1
70.06557	1.6
70.71815	1.2
72.55175	1.2
79.05461	1.3
83.04937	1.8
84.08100	2.0
86.09657	1.3
98.20743	2.7
105.06967	2.1
107.04895	3.5
123.04412	1.8
137.09547	2.1
140.04904	3.8
147.04362	2.4
149.38504	1.2
155.06018	18.6
156.06297	1.8
161.05841	1.5
163.03824	5.2
165.08990	2.0
167.05934	4.8
167.07207	10.4
168.07014	4.4
169.07588	33.7
170.05956	3.7
179.05997	12.2
180.06783	1.4
181.04910	1.4
181.07515	3.5
183.05513	17.8
184.07504	2.4
185.07092	7.9
185.09509	1.4
193.07532	12.3
193.10094	1.6
194.05971	2.0
195.05502	26.1
196.06271	14.9
197.07072	26.6
198.05418	5.0
200.46538	1.4
201.06548	1.6
207.05466	4.8
208.06096	1.4
209.07018	4.3
211.04976	1.6
211.08704	7.1
213.06557	22.9
221.07076	20.5
221.09155	2.7
223.04938	3.0
225.06548	41.2
226.06798	1.3
229.03831	1.3
229.06056	21.2
237.06458	5.2
238.07271	3.1
239.04411	3.0
239.08115	26.6
241.05881	3.8
243.07640	5.9
249.06516	11.5
249.10992	1.3
253.06039	7.7
255.07484	2.8
257.05389	4.9
265.05890	2.9
267.05029	1.4
267.07617	18.0
269.05463	2.5
271.07126	34.6
275.12808	1.8
277.06027	10.4
283.07126	1.5
285.05719	2.1
285.08652	32.6
295.07089	37.8
296.07364	3.0
312.09494	2.1
313.08133	43.0
314.08215	1.9
330.13260	2.1
331.09085	12.8
340.09009	4.9
354.10654	5.1
358.10165	46.1
359.10904	7.1
372.11523	4.7
376.13797	9.8
382.10297	9.6
400.11331	56.4
401.11227	3.8
418.12173	100.0
419.12479	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	418.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13542	6.6
53.03928	12.3
55.01867	13.2
56.05019	12.4
57.03429	13.2
59.27280	6.5
61.02901	8.6
69.03426	42.6
70.05118	41.9
70.06582	16.9
71.04962	13.0
73.02910	8.5
80.05869	6.5
81.03387	43.2
81.07037	12.0
84.04508	8.7
84.08129	14.0
85.02898	85.1
87.00809	46.9
91.03908	7.3
91.05449	10.5
92.51511	8.8
93.07031	11.2
97.02874	100.0
98.20773	9.1
99.04430	26.2
105.01830	37.6
107.04977	8.7
109.02859	31.1
109.10145	10.4
117.01856	11.3
119.04931	10.9
119.08578	8.4
121.02854	28.0
123.04441	13.2
127.03885	76.4
136.15727	7.3
145.04935	66.1
153.05435	24.3
159.02876	21.0
161.09561	7.8
163.20239	7.8
167.06999	48.4
168.07384	32.8
181.04926	9.6
231.05037	17.0
287.05511	16.2
313.11688	14.2
359.12057	13.8
372.14362	21.0
387.11597	12.7
388.14429	9.8
400.13800	20.2
418.15714	15.0
419.14621	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	418.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90928	0.7
52.79468	0.6
53.03937	1.0
55.01865	1.8
56.84868	0.6
58.06572	3.2
67.05485	0.8
67.58228	0.7
67.66022	0.7
68.46337	0.6
69.03418	1.7
69.97797	3.4
74.65321	0.6
79.05462	2.0
81.03399	0.7
81.07036	1.4
84.08144	0.7
91.05464	2.9
93.07045	1.2
97.02879	1.9
105.07005	2.9
108.04458	2.7
109.06474	0.8
110.02386	3.3
111.00764	1.5
115.05425	1.2
117.06985	3.5
121.06554	0.9
124.03941	2.0
125.02352	1.6
127.03920	1.3
129.06984	2.0
131.08551	2.6
133.10083	2.6
141.06955	2.0
142.04967	2.2
142.07733	1.8
143.08542	5.2
143.44322	0.7
145.06459	0.9
145.10091	3.2
153.12773	0.8
154.07848	1.2
155.08516	5.5
157.10097	7.1
159.08011	3.8
159.11679	2.7
161.06056	1.0
161.09586	7.3
165.06900	1.5
166.07750	1.1
167.07022	3.5
167.08539	8.6
168.07397	1.4
169.10109	4.8
171.08041	1.9
173.05963	0.9
173.09618	1.7
178.07841	1.1
179.08513	1.5
180.09299	1.9
181.10083	1.3
183.08051	5.1
183.11665	4.7
185.09566	10.7
185.13229	1.2
187.11136	3.3
193.10138	5.1
195.08014	1.3
195.11690	3.2
196.08913	0.9
197.09622	2.0
199.11243	0.8
201.09016	2.1
203.01550	0.7
203.10660	3.1
205.10129	1.0
207.10104	1.2
211.11180	5.5
213.09091	1.1
213.12640	1.9
221.09697	2.2
223.11159	2.1
229.08617	3.9
229.12259	1.2
231.10141	5.1
239.10576	3.6
245.11684	1.2
247.09534	1.6
249.08914	1.8
249.11208	7.9
256.13187	0.8
257.11710	6.9
263.12735	0.8
266.11707	0.8
267.10120	2.9
268.13135	0.7
269.11880	1.0
275.12726	13.4
284.12732	2.5
285.11273	4.6
287.12668	1.0
289.10571	3.7
295.09543	1.3
303.12302	7.7
307.11749	5.0
312.12317	1.3
313.10605	3.8
330.13321	5.6
331.11679	18.4
335.11130	1.2
348.14188	1.5
349.08575	0.9
349.12793	19.1
358.12772	17.0
359.11215	14.9
372.14355	1.9
376.13840	36.1
377.12192	9.3
418.14911	100.0
419.15262	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	418.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79243	0.7
52.32742	0.7
53.03942	1.0
55.01851	0.9
55.05497	0.8
56.05014	1.6
61.49484	0.7
63.82193	0.7
67.05493	1.7
68.05030	1.4
69.03429	2.2
69.07052	0.8
70.06587	10.5
71.13308	1.9
74.06075	0.9
79.05483	2.1
80.05013	1.5
80.34049	0.7
80.84344	0.7
81.03416	3.0
81.07043	1.4
82.06564	4.3
83.04974	1.3
84.04488	1.2
84.08141	2.9
85.02902	3.1
85.82922	0.7
86.09687	2.0
91.05474	3.2
92.05020	1.6
93.07034	1.4
94.06562	1.8
95.04980	0.9
95.83597	0.8
96.04483	1.7
96.17677	0.8
97.02876	1.6
97.06568	0.8
105.07024	2.9
107.04964	3.4
107.08570	1.2
108.04479	3.6
109.02862	14.0
110.06041	5.5
111.04456	1.4
112.03975	3.0
117.07023	1.7
119.04948	2.6
120.04453	1.9
120.08089	1.5
122.05997	4.0
123.04421	5.1
124.07620	1.8
127.03934	1.2
127.12300	1.2
129.06990	2.1
131.04895	1.2
131.08568	1.7
133.10100	1.9
135.04387	1.1
136.07562	1.0
137.05965	2.2
138.05487	34.8
139.03894	0.9
140.03400	1.3
141.07053	1.2
142.05006	1.3
142.07780	1.4
143.08574	3.0
145.02844	1.6
145.10156	2.4
147.04427	2.2
148.07602	2.4
149.05934	1.1
152.04684	0.8
152.07068	3.0
154.04936	1.1
155.08502	1.8
157.10164	4.6
159.08055	3.3
159.11659	2.0
161.09576	4.4
163.03848	1.5
166.04993	37.7
167.05316	1.1
167.07115	1.4
167.08522	8.9
168.06578	2.6
169.10138	2.8
170.08238	1.9
171.08040	0.9
177.05493	3.4
177.09090	0.9
181.10106	1.1
185.09612	8.5
186.10060	1.0
187.11151	1.4
195.11731	1.3
203.07030	1.4
203.10716	1.6
207.10106	1.9
208.09700	2.1
223.11261	0.9
231.10181	2.4
233.68034	0.9
238.15111	1.2
243.08781	4.8
244.09608	1.4
249.11241	4.0
252.13785	3.1
256.15671	1.3
262.12271	2.6
264.13861	1.3
267.06479	2.0
269.11829	1.0
270.15109	1.0
280.13345	1.9
298.14490	3.5
308.12790	5.0
326.13861	7.7
344.14825	4.6
354.13394	7.2
372.14404	39.1
373.14700	1.7
378.15399	4.0
385.15295	4.4
390.15445	18.7
401.17929	4.7
418.14975	100.0
418.20236	8.1
419.15643	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	418.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01854	9.9
55.14235	2.1
57.03420	5.9
60.19247	1.7
61.02909	6.9
66.60928	1.8
67.01868	1.9
68.99781	2.0
69.03414	34.3
69.75802	5.9
69.76234	9.9
70.06580	5.2
71.04974	5.7
72.08179	2.3
73.02905	6.1
74.06078	3.7
79.05451	3.1
81.03403	28.6
84.08125	3.0
85.02887	100.0
85.62210	1.8
87.00813	40.6
87.56907	1.9
91.05449	4.8
95.04960	2.7
96.23594	1.9
97.02874	32.6
99.04447	12.7
103.05418	4.8
105.01846	63.3
105.07036	15.0
108.04481	4.8
109.02861	29.7
117.01799	3.1
123.04441	2.9
124.07529	1.8
126.05447	2.6
127.03895	66.3
129.01836	3.8
135.08029	73.2
145.04941	27.2
147.02907	2.6
147.04376	3.0
153.01750	3.6
159.02873	12.6
161.06090	2.7
163.03922	2.4
167.06976	16.2
168.07356	6.8
177.09105	9.8
181.04973	5.2
185.09457	2.4
189.03979	5.3
193.08592	2.6
213.03897	2.4
219.10165	4.5
229.93195	2.2
231.04958	18.4
243.10196	4.0
248.07457	2.7
249.06090	6.2
257.08118	4.5
261.11249	4.5
317.06390	2.0
388.14777	3.0
403.90009	2.4
418.14261	1.9
440.61676	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.9
57.03419	0.4
57.88437	0.2
58.02943	0.2
67.05490	0.2
69.07042	0.3
69.82346	0.2
70.99426	0.2
71.70369	0.3
72.08151	0.3
74.06065	100.0
74.09700	8.2
75.05586	2.8
75.06384	1.1
79.05473	1.0
81.03407	0.4
91.05488	0.4
93.07032	0.3
95.04974	0.4
105.07041	0.4
107.08594	0.6
109.06523	0.2
119.08520	0.2
121.02802	0.2
121.06466	0.3
129.06960	0.2
131.08548	0.2
133.10106	0.3
143.08525	0.4
145.10056	0.2
150.99261	0.2
159.08070	0.4
161.05949	0.8
161.09583	1.4
167.07056	1.4
167.08409	0.3
174.74329	0.2
185.09645	0.4
191.53474	0.2
214.32271	0.2
233.66493	0.2
235.11166	0.3
249.11385	0.3
253.12262	0.3
271.13354	0.5
281.11880	0.3
299.12823	0.8
304.79724	0.2
313.11084	0.2
317.13776	4.5
318.13773	0.3
330.13376	0.3
338.14160	0.2
356.14883	0.9
358.13120	0.3
376.14017	0.6
388.15472	0.2
419.18729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01849	2.9
57.03428	4.2
61.02918	5.1
64.11063	0.7
65.03922	1.0
67.05493	1.0
69.03421	16.8
69.67194	5.3
70.06570	1.2
71.01329	1.5
71.04958	1.8
73.02912	4.1
75.04474	0.7
78.04651	0.7
79.05460	3.2
81.03404	6.5
81.07045	1.5
83.04985	0.8
85.02892	52.2
87.04433	2.6
91.03941	0.8
91.05466	11.4
93.07019	0.9
95.04945	1.8
95.08586	1.4
97.02878	9.8
99.04447	3.4
101.02398	1.6
103.03911	2.8
103.05427	2.2
105.07014	18.1
107.04930	6.8
107.05614	1.0
107.08553	1.6
109.02856	5.0
109.06497	0.8
109.10116	0.9
111.04398	3.6
115.03893	1.0
115.05446	1.7
115.98255	0.8
117.06992	1.7
119.04920	7.9
119.08528	0.8
121.02796	1.4
121.06471	7.8
121.10145	0.8
123.04404	2.7
125.05936	0.9
127.03897	10.8
128.06184	1.2
129.06985	3.0
131.04939	1.7
133.06476	25.4
133.10136	0.8
135.04373	1.6
135.08011	2.6
137.02155	0.7
137.05945	10.2
138.06721	1.3
139.07487	1.7
141.06947	1.0
143.08421	0.7
145.04932	3.2
145.06462	3.5
147.04361	1.1
147.07944	0.9
148.05092	1.1
149.05956	4.1
151.07529	3.4
153.06940	0.9
153.12682	2.1
157.06421	1.7
159.08061	1.7
161.05911	0.9
163.07507	2.8
164.08275	1.8
165.06961	3.2
167.07005	5.8
167.08389	1.3
168.07312	1.6
173.05948	1.2
178.07759	2.0
179.08563	1.4
181.04961	1.7
181.06418	3.1
182.05612	0.6
182.07213	4.1
183.08020	1.7
185.09589	0.8
191.06862	0.7
193.06479	1.4
193.08444	0.7
194.07225	1.6
195.08049	1.2
196.08775	1.1
197.05934	0.8
197.09589	4.4
199.07468	1.2
207.07870	0.8
208.08810	1.2
209.05862	0.9
210.06651	3.5
211.07495	2.4
224.08267	2.3
225.09096	4.9
226.09845	1.7
227.06900	1.5
227.10597	1.2
239.10689	2.2
240.11340	2.5
240.31232	0.8
241.08659	1.0
242.09326	6.0
257.08173	5.7
257.11685	100.0
258.11966	2.0
267.10059	0.9
269.11746	1.3
281.11780	3.8
285.11227	1.2
293.11633	1.4
299.12820	6.0
323.12650	1.6
383.15042	0.9
419.17264	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	419.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01862	3.1
57.03426	4.7
59.04967	0.9
60.04519	1.0
60.16600	0.9
61.02904	4.6
65.03929	1.1
67.05486	1.8
69.03418	20.7
69.70664	6.7
71.01348	1.9
71.04988	2.4
73.02898	4.8
79.05482	2.9
81.03403	6.5
81.07050	2.4
83.04964	1.1
85.02889	52.9
85.07652	2.5
87.04455	2.8
91.03919	1.5
91.05470	12.3
92.70430	0.8
93.07043	1.5
95.04935	2.7
95.08591	1.3
97.02878	8.0
98.21470	1.7
99.04432	2.6
101.02378	1.2
103.03941	2.2
103.05448	2.0
105.07012	17.6
105.70764	0.9
107.04926	7.5
109.02843	5.8
109.06556	1.6
111.04445	4.8
115.03884	1.5
115.05426	1.4
117.06983	1.8
119.04928	8.5
119.08579	2.0
120.70798	0.9
121.02851	1.3
121.06496	7.7
123.04408	3.9
123.08036	0.9
124.05190	1.2
125.06031	0.9
127.03902	12.0
129.06990	4.3
131.04907	2.6
133.06471	24.9
135.04376	2.1
135.05376	0.9
135.08026	2.8
137.05968	10.6
141.06932	1.5
145.04909	2.9
145.06464	3.6
147.07985	1.1
149.05988	3.8
151.03812	1.2
151.07545	3.2
153.06935	1.8
153.12759	3.3
157.06474	3.0
159.08081	1.1
161.05966	1.1
163.07556	2.2
164.08197	0.9
165.07030	3.5
167.07018	12.7
167.08400	1.4
168.05881	0.9
168.07336	3.4
169.07619	2.4
171.08003	1.9
173.06055	1.7
179.08534	2.2
181.04904	2.6
181.06328	1.6
182.07240	3.6
183.07997	2.3
187.07475	1.4
191.07057	1.2
194.07191	2.0
195.07944	1.1
196.08855	1.0
197.05931	1.3
197.09607	3.5
199.07495	1.7
205.08527	1.2
209.06184	1.0
210.06764	2.7
211.07503	3.0
224.08289	1.6
225.09085	6.0
226.09804	3.1
227.06798	1.2
229.12169	1.1
239.10640	2.6
240.11436	3.7
241.08595	1.8
242.09314	4.1
257.11685	100.0
258.12112	3.4
267.10190	1.9
269.11716	2.1
281.08923	1.2
281.11761	2.6
285.11227	2.2
293.11658	1.9
299.12665	7.4
323.12833	2.0
330.10687	1.3
389.15027	1.2
419.16534	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	419.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.01862	12.5
55.05489	6.8
57.03445	8.5
57.07066	22.5
59.04996	12.9
61.02909	4.3
67.05492	19.3
68.99776	4.4
69.03420	45.9
69.07052	14.2
70.06596	1.4
70.66750	4.6
70.67126	2.4
71.04977	8.2
73.02905	9.3
79.05470	3.9
81.02941	2.4
81.03407	43.8
81.07049	9.2
83.04967	2.5
83.08600	3.3
85.02892	78.7
85.06525	10.5
87.00816	32.2
87.04468	2.9
88.05930	1.5
91.03922	2.8
91.05444	3.0
93.07034	7.2
95.04953	4.2
95.08588	73.0
96.08936	2.1
97.02875	26.5
97.06503	6.8
99.04443	17.7
99.08071	16.0
100.08341	1.5
105.01847	23.5
105.07061	1.7
107.04917	6.7
107.08566	10.6
109.02861	43.0
109.06504	8.5
109.10136	17.2
111.08029	8.6
111.11669	3.3
113.09624	66.0
115.03912	5.2
117.01816	8.3
119.08556	3.1
122.06758	1.5
123.04340	2.0
125.02317	2.0
127.03891	66.7
127.11148	10.7
129.01805	6.2
129.09108	1.4
135.11658	18.3
137.09566	3.4
137.13225	10.3
145.04918	22.7
147.02850	4.5
148.46149	1.3
151.03923	1.8
153.12721	100.0
153.85255	1.6
154.13081	3.5
155.14287	32.1
159.02853	27.3
161.04436	2.2
166.18681	1.5
167.07057	2.7
169.04846	1.3
171.13782	17.9
177.03828	3.0
195.13586	1.4
207.02362	1.7
213.04015	2.6
213.14735	1.6
219.05005	1.9
231.04944	12.6
257.04385	10.3
302.16476	1.6
313.11618	2.7
341.10977	2.0
359.12140	2.7
373.13803	1.9
419.18750	2.0
437.24243	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01854	7.7
55.05500	3.3
57.03418	5.2
57.71099	1.3
59.01139	1.2
59.04977	2.8
60.04539	1.7
61.02915	5.0
67.05483	3.5
68.99780	5.7
69.03414	28.1
69.07062	2.5
70.06583	11.9
71.04977	61.4
71.69780	2.1
72.08144	1.6
73.02889	4.9
79.05476	5.0
81.03403	36.1
81.07034	6.2
84.08130	4.7
85.02885	56.9
85.03396	3.1
86.09678	2.9
87.00812	21.7
91.03944	3.4
91.05465	4.7
93.07027	7.2
95.04943	5.2
95.08581	4.3
97.02869	23.9
97.06490	2.3
99.04407	11.0
105.01842	12.3
105.07007	4.1
107.04923	5.7
107.08566	6.2
109.02858	22.2
109.06518	3.3
109.10137	3.1
111.08051	3.8
115.03928	2.4
117.01805	3.7
117.06966	1.5
119.04922	4.2
120.08099	3.0
121.06507	3.3
121.10170	3.6
123.04420	9.2
123.11687	6.2
127.03895	36.5
129.01823	4.1
130.05038	1.6
131.04903	1.6
131.08443	1.6
133.10097	2.0
135.04364	2.5
135.11688	7.7
137.05959	3.1
137.09604	4.4
137.13251	2.2
139.03906	3.3
139.11171	5.3
141.12714	21.8
143.08495	1.6
145.04918	12.3
147.02895	2.5
147.04337	3.4
151.11133	1.8
153.12712	100.0
154.13055	3.5
155.08606	1.8
155.14285	4.6
159.02856	12.3
163.03911	2.1
165.05406	1.8
165.12703	3.1
167.07014	3.8
171.13774	30.0
173.09558	2.0
175.07399	1.7
177.05394	3.3
181.06461	1.8
195.13734	2.5
197.05940	2.3
201.12570	1.7
203.02074	3.0
213.03893	2.6
215.06848	2.1
231.05026	5.5
243.13710	2.2
257.08334	2.4
258.08792	8.6
261.14893	2.8
267.06494	3.4
281.08176	2.0
325.39233	1.7
333.93738	1.9
376.14746	2.3
383.17041	2.2
386.15503	2.3
401.17813	4.9
419.07260	2.7
419.19235	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01864	5.5
55.05506	5.7
56.05025	3.0
57.03430	7.6
57.07057	7.5
58.06588	27.3
59.04990	9.7
61.02898	4.7
66.53995	2.4
67.05486	7.6
68.99757	5.7
69.03417	31.1
69.07067	14.0
70.06585	3.1
71.04995	5.0
72.08139	9.2
73.02903	5.2
79.05465	5.3
80.00050	2.4
81.03403	26.2
81.07043	7.7
83.04957	8.3
83.08635	3.1
85.02899	49.4
85.06516	6.1
86.09691	3.2
87.00806	16.3
91.03923	2.7
91.05465	9.1
93.07028	7.5
95.04946	10.4
95.08591	33.9
97.02888	17.8
97.06514	6.4
99.04438	8.9
99.08080	11.0
105.01855	11.0
105.06978	3.6
106.02241	2.8
107.04939	8.3
107.08580	10.7
109.02853	21.1
109.06496	5.4
109.10126	13.1
111.04442	3.0
111.08054	6.5
113.09628	12.1
116.98832	2.6
117.01806	3.4
119.04932	8.4
119.08587	8.5
121.02887	3.7
121.06451	3.6
121.10099	5.0
123.04406	9.4
123.08039	32.9
124.03883	3.2
125.05968	3.0
127.03893	38.9
127.11153	6.9
135.04326	2.7
135.08002	3.8
135.11670	14.8
137.05949	5.9
137.09584	5.7
139.03847	4.6
143.08519	2.7
145.04927	13.4
147.02921	2.9
147.04375	5.4
149.02278	2.8
149.09610	3.0
151.03914	4.1
153.12717	100.0
159.02821	12.4
159.08017	6.6
161.09584	5.9
163.03889	3.4
163.11194	4.4
165.09094	4.7
167.07045	8.1
169.04970	10.9
170.05243	3.4
171.05386	4.2
171.13795	16.4
175.03874	2.8
177.12785	4.8
179.03357	3.8
179.10738	6.2
187.11130	3.2
189.12817	4.4
193.12244	3.4
205.12164	6.9
207.13821	3.7
223.13272	9.0
229.04927	4.8
231.04953	4.2
241.14322	3.6
257.04498	7.1
257.07947	2.9
258.05255	7.8
297.07861	2.4
317.13702	7.2
335.14890	7.1
363.14288	6.9
419.18207	4.2
431.73590	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	419.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09447	0.4
55.01868	0.6
64.79348	0.5
69.52213	2.0
69.52634	2.3
71.29935	0.4
83.08636	0.6
98.21407	0.7
99.00813	0.8
99.04449	4.6
111.04430	3.7
125.05101	0.9
125.05974	10.9
141.05412	4.7
150.15871	0.4
153.05449	100.0
154.05797	1.7
227.86073	0.5
293.05634	0.5
332.67126	0.5
353.94482	0.5
419.35175	30.1
420.35748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20531	3.7
57.03426	17.8
60.04501	6.2
65.03928	4.2
67.05501	3.6
69.03426	71.1
70.03756	5.4
70.06576	11.1
71.68208	4.2
71.68665	7.6
72.08149	4.1
79.05461	6.6
81.03427	4.2
83.04977	5.6
85.02891	51.2
86.09671	8.9
87.04471	40.3
91.05472	100.0
92.05862	4.0
95.04948	5.9
97.02888	64.6
99.04443	9.3
105.07042	8.2
107.04969	12.4
109.02895	4.6
112.11259	6.9
115.03916	62.2
119.04916	6.2
123.04428	32.7
125.05936	5.1
131.08585	5.1
133.04965	65.4
135.08086	6.1
136.28458	4.3
139.03886	10.0
145.04987	11.2
145.06421	4.2
147.04395	10.2
147.08070	6.1
150.07607	8.0
151.03864	9.9
159.08029	5.4
163.03922	11.3
165.05489	9.4
174.21231	4.4
177.09149	5.6
197.05995	4.7
199.09674	4.0
215.22958	4.4
221.73233	4.5
223.09587	6.8
224.07660	3.8
240.07761	4.2
241.08766	4.9
258.08865	60.7
268.06580	4.0
275.03741	6.4
334.15515	5.9
374.15698	5.9
376.16614	11.8
392.16751	4.4
420.15601	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	420.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28370	3.1
51.56002	2.8
55.01846	4.1
55.52246	2.7
58.06577	9.4
60.04504	11.2
61.02910	4.9
67.05489	5.2
69.03423	18.4
70.06571	14.0
71.44960	3.7
71.45298	3.7
76.02212	4.6
79.05473	3.9
81.03398	3.9
81.07040	7.4
83.04956	6.3
84.04498	4.9
85.02897	17.8
86.09666	8.6
89.03178	3.1
91.05458	8.6
93.07039	17.7
93.63992	3.9
95.04945	6.3
95.08578	8.9
97.02861	6.9
105.07034	8.4
107.04930	11.6
107.08573	10.4
107.42345	2.9
109.02921	3.8
109.06516	5.8
109.10150	3.9
111.08050	6.7
116.01651	4.7
119.04899	4.8
119.08561	5.8
120.05248	4.6
121.06473	6.4
121.10149	3.9
123.04391	10.3
123.08041	4.2
131.04967	3.7
131.08513	3.2
133.10098	9.1
135.08080	3.2
135.11673	16.7
137.05937	8.3
137.09595	24.0
139.03903	3.2
145.10146	4.6
147.04333	5.2
149.05949	4.7
149.13211	6.5
153.05528	4.0
159.07982	3.8
159.11693	8.9
161.09564	4.9
163.03871	6.1
163.11169	5.5
165.05460	5.3
167.07127	3.5
167.08522	5.4
169.06416	4.8
177.12724	34.9
181.06451	12.4
181.08554	7.5
183.08023	5.1
195.07854	3.5
195.11958	2.8
195.13770	63.9
197.05960	33.4
197.07628	4.5
198.06621	3.9
203.10313	3.4
205.12103	5.4
209.06033	4.4
210.06766	9.6
211.07402	8.0
212.08316	8.8
213.09056	7.6
223.13274	32.2
225.05460	4.0
226.06184	11.4
240.07773	100.0
241.08530	75.3
241.14244	16.2
242.09348	18.7
258.08755	13.0
273.12701	16.6
315.12079	5.7
356.88162	3.6
374.19531	6.3
375.14368	6.1
392.20581	6.4
402.19296	3.4
420.20535	6.4
421.25311	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59374	2.0
55.01862	3.2
55.05501	2.5
55.46481	2.0
67.05476	2.4
69.03418	10.1
69.07049	3.4
70.06579	17.1
71.04970	2.5
71.06918	2.1
71.69625	2.7
72.08133	3.4
76.02229	2.3
79.05465	3.4
81.03397	2.7
81.07030	4.0
83.04974	3.5
84.08118	4.7
85.02886	17.1
85.06454	2.0
85.07590	2.3
86.09693	4.9
91.05465	7.3
93.07032	8.2
95.04939	6.1
95.08590	9.2
97.02862	4.7
97.06509	32.3
98.09628	3.1
105.07020	5.7
107.04931	6.5
107.08564	17.4
109.02789	2.2
109.10133	11.0
112.11265	4.0
119.04953	4.7
119.08554	20.7
121.06477	5.9
121.10103	3.0
123.04421	10.8
123.08031	2.7
127.03876	3.7
131.08574	3.1
133.10126	7.4
135.08067	2.6
137.05981	3.8
137.09595	26.8
139.03917	3.5
139.07510	24.8
147.04402	3.2
151.11142	30.5
153.12679	2.6
161.05858	2.2
161.09630	11.7
163.03864	2.6
165.05472	9.5
165.09026	5.2
177.05388	3.1
177.09001	3.2
177.12804	2.3
179.10648	100.0
181.08389	2.3
197.11702	41.9
205.12305	3.1
213.05495	4.2
223.13254	10.6
227.00948	2.2
236.12746	2.7
241.14330	27.3
258.08847	15.8
274.04758	3.7
291.49442	2.3
299.97116	2.5
301.03741	2.4
317.10281	4.5
353.07916	3.0
374.15778	3.3
387.16516	5.8
402.15619	2.3
420.16467	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	420.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
55.01861	0.6
55.05492	0.6
57.03424	0.7
57.07080	0.4
58.06592	18.0
59.06116	3.8
61.02914	1.1
62.90709	0.4
67.05489	2.1
69.03424	2.1
69.07047	0.6
69.48838	2.1
69.49259	1.5
70.06589	0.6
71.04974	1.1
73.02913	0.6
79.05461	0.7
81.03416	0.8
81.07040	1.2
83.04976	3.5
85.02892	7.0
91.05468	1.4
93.07038	2.4
95.04964	3.1
95.08588	3.5
96.97697	0.4
97.02870	1.8
97.06491	0.7
98.21456	0.7
99.04454	0.5
105.07006	1.7
107.08585	1.3
109.02856	1.2
109.06519	0.5
109.10132	3.0
110.67242	0.4
111.08048	0.4
119.08559	1.5
121.06495	0.7
121.10110	2.2
123.08053	100.0
124.08383	2.1
125.05969	1.1
125.09619	1.5
127.03877	1.4
131.08604	0.5
133.06549	0.4
133.10086	1.9
135.08023	1.0
135.11668	1.7
137.05988	1.3
137.09589	2.5
138.26674	0.3
139.03865	0.6
139.07526	1.0
141.09085	1.1
145.04927	0.6
145.10110	0.9
149.13177	0.7
151.11163	1.6
153.09105	0.8
157.46132	0.4
159.11647	1.0
161.09601	12.8
163.11179	4.1
165.09082	0.8
167.07018	0.9
177.12744	1.2
179.10654	27.5
180.11070	1.0
181.12317	1.0
188.15038	0.5
195.52768	0.4
197.11717	6.2
205.12193	3.2
220.13385	0.5
223.13260	13.0
223.15320	0.9
224.13731	0.8
241.14325	6.5
258.05173	4.4
341.14447	0.4
362.26746	0.5
420.20883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92997	3.8
53.03926	4.5
55.05494	17.0
60.04515	11.3
61.54436	4.1
65.22062	4.2
67.05492	3.6
69.03427	29.3
69.07043	4.2
70.06580	11.7
70.29214	20.7
73.24391	3.8
79.05468	7.3
81.07007	7.7
83.04950	23.2
84.08121	24.4
85.02893	39.7
85.08467	9.7
91.05447	7.3
93.07018	16.6
95.04945	13.1
95.08575	13.8
97.02867	8.0
97.06516	12.9
98.35243	4.1
99.08092	8.0
105.07007	6.3
107.04910	4.5
107.08559	5.7
109.02875	5.0
109.06464	6.0
111.00793	6.4
111.04392	4.8
113.05969	4.5
119.08580	21.8
121.10107	14.7
123.04422	41.8
123.08038	16.8
125.05968	10.3
127.03907	6.6
127.12276	4.8
129.05418	4.8
130.49794	4.3
135.08043	8.7
137.05956	14.6
137.09599	21.2
143.06996	10.2
145.10114	5.2
147.04349	8.4
147.08057	9.6
159.11673	26.1
163.03900	5.2
163.11179	32.7
165.05455	16.7
165.09091	41.0
166.05017	5.1
177.05434	4.9
177.12727	20.4
187.11194	10.4
205.12187	65.5
223.13258	100.0
224.13765	4.4
271.06052	7.4
290.38327	4.5
299.05447	10.9
311.05359	5.5
356.45395	4.5
363.28140	4.5
402.15427	5.5
421.09152	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	420.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	2.7
67.05488	4.9
69.03412	2.7
69.07055	2.5
74.36361	1.3
79.05492	7.8
81.03402	2.5
81.07043	100.0
82.54139	1.0
85.02898	7.0
87.00794	1.9
93.07021	2.6
95.05005	1.0
95.08591	15.5
97.02883	5.1
98.21548	2.0
105.01863	7.2
107.08549	1.1
109.02871	2.5
109.10164	1.2
114.89157	1.0
127.03918	6.2
128.65869	1.1
137.13232	18.6
145.04921	6.1
148.46143	1.1
178.61214	1.4
231.04880	2.6
239.16882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83103	0.6
55.01860	0.8
55.05502	3.2
57.07050	1.7
65.03902	0.5
66.69348	0.5
67.05487	4.4
68.01356	1.3
68.05002	0.8
68.99753	1.1
69.07042	2.1
69.53724	0.6
71.08624	0.6
71.69594	0.7
79.05460	2.1
80.05009	1.1
81.03397	0.8
81.07040	3.3
83.04922	0.9
83.08615	1.1
86.91851	0.6
91.05454	2.2
92.04967	0.7
93.07019	1.6
94.02911	11.0
95.04942	2.3
95.08585	1.8
96.04489	1.1
97.02892	1.4
107.01216	0.7
107.04914	0.9
109.10147	1.4
111.04396	0.8
112.03963	1.2
112.11244	1.2
117.06979	0.8
119.08510	0.6
120.04430	2.1
124.03934	1.4
125.02309	2.9
126.05499	1.1
136.03903	4.7
137.04698	1.6
138.05475	2.5
139.03851	1.0
140.03395	1.6
148.03894	1.4
149.04607	0.6
150.05501	2.3
152.03406	2.2
154.04942	1.3
162.05475	0.8
164.03401	23.4
165.04205	5.6
166.04980	12.1
176.03418	0.7
178.05019	1.0
182.04457	1.9
188.07066	0.9
194.04453	5.5
222.07622	0.6
238.07097	1.8
277.38504	0.6
281.43109	0.6
292.25867	0.6
315.20175	0.6
329.21063	2.3
377.05603	0.6
392.27884	6.1
402.26334	2.4
403.24625	0.9
420.27374	100.0
421.27786	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	421.1488
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01859	1.1
58.51922	0.6
65.03922	2.5
67.05497	0.7
68.99763	1.3
69.03428	1.1
69.88056	1.6
69.88470	2.1
79.05475	2.0
81.03413	1.0
85.02882	3.2
86.09673	1.3
91.05466	98.5
92.05829	1.5
93.07016	1.2
97.02876	0.9
97.46899	0.7
103.05498	1.1
104.53919	0.6
105.07014	100.0
106.07352	1.3
111.00784	3.6
115.05447	2.9
120.08097	0.8
121.10175	1.1
123.04394	2.5
127.03903	8.8
131.08531	2.2
133.06471	21.0
137.05933	0.9
139.03874	3.8
151.03896	2.3
153.01817	1.2
153.95956	0.7
153.97244	0.8
155.03329	4.3
157.06500	1.3
163.03893	1.5
173.06032	0.8
181.05017	1.4
241.08578	3.0
259.09625	72.1
260.10004	1.3
269.08051	0.8
271.09634	1.4
283.09677	1.3
301.10632	1.8
325.10593	1.9
336.01797	0.7
337.10547	1.1
349.10556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.05489	1.9
59.68951	1.6
60.04505	2.8
67.05475	2.8
69.03410	4.5
70.06568	6.1
70.67076	3.7
70.67462	6.3
72.08147	2.9
74.06040	3.1
79.05453	3.1
80.05000	8.7
81.03370	6.9
81.07041	4.3
84.08150	3.0
85.02869	4.2
86.04410	1.9
86.09690	7.5
91.05477	5.4
91.46814	1.9
93.07013	2.4
94.06535	3.4
95.04956	4.7
96.08111	5.3
97.02864	1.9
97.06519	2.9
101.72175	1.9
105.07002	3.2
107.04934	4.5
107.08585	3.0
109.02841	2.8
109.10120	2.1
110.05959	1.9
119.08548	2.4
120.08086	3.2
121.06570	2.1
122.05988	2.9
123.04420	7.8
124.03882	4.8
124.07555	9.1
124.08376	2.3
126.05466	4.7
129.06978	2.7
130.06520	2.3
131.08513	2.7
133.10098	2.3
136.07545	5.1
137.02333	5.4
137.05943	8.0
138.09151	5.1
139.03864	7.9
143.08583	2.2
150.05621	2.3
152.05795	3.9
152.07042	77.1
154.04970	2.9
157.10103	3.5
161.09642	2.4
163.03957	2.1
166.08609	7.1
167.08530	4.7
185.09575	4.7
201.09052	1.9
243.08885	2.1
244.09541	3.7
251.08171	4.0
277.11945	2.5
283.07123	4.3
294.14740	3.5
297.08514	3.5
303.43802	2.1
307.07117	2.3
311.06567	9.4
316.12698	2.0
319.75684	2.0
325.08124	7.9
327.09546	3.1
329.07562	6.2
340.15311	6.6
343.09378	4.2
347.08719	3.1
353.07657	12.8
357.10745	7.0
358.16370	15.3
375.15335	2.6
376.17514	21.8
403.11295	15.5
404.11795	3.4
404.16974	100.0
405.17371	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	421.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.3
55.01853	7.6
55.05504	23.6
57.03428	9.6
57.07073	3.3
61.31822	1.9
67.05494	56.8
69.03404	5.5
69.07060	14.1
70.06600	4.6
71.04964	6.0
71.66566	1.9
71.70275	3.0
77.79800	2.2
78.24787	1.8
79.05025	2.9
79.05477	38.5
81.03423	12.3
81.06610	2.6
81.07047	35.4
83.04961	6.8
83.08608	12.5
85.06508	3.8
88.07585	3.1
91.05470	48.4
92.10668	1.9
93.07035	39.3
95.04958	53.9
95.08015	2.5
95.08593	32.1
97.06497	5.0
97.10147	11.5
103.05399	2.5
105.03332	2.1
105.07015	25.5
107.04936	25.7
107.08559	15.5
108.34240	2.0
109.06517	11.8
109.10152	17.1
111.08080	3.4
115.05450	2.9
117.07001	13.8
119.04981	4.7
119.08559	22.2
121.06488	24.1
121.10128	9.6
123.04424	2.9
123.08044	8.7
125.09597	9.2
128.06165	3.0
129.06998	14.8
131.08585	21.3
133.06467	5.8
133.10109	10.7
135.08067	11.9
137.09584	7.6
141.07011	2.7
142.07726	2.2
143.08536	12.0
145.06456	5.9
145.10081	12.8
147.08011	8.9
147.11635	5.5
149.02324	22.4
149.03447	3.0
149.09618	7.2
149.13223	2.2
155.08533	5.8
155.10506	2.3
157.06442	3.8
157.10165	10.7
159.08002	4.5
159.11656	11.6
161.09592	5.9
163.11165	10.4
167.08521	2.5
169.10117	2.5
171.08060	4.6
171.11639	6.3
173.09581	2.6
173.13225	3.2
175.11195	8.2
177.12703	5.4
181.10083	5.0
183.11601	3.5
185.09610	3.5
185.13231	5.4
187.11177	5.7
189.09070	8.2
189.11168	7.2
189.12761	3.8
193.04936	21.5
193.12180	4.4
197.13345	4.6
199.11125	5.0
201.12764	4.4
203.10730	10.0
203.12447	3.0
203.14345	2.9
205.12225	5.8
212.45859	2.1
213.12685	3.8
215.14319	3.1
219.13953	2.6
223.13133	5.5
231.13681	4.9
234.66112	2.1
235.13258	2.3
249.14868	8.3
256.26364	12.3
263.16428	2.0
269.19156	2.1
301.21500	7.7
311.20065	16.4
319.22510	3.8
325.98483	2.0
329.21082	100.0
330.21378	6.3
347.22107	15.5
367.22818	3.0
377.23795	2.4
385.23636	3.8
403.19809	3.6
403.24734	48.7
403.29596	4.2
404.25031	2.7
421.19931	3.5
421.25729	59.8
421.30432	2.8
422.29138	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	421.3669
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
53.03920	3.0
55.01837	3.1
55.05498	39.2
57.03413	5.4
57.07066	34.7
64.72186	2.7
67.05495	16.7
69.06735	4.3
69.07061	46.9
70.87414	10.0
71.08616	21.8
79.05470	5.9
79.39692	3.4
81.07041	25.4
81.74496	2.7
82.07330	2.9
83.04507	5.1
83.04964	55.4
83.08605	27.2
85.10166	10.3
91.05467	7.8
93.07016	13.8
95.04938	3.3
95.08585	29.5
97.10146	13.3
105.07028	14.3
105.50352	2.8
107.08567	16.0
109.06499	12.9
109.08718	3.5
109.10139	16.8
111.08041	8.7
111.11708	8.2
112.99971	4.2
119.08555	11.7
121.06523	4.0
121.10151	8.5
123.08064	15.6
123.11705	7.7
125.13247	5.9
125.84841	3.3
131.08557	3.6
133.10121	11.3
135.08029	12.3
135.11613	4.6
137.05971	29.5
137.09589	7.4
137.13222	4.7
139.07523	12.1
149.09586	4.2
149.13249	4.2
151.07494	7.1
151.11136	5.4
155.07004	8.0
161.09592	25.5
161.13223	10.9
165.12801	5.4
174.10199	3.7
175.11147	16.7
175.14848	3.1
177.12616	3.0
179.09125	2.9
179.10687	9.6
179.14372	6.0
179.16252	3.6
189.12737	22.5
191.13965	3.0
193.12202	4.4
207.13869	7.5
292.63394	3.1
347.29398	4.7
357.35400	5.7
375.36172	43.5
385.34641	26.8
403.35675	97.9
404.36005	6.7
421.36700	100.0
422.37146	8.1
422.90567	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	421.367
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03913	3.5
55.05511	31.2
57.07065	32.8
63.83202	2.7
64.14092	3.2
67.05485	9.4
69.07058	39.1
69.79656	20.8
71.08628	18.1
72.66245	3.1
79.05492	8.0
79.67307	3.2
81.07042	27.2
83.04974	50.1
83.08604	20.6
85.10176	9.6
87.67739	3.0
88.86500	3.0
91.05450	7.6
93.07016	10.9
95.04961	5.7
95.08598	27.4
97.10163	15.3
105.07005	8.4
107.08587	11.8
109.06495	6.7
109.10150	10.8
111.08096	7.8
111.11742	6.1
112.99987	6.1
119.08549	11.8
121.06438	3.9
121.10167	8.6
123.08049	17.1
123.11710	5.6
125.09602	4.0
130.95508	3.4
133.10123	11.3
135.08049	5.1
135.11690	3.9
137.05951	24.2
137.09526	4.4
139.07513	7.8
147.11688	6.7
151.07509	12.7
151.11079	3.6
155.06949	5.0
157.86090	3.6
161.09605	16.0
161.13243	6.8
165.09135	5.3
165.12662	6.1
175.11205	10.8
175.14818	3.9
177.12694	5.1
179.10762	4.0
181.39185	3.7
189.12730	14.3
193.12210	5.1
300.62979	3.4
375.36179	30.3
385.34653	17.8
403.35693	58.7
404.36053	6.9
405.32651	3.6
421.36749	100.0
422.37061	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	422.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
52.88658	0.6
53.03926	2.4
55.01860	1.2
57.03418	1.5
67.05492	0.8
69.03418	7.6
70.06583	4.6
71.21414	1.1
73.02905	1.1
78.03442	17.8
80.04978	2.9
81.03400	22.3
81.03880	1.3
84.08096	1.2
85.02892	7.6
85.65615	0.6
86.09688	1.8
91.05434	0.9
96.02131	1.6
96.04475	6.9
97.02871	4.9
99.04421	3.6
105.07005	1.3
106.02898	66.2
107.03214	0.9
107.04935	0.7
107.81364	0.7
109.02853	12.5
111.04430	1.0
123.04398	2.5
124.03931	100.0
125.04277	1.3
127.03898	9.2
130.06483	0.8
137.02321	58.6
138.02592	0.8
144.08069	1.8
145.04939	1.0
147.04472	1.2
153.01830	0.7
155.03398	0.8
156.07990	0.7
166.04967	1.1
171.09100	1.0
176.78011	0.6
196.05942	0.7
199.08603	0.9
201.05423	1.6
225.14748	1.2
229.15533	0.9
230.08241	0.6
232.06148	0.9
242.08081	0.9
250.07072	33.0
251.07358	1.4
257.04324	0.8
260.12851	1.1
268.08121	38.3
269.08472	1.4
270.07562	3.2
272.09161	0.9
300.02890	0.8
315.49606	0.6
332.12460	0.7
404.09695	18.9
405.09918	1.3
422.10767	14.2
422.16479	1.1
423.11447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
53.66825	0.4
55.01855	0.8
55.05490	0.6
65.03918	0.7
67.05488	1.7
69.03424	0.5
69.07041	1.8
75.99443	0.5
79.05482	15.1
81.03404	8.2
81.07049	1.0
91.05470	5.8
93.07034	5.3
95.01306	0.5
95.04958	7.3
95.08581	0.5
97.06520	0.7
103.05458	0.7
105.07008	6.3
107.08578	11.5
117.07008	2.1
119.07833	0.5
119.08554	2.8
121.02853	2.9
121.06496	6.7
128.06190	0.8
129.06995	1.5
129.07872	0.4
131.08495	3.2
133.06493	0.6
133.10106	6.1
137.05934	0.5
141.06946	0.8
142.07745	0.8
143.08531	4.3
145.06444	2.7
145.10080	1.8
147.04405	0.9
147.07983	1.2
148.94664	0.4
149.05933	2.5
151.07521	1.1
155.08519	1.1
157.10132	3.5
159.08038	4.4
159.11691	0.8
161.05959	16.9
161.09593	24.4
162.09938	0.8
167.08565	3.6
169.06450	0.6
169.10115	1.5
171.08057	2.3
173.09607	1.0
175.07578	1.0
175.11176	0.5
177.09097	1.4
179.08525	0.8
181.06601	0.6
181.10081	1.6
183.08028	1.1
183.11664	1.3
185.09563	4.7
187.11165	0.8
188.77850	0.5
192.09251	1.2
195.08034	1.1
197.09586	0.7
197.13260	1.4
199.07465	0.6
203.10587	1.1
205.08540	1.0
207.11673	2.7
209.09689	1.0
209.13049	0.5
211.11005	2.4
213.08955	0.8
217.10233	0.7
219.11525	0.5
220.08763	0.6
225.12675	5.2
227.14252	0.8
231.10208	1.2
235.11119	5.2
237.12685	2.1
239.10739	0.7
249.11214	4.0
253.12207	5.7
255.13708	1.5
257.11658	0.5
271.13220	12.4
272.13467	0.7
281.11728	3.9
299.12747	16.0
300.13113	0.6
317.13791	100.0
318.14157	6.0
318.17749	0.7
320.02493	0.6
345.13345	1.8
362.15945	7.2
421.13266	0.5
422.18115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.5
55.05490	4.0
57.64336	3.6
67.05509	5.1
69.03432	4.3
70.06593	19.8
71.04987	4.1
71.68293	6.2
72.71405	4.2
72.80613	3.6
74.55282	3.7
79.05493	7.5
81.03411	5.7
81.07056	11.0
83.04962	8.4
84.04507	4.7
84.08118	5.7
85.02888	11.9
86.09716	7.3
91.05487	13.3
93.07037	17.7
95.04953	14.7
95.08599	8.5
97.02870	4.5
97.06499	21.2
105.07027	22.4
106.02897	5.1
107.04944	14.4
107.08578	16.4
109.06512	12.8
109.10160	8.6
113.06058	4.1
116.07076	3.7
119.08534	25.9
121.06509	10.0
121.10139	12.4
123.04417	37.4
123.08055	6.9
124.03928	13.5
124.04794	5.7
124.07599	4.9
125.09595	7.2
130.04900	4.4
131.08559	10.3
133.10129	8.6
135.04422	8.6
135.08037	75.0
137.02287	8.1
137.09599	11.6
137.83876	4.4
139.03865	10.7
143.08543	4.5
145.02861	6.4
145.10144	8.3
147.04410	10.9
147.08023	5.3
147.11653	33.4
149.09564	22.2
151.03906	6.4
151.07654	4.9
159.11644	5.2
161.09634	5.3
161.13254	18.3
163.03854	13.4
171.11703	5.0
175.03886	6.3
177.05518	6.1
177.12735	23.6
184.70734	4.4
189.12766	17.7
190.06076	4.4
190.09056	5.1
195.13757	8.6
199.03757	6.0
201.05397	7.4
203.03421	4.3
207.13780	58.9
210.99734	4.0
212.09265	4.0
215.99731	4.0
218.33014	3.9
225.14828	100.0
243.15956	11.2
245.04463	13.7
247.04187	10.7
249.11020	4.1
253.09726	10.0
255.11490	4.6
257.04523	5.3
260.09201	17.8
261.03961	6.5
270.07547	13.9
271.05884	3.9
273.03912	21.7
285.08649	13.1
300.05865	4.2
301.03604	4.4
303.09317	4.8
337.08218	4.7
355.09232	45.4
359.12326	6.2
373.10483	5.6
387.11859	11.0
405.05679	3.7
405.07538	5.3
405.12839	50.7
422.17673	6.7
423.07126	22.4
423.13983	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01846	8.9
55.05494	2.9
56.05002	3.0
57.03416	2.7
60.04528	2.1
61.01132	2.9
61.02898	2.3
65.03921	2.0
66.11620	1.6
67.05490	5.5
68.99766	2.8
69.03085	1.7
69.03418	6.3
69.07042	5.9
70.06593	11.0
70.11153	7.1
70.11587	3.1
71.04961	4.5
72.08142	2.3
76.42080	1.7
78.03782	4.3
79.05469	5.6
81.03380	9.5
81.07031	6.5
83.04007	1.5
83.04972	3.9
83.06059	1.7
84.04475	6.5
84.08141	4.7
85.02882	14.1
86.09702	5.6
91.05472	10.0
93.07018	7.3
95.04961	13.9
95.08588	6.2
96.04462	4.5
97.02847	4.3
97.06519	24.6
98.21320	2.2
99.04420	6.9
102.03727	5.4
103.03918	5.1
103.05421	2.8
105.03335	3.0
105.06982	10.8
106.02906	9.7
107.04922	7.1
107.08601	11.0
108.04443	4.2
109.02847	4.0
109.06495	7.2
109.10156	5.1
111.04390	2.4
111.08058	2.7
115.05423	3.2
116.01658	3.6
117.06998	4.6
118.06538	3.2
119.04913	4.8
119.08553	12.3
120.08023	2.4
121.06444	3.0
121.10137	7.0
123.04402	37.4
123.08020	4.6
124.03929	21.4
124.07510	1.8
125.09602	4.2
126.05455	5.0
127.03892	6.1
129.06958	2.1
130.04974	5.6
131.08560	6.6
132.04816	2.8
133.10098	3.6
135.04382	4.6
135.08052	10.3
135.11655	4.5
137.02319	8.3
137.06023	2.9
137.09563	3.4
138.05507	2.3
139.03851	4.2
141.07039	2.1
143.08533	3.4
144.08110	2.7
145.02783	2.1
145.06427	3.5
145.10060	2.6
146.02713	2.8
146.06000	2.9
147.04375	19.7
147.07988	2.3
147.11670	10.3
149.07399	8.1
149.09604	9.4
149.13176	3.2
151.03830	2.3
152.07022	13.6
153.01775	4.1
157.06441	2.7
158.09590	1.8
159.11618	4.3
161.05914	2.2
161.09584	2.2
161.13246	6.3
162.02179	4.4
163.03905	7.7
163.11203	2.2
165.12712	4.5
167.10590	4.1
168.07951	2.0
171.11708	3.4
172.07669	6.0
173.05946	4.2
175.03882	8.7
177.03305	3.6
177.05411	2.3
177.12730	7.5
180.06427	3.2
181.12202	6.9
183.04550	2.7
185.06029	2.5
185.09540	2.3
186.05453	2.3
186.09059	2.5
187.03792	2.2
188.07047	2.3
188.95078	2.1
189.05444	2.9
189.12704	11.0
190.08904	4.4
198.09097	2.5
200.07066	5.1
201.05424	22.2
207.13768	35.5
212.07097	2.7
213.05420	10.6
214.08583	3.1
215.07042	2.3
216.06537	3.0
217.04880	3.9
219.02872	2.9
225.05391	4.9
225.14807	53.4
226.15291	2.4
227.03448	2.5
227.06912	2.5
228.06549	7.8
229.04947	6.5
237.05417	2.1
241.05005	4.8
241.09839	2.2
242.05814	3.6
242.08060	12.8
243.15871	16.2
244.09665	6.2
245.04353	7.7
247.04201	2.8
250.07043	4.0
257.04422	23.6
258.07800	4.7
260.03168	3.3
260.09000	4.7
261.03912	8.0
268.08182	5.2
270.07565	87.8
271.05862	7.1
271.08102	6.4
272.09094	19.8
273.03888	100.0
274.04782	3.9
276.08890	4.6
281.04367	2.6
282.07614	3.0
285.03824	11.3
293.11588	16.2
295.05991	5.2
297.03897	3.5
299.05463	22.7
301.11652	4.5
303.04950	52.6
305.01096	4.0
306.07376	2.5
313.06827	10.9
323.05493	4.4
327.04941	30.4
327.09238	4.0
333.00616	3.0
339.04834	13.3
345.10547	3.9
351.04736	10.0
357.05957	12.1
369.05981	12.3
376.17346	6.4
387.07272	11.6
391.59216	1.9
394.12955	5.8
404.16019	5.7
405.08054	3.4
405.12872	7.7
405.17322	3.5
422.12173	27.0
422.18005	16.3
423.07153	5.3
423.12805	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	423.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
58.99569	3.6
65.50010	2.4
67.05494	4.5
68.99759	2.2
69.03431	4.2
69.07050	12.3
69.73555	10.7
69.73964	4.1
70.06569	3.1
72.63721	2.1
74.97594	32.0
77.70442	2.4
84.08134	2.9
84.96017	7.1
85.02893	6.3
86.97588	5.8
89.03912	3.4
92.98647	4.7
97.02882	5.8
98.21459	2.5
98.97553	4.5
101.04221	19.2
107.04924	3.3
111.04467	2.6
114.97021	4.2
116.98612	4.2
120.71382	2.3
123.04402	11.2
127.02045	3.5
127.03910	6.2
128.98553	2.4
129.02232	11.0
132.98042	17.8
134.99660	4.8
135.04401	5.5
139.03894	12.6
140.07025	5.5
143.00146	8.5
146.99617	3.6
147.03259	47.0
147.04366	3.9
150.99118	83.0
151.00302	5.1
151.03909	2.7
158.99574	3.3
161.01216	10.6
163.02776	4.5
163.03909	15.6
165.04361	21.8
169.00185	45.5
170.06339	2.8
172.04227	52.0
174.00702	5.4
177.00661	2.6
177.04309	3.1
185.01219	4.6
190.98686	5.9
191.02240	6.2
192.29327	2.4
205.03712	13.1
208.99629	30.6
209.03188	3.9
214.05147	3.2
217.07326	5.2
219.01833	2.5
223.04797	4.8
227.00627	5.5
231.01740	6.5
237.02782	6.1
244.06412	3.7
245.04480	3.1
249.02753	60.1
261.04019	3.6
261.09088	11.1
263.04404	3.8
267.03766	25.8
267.06061	2.6
271.05731	2.7
272.04340	5.4
273.03885	5.4
279.03668	2.4
285.04208	2.3
289.05740	3.7
301.03601	2.5
303.07428	5.6
307.03226	30.3
307.06607	2.7
325.04355	6.5
347.06552	7.2
365.07550	6.0
377.13754	4.4
386.31174	2.1
423.07190	11.9
423.14124	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	423.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69510	1.4
52.78124	1.3
55.01857	3.4
58.99570	1.7
61.01141	9.1
61.01404	1.9
63.94978	1.3
67.05479	2.3
68.99784	1.9
69.03396	2.4
70.06577	6.4
71.04938	1.4
71.69634	2.6
72.04497	13.2
73.02903	2.4
78.03773	20.7
83.04956	3.3
84.08080	2.2
85.02895	12.4
85.06536	1.4
86.06046	4.2
86.09676	3.4
86.99033	1.9
88.02187	6.6
95.04961	3.7
97.06538	1.9
98.02384	1.6
98.06018	2.2
98.67416	1.6
99.04446	8.0
99.05555	5.5
100.02170	3.8
100.39060	1.7
100.81277	1.5
102.03744	28.2
103.02152	2.8
103.03928	16.6
107.04928	5.0
109.02869	5.3
111.04408	1.5
113.05989	2.1
114.03725	5.2
114.05473	1.8
119.04937	2.1
120.04764	6.8
120.08064	2.2
121.02872	1.9
123.04420	12.0
123.94821	1.5
124.07555	1.9
126.05504	23.7
127.03903	9.0
131.06351	12.1
132.04756	16.6
135.04419	2.1
136.07516	2.5
139.03889	4.2
142.08580	6.2
145.05005	1.7
146.02676	7.0
147.04445	7.3
147.05539	1.6
149.06236	3.2
149.07419	59.3
152.07004	3.5
154.08611	2.8
156.06650	1.7
159.05852	3.5
163.03883	5.6
175.05363	2.3
177.40480	1.7
180.06534	15.0
181.62964	1.5
184.09721	2.0
189.05548	2.1
198.07587	5.5
216.08632	2.1
225.10217	2.6
231.11575	5.6
239.08034	1.9
240.08763	1.5
242.07903	2.2
244.09776	1.6
245.04402	3.5
253.09671	2.3
260.09082	2.7
261.12643	4.7
271.02451	1.7
273.03864	10.3
273.08868	1.6
275.10532	2.5
278.10419	2.2
281.09113	1.6
285.96075	1.7
287.05496	2.9
293.11588	100.0
294.11768	2.6
299.10339	7.3
303.04779	2.5
327.05762	2.1
327.09708	10.5
345.10733	12.6
363.10355	1.7
387.11777	7.0
405.12564	17.4
405.16870	33.0
423.06900	3.5
423.13330	14.1
431.22400	2.2
443.36688	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01858	1.5
55.05505	12.7
55.66736	0.7
57.03423	3.4
57.07065	2.7
59.04988	3.7
65.03923	3.0
67.05495	100.0
68.05827	1.4
69.03418	1.4
69.07056	11.3
71.04977	4.5
71.42982	1.5
71.94146	0.7
73.02915	0.7
79.05021	1.4
79.05482	20.8
81.03391	1.2
81.07044	49.3
82.07407	0.9
82.64815	0.9
83.04984	2.7
83.08606	10.6
85.06531	4.0
91.05463	17.1
93.07033	26.1
94.07373	0.9
95.04955	5.1
95.08585	13.3
96.08894	0.9
97.06512	5.3
97.10228	0.8
98.21015	0.7
99.08079	1.1
105.07009	5.9
107.04953	2.6
107.08578	14.7
109.06515	2.3
109.10143	58.5
110.10464	1.3
111.08087	5.6
117.07024	3.7
119.08571	6.6
121.06497	0.9
121.10134	7.1
123.08048	1.4
123.11707	2.0
125.09575	0.8
131.08554	4.6
133.10091	6.8
135.11653	5.0
135.77513	0.7
137.09642	2.7
139.11160	1.2
142.53973	0.7
144.09326	0.8
145.10088	0.8
147.11745	0.7
149.09576	1.1
149.13237	14.1
151.11174	1.0
155.10614	3.4
157.10098	0.8
159.11681	6.3
167.14337	1.1
173.11717	18.5
177.12737	2.4
183.30058	0.7
195.13802	8.4
196.13937	1.1
213.14868	1.2
224.36639	0.6
303.23318	0.7
317.28741	1.5
331.26254	0.9
423.27316	41.0
423.32352	3.0
424.27728	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	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71807	0.7
53.03941	1.7
55.01870	1.5
55.05497	11.3
57.03432	3.4
57.07053	1.0
59.04999	3.6
59.26870	0.7
60.10656	0.7
65.03940	2.4
66.85005	0.6
67.05494	100.0
68.05843	1.0
69.03421	1.1
69.07059	12.4
70.21579	0.6
70.27523	3.7
71.04976	4.6
79.05022	1.3
79.05482	20.1
81.03417	2.0
81.07042	46.6
83.04977	2.4
83.08600	10.8
85.06541	3.5
88.53065	0.7
91.05459	16.1
93.07026	28.0
93.61733	0.7
95.04961	3.2
95.08591	13.8
97.06495	4.5
97.10145	1.0
99.08084	1.7
104.04022	0.7
105.07008	3.8
107.04948	0.9
107.08579	13.3
107.09243	0.6
109.06508	1.6
109.10135	58.4
110.10432	0.8
111.08049	6.2
117.06982	3.4
119.08573	6.1
121.06560	1.0
121.10118	8.1
123.11712	1.5
125.07596	0.7
125.09614	1.4
131.08530	4.2
133.10078	5.3
133.14943	0.7
135.08000	0.8
135.11673	4.4
137.09604	2.7
139.11172	0.9
147.11699	1.4
149.13226	14.2
155.10652	3.0
159.11647	6.3
173.11710	19.2
177.12727	2.9
193.07947	0.8
195.13742	6.8
301.18896	0.8
331.22742	0.9
423.27310	39.9
424.27271	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	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00476	0.7
52.04718	0.7
53.03943	1.1
53.59335	0.8
55.01847	1.3
55.05501	10.2
55.55386	0.7
57.03428	2.6
57.07067	6.2
58.06586	1.3
58.07419	0.9
59.04993	3.0
65.03927	5.4
67.05491	82.3
68.05836	1.5
69.07053	8.1
69.70343	4.0
69.70744	1.6
69.97649	0.7
70.06575	12.2
71.04987	3.5
71.06908	1.6
71.08635	2.5
76.15820	0.7
79.05470	16.1
80.50961	0.6
81.07039	36.5
82.07404	0.7
83.04993	2.9
83.08606	9.1
85.06527	3.6
88.07607	14.0
88.08083	0.8
89.07927	3.8
91.05460	11.4
92.00082	0.8
93.07024	21.6
93.07585	1.3
95.04990	3.0
95.08581	10.6
97.06513	4.7
102.09167	11.0
102.23349	0.8
103.09527	2.7
105.07027	2.6
107.08572	13.1
109.06500	1.2
109.10133	45.4
110.10500	1.2
111.08038	4.2
117.07047	3.3
118.20465	0.7
119.08566	3.7
121.02856	1.1
121.06487	0.8
121.10123	6.2
123.11752	0.8
125.09642	0.8
131.08549	3.7
133.10109	3.5
135.08061	1.3
135.11656	4.0
137.09631	2.3
139.03964	1.6
149.02315	53.4
149.13232	13.2
150.02646	26.0
155.10709	2.6
159.11667	6.7
173.11708	15.1
173.13068	1.2
177.12798	2.8
177.95552	0.8
193.04930	53.4
194.05270	36.0
195.05635	0.9
195.13846	5.3
211.73550	0.6
253.19524	1.0
256.26312	13.5
257.26663	28.4
342.34161	0.8
343.54462	0.9
357.10605	0.8
423.29251	100.0
424.29422	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59610	0.7
53.03938	1.9
55.01851	1.6
55.05507	14.0
57.03421	3.5
57.07069	2.4
59.05011	3.7
65.03939	3.1
65.24900	0.6
67.05498	100.0
68.05836	1.5
69.03399	0.8
69.07063	10.9
69.49242	3.1
69.49668	3.0
71.05000	4.5
71.05320	0.7
73.02934	0.7
79.05487	20.2
81.03416	1.6
81.07048	46.1
83.04983	2.7
83.08607	10.5
85.06544	4.2
91.05464	16.1
91.83401	0.7
93.07030	25.6
94.07347	0.9
95.04954	3.2
95.08591	12.7
97.06516	3.9
97.10146	0.9
98.20761	1.7
98.21413	1.3
99.08094	1.3
105.07008	4.0
105.28097	0.8
107.04935	0.8
107.08583	15.4
109.06491	2.2
109.10143	55.9
110.10460	1.1
111.08080	4.3
117.07012	4.4
119.08559	5.8
121.06477	0.7
121.10121	6.9
123.08079	1.5
123.11711	2.4
131.08533	4.8
133.10120	6.8
135.08078	1.5
135.11678	4.4
137.09604	2.9
145.10095	0.9
147.11652	1.0
149.13239	15.0
155.10669	4.0
159.11673	7.1
173.11725	20.3
177.12727	3.4
179.14259	2.3
195.13785	9.4
199.95389	0.6
199.97038	0.6
213.14673	0.8
228.87944	0.7
331.26135	1.8
417.65613	0.7
423.27231	46.6
424.27682	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.01856	0.9
55.05500	6.6
57.03431	3.0
57.07065	5.2
63.37316	0.6
66.75043	0.6
67.05492	14.5
69.07060	8.4
70.59723	1.5
70.60122	1.0
71.04974	1.5
71.08601	3.9
76.89177	0.6
79.05476	6.4
81.07046	16.0
83.08603	3.2
85.06511	3.2
91.05456	4.9
93.07034	10.0
93.07597	1.0
95.04949	1.4
95.08588	11.0
97.06525	1.9
97.10145	1.0
99.08097	1.5
105.07020	6.8
107.08582	8.3
109.06493	16.6
109.10150	7.2
111.08069	1.9
117.07029	1.0
119.08566	6.4
121.06528	1.3
121.10104	5.0
122.07290	1.8
123.08050	38.9
123.11709	2.0
124.08392	0.8
130.69170	0.6
131.08536	2.7
133.10112	4.3
135.08035	9.1
135.11667	2.1
137.09598	2.6
139.11206	0.7
145.10124	3.6
147.11671	2.2
149.09616	2.3
149.13266	2.6
151.11154	0.8
157.10162	0.8
159.11687	2.7
161.09615	0.9
161.13248	1.4
163.14781	0.9
165.12740	1.1
167.14296	1.4
173.11760	1.6
177.12711	3.2
179.14284	67.6
180.14684	1.9
191.14343	1.5
193.15819	3.1
205.15866	2.1
213.14735	0.7
233.19008	1.1
263.20151	1.3
275.20059	2.1
281.46875	0.6
293.21124	2.1
294.58463	0.6
303.26770	3.1
313.25275	0.7
331.26254	33.2
332.26666	1.7
349.27347	9.0
367.24887	1.2
405.30276	1.4
423.31046	100.0
424.31537	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66198	1.4
53.36172	1.6
55.05491	6.7
57.07063	5.4
65.66540	1.6
67.05494	13.7
69.07056	8.7
69.45464	4.7
69.45882	11.1
71.08603	4.5
74.17225	1.5
74.44541	1.4
79.05462	4.0
81.07040	13.2
83.08607	3.3
85.06507	2.5
91.05474	5.0
93.07047	11.0
95.04945	1.8
95.08088	1.5
95.08582	9.6
97.06519	1.9
99.08087	3.2
105.07024	6.4
107.08577	7.0
109.06509	21.2
109.10139	6.6
111.08044	2.0
112.99973	1.5
119.08555	6.2
121.10123	5.3
123.08046	30.8
123.11668	1.5
131.08601	3.2
133.10144	5.1
135.08044	7.6
135.11644	1.6
147.11665	3.0
149.13228	2.5
159.11755	1.6
167.14284	2.1
173.11749	1.8
177.12790	1.4
179.14290	94.7
180.14526	2.2
193.15907	3.1
205.15926	4.6
303.26654	2.9
331.26279	34.8
331.29932	2.7
349.27319	7.5
399.56000	1.5
405.30167	2.5
423.31036	100.0
424.31461	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85271	1.0
55.01857	6.9
55.05498	3.8
57.03444	1.1
67.05494	25.1
69.03397	1.2
69.07063	1.1
69.93602	5.8
71.04962	3.2
79.05463	2.1
81.07040	15.4
83.01336	0.9
84.18821	1.0
86.09682	1.1
91.05453	3.2
93.07016	3.5
95.04955	5.8
95.08573	10.7
98.20757	2.0
99.04462	1.4
99.08005	1.4
106.85449	0.9
107.08558	3.5
107.28234	1.0
109.06467	2.1
109.10135	59.8
110.10429	2.2
111.00783	5.2
111.04449	1.5
117.70061	0.9
119.08559	5.0
121.10106	1.4
125.05952	2.2
129.01793	2.2
133.00554	0.9
137.09586	100.0
138.09952	1.7
143.03352	1.9
147.07953	1.9
155.10660	6.9
161.36726	1.0
165.09085	58.3
166.09450	1.5
171.02818	8.3
183.10103	6.0
189.03957	2.2
201.11191	11.0
301.55341	1.0
353.12238	23.7
353.16281	1.9
354.12393	2.6
363.12323	1.1
371.13306	51.5
372.13535	2.6
389.14395	10.3
407.11569	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18403	1.6
51.77307	1.4
53.67013	1.5
58.73169	1.5
69.45345	16.2
82.99847	2.2
89.50463	1.5
97.02840	1.6
101.00854	18.0
109.02901	1.9
109.60151	1.5
113.00883	4.5
119.01908	43.1
127.02396	3.1
131.01866	12.6
137.02956	3.5
139.02296	2.1
143.00777	2.2
143.01883	34.0
145.03467	13.1
147.01376	2.2
149.02966	2.5
155.01860	16.5
157.03418	8.1
161.02936	70.7
162.03024	1.7
167.01930	8.7
169.03462	5.0
171.05017	1.9
173.02928	23.2
174.15073	1.9
175.04530	4.3
179.01834	5.9
184.04446	2.4
185.02928	42.4
186.03072	3.0
187.04477	5.2
191.03992	5.3
197.02950	17.8
203.03979	17.1
211.01862	1.6
215.03865	8.8
221.05048	1.8
224.91933	1.6
227.03967	9.2
245.05037	100.0
246.05269	5.7
257.04996	6.5
263.06119	26.6
264.06223	2.0
275.06079	11.6
286.07587	1.5
293.06979	4.2
305.07227	8.1
335.07996	2.3
338.00012	1.7
365.09286	4.7
425.11307	2.9
429.83884	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	425.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06648	2.2
53.03935	4.0
55.01843	3.2
55.05505	9.4
57.03414	3.4
63.06258	1.9
67.05495	21.1
69.03426	10.4
69.07057	13.8
69.77515	15.0
70.06583	4.2
71.04967	2.5
79.05476	12.2
81.07048	29.4
81.70698	1.9
83.04961	18.6
83.08609	4.3
85.02886	2.2
85.06540	4.9
91.03986	1.8
91.05484	13.9
93.07029	23.1
95.04953	4.7
95.08595	24.0
97.06541	10.0
99.08105	2.9
105.07016	19.3
107.08578	16.9
109.02877	2.1
109.06522	4.8
109.10156	18.4
111.08086	2.9
115.07566	7.8
117.07027	4.0
119.08550	13.5
121.06469	4.5
121.10129	14.2
123.11716	3.4
125.06026	1.9
127.07561	2.8
128.06233	2.7
129.07002	7.4
131.08562	12.1
133.10117	12.0
135.08099	2.6
135.11694	6.1
135.13179	2.1
137.09581	4.9
142.07780	4.1
143.08548	11.4
145.10094	21.4
147.11671	21.0
149.09589	2.9
149.13211	2.7
155.08549	4.7
157.10103	16.8
159.11694	20.8
160.12006	2.6
161.13234	3.9
163.11157	2.2
165.09116	8.7
169.10124	3.7
169.12224	3.1
171.10258	3.2
171.11690	18.1
173.11897	2.9
173.13292	8.1
175.11180	3.4
177.12720	2.1
181.38179	1.9
183.11691	6.3
185.13216	5.2
193.12282	2.4
195.11714	4.1
197.13301	6.0
199.14748	3.4
207.13834	2.2
209.13229	3.4
211.14781	5.5
213.16344	3.7
215.18079	2.3
223.14937	4.2
224.15631	2.3
225.16447	5.3
251.17996	3.4
253.19490	100.0
254.19812	4.9
255.21097	2.3
263.17780	2.3
271.20538	15.5
279.21274	2.3
281.22665	4.6
305.49408	2.0
333.13422	2.4
351.97141	1.9
381.27713	4.2
389.26791	3.4
407.29834	9.4
425.17993	4.2
425.30511	13.2
435.02371	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	426.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
68.99787	5.0
69.03400	2.4
70.06589	10.3
71.69455	1.1
71.69923	1.8
77.03905	1.1
79.05459	1.3
81.03394	1.6
81.07039	2.0
84.08141	1.3
85.02876	4.9
85.06505	1.5
91.05459	1.4
95.04938	2.3
96.08127	2.6
97.02875	2.5
105.03380	1.5
107.04906	1.5
111.00797	3.3
119.04888	1.4
123.04408	97.3
124.04708	1.3
124.07567	33.4
127.03897	1.4
131.08606	1.2
135.04393	3.9
136.07516	1.5
139.03874	11.7
142.08630	11.7
147.04402	5.5
150.07712	3.4
159.04300	1.3
160.07501	1.1
161.05968	1.8
163.03906	8.3
165.05461	2.5
167.03384	6.6
173.05934	1.7
175.03862	1.7
177.05464	2.6
179.03389	8.9
187.03833	1.2
189.05437	2.6
191.03349	21.3
193.05037	1.3
201.05466	6.3
201.11118	1.1
203.03366	7.2
205.04939	1.8
213.05461	1.3
215.03439	2.3
218.08015	1.1
227.53592	1.2
229.04999	6.6
233.04399	6.9
236.12738	1.3
241.05061	1.1
245.04387	4.3
246.11252	15.5
247.05978	2.4
251.02762	0.9
251.05444	3.1
257.04401	17.8
258.05133	1.8
259.05847	2.5
264.12274	100.0
265.12524	2.7
269.04370	2.1
275.05450	24.5
283.05981	1.6
287.05411	16.0
317.13632	1.2
363.14542	1.7
391.07907	1.8
408.08029	2.2
409.04184	1.8
409.09103	19.3
426.08975	2.0
426.16937	2.2
426.21347	4.0
427.09753	1.6
427.19061	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	427.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34361	1.1
55.01863	6.0
56.96551	3.4
59.59518	0.9
65.03930	1.7
67.05489	1.9
68.99770	7.6
69.03431	1.8
69.07034	1.2
70.06573	8.9
71.69509	0.9
71.69903	2.0
73.02895	1.2
79.01839	1.5
79.05461	1.9
81.03387	3.3
81.07015	1.1
83.93919	1.1
84.08119	1.7
85.02899	2.9
86.09689	3.3
91.05465	3.5
93.03432	1.0
95.04931	3.8
97.02858	3.4
97.06516	1.3
98.97542	2.2
103.05445	2.0
105.03373	1.4
105.07037	1.8
107.04942	4.6
107.08620	1.0
109.02838	3.7
111.00777	3.7
111.04410	1.8
115.05412	4.9
116.07059	1.2
116.98607	2.3
117.07050	1.3
119.04909	3.8
121.02822	4.2
123.04404	41.0
125.02345	2.1
127.03904	3.4
128.06247	1.8
129.06998	2.0
131.04901	1.6
131.95558	1.0
133.02794	1.6
133.06482	1.6
135.04366	11.4
137.02296	3.5
137.05977	1.8
137.09752	1.0
139.03876	48.3
139.05452	1.9
141.06978	3.2
141.38986	1.0
143.04858	2.9
145.04875	1.2
145.06433	3.3
146.06012	1.1
147.04379	10.8
151.03862	5.4
153.01772	1.6
153.05440	5.3
153.06853	1.5
155.04898	2.2
157.01776	1.0
157.06461	4.5
159.04367	5.1
161.05949	36.9
163.03882	100.0
164.04193	2.0
165.05449	4.4
167.03406	10.0
167.04738	1.8
169.06508	3.4
171.04401	3.6
173.05951	4.3
175.03889	7.6
177.05461	4.8
179.03383	21.8
181.06406	2.1
183.04305	2.9
185.05974	6.6
187.03877	5.5
187.07491	1.6
189.05411	8.1
191.03360	29.4
193.05034	4.7
194.97359	1.2
197.05978	7.8
199.03897	1.9
201.05420	15.5
203.03358	15.0
203.06911	1.6
205.04996	5.3
209.06038	1.4
211.03984	1.2
211.06369	1.9
213.05428	10.6
215.03316	3.0
215.06953	1.8
215.42693	1.2
217.04945	4.3
221.04543	1.2
223.06386	7.8
225.05457	6.2
227.07082	1.3
229.04927	35.3
229.07199	2.2
230.05362	2.2
231.06470	4.5
233.04405	9.4
237.02843	2.2
237.05324	2.3
238.95943	1.3
241.04919	10.8
241.07426	2.8
242.98894	1.1
243.06467	8.5
245.04382	8.8
247.05981	26.7
248.06232	1.3
251.05431	4.3
253.04947	2.1
253.97383	1.2
255.06430	6.0
257.04422	34.1
258.05099	3.4
259.05975	58.3
265.07440	3.2
269.04361	5.9
271.05939	11.8
273.07867	2.6
275.05463	36.4
283.05936	5.4
283.08624	3.7
284.89633	1.1
285.07501	1.2
287.05447	32.2
288.05966	1.3
289.07025	56.3
297.07422	1.5
299.05444	3.5
301.06998	8.4
341.10007	1.9
344.99969	2.8
367.10980	7.7
391.07706	5.0
409.09122	58.5
410.09497	2.6
427.12933	17.2
427.19214	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1016
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
51.02372	0.7
53.03930	0.9
55.01859	3.9
65.03922	1.3
67.01858	0.8
67.05481	0.9
68.99779	7.9
69.03438	0.7
70.06573	0.6
70.15085	2.8
77.03933	0.7
79.05489	1.2
81.03413	0.7
89.03893	0.5
89.65800	0.5
91.05452	1.4
93.03386	1.2
95.04938	1.6
98.20699	0.6
103.05471	0.8
105.03358	1.7
105.24226	0.5
105.72691	0.5
107.04933	1.8
109.02871	1.2
111.00794	3.3
111.04427	3.3
117.07069	0.7
119.04914	2.5
121.02843	3.2
123.04408	55.6
124.04758	0.6
127.03900	2.4
129.06993	0.7
131.04887	1.6
135.04390	14.3
137.02299	1.8
137.05934	2.4
139.03876	100.0
140.04205	1.0
141.06970	0.5
145.02812	0.7
145.06471	1.3
147.04379	5.3
147.11580	0.6
149.02347	1.8
149.05934	1.7
150.07726	2.0
151.03862	6.4
153.01799	0.8
153.06972	1.3
155.04832	0.7
157.06467	0.8
159.04451	1.4
161.05983	2.5
163.03876	20.3
165.05463	5.3
167.03375	13.9
173.05969	2.2
175.03877	6.8
177.01727	0.5
177.05434	5.4
179.03360	9.8
181.05005	1.0
181.06485	2.0
185.05933	1.9
187.03862	4.2
189.05458	4.4
191.01579	1.4
191.03346	28.2
192.03682	0.8
193.04935	8.8
197.05956	1.3
199.03845	0.6
201.05466	9.2
203.03366	19.7
203.07117	1.0
205.04948	4.7
209.05858	0.7
213.05399	3.3
215.03397	2.4
215.06880	0.8
217.04913	3.2
219.06503	0.6
227.07053	0.6
229.04924	13.8
230.05650	0.8
231.06482	1.8
233.04395	14.8
237.05429	1.2
241.04956	2.2
245.04430	10.9
247.05984	16.1
248.06145	0.6
251.05463	5.1
253.05025	0.9
255.06436	4.7
257.04416	22.2
258.05161	2.5
259.05988	7.5
265.04932	1.0
269.01666	0.7
269.04367	4.4
271.06064	4.9
275.05457	38.5
276.05765	1.0
283.05988	15.5
287.05450	59.9
288.05676	2.5
289.06372	0.7
299.05591	4.1
299.08701	0.9
301.06998	13.5
323.09042	0.5
379.08203	0.8
391.08072	0.7
409.09113	22.1
410.09375	1.1
427.10147	1.8
427.19449	2.2
434.38730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1016
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.03937	0.6
55.01856	4.0
57.64052	0.5
65.03931	1.3
67.05487	1.5
68.99771	5.6
70.95653	0.7
70.96012	1.5
77.03903	1.0
79.05455	0.8
81.03384	0.7
81.07073	0.6
83.04970	0.6
91.05465	1.6
93.03395	0.7
95.04945	2.6
105.03384	1.5
107.04930	2.2
107.11292	0.5
109.02840	1.2
111.00770	2.6
111.04406	4.2
117.97805	0.6
119.04917	1.2
121.02839	2.3
123.04408	51.6
124.03850	0.5
124.04760	1.0
127.03908	2.3
130.97643	0.7
131.04860	0.9
133.02798	0.9
135.04393	13.9
136.04712	0.5
137.02339	1.3
137.05942	2.1
139.03874	100.0
139.64305	0.5
140.04243	1.2
141.06932	0.5
145.02850	0.6
145.06564	1.1
147.04376	3.9
149.02362	1.6
149.05962	1.8
150.07727	10.8
151.03900	5.3
153.01804	1.4
153.06952	1.6
157.06470	0.6
159.04390	1.5
161.02298	1.0
161.05965	1.5
163.03873	18.2
165.01842	0.9
165.05458	4.0
167.03381	12.0
168.03757	0.7
169.06444	0.8
173.05933	1.5
175.03882	7.8
177.05428	5.5
179.03343	9.5
181.04964	1.1
181.06435	1.8
185.05963	2.3
187.03909	3.6
189.05417	4.0
191.03354	25.3
193.04950	10.2
197.06001	1.0
201.05428	8.4
203.03363	19.7
204.03709	0.7
205.04980	4.1
209.05936	1.1
213.05431	3.9
215.03372	1.7
215.06923	1.0
217.04951	2.9
227.06956	1.0
229.04913	10.6
229.07170	0.6
230.05582	1.0
231.06512	1.8
233.04405	10.4
237.05389	1.1
241.05035	3.0
243.06616	0.7
245.04431	11.0
247.06010	13.7
251.05493	4.3
253.05013	0.7
255.06442	4.8
257.04404	19.9
258.05002	1.8
259.06033	6.6
265.04681	0.6
269.04404	2.6
271.05878	3.0
275.05444	32.7
276.05908	0.7
283.05984	15.7
284.06119	0.8
287.05441	58.9
288.05859	2.1
288.10687	0.6
295.02179	0.6
295.11334	2.2
299.05484	5.5
301.07004	13.8
379.08310	1.0
383.10913	0.7
391.07684	0.6
409.09073	20.8
410.09583	1.1
414.78003	0.6
427.10153	0.9
427.19339	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	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06662	0.3
55.01857	1.0
55.05497	0.5
57.04546	0.6
67.01835	0.4
67.05479	0.5
68.99785	2.1
69.03406	0.6
70.06573	1.4
71.01317	0.5
71.61130	0.7
82.06608	0.4
85.02882	1.1
86.09666	0.6
91.05439	0.5
94.04020	1.2
95.04980	0.5
97.02900	0.4
105.03365	0.5
105.07003	0.5
107.04929	0.4
109.02844	0.6
111.00789	1.3
111.04430	1.0
111.14859	0.3
119.04907	1.0
121.02856	0.8
123.04411	18.5
123.06702	0.7
124.04750	2.0
124.07573	1.5
125.07889	0.6
127.03901	1.2
133.02829	0.5
133.05042	0.4
135.04404	3.8
135.05338	0.5
137.02313	0.6
137.06021	0.8
139.03882	26.4
140.04198	0.6
145.06555	0.4
147.04422	2.2
148.06163	0.7
149.02281	0.5
150.07729	100.0
151.03876	1.2
151.08025	1.2
159.04399	0.4
161.05991	1.1
163.03882	6.6
164.04277	0.4
165.05522	1.7
166.97118	0.3
167.03369	4.9
173.05923	1.0
175.03893	1.9
177.05481	1.9
177.06877	0.4
179.03346	3.8
181.06371	0.6
183.04520	0.5
185.05907	0.6
187.03886	1.3
189.05481	2.4
191.03368	11.0
192.03772	0.4
193.04950	2.3
201.05446	3.0
203.03378	6.6
205.04956	1.6
213.05397	1.0
215.03424	0.7
217.04977	1.1
229.04912	5.8
231.06635	0.7
233.04388	5.0
241.04893	1.0
245.04428	2.9
246.11185	0.6
247.05997	4.0
251.05568	1.6
255.06496	1.3
257.04398	10.1
257.06918	0.7
258.05130	0.6
259.06006	1.6
264.12201	2.1
265.12631	5.5
268.19354	0.4
269.04422	1.6
271.06018	1.4
271.11371	0.4
275.05457	14.3
276.05841	0.7
282.11929	0.5
283.05893	4.1
287.05469	16.6
288.05850	1.6
289.06915	1.1
295.11465	22.1
296.11792	0.5
299.05475	0.9
301.06985	3.4
391.08203	0.5
409.09149	10.2
410.09653	0.5
427.09738	1.3
427.19293	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63469	0.4
52.69391	0.4
53.64960	0.4
56.05027	14.1
62.23001	0.4
67.05511	1.0
69.07076	0.4
70.33662	1.3
70.34071	1.0
79.05473	3.0
81.03419	1.9
81.07029	0.6
83.06091	100.0
84.04479	0.6
84.06415	1.2
91.05494	0.9
92.08329	0.4
93.07034	0.9
95.04960	1.1
105.07022	1.3
107.08595	2.5
117.07027	0.6
121.06512	1.2
131.08585	0.9
133.10123	1.1
143.08510	0.7
145.06432	0.7
147.11714	0.4
149.05942	0.7
157.10162	0.7
158.74048	0.4
159.08112	0.8
161.05948	3.3
161.09593	4.8
161.10852	0.5
167.08549	0.9
169.10144	0.7
171.08064	0.7
173.09604	0.5
175.07597	0.4
181.10170	0.5
183.11758	0.5
185.09599	0.8
197.13307	0.4
203.10652	0.5
206.47198	0.4
211.11197	0.6
225.12790	1.5
235.11227	1.3
237.12842	0.6
249.11293	0.6
253.12341	1.0
271.13254	2.3
281.11795	1.2
285.18640	0.5
299.12759	2.7
317.13794	13.4
318.14157	0.7
367.11572	4.8
424.41882	0.5
427.13489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2835
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.03935	2.6
55.01861	16.4
55.05499	16.4
57.07046	2.1
59.04977	5.4
65.03947	2.2
67.05495	19.7
67.54651	1.7
69.03414	14.1
69.07044	3.6
70.06582	5.2
70.94936	2.4
70.95263	4.4
74.09719	2.5
75.31257	1.9
79.05489	14.1
81.03389	7.0
81.07040	39.0
81.50441	1.9
83.01305	4.2
83.04948	11.1
83.08610	5.9
84.08163	2.5
85.02873	3.1
85.06524	11.6
86.09669	2.6
91.05465	21.6
93.07036	26.4
95.04945	28.4
95.08596	17.2
97.02861	7.0
97.06517	7.0
100.11241	2.9
101.05995	13.2
103.05458	2.9
103.38647	2.0
105.07010	25.6
107.04940	4.0
107.08593	13.3
109.06504	13.7
109.10125	6.9
111.08074	4.7
117.06973	11.1
119.08553	16.7
121.06494	4.7
121.10105	9.2
123.04359	3.3
123.08063	3.1
125.05948	4.5
127.03883	3.4
127.07542	2.3
129.06975	11.3
131.08536	26.5
133.10103	24.3
135.08009	5.9
135.11626	3.9
137.05992	2.6
137.09578	5.8
139.07521	100.0
139.11127	2.6
141.09137	2.9
142.07730	7.9
143.08505	24.3
145.10101	34.4
147.04401	3.1
147.11642	10.9
149.09523	4.4
151.11140	3.6
153.09050	5.0
155.08519	8.3
156.09357	4.3
156.13811	4.7
157.10104	55.8
159.11665	13.6
161.09596	2.8
161.13225	3.0
163.07545	6.4
163.11154	3.9
165.09152	3.3
167.08533	3.5
167.10661	5.4
169.10130	9.9
171.11656	34.2
173.13242	3.8
175.11116	5.4
177.09123	3.0
179.10594	2.5
181.08568	10.3
181.10135	6.4
182.10968	4.7
183.10104	6.0
183.11682	13.2
185.13225	14.2
187.14905	2.7
193.10132	4.3
195.10037	2.4
195.11601	6.2
196.12376	6.6
197.13254	8.2
198.13893	3.2
199.14821	4.9
207.11664	4.9
209.13222	5.7
210.14880	2.4
211.14796	33.5
213.16345	87.1
214.16780	2.6
221.13203	2.7
225.16466	3.1
229.15834	25.9
231.17355	22.9
235.14842	4.0
237.16331	7.9
239.17915	3.1
249.16420	6.3
251.17938	10.2
253.19505	5.3
255.17409	6.4
265.19553	2.5
277.19431	5.7
295.20551	7.1
301.21793	2.7
309.21844	2.8
313.21579	12.3
327.23129	24.1
353.20557	2.5
373.25299	4.7
381.27713	2.1
391.26239	18.5
397.27274	35.0
409.27304	38.3
427.28372	79.9
428.28558	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	427.2837
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
53.03934	0.9
55.01855	1.3
55.05500	5.2
59.04988	0.7
63.76780	0.4
65.03925	0.6
67.05499	4.9
69.03418	6.6
69.07044	1.3
71.04973	1.3
71.69002	0.5
71.69379	0.7
76.11636	0.4
79.05470	3.4
81.03419	0.6
81.07042	11.3
83.04965	12.9
83.08595	1.2
85.02900	0.7
85.06520	1.0
86.09676	0.5
91.05457	5.7
93.07020	4.9
95.04955	5.5
95.08605	4.6
97.02863	1.4
97.06505	1.3
97.10170	0.7
99.04425	1.2
100.11231	0.8
101.05997	1.6
103.05434	0.6
105.07013	7.3
107.04917	0.9
107.08578	7.9
109.06513	2.5
109.10158	2.7
111.04430	7.8
111.05173	0.8
111.08091	0.7
113.05972	1.4
115.05448	1.2
117.07007	2.5
119.08555	4.7
121.02891	0.7
121.06508	2.0
121.10120	3.6
123.04414	2.1
123.08058	1.3
123.11687	0.8
125.05942	0.8
125.09617	1.9
127.07553	3.7
128.06252	1.0
129.06993	2.8
130.07741	0.5
131.08543	7.5
132.76106	0.4
133.06493	0.6
133.10109	7.6
135.08035	4.8
135.11670	1.0
137.05984	1.0
137.09578	1.2
139.03876	0.9
139.07526	1.3
139.11166	0.6
141.06944	0.5
142.07756	2.5
143.08528	6.5
145.10095	7.0
147.08037	0.5
147.11656	2.4
149.09584	6.6
151.07491	0.6
153.09082	9.2
155.08540	1.8
156.09305	1.0
157.10098	16.6
158.10675	0.4
159.08022	0.7
159.11665	3.2
163.07527	1.6
163.11115	1.1
165.09088	1.5
167.08450	0.5
167.10712	1.1
169.10060	2.2
171.11649	9.5
173.09518	0.5
173.13240	1.3
175.11119	1.3
177.09087	6.7
179.03334	0.7
179.10684	0.5
181.08585	1.7
181.10092	0.9
182.10791	0.8
182.15388	0.6
183.10104	1.2
183.11694	2.7
184.12468	0.5
185.13214	3.6
187.11148	0.5
187.14775	0.7
195.10138	3.2
195.11705	1.1
196.12439	0.9
197.13197	0.9
198.13992	1.1
199.14758	0.5
205.39865	0.5
207.11728	0.4
209.13234	1.1
211.14780	6.4
213.16345	25.7
214.16751	0.6
221.13177	0.5
223.14772	0.5
224.15306	0.4
225.16211	0.6
227.17830	0.6
229.15807	4.1
231.17430	4.2
235.14772	0.6
237.16226	0.7
251.17891	2.5
253.19487	1.2
255.17281	0.7
269.18945	1.6
279.21228	0.7
295.20123	0.6
297.22116	0.7
304.70779	0.6
311.19958	0.6
315.23129	1.5
327.23178	1.1
334.03915	0.5
381.28287	0.5
391.26328	1.0
409.27356	3.7
427.28378	100.0
428.28741	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	427.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01851	2.5
55.05497	15.5
57.03434	4.9
57.07063	4.6
59.04988	6.6
62.85075	2.4
63.67052	2.4
65.03913	2.0
67.05492	21.6
69.03410	3.1
69.07053	10.3
70.34422	8.6
71.04980	9.1
73.55563	2.4
79.05099	2.4
79.05481	16.7
79.64120	2.1
81.07045	42.4
82.22231	2.3
83.04972	6.0
83.06097	3.0
83.08601	9.7
85.06505	2.8
91.05457	25.6
93.07025	37.2
95.04951	9.7
95.08591	26.1
97.06484	3.5
97.10162	2.7
99.04456	4.9
101.06002	5.1
103.05490	2.2
105.07015	45.6
107.04946	4.4
107.08572	28.7
109.06509	6.5
109.10143	26.0
111.04426	3.3
111.08045	6.5
113.02324	4.5
115.05452	3.4
117.05475	4.4
117.07014	9.2
119.08569	42.6
121.06462	3.2
121.10138	27.4
123.04390	3.9
123.08067	6.5
128.06200	3.6
129.05515	3.6
129.06999	9.2
131.08566	23.6
133.10106	36.0
135.04370	2.7
135.08035	5.2
135.11661	21.1
137.09644	3.3
139.03914	4.8
141.06996	3.4
141.09155	3.2
142.07727	5.9
143.08519	24.6
145.10106	42.5
147.08098	3.4
147.11665	38.1
149.09615	10.6
149.13202	12.7
151.11053	2.8
155.07037	7.4
155.08524	11.6
157.08617	7.7
157.10110	29.8
159.11681	44.1
161.09630	5.2
161.13239	40.6
163.11172	5.1
165.09021	7.3
169.10121	11.9
171.11627	24.6
173.09573	5.8
173.13258	18.2
174.14035	2.6
175.11180	3.5
175.14819	13.4
177.09137	4.2
181.08614	5.1
181.10059	4.4
183.11635	7.8
185.13220	19.1
187.14757	7.2
189.16370	2.9
193.08514	3.1
195.10114	8.3
195.11685	8.3
196.12537	2.7
197.13261	15.3
199.14716	11.3
201.12585	3.6
201.16371	5.9
203.12622	3.0
209.13203	5.6
211.14745	11.6
213.16373	11.6
215.17966	9.7
217.12158	2.6
221.13306	3.0
223.14816	6.4
225.11142	2.5
225.16335	10.7
227.17958	3.9
229.19472	6.1
235.14798	3.6
237.16310	4.3
239.17859	6.1
249.16377	5.5
251.17903	23.3
252.18643	3.9
253.19487	100.0
254.20082	10.2
255.21132	4.9
261.16028	2.4
267.20996	7.0
269.19019	6.0
271.20557	7.4
279.21030	6.5
281.22598	54.2
282.23306	22.9
283.24173	9.8
309.22211	2.9
311.23517	5.5
321.21939	5.0
327.23181	9.7
353.24860	3.2
363.26724	5.6
373.24832	3.3
374.04514	3.0
379.26227	2.7
381.27682	8.5
391.26291	16.8
399.28888	4.3
409.27319	30.3
427.28342	68.1
428.28616	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	428.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21130	0.8
53.03924	3.0
55.01851	4.0
55.05505	6.1
57.00003	0.6
57.03405	3.1
57.05999	0.7
57.07061	7.5
61.02905	2.1
67.05498	3.9
67.35908	0.6
68.99778	2.0
69.03417	11.9
70.06570	1.4
71.04959	2.0
73.02889	2.4
79.05471	0.8
81.03398	11.0
81.07027	2.4
83.04976	0.9
83.08597	3.1
85.02891	30.3
85.06537	4.5
87.00819	11.8
87.04473	0.7
88.77027	0.7
89.06017	23.3
91.05418	1.3
93.07016	1.5
95.04945	1.0
95.08585	1.1
97.02878	10.9
99.04437	6.1
100.65425	0.7
101.09644	11.8
103.03957	1.0
103.07543	1.9
105.01843	8.7
105.07004	0.8
107.07047	24.4
107.08561	1.6
108.50765	0.7
109.02856	9.9
109.10126	6.5
117.01835	1.5
120.08066	0.9
121.06513	1.0
123.04450	1.5
127.03899	18.2
129.01834	2.0
135.08029	0.7
137.09587	6.6
145.04929	6.3
145.12291	1.3
145.98526	0.7
147.02832	1.1
149.07410	2.7
151.03889	3.3
159.02888	6.1
163.13263	100.0
164.08305	1.1
164.13571	1.7
165.09097	5.1
180.06604	0.8
189.09018	0.9
203.35667	0.7
208.09628	0.9
213.03938	1.7
231.04984	3.0
239.12750	2.7
261.12698	1.9
266.14969	0.8
276.12234	3.3
279.12112	0.8
287.05460	1.9
385.08990	1.8
422.18311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1174
Annotation	Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Peak:m/z	Relative Intensity
53.03932	2.4
55.01857	6.2
55.05458	1.7
65.03925	3.6
67.05478	5.3
68.99783	3.9
69.03416	3.1
70.06573	12.7
71.67985	3.9
72.08150	4.0
77.12311	1.5
79.05486	4.0
81.03410	4.6
81.07041	1.7
83.04964	5.3
84.04472	1.7
84.08113	5.7
84.25263	1.5
85.02887	3.1
85.07642	7.0
86.09689	3.3
91.05847	8.0
93.03373	1.9
95.04954	7.3
97.02866	3.9
99.71106	1.6
107.04922	4.0
109.02859	8.2
111.04415	5.1
119.04921	5.9
121.02820	2.4
123.04408	73.4
124.04815	1.9
127.03896	56.4
133.02882	1.7
135.04370	10.0
135.78885	1.8
137.02371	3.0
137.05959	3.6
139.03873	100.0
140.04218	3.2
147.04391	16.2
149.04478	1.8
149.05815	1.7
150.05469	3.2
151.03873	74.9
152.04283	2.7
153.05412	2.1
161.05998	5.0
163.03871	29.9
164.04259	4.3
164.07076	4.3
165.04301	1.9
165.05484	9.9
167.05513	3.5
169.04973	5.1
173.06017	2.3
175.03912	3.1
175.07550	2.2
177.05466	2.9
178.05037	2.0
179.03450	2.6
179.07030	3.2
181.04929	5.2
189.05496	2.7
193.05005	11.6
197.05949	1.9
207.06512	2.7
213.05373	1.6
215.06952	3.9
216.61040	1.8
227.07098	1.9
231.05432	2.2
239.06819	1.8
243.06488	2.4
244.02594	1.5
259.06021	2.9
261.06583	1.9
273.07574	14.7
276.95071	1.7
277.07043	34.2
285.07556	5.3
289.06906	5.8
291.08533	7.7
298.66818	1.6
303.08585	58.6
304.08987	3.1
353.38928	1.7
359.02753	4.8
411.10037	3.2
429.11890	2.8
429.20963	38.2
429.73383	2.0
431.07373	1.6
447.85355	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	429.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	15.1
61.02911	1.2
62.43424	1.0
69.03384	1.1
69.99214	0.9
70.06583	1.2
70.08971	4.7
71.95252	0.9
85.02893	3.2
86.06030	1.6
86.90903	1.7
89.03902	2.7
90.87470	0.8
91.05785	1.1
94.06546	1.8
97.02867	1.2
98.97563	11.2
107.04963	1.0
110.97559	2.8
112.99117	55.6
115.76317	1.0
116.98581	5.2
117.03352	1.7
123.04408	1.3
127.03916	3.0
128.98611	3.6
131.00150	100.0
134.99641	2.5
135.04422	4.2
139.03877	1.9
143.00146	2.7
145.02753	1.2
146.99594	4.0
147.04385	1.4
149.01198	67.8
154.01746	3.4
158.99612	2.3
161.01199	2.4
163.02774	1.2
163.03899	18.0
163.05057	0.7
164.04205	2.7
167.02272	5.5
170.99661	1.0
172.02777	2.7
174.99176	4.1
175.02733	16.1
175.04097	1.3
177.00597	2.0
177.48648	0.8
178.96925	0.9
187.02826	1.3
189.00720	4.1
189.02283	0.9
193.00186	4.7
193.03818	45.8
194.01259	2.3
201.00766	1.8
205.03786	2.3
211.04866	34.0
212.02254	1.3
216.05341	2.7
219.01741	3.5
221.08002	1.1
231.07092	1.0
232.02040	0.9
234.06409	1.1
235.04689	1.2
237.02754	3.4
243.01686	1.7
245.04657	1.3
247.04832	1.0
249.06450	12.5
255.01678	1.3
261.02731	2.1
267.07446	5.6
291.03741	1.4
293.05356	58.7
294.06030	1.6
311.06570	15.6
311.10107	3.0
334.08124	2.1
387.05682	2.7
429.06702	1.9
429.11761	1.3
429.20538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11326	0.6
53.03931	1.0
55.01905	0.6
55.05495	2.1
57.03427	4.4
57.07078	1.5
59.61594	0.5
63.86126	0.5
67.05493	9.8
68.49239	0.5
69.07050	1.8
69.98565	3.0
73.16945	0.6
77.38285	0.5
79.05482	7.6
81.06604	1.0
81.07047	11.1
83.08601	2.1
85.06554	0.9
91.05436	4.4
93.07027	10.5
95.04963	1.0
95.08586	8.8
97.02914	0.5
97.10107	0.6
97.93459	0.5
105.06998	4.6
107.08577	6.9
109.10155	3.2
112.99998	100.0
117.07014	2.4
119.08564	3.7
121.10129	6.4
123.11675	1.3
131.00975	0.6
131.08546	5.1
133.10130	2.0
135.11694	5.4
137.13252	1.5
139.01515	0.7
145.10109	4.2
147.11673	2.4
149.02312	0.7
149.09506	0.5
149.13255	3.6
151.14857	0.7
155.01057	0.9
159.11671	2.4
161.13235	1.7
163.11143	0.6
163.14790	2.3
165.16335	0.6
169.02591	79.9
170.02957	0.9
173.13258	3.1
177.16396	0.7
187.14792	0.9
233.22617	1.4
243.21034	6.5
261.22107	18.6
262.51025	0.6
275.23727	0.7
359.02600	0.8
388.19681	0.5
429.23862	1.7
429.30917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05493	1.8
57.03428	5.6
57.07050	1.1
57.58897	0.6
64.96555	0.6
67.05490	9.4
67.11604	0.6
69.07043	1.8
69.54340	5.8
71.05001	0.6
71.08634	0.6
73.04748	0.7
79.05479	8.3
81.03403	0.9
81.07036	11.4
83.08597	1.5
89.32489	0.5
91.05414	4.7
93.07030	10.5
95.08594	9.3
97.02870	0.8
97.10168	1.1
98.21055	2.4
98.98459	0.8
105.07015	3.4
107.08575	7.3
109.06509	0.7
109.10119	3.3
112.99994	100.0
117.06995	2.6
119.08550	2.4
121.10110	6.3
122.26099	0.7
123.11640	2.3
131.01015	1.3
131.08542	5.0
132.76855	0.5
133.10091	2.1
134.02507	0.6
135.11617	4.7
137.13216	0.8
142.14377	0.5
145.10074	3.5
147.11664	2.5
149.02307	0.8
149.13211	3.5
151.14757	0.7
155.01076	0.7
157.10152	1.0
159.11665	3.1
161.13171	1.4
163.11295	0.8
163.14743	2.7
169.02583	85.0
170.02863	0.9
171.11423	0.7
173.13225	2.7
187.14790	1.3
211.13258	0.7
233.22621	1.8
243.21063	6.5
261.19278	0.9
261.22101	18.5
262.22418	1.2
275.23679	0.8
359.02478	0.9
429.11609	0.8
429.18634	0.7
429.24072	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77639	0.8
53.03915	1.4
55.05502	3.9
59.04960	0.8
67.05493	9.7
69.07055	1.9
70.08887	2.0
70.09301	2.1
71.04962	1.0
79.05476	6.2
81.07037	10.4
83.04957	1.8
85.07661	0.7
91.05466	10.0
93.07027	13.0
93.85827	0.7
95.04940	1.1
95.08584	11.3
97.06475	0.7
98.21415	1.6
101.05969	0.9
105.07005	14.2
107.08580	13.3
108.93797	0.8
109.02876	0.9
109.06523	1.5
109.10136	15.8
115.05355	1.1
117.07005	3.6
118.07797	0.7
119.08558	8.4
121.10125	20.4
123.08060	1.3
123.11668	2.4
125.46663	0.8
128.06155	1.3
129.06978	4.4
130.07776	1.3
131.08542	13.2
133.09175	1.3
133.10103	17.5
135.11655	3.6
137.09610	0.8
141.06970	0.7
142.07739	5.9
143.08530	7.3
144.09338	0.8
145.10100	14.0
147.11656	22.2
149.09596	2.0
151.07588	3.5
151.11176	2.5
155.08475	3.5
156.09132	1.2
157.10098	45.3
158.10446	2.8
159.11670	27.2
160.12088	0.8
161.09657	1.0
161.13251	2.6
163.11162	2.4
169.10127	4.1
171.11687	10.5
173.13284	5.0
175.11160	10.5
177.12749	1.6
179.10548	0.7
182.10883	1.2
183.11642	8.0
185.13184	4.6
187.14825	1.0
191.10532	0.8
196.12445	1.3
197.13219	9.6
198.13837	1.5
199.14772	1.5
205.54303	0.8
209.13329	0.8
211.14792	7.4
212.15494	1.5
213.16348	1.0
223.14806	1.3
224.15552	2.6
225.16335	3.7
238.17165	1.8
253.19472	65.0
254.19838	3.2
259.65405	1.0
271.20514	100.0
272.20853	6.0
318.70215	0.9
377.40262	0.8
411.28809	2.1
429.29889	21.5
430.07227	0.8
430.30255	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	429.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82851	0.3
53.03944	0.5
55.05501	2.4
57.03432	1.3
57.07053	0.4
59.04994	0.4
65.03929	0.6
67.05494	8.7
69.03413	0.4
69.07053	2.1
69.74789	1.1
69.75218	1.4
71.04986	1.0
73.06550	1.1
75.04488	0.7
75.54485	0.3
77.03896	0.5
79.05474	5.7
81.07043	9.5
83.04961	3.1
83.08614	1.0
85.02880	0.7
85.06551	0.8
89.06033	0.5
91.05453	7.3
93.07027	11.7
95.04948	1.9
95.08588	9.8
97.06517	1.3
97.10168	0.5
98.21391	0.8
101.06003	7.1
105.07013	11.7
107.04957	1.9
107.08576	12.3
109.02895	0.6
109.06484	3.4
109.10139	12.2
111.08075	0.6
115.05422	0.9
115.07564	0.5
117.06986	4.3
119.08566	7.5
121.06484	1.1
121.10118	18.3
122.10450	0.4
123.08049	2.6
123.11671	1.2
127.03933	0.6
128.06198	0.9
129.06984	4.4
130.07762	0.7
131.07552	0.4
131.07796	0.2
131.08543	10.0
133.10106	16.6
135.08018	0.5
135.11668	3.9
137.09590	1.2
139.07451	0.5
141.06987	1.0
141.09076	0.8
142.07748	4.6
143.08542	7.9
144.09334	1.2
145.10088	13.3
147.08026	0.7
147.11661	18.2
149.09602	1.7
149.13263	0.8
151.11177	2.6
153.01781	2.1
155.08501	2.5
156.09334	0.7
157.10097	38.7
158.10500	1.4
159.11667	21.5
160.12135	0.8
161.09599	1.1
161.13202	2.5
163.07491	0.5
163.11153	3.3
165.07001	0.4
165.09058	0.4
165.12738	0.4
169.10107	3.2
170.10811	0.4
171.11667	10.5
172.12062	0.4
173.13237	5.0
175.11150	7.5
177.12730	1.9
179.10684	0.5
181.10078	1.0
182.10851	0.9
183.11653	6.2
185.13242	4.3
187.14767	1.1
195.11687	1.4
196.12433	0.5
197.13213	8.2
198.13965	0.9
199.14799	2.6
201.16368	0.7
209.13257	2.3
211.14786	6.4
212.15459	0.8
213.16354	2.5
221.13258	0.5
223.14809	1.4
224.15573	2.3
225.16347	3.7
227.17868	0.9
229.19539	0.5
231.06544	1.2
235.14650	0.5
237.16235	0.4
238.17113	2.1
239.17928	0.5
242.16586	0.5
251.17924	1.1
253.19472	59.6
254.19820	3.2
255.21252	0.5
263.17865	0.6
265.19461	0.6
269.19034	0.7
271.20514	100.0
272.20920	4.7
279.21109	0.7
281.22537	0.6
305.22537	0.7
323.23563	0.7
335.23608	0.8
337.25247	1.1
341.24701	4.7
353.24677	3.9
355.26193	0.7
365.18777	0.4
371.25717	0.6
375.26926	0.8
381.27933	0.6
385.09146	5.5
386.09357	1.3
393.27844	2.6
395.89487	0.5
411.28848	9.7
429.11438	0.5
429.29907	6.5
430.30063	0.7
448.21259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	2.1
56.32669	0.4
57.03406	1.1
63.81191	0.4
66.59016	0.4
67.05492	5.7
69.07041	1.2
71.14076	1.0
73.06527	1.0
74.07462	0.4
75.04487	0.4
79.05482	3.8
81.07046	5.6
83.04970	2.8
85.07648	0.9
91.05458	4.8
92.29154	0.4
93.07029	6.9
95.04941	1.8
95.08588	7.2
97.06475	0.5
101.06007	7.7
105.07008	7.7
107.08572	8.8
109.06501	2.8
109.10132	8.2
115.05450	0.5
117.07001	1.8
119.08578	5.8
121.06446	1.0
121.10124	13.9
123.08043	2.7
123.11660	1.5
128.06111	0.9
129.07005	2.9
131.08542	7.5
133.10103	10.5
135.11668	2.3
137.09634	0.6
137.84355	0.4
141.06999	1.3
142.07727	2.5
143.08543	5.5
145.10094	9.8
146.10371	0.5
147.11662	14.3
149.09564	1.0
149.13306	0.5
151.07530	2.9
151.11201	2.6
155.08527	2.2
157.10101	31.9
158.10451	1.2
159.11670	15.6
160.12106	0.5
161.09540	0.9
161.13254	1.3
163.11125	1.9
165.09084	0.7
167.56836	0.4
169.10052	2.2
171.11661	6.5
173.13245	3.4
175.11139	7.7
176.11351	0.4
177.09207	0.6
177.12709	1.0
181.10205	0.6
182.10860	0.5
183.11615	3.3
185.13240	2.5
187.14812	0.7
191.10634	1.6
197.11609	0.6
197.13246	5.4
198.13797	0.4
199.14767	1.3
205.12122	0.6
209.13203	1.1
211.14790	4.9
212.15491	0.7
213.16315	1.3
224.15601	2.1
225.16315	3.0
237.16284	0.5
238.17163	0.9
251.17958	1.0
253.19473	47.3
254.19807	1.7
271.20514	100.0
272.20877	4.4
281.22507	0.5
337.25174	1.0
355.26282	1.4
411.28815	0.8
429.29865	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2993
Annotation	Chabrolohydroxybenzoquinone F
Peak:m/z	Relative Intensity
53.03934	6.0
55.01862	2.5
55.05493	8.4
57.03429	4.0
57.07052	2.3
61.59107	1.4
65.03905	1.8
67.05488	20.7
69.03404	5.0
69.07058	4.2
69.75081	11.0
69.75395	3.1
71.04979	2.2
79.05485	6.6
81.07043	21.6
83.04976	9.2
85.02883	3.0
85.06532	19.3
91.05467	10.6
91.27747	1.4
93.07028	14.7
95.04945	17.8
95.08592	17.6
95.50244	1.3
97.06508	2.8
99.04427	3.6
101.05977	1.9
105.07006	15.6
107.08575	8.8
109.02857	42.0
109.06477	3.6
109.10146	19.2
111.58849	1.3
117.06983	5.1
119.08560	10.9
119.12138	1.4
121.06490	5.0
121.10132	8.7
123.04411	48.4
123.08054	9.4
123.11686	4.0
125.05992	3.5
125.09620	8.1
128.06209	1.9
129.06998	6.4
131.08527	13.5
133.10106	20.2
135.11691	3.8
137.05943	1.6
137.09561	9.1
139.11172	4.7
141.06947	1.7
141.09071	11.9
142.07755	6.6
143.08545	17.4
145.10095	16.3
147.08051	7.2
147.11667	12.0
149.09593	2.2
151.11134	10.1
155.08559	4.5
156.09308	2.1
157.10097	45.8
159.11659	11.7
161.09561	4.0
161.13220	1.5
165.09085	100.0
166.09413	1.8
167.10625	8.4
169.10123	5.4
171.11664	22.7
173.13240	5.2
175.11113	4.0
179.10641	50.5
181.10161	2.0
181.12183	2.7
183.11693	5.0
185.13216	8.4
195.11693	3.9
196.12450	1.8
196.60991	1.4
197.13289	4.1
198.13911	2.1
209.13373	2.4
211.14766	11.8
213.16356	44.0
215.14192	1.6
223.14732	1.9
225.16290	2.8
227.17921	4.4
229.15834	10.3
231.17415	10.2
237.16241	3.1
249.00359	1.6
251.17921	3.3
253.19478	17.3
267.17480	3.0
269.18973	3.4
271.20535	22.6
275.25381	1.6
279.21155	1.9
295.20877	1.4
315.19894	1.6
315.23187	10.0
327.23386	1.7
355.26102	2.1
375.26767	2.9
383.29315	2.5
393.27777	11.7
411.28851	92.6
412.29239	7.8
429.29953	20.1
430.30463	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27474	1.1
53.03923	3.6
54.41803	1.3
55.01860	2.4
55.05505	6.6
57.03409	2.2
57.07060	2.6
59.05003	1.4
67.05189	1.4
67.05495	16.9
69.03417	6.1
69.07045	2.7
70.07925	4.2
71.04962	1.4
79.05476	5.5
81.06604	1.7
81.07046	22.0
83.04974	9.8
83.08591	1.2
85.02886	2.6
85.06526	14.8
91.05459	12.3
93.07033	13.4
95.04412	1.5
95.04967	18.9
95.08598	14.6
97.06486	2.7
98.21391	1.4
99.04418	3.5
99.08057	1.1
101.05996	1.9
105.07012	14.3
107.08582	9.0
109.02862	44.2
109.06483	4.1
109.10137	13.8
110.03159	1.3
111.04377	1.4
111.08031	2.6
113.09573	1.3
115.07523	1.9
117.06974	3.1
119.08542	11.7
121.06513	5.5
121.09364	1.0
121.10105	6.5
123.03509	2.3
123.04409	45.3
123.08037	10.2
123.11679	3.1
124.05285	1.2
125.05946	3.0
125.09622	7.2
128.06178	2.5
129.06972	6.3
131.08551	12.2
133.10115	17.2
135.11636	2.7
137.05928	2.6
137.09599	8.9
139.11125	3.7
141.09082	13.6
142.07745	5.5
143.08536	15.4
145.10085	17.3
147.08005	4.0
147.11682	6.9
149.09595	2.5
151.11111	7.1
153.09094	1.7
155.08553	4.2
156.09329	3.4
157.08862	2.2
157.10107	37.4
158.10484	1.4
159.11674	8.4
161.09586	3.7
161.13211	1.2
163.11136	1.7
165.09093	95.9
166.09435	3.8
167.10657	5.5
169.10106	4.8
171.11665	22.2
172.12262	1.0
173.13214	3.3
175.11143	3.2
179.10645	52.1
180.10938	2.0
181.10150	2.0
181.12172	1.8
182.10811	1.4
183.10141	2.3
183.11674	6.2
185.13232	7.5
187.14761	1.5
195.11650	3.2
196.12485	3.0
197.13158	3.5
199.14923	1.2
207.11574	1.9
209.13240	1.4
211.14774	11.7
213.16360	42.2
214.16772	1.9
221.82573	1.2
225.16362	2.7
227.17899	2.2
229.15804	11.7
231.17422	9.8
235.14795	1.3
237.16284	2.1
249.16228	2.6
251.17880	4.0
253.19493	8.7
255.17253	1.7
267.17377	3.4
267.24710	1.1
269.19031	2.7
271.20493	13.9
279.21106	1.6
287.20041	1.2
297.22037	3.1
315.23047	9.9
375.26767	3.4
383.29272	3.0
393.27841	14.9
404.38937	1.1
411.28888	100.0
412.29230	8.1
429.29996	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	429.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05500	3.3
55.43642	0.5
57.03407	1.5
65.03923	0.5
67.05149	0.4
67.05493	7.8
69.03407	0.7
69.07043	1.7
69.38223	4.3
71.11422	0.4
73.02847	0.4
73.06531	1.0
73.26113	0.3
75.04453	0.8
79.05476	5.3
79.70474	0.4
81.07043	7.4
83.04959	3.7
83.08588	1.4
85.02866	0.5
85.06557	0.5
91.05447	5.6
93.06439	0.6
93.07024	10.0
95.04934	2.0
95.08582	7.6
98.21480	0.7
101.06000	8.8
105.06338	0.6
105.07008	9.9
107.08575	11.6
107.09312	0.6
109.02892	0.7
109.06490	3.4
109.10147	11.5
117.06981	2.7
119.08552	6.0
121.06458	1.1
121.09253	0.9
121.10121	16.4
123.08044	2.7
123.11667	1.7
125.09635	0.5
128.06192	0.9
129.06978	4.1
130.07729	0.5
131.08548	8.4
133.10101	14.6
135.08006	0.7
135.11646	2.8
137.09540	0.6
141.06956	1.0
142.07768	4.6
143.08543	6.0
144.09331	0.7
145.10103	11.0
147.11655	17.7
148.12042	0.5
149.09525	1.3
151.11147	2.6
153.01761	1.3
155.08478	2.9
157.10095	40.6
158.10454	1.4
159.11655	20.1
160.12015	0.7
161.09554	0.9
161.13219	1.8
163.11148	2.4
165.09128	1.0
169.10124	2.5
171.11667	8.6
172.12039	0.4
173.13231	4.4
175.11154	7.6
175.14798	0.4
177.12723	1.4
182.10805	0.8
183.11633	4.9
185.13231	3.6
187.14813	0.7
191.10477	0.4
195.11687	1.4
196.12401	0.9
197.11424	0.5
197.13216	7.5
198.13756	0.6
199.14754	1.0
209.13211	1.2
211.14764	6.3
212.15468	1.2
213.16293	1.9
223.14803	0.9
224.15640	2.2
225.16293	3.9
227.17723	1.1
238.17189	1.4
242.16415	0.5
251.17896	1.1
253.19470	50.6
254.19763	3.1
257.91690	0.4
269.19031	0.8
271.20508	100.0
272.20840	5.1
281.22604	0.8
337.25137	1.1
341.24783	0.9
355.26343	1.1
385.09082	2.2
393.27917	0.8
411.29034	2.4
429.12204	0.6
429.29840	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	429.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05494	3.7
67.05489	7.2
69.03381	0.8
69.07027	0.7
71.13965	1.7
79.05478	6.2
81.07043	9.2
83.04942	1.4
83.08572	1.1
84.49911	0.5
85.06538	0.7
91.05447	6.4
93.06507	0.9
93.07024	10.7
95.04895	0.8
95.08011	0.8
95.08585	9.5
101.05968	1.7
105.07018	10.6
107.07923	0.7
107.08577	11.6
109.06451	0.8
109.09426	0.9
109.10133	13.3
110.10481	0.7
115.05452	1.1
116.96045	0.5
117.06969	2.6
119.08555	7.1
121.10119	19.1
123.08025	0.9
123.11644	1.4
128.06175	1.4
129.06992	3.0
130.07727	0.6
131.08548	10.6
133.10103	18.4
135.11679	2.9
137.09535	0.7
141.06927	1.4
142.07767	4.0
143.08548	7.2
144.09315	1.0
145.10083	14.0
147.11655	20.0
149.09564	1.5
151.07489	0.9
151.11098	2.5
151.12128	0.6
155.08505	2.6
157.10095	43.6
158.10457	1.1
159.10368	1.2
159.11661	23.7
161.13229	2.2
163.11136	2.8
168.49896	0.7
169.10086	3.2
171.11661	9.9
173.13257	4.3
175.11150	10.1
175.14793	0.7
177.12614	1.0
182.10925	1.2
183.11655	5.0
185.13205	4.5
187.14821	0.7
195.11646	0.7
196.12463	1.2
197.13199	9.7
198.13741	1.1
199.14752	1.2
209.13162	1.7
211.14786	8.5
212.15483	1.8
213.16342	1.9
223.14760	1.7
224.15553	3.1
225.16330	3.5
227.17813	0.7
238.17055	2.5
253.19476	57.4
254.19801	2.6
255.21112	0.8
271.20517	100.0
272.20871	5.3
287.56833	0.7
358.26508	0.8
393.28040	0.7
409.58389	0.6
411.29248	1.5
429.29953	24.5
430.30429	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05495	2.2
57.07074	3.6
65.58823	0.8
67.05483	2.9
69.07053	2.9
69.97697	3.9
70.32084	0.7
71.08609	3.2
77.53789	0.7
79.05503	1.2
81.07037	6.1
83.08607	1.5
85.07643	1.5
85.10143	0.9
90.89591	0.7
91.82415	0.7
93.05418	0.7
95.08610	3.7
97.10155	1.7
105.07020	1.6
105.89089	0.8
106.59711	0.8
109.10151	4.3
111.11716	0.9
119.08561	3.2
119.84491	0.7
121.10149	1.2
122.07292	1.7
123.08041	0.8
125.05964	3.0
131.08531	1.0
135.07982	0.9
137.09581	9.7
145.10054	1.5
149.09589	5.5
151.07567	1.2
159.11694	2.7
162.06693	0.8
163.11172	2.8
165.09091	100.0
166.09393	3.2
172.08780	0.9
173.09578	1.1
174.22037	0.8
175.07494	2.0
176.08282	2.0
177.09061	3.4
177.12694	1.1
179.10667	1.7
187.11154	2.5
190.09831	2.9
191.10626	3.9
205.12213	22.5
249.13565	0.9
401.33878	1.2
429.37149	7.4
430.37711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3721
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.09472	0.5
55.05498	2.4
57.07065	16.7
65.03902	0.5
66.68877	0.4
67.05493	4.5
69.07061	4.5
70.80530	1.3
71.08617	12.3
79.05463	1.7
81.07040	6.8
83.04936	1.0
83.08601	2.4
85.10166	6.1
91.05445	2.3
93.07005	2.6
95.08593	7.4
97.10145	2.0
99.11671	0.6
105.07007	1.7
107.08575	4.8
109.06467	0.6
109.10146	5.9
111.04413	1.0
111.11689	1.3
117.06979	0.8
119.08575	3.1
121.06509	1.1
121.10133	3.7
122.07224	1.0
123.08057	1.3
123.11700	1.3
131.08519	2.9
133.10104	1.0
135.08040	3.8
135.11682	1.4
137.05948	0.8
137.09586	8.6
137.13188	0.7
139.07500	1.7
145.10071	2.5
147.11691	0.7
149.09598	12.3
151.07507	1.5
151.14809	0.8
159.08090	1.0
159.11676	3.4
160.08795	0.8
161.09593	1.0
162.06747	1.1
163.07484	0.6
163.11163	19.9
164.11485	0.9
165.09085	100.0
166.09438	2.5
173.09612	1.6
173.13235	2.2
175.07486	0.8
175.11201	4.8
176.08284	1.7
177.09073	11.6
177.12700	3.1
179.10686	1.4
186.10370	0.7
187.11163	2.2
187.14781	1.0
189.09119	0.8
189.12685	1.7
190.09848	1.1
191.10645	11.3
192.11111	0.5
193.12268	0.5
201.12665	2.9
203.10654	2.1
203.14275	1.1
204.11395	1.1
205.12209	9.9
215.14304	1.0
219.13728	5.8
229.15837	0.9
233.15335	3.2
242.76988	0.5
247.17023	1.0
261.18488	1.4
271.67249	0.5
275.20056	1.7
280.43045	0.5
281.03610	0.4
289.21548	1.6
303.23193	2.0
317.24780	1.2
331.26080	0.8
345.27902	1.3
359.29355	0.8
373.30933	1.2
401.34052	2.0
406.53372	0.5
411.36258	1.4
429.37216	35.6
430.37726	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	429.3721
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.94555	0.4
53.03934	0.7
55.05508	2.7
57.07068	18.4
65.03953	0.6
67.05495	6.2
67.55959	0.6
69.07055	4.5
70.87002	0.9
70.87357	1.3
71.08252	0.6
71.08624	12.0
79.05484	2.6
81.07043	7.1
82.88997	0.5
83.01305	0.6
83.04948	0.8
83.08603	3.3
85.06535	0.5
85.10172	4.5
91.05461	1.9
93.07042	2.9
95.08597	7.0
97.10184	2.3
99.11725	0.6
100.85208	0.4
105.06994	2.5
107.08580	6.8
109.06465	1.1
109.10149	6.6
111.04431	1.0
111.08147	0.5
111.11686	1.2
117.06969	1.4
119.08586	4.3
121.06529	1.0
121.10136	4.3
122.07256	1.6
123.08065	1.1
123.11681	1.1
131.08542	2.6
133.10135	1.7
135.08031	6.2
135.11644	2.6
136.08792	0.7
137.05959	0.7
137.09596	10.6
137.13229	0.8
139.07510	2.3
143.08548	0.7
145.10091	2.2
149.09593	15.5
149.13258	0.5
151.07523	1.6
151.14798	0.7
157.10110	0.9
159.08066	1.2
159.11667	3.1
160.08852	1.1
161.05995	0.7
161.09584	1.4
162.06760	1.3
163.07574	0.6
163.11166	23.3
164.08235	0.6
165.09094	100.0
166.09431	3.3
173.09604	2.0
173.13225	2.6
175.07617	0.6
175.11182	4.7
176.08310	2.1
177.09079	10.7
177.12688	1.8
179.10654	1.4
186.10416	0.8
187.11192	3.2
187.14822	0.8
189.09180	1.1
189.12805	1.8
190.09901	1.1
191.10663	10.8
191.12404	0.6
191.14267	0.6
192.11073	0.6
193.12230	0.8
200.11876	0.6
201.12747	2.5
201.16339	0.6
203.10670	2.0
203.14340	1.3
204.11493	1.3
205.12221	9.5
215.14294	1.5
219.13808	5.6
233.15376	2.6
247.16975	2.1
261.01935	0.5
261.18570	1.5
275.20090	1.3
289.21661	1.5
303.23151	1.9
317.24680	0.7
331.26266	1.2
345.27951	1.5
359.29416	1.1
373.30994	1.6
401.34167	2.9
411.36200	2.3
429.37222	38.8
430.37738	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	9.6
56.96554	14.4
57.03430	11.2
59.86521	2.4
61.02911	3.1
65.03922	3.6
67.05495	3.6
69.03413	9.9
70.06593	7.1
71.01345	7.8
71.04978	4.6
71.68727	3.1
73.02904	9.7
81.03435	3.4
83.01331	5.4
83.04958	7.8
84.04523	5.7
85.02918	13.2
87.04458	15.1
89.02378	4.9
89.03906	5.6
91.05832	6.0
94.03703	3.0
95.04948	3.7
97.02895	6.8
98.97559	12.5
101.02350	19.6
107.04931	6.4
111.00762	6.5
111.04440	7.3
112.07527	2.9
115.03921	36.7
116.98605	6.8
117.03395	3.7
119.04857	2.9
121.06499	17.3
122.11752	3.1
123.04423	8.5
124.03958	3.5
127.03910	6.1
128.98595	4.2
129.01817	23.2
133.04951	6.6
134.99692	3.8
135.04378	18.2
136.06154	7.4
138.09137	4.3
139.03896	12.9
143.00229	2.8
143.03320	18.0
145.02792	5.9
146.99638	5.9
147.02852	5.7
147.04395	5.5
148.07593	4.0
149.02449	3.3
152.18652	3.4
156.03168	2.7
157.01302	27.7
161.01254	4.3
161.04433	18.9
162.30803	2.6
163.03873	46.6
164.04297	4.0
164.07036	5.5
165.05582	3.9
165.48549	3.0
166.91229	2.8
167.05519	3.3
171.02841	12.7
175.02394	3.3
177.00612	3.4
178.05008	5.6
179.03471	4.1
189.03918	100.0
192.06566	11.1
193.04942	3.0
203.03296	5.2
207.04964	11.5
208.06012	4.3
210.07578	4.8
219.01808	6.3
220.06075	9.3
220.34857	3.1
226.98706	4.2
229.00267	4.9
237.00723	4.5
237.02866	8.9
238.07069	9.7
255.67746	2.9
268.08151	6.7
299.45288	2.7
335.05829	4.7
342.10779	3.1
355.03427	4.2
359.06195	6.7
360.02792	6.7
361.02206	5.9
370.00894	4.8
373.04340	8.4
377.07028	14.5
395.08075	4.8
412.12201	7.3
429.27332	2.9
430.07910	3.3
430.13373	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	430.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05494	6.4
58.06306	3.4
58.06567	5.5
60.04498	13.3
63.97348	3.2
65.03915	12.2
65.67845	3.1
67.05482	16.4
68.99757	5.2
69.03405	9.9
69.99500	12.7
69.99912	7.2
70.06575	43.0
70.30974	4.0
79.05480	4.0
82.06640	3.5
83.04968	30.9
84.04474	15.8
84.08125	11.0
85.02894	7.6
86.09691	5.5
91.05470	10.2
93.03386	14.8
95.04938	26.3
100.03954	5.0
103.05460	5.8
105.03362	8.1
107.04933	5.6
108.08081	7.3
111.04430	39.5
114.05516	3.5
118.06506	12.6
119.04921	13.3
120.08015	7.7
120.85227	3.5
121.02817	15.5
121.06477	6.2
122.05958	9.4
123.04408	100.0
124.04799	4.7
126.05450	4.5
127.03872	13.3
129.05457	17.5
129.10222	8.8
131.04858	7.6
132.04401	6.7
133.02847	21.6
134.05983	5.5
135.04355	13.1
136.07553	11.5
137.05934	11.8
138.05482	6.7
139.03874	42.0
140.04236	6.4
140.66447	3.5
145.06458	3.8
146.06012	31.2
147.04391	42.0
147.06584	6.7
148.03886	6.5
148.07571	10.7
149.02361	19.4
149.05922	11.7
150.03131	7.1
150.05481	5.5
151.03883	31.9
152.06985	6.0
153.01755	4.4
157.04948	15.0
159.04408	6.8
161.02266	6.9
162.05507	8.4
163.02580	3.6
163.03827	20.0
163.06215	5.1
164.07054	69.3
165.05449	15.0
165.07831	7.0
166.04929	9.0
167.03366	6.3
174.05495	20.5
175.03877	11.8
175.06084	5.2
176.03397	5.7
176.07069	24.6
177.01811	21.3
177.05405	27.4
178.04961	15.0
179.03380	20.5
180.06529	9.8
181.07280	5.4
192.06514	54.6
193.04977	12.0
193.06955	4.7
194.04465	14.9
194.08070	18.8
195.02901	17.5
196.06026	5.5
202.04973	17.1
203.03337	19.2
204.06548	6.4
206.08147	4.2
210.07555	16.0
220.05991	47.6
221.04402	7.8
238.07091	39.2
239.05443	5.3
256.08081	9.5
277.07278	4.3
278.07370	8.6
303.25378	3.7
304.08939	8.6
307.07974	4.0
325.09204	5.9
329.10028	4.5
353.08633	11.9
384.12769	5.8
386.15805	9.2
394.11252	7.4
412.12180	48.1
413.10739	5.6
430.13495	39.8
430.20151	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	430.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13973	7.1
59.97643	8.5
60.04504	22.3
64.36176	9.8
65.03926	15.6
67.05479	18.2
69.03397	19.4
71.68001	8.2
76.07637	7.1
81.03375	9.2
83.04966	43.2
84.04496	19.4
84.08131	11.3
85.02874	18.8
91.05814	19.5
92.05747	7.8
93.03387	11.5
95.04958	58.4
98.09656	14.5
100.03917	12.0
107.04955	9.3
111.04440	52.6
118.06489	16.1
119.04942	11.8
121.02843	14.6
122.05994	7.8
123.04404	100.0
129.05466	19.7
131.04880	9.0
133.02846	16.9
135.04402	24.7
136.07568	18.2
137.05922	9.3
139.03876	51.4
143.11757	11.5
146.05962	43.8
147.04388	35.5
148.03879	10.7
148.07510	19.7
149.02295	32.8
149.05923	13.2
150.05455	11.4
151.03867	26.0
152.06964	9.7
153.05464	9.2
157.04929	27.8
162.05504	13.2
163.03918	54.3
164.07068	87.2
165.05511	16.6
165.07808	13.2
166.04996	10.0
167.05492	12.2
174.05495	31.3
175.03899	25.1
176.07042	34.2
177.01837	19.5
177.05408	18.1
178.04959	13.6
179.03369	27.9
192.06529	70.7
193.04973	17.8
193.06813	8.5
194.04414	13.2
194.08109	21.3
195.02841	22.0
202.04939	27.9
203.03317	18.4
203.05328	8.8
210.07602	28.1
220.06038	74.6
221.04443	18.1
238.07071	70.7
239.05466	9.2
256.08139	14.9
359.03003	9.5
360.02710	19.5
390.36136	8.0
394.11050	12.9
412.12299	48.3
430.13498	49.5
451.29489	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	430.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81900	4.3
55.05490	7.1
65.92297	3.6
67.05488	15.0
69.03409	13.6
70.06582	53.1
71.69820	6.1
72.08160	19.9
81.03413	5.1
81.07044	8.1
83.04954	5.6
84.08097	8.3
85.02896	19.1
85.06522	7.7
86.09679	37.9
89.59618	3.7
91.05833	5.1
92.33551	4.1
93.07012	9.8
95.04900	7.0
95.08589	69.7
96.85011	3.8
97.02830	4.3
97.06493	4.8
105.07018	10.1
107.08559	11.1
108.08099	58.8
109.02842	7.6
109.06526	7.4
113.05981	10.9
114.05524	9.5
119.08543	17.1
120.08064	7.1
121.06501	4.5
121.10133	6.2
123.08041	37.2
124.03951	8.3
129.06955	4.8
131.08560	4.7
133.10085	6.3
135.11705	13.8
137.05911	8.3
138.09129	4.9
139.03886	5.4
147.04367	10.2
147.08051	4.6
147.11671	7.1
149.09558	25.6
157.71594	4.2
159.11613	4.3
161.05859	3.6
161.13229	14.5
163.11139	13.4
165.05460	5.3
176.10655	20.0
177.05431	4.9
179.14301	5.0
183.23790	4.0
189.12727	16.7
202.61320	4.1
204.08470	4.7
207.13770	100.0
225.14804	7.0
232.16858	9.3
242.15031	4.3
250.17964	21.0
268.19077	14.6
289.14252	7.7
362.16202	5.9
400.34064	4.2
414.19214	9.0
423.01669	4.3
431.10779	4.2
431.21918	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62710	1.1
55.05496	1.9
61.69101	1.2
67.05479	2.8
69.03413	6.4
69.07069	2.2
69.90259	1.1
69.91135	6.2
70.06579	7.0
72.08133	7.8
74.06078	1.2
79.05481	1.6
79.95602	1.1
81.03391	4.1
81.07037	2.3
82.06577	1.5
83.04969	3.3
84.08150	1.6
85.02893	6.0
86.09687	4.9
87.00826	2.3
87.38628	1.1
91.05412	2.7
93.07010	1.5
95.04965	1.4
95.08595	1.5
96.22063	1.1
97.02858	2.1
99.04398	1.7
105.01833	2.4
105.06999	2.3
107.08556	1.8
109.02840	3.5
109.10112	3.2
112.11199	2.5
117.06898	1.1
124.07574	1.6
127.03901	4.4
129.07071	1.3
129.10229	1.0
134.05975	2.7
135.08014	1.5
136.07567	1.3
137.02293	2.2
137.09567	3.9
138.09070	1.5
140.10651	2.2
141.06790	1.2
152.07047	4.6
157.10036	1.5
163.11159	1.9
165.09108	3.3
165.12779	1.4
167.08543	1.6
173.12845	3.6
177.10211	1.4
180.06526	3.5
183.11349	2.7
185.09647	2.3
201.12337	2.3
270.07529	4.2
289.14398	1.2
313.17068	1.2
315.04843	3.9
340.15457	2.3
341.06387	1.4
358.16400	2.0
369.06012	1.7
372.37756	1.3
382.16226	1.6
386.15817	11.1
395.07336	2.2
399.08380	3.6
404.17178	1.4
413.08362	2.8
414.19095	2.2
431.10956	100.0
431.22287	21.3
432.11182	6.0
432.16534	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	431.2171
Annotation	19-Hydroxyconopharyngine
Peak:m/z	Relative Intensity
52.39747	0.3
58.45184	0.3
70.06581	7.0
71.08520	0.7
71.08858	0.4
72.08144	9.7
72.61539	0.4
80.05013	0.8
86.09699	0.6
91.05481	0.9
94.06569	0.5
96.04487	0.6
105.07005	1.2
108.04489	1.7
110.06033	1.2
110.09672	0.4
111.06800	1.3
112.07603	0.5
117.06971	0.8
119.08554	0.4
120.08102	0.9
122.06057	1.2
126.21360	0.3
129.06995	0.5
131.08553	0.7
134.09618	1.7
135.10391	2.5
136.07573	0.6
136.11194	0.4
138.09114	1.2
141.06992	0.4
143.08542	1.2
145.10147	1.0
146.09583	0.3
148.07553	0.8
150.09138	1.4
157.10075	1.6
159.08020	0.6
159.11668	0.7
161.09590	0.6
161.10721	0.7
162.09120	3.3
162.11493	1.2
163.09937	2.7
163.12181	0.5
164.10710	0.8
167.08530	2.8
169.10077	1.0
179.11801	0.8
179.29671	0.3
180.12560	1.7
185.09555	3.2
187.11180	0.7
195.11870	0.4
197.13263	0.7
201.34483	0.3
203.10539	0.5
213.09186	0.6
231.10120	1.2
249.11258	1.5
252.13884	0.4
263.63809	0.3
267.16412	0.3
270.14954	0.6
271.13306	0.4
287.14774	0.3
289.14255	1.2
298.14468	0.3
314.13953	0.3
316.15430	1.7
317.13776	0.9
329.52451	0.4
334.16364	2.1
340.18982	0.7
342.20667	2.5
344.14642	0.6
350.17493	0.3
358.19974	0.5
359.23538	0.5
362.15887	7.8
363.16479	0.4
368.18518	1.4
372.14282	1.7
385.21164	1.2
386.19495	7.4
387.19818	0.5
396.17755	0.5
403.22064	1.3
413.20654	9.0
414.19073	16.1
415.19662	1.8
415.24457	0.3
431.21725	100.0
432.22046	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	431.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
53.50280	1.6
53.67833	1.4
54.52271	1.4
54.52553	1.8
55.01849	6.0
55.05497	14.0
57.03424	24.7
57.07061	3.0
61.02614	3.3
61.02912	49.9
65.03921	2.9
67.05490	80.4
68.05827	2.2
69.03410	32.6
69.07056	25.5
70.06566	2.3
71.01339	4.8
71.04974	11.0
71.69297	2.9
73.02900	20.6
79.05476	42.9
81.03403	24.2
81.07040	100.0
82.07348	3.3
82.09715	1.7
83.04975	10.9
83.08596	15.8
85.02885	48.0
85.06527	8.9
86.03120	1.7
87.00835	1.7
87.04432	4.1
91.03938	30.5
91.05453	21.0
93.07023	70.3
94.07365	1.8
95.04949	11.0
95.08582	34.6
97.02869	45.4
97.06506	14.2
99.04446	11.9
99.08075	5.1
101.02358	12.8
103.03934	4.6
105.07028	14.7
107.04922	3.3
107.08564	40.8
109.02840	15.5
109.06499	9.1
109.10135	15.7
110.87302	1.9
111.04424	3.1
111.08082	9.4
113.05984	3.7
113.09619	1.9
115.03920	2.7
115.05447	1.9
117.06968	13.9
119.08530	8.4
121.06471	6.2
121.10126	28.0
122.10474	2.6
123.04400	2.9
123.08102	3.7
123.11700	6.0
124.90929	1.8
125.06001	2.0
125.09622	3.6
127.03881	22.9
127.07481	1.6
129.05446	4.1
129.06984	3.3
131.08549	18.9
133.06506	2.1
133.10088	20.0
135.08020	4.0
135.11655	14.0
137.05928	2.8
137.09564	4.8
139.11113	3.9
142.07762	2.7
143.08545	5.7
145.04921	7.9
145.10072	9.4
147.07957	2.6
147.11661	11.3
147.12662	2.1
149.09552	4.1
149.13231	66.4
151.07507	10.0
151.11224	1.7
155.08514	2.2
157.08914	1.9
157.10051	12.7
158.10455	5.3
159.10378	2.9
159.11668	36.0
160.11919	3.1
161.09581	3.7
161.13206	4.9
163.11230	2.3
165.09093	5.6
167.06995	5.6
169.10078	2.9
171.11658	5.9
173.13271	3.6
175.11249	3.3
177.09068	3.1
177.12747	17.0
183.06470	6.2
183.11673	3.3
185.13258	2.2
185.82182	1.9
189.12756	2.2
191.10667	2.3
193.08517	2.3
195.10059	4.8
195.11911	3.2
195.13768	45.1
197.13121	2.6
201.07443	3.9
211.14815	3.6
212.15338	2.8
213.14771	2.7
219.10213	3.6
253.19499	15.1
254.19788	5.1
255.20230	5.2
269.17429	80.6
270.17667	3.3
271.20523	32.6
272.20810	7.6
273.21222	8.3
297.16885	4.9
311.18329	4.2
330.73495	1.8
334.98419	1.7
387.53613	2.4
413.21680	3.9
413.30246	7.5
431.22482	6.5
431.30978	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	431.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	2.7
55.05502	2.0
56.75469	0.7
57.03415	1.1
57.07049	2.4
65.03894	0.9
67.05491	12.7
69.07041	1.9
69.56951	1.1
69.57359	6.1
71.04972	1.6
74.59065	0.9
79.05471	6.7
81.03409	0.9
81.06688	0.9
81.07047	9.0
83.04976	1.2
83.08582	1.0
85.06529	11.4
91.05447	8.1
91.31808	0.8
93.07020	10.0
95.04951	5.4
95.08579	10.9
97.06534	1.2
97.10147	1.1
105.07008	12.1
107.04851	0.8
107.08571	11.7
109.06486	2.6
109.10130	12.1
111.08048	1.0
111.72470	0.9
113.05999	6.4
117.06973	1.6
117.70896	0.7
119.08556	6.7
121.06461	1.1
121.10115	17.9
123.08106	0.8
123.11678	1.6
125.09613	0.8
129.06982	2.9
131.08531	10.8
133.10110	15.4
135.11655	4.6
141.06914	1.0
142.07770	4.2
143.08553	6.3
143.10652	1.2
145.10101	13.4
147.09883	0.8
147.11656	18.6
149.09552	1.7
149.13304	1.6
151.07494	0.9
151.11142	2.1
155.08502	2.2
156.09355	0.9
157.10100	38.3
158.10590	0.8
159.11664	21.1
160.51132	0.7
161.09615	1.6
161.13184	2.6
163.11128	2.5
169.10054	3.1
171.11652	9.8
173.13232	5.4
175.11171	8.2
175.14870	1.0
177.12708	1.3
182.10797	1.3
183.11626	4.8
185.13232	4.7
186.13634	0.7
187.14888	1.0
195.11604	0.9
197.13245	9.0
198.13950	1.1
199.14781	2.2
211.14807	6.8
212.15477	1.5
213.16283	2.5
223.14792	2.1
224.15555	2.2
225.16341	4.1
238.17058	2.2
245.91270	0.9
253.19466	55.6
254.19775	2.5
263.17551	0.9
271.20511	100.0
272.20850	3.7
283.24109	2.0
355.26263	10.4
377.28003	0.8
395.29227	2.5
413.30435	37.9
414.30710	2.7
431.26334	5.3
431.31873	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	431.3149
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
50.99462	0.5
55.01852	1.7
55.05498	2.5
57.03423	1.4
57.07054	2.3
62.50266	0.6
65.03922	0.8
67.05495	14.9
69.03404	1.4
69.07046	2.4
69.60906	5.2
70.06564	0.7
71.04971	1.5
72.06544	0.6
73.44051	0.6
79.05161	0.5
79.05485	5.4
81.03406	0.6
81.06610	0.8
81.07040	10.0
83.04941	1.0
83.08605	1.6
84.08138	0.7
85.02898	0.8
85.06537	11.1
86.09672	1.2
91.05447	6.7
93.07026	9.9
95.04947	4.4
95.08585	11.1
97.02900	0.8
99.04406	0.6
105.06329	1.2
105.07005	12.6
107.04913	0.7
107.08573	14.1
109.06490	3.3
109.10135	12.1
113.05995	5.5
115.07540	0.7
117.07005	3.2
119.08550	6.9
121.06450	1.2
121.10130	20.9
123.08050	2.0
123.11694	2.1
125.09592	1.2
127.03890	0.7
128.06203	0.9
129.06953	3.5
129.10214	0.6
131.08545	10.5
133.06450	0.7
133.10107	16.2
135.11665	4.5
137.09557	1.0
141.06996	1.0
142.07726	3.0
143.08554	7.1
143.10683	1.4
144.09311	0.7
145.10101	12.8
147.08012	0.9
147.11667	19.2
149.09572	2.0
149.13219	1.1
151.07487	0.8
151.11160	3.0
153.01793	1.0
155.08543	2.1
156.09325	1.0
157.10106	39.6
159.08003	0.7
159.11665	21.2
161.09544	0.9
161.13231	1.9
163.11166	2.4
169.10095	2.9
171.11659	11.1
173.13214	4.1
175.11148	10.0
177.12700	1.5
181.10011	0.7
182.10841	0.9
183.11649	4.0
185.13182	3.9
187.14789	1.4
193.08566	2.4
196.12459	1.1
197.13255	7.2
198.13905	0.7
199.14775	1.8
207.06569	0.7
209.13286	0.8
211.14795	8.0
212.15457	1.1
213.16353	2.9
223.14763	1.4
224.15575	1.8
225.16396	3.3
238.17163	1.6
242.16597	0.8
253.19481	61.2
254.19795	2.2
271.20520	100.0
272.20798	3.5
283.24121	1.6
355.08270	0.7
355.26282	11.4
356.26599	0.8
387.09540	1.1
395.29456	1.7
413.30457	35.7
414.30850	2.5
431.31604	7.8
432.16302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3153
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
53.03933	1.1
55.01845	2.0
55.05490	2.6
57.03424	0.7
59.04976	0.8
64.25728	0.6
67.05497	11.3
69.03400	0.8
69.07049	2.4
70.02480	3.4
71.04661	0.6
71.04986	6.7
79.05483	7.0
81.07045	9.5
83.08580	0.9
85.06537	4.5
89.05999	4.1
91.05460	6.4
93.07030	10.7
95.04957	6.7
95.08590	10.6
97.06516	1.8
102.13166	0.5
105.06329	1.0
105.07010	11.5
107.08579	14.1
108.08876	0.7
109.06491	3.4
109.10141	14.6
113.00146	0.5
113.05972	4.6
114.05214	0.5
117.07007	3.1
119.08573	7.8
121.06470	2.2
121.10122	19.6
123.08060	1.6
123.11668	2.1
125.09584	1.6
128.06139	0.9
129.06996	4.5
131.08539	10.7
133.10103	17.3
134.10410	0.7
135.11632	4.4
137.09575	1.3
141.06950	0.8
142.07779	4.7
143.08551	6.4
143.10652	0.7
144.09232	0.6
145.10098	14.4
147.11665	21.4
148.11995	1.0
149.09578	2.5
149.13264	1.3
151.11131	3.5
155.08510	2.4
157.10104	43.6
158.10440	0.9
159.11673	22.2
160.12024	0.6
161.09634	0.9
161.13231	2.1
163.11143	2.2
165.12714	0.8
167.10661	1.6
169.10040	4.3
171.11658	10.5
172.12106	0.9
173.13249	4.2
175.11153	8.8
176.11540	0.9
177.12732	1.2
179.10616	0.7
181.12177	0.8
182.10995	0.9
183.11641	5.5
185.13228	4.3
187.14830	1.3
195.11787	0.8
196.12607	0.7
197.13223	9.2
199.14819	2.4
209.13197	1.3
211.14771	8.2
212.15489	1.2
213.16406	2.8
215.18127	0.6
223.14769	1.0
224.15567	2.3
225.16287	3.4
227.17874	1.0
229.15889	0.7
231.17462	0.6
238.17113	1.7
253.19482	61.5
254.19649	3.2
271.20523	100.0
272.20883	4.7
283.24197	1.3
325.25177	0.8
343.26196	7.2
349.52859	0.6
355.26071	2.6
377.28366	0.9
395.29242	2.3
413.30438	44.5
414.30658	3.0
431.31549	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	431.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01858	2.1
55.05511	3.3
57.03410	1.2
57.07049	1.4
57.25880	0.5
57.65992	0.5
59.04967	0.8
65.03923	0.6
67.05491	13.9
67.54291	0.7
69.03420	1.0
69.06693	0.5
69.07044	3.4
70.94444	1.2
71.04985	5.3
79.05479	7.7
81.07043	11.3
81.77182	0.6
83.04958	1.4
83.08589	1.3
85.06534	5.9
89.06013	2.8
91.05462	7.8
93.07027	11.8
95.04955	6.9
95.08594	11.1
97.06519	2.3
98.20824	0.5
105.07012	12.4
107.08578	15.0
109.02854	0.7
109.06497	3.9
109.10136	13.7
111.08061	0.6
113.05972	4.6
117.06991	3.8
119.08559	8.6
121.06490	1.1
121.10124	20.0
123.08036	1.6
123.11681	2.2
125.09619	1.6
128.06168	0.7
129.07008	3.8
130.07703	0.7
131.08534	11.6
133.10112	17.2
135.08040	0.8
135.11664	4.7
137.09602	1.3
141.06956	1.2
142.07785	3.9
143.08545	7.1
143.10638	0.7
144.09297	0.9
145.10103	14.0
147.11665	20.2
149.09595	2.6
149.13229	1.8
151.11159	2.5
155.08548	3.4
157.10106	44.0
158.10451	1.2
159.11668	24.4
161.09581	1.3
161.13245	2.2
163.11157	2.4
165.09157	0.9
167.07060	1.1
167.10715	1.0
169.10129	3.5
171.11684	10.7
173.13252	4.8
175.11163	9.1
177.12686	1.8
181.12210	0.8
182.10864	1.1
183.11697	5.0
185.13269	4.2
187.14844	0.7
195.11737	0.7
196.12372	0.8
197.13220	8.9
198.14081	0.9
199.14763	2.0
201.16312	0.5
209.13266	1.3
210.14041	0.6
211.14784	7.7
212.15446	0.7
213.16313	2.0
223.14777	1.3
224.15501	3.0
225.16394	4.5
227.02155	0.5
238.17122	2.5
242.16684	0.6
245.19022	0.6
253.19482	61.6
254.19827	2.2
271.20523	100.0
272.20822	4.6
281.22723	0.7
283.24176	1.8
283.39224	0.6
343.26297	5.2
355.26318	4.5
395.29327	2.4
398.10995	0.5
413.30438	41.3
414.30688	1.9
431.22455	2.3
431.31635	5.6
432.32562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05499	2.7
57.03416	0.9
57.07066	1.2
59.04985	1.1
62.97325	0.6
63.49110	0.5
65.03915	1.1
67.05184	0.9
67.05495	10.9
68.59872	0.6
69.03423	1.2
69.07045	2.5
70.94503	2.0
71.04977	6.0
79.05483	5.7
81.07049	11.5
83.04961	1.1
83.08598	1.3
85.06517	2.7
88.86707	0.6
89.06020	4.3
91.05461	7.8
93.07023	11.3
95.04946	5.6
95.08591	11.7
96.84119	0.6
97.06497	2.3
99.63956	0.6
105.07018	10.4
105.20306	0.7
107.04961	0.7
107.08569	12.0
109.06517	4.0
109.10139	12.3
113.05976	4.3
115.05392	0.9
117.07028	4.0
119.08572	7.6
121.06472	1.9
121.10130	18.3
122.08235	0.7
123.08093	1.0
123.11707	1.5
125.09604	1.3
129.07001	3.2
131.08548	10.2
133.09102	0.5
133.10097	14.1
135.08017	1.4
135.11682	3.3
137.05928	0.8
137.09514	1.1
141.06987	1.0
142.07745	3.2
143.08540	7.7
145.10106	12.5
147.11653	19.0
148.50732	0.8
149.09584	2.4
149.13228	1.3
151.07582	1.1
151.11195	2.4
155.08522	2.7
156.09377	0.7
157.10103	36.7
158.10538	1.1
159.11671	21.9
161.09581	0.8
161.13268	2.1
163.11130	2.6
167.10696	1.5
169.10104	2.9
171.10344	1.1
171.11665	10.5
173.13234	4.9
175.11179	7.8
177.12709	1.6
178.03224	1.2
181.12170	1.1
182.10912	1.0
183.11691	5.7
185.13271	4.4
186.13942	0.7
187.14803	1.2
195.11629	0.8
196.12495	1.1
197.13214	7.7
198.13795	1.2
199.14778	2.1
201.12825	0.6
209.13135	1.1
211.14783	6.4
212.15521	1.5
213.16339	2.2
223.14778	1.5
224.15506	3.3
225.16273	2.8
238.17050	1.3
242.16687	0.7
251.18044	0.7
253.19479	60.5
254.19775	2.4
271.20526	100.0
272.20868	3.6
281.22934	0.7
283.24142	1.5
296.07443	2.2
328.09979	3.5
343.26242	10.7
349.07745	0.6
355.26273	1.6
356.09412	2.8
377.28189	0.9
385.12125	0.7
386.90842	0.7
395.29416	2.7
413.30450	45.4
414.30746	2.9
431.12766	2.1
431.31769	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	431.3151
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
55.01863	1.7
55.05494	1.2
57.03429	0.7
57.07056	2.0
65.03886	0.7
67.05147	0.6
67.05496	12.0
69.07052	2.0
71.04972	1.2
71.12897	1.7
72.08469	0.6
75.16029	0.6
79.05488	4.2
80.77518	0.6
81.07039	8.6
83.04951	0.7
85.06531	10.6
91.05452	5.2
93.07031	8.9
95.04955	5.0
95.08589	8.3
97.06550	0.7
97.10118	1.0
105.07015	7.2
107.08575	12.4
108.88663	0.6
109.06485	1.5
109.10133	9.8
110.66746	0.6
113.05975	5.6
117.06990	2.7
119.08549	5.3
121.10118	16.5
123.08076	1.5
123.11692	1.3
125.09536	1.0
129.06989	3.5
131.08545	6.9
133.10097	12.8
135.11658	4.1
142.07722	3.3
143.08519	5.3
143.10635	1.0
145.08968	1.1
145.10086	11.3
147.11662	16.3
148.12056	1.2
149.09558	1.7
149.13289	0.7
151.03886	1.1
151.11142	2.3
155.08511	2.1
157.10098	38.9
159.11665	18.6
161.13258	2.0
163.11151	1.9
167.10638	0.7
169.10075	2.2
171.11670	6.8
173.13297	4.1
175.11153	8.9
177.12738	1.6
179.03119	0.8
183.11624	4.9
185.13248	3.3
187.14723	0.9
196.12466	0.7
197.13206	6.3
199.14693	1.5
209.38805	0.7
211.14761	5.6
212.15250	0.7
213.16377	2.6
223.14708	1.1
224.15570	1.8
225.16389	3.4
238.17119	1.7
253.19478	51.7
254.19891	2.2
271.20517	100.0
272.20926	4.5
283.24161	1.6
320.56860	0.8
355.26212	9.6
395.29239	1.4
413.30435	37.6
414.30753	2.4
431.26849	0.9
431.31485	7.7
432.31711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
53.69132	0.7
55.01855	2.7
55.05497	3.2
57.03415	1.4
57.07055	2.0
64.98551	0.8
67.05493	16.3
69.03422	1.1
69.07059	2.8
69.11732	0.7
70.83942	1.8
70.84293	1.1
71.04980	2.3
74.25818	0.7
79.05480	5.8
81.03403	0.8
81.07040	9.6
83.04935	0.9
83.08582	1.1
85.06535	11.1
91.05448	6.2
93.07030	9.8
95.04958	5.3
95.08593	10.9
97.06490	1.1
97.10147	0.9
98.21037	1.4
105.07016	11.0
107.08578	13.8
109.02823	1.0
109.06505	2.5
109.10144	13.8
111.08053	0.8
113.05994	6.3
115.05413	1.0
115.07601	1.0
117.06989	3.1
119.08564	7.9
121.10131	18.5
122.10485	1.1
123.04404	0.9
123.08056	1.5
123.11681	1.9
125.09636	1.1
128.06189	1.0
129.06993	3.8
129.25816	0.6
131.06995	0.9
131.08546	10.5
133.10110	16.9
134.10458	0.8
135.11673	4.1
137.06007	0.8
137.09602	1.1
141.06993	1.9
142.07780	3.7
143.08559	7.3
143.10625	1.6
145.10110	12.9
147.11667	19.4
148.12006	1.1
149.09651	1.6
149.13235	1.5
151.07512	0.8
151.11157	3.1
155.08501	2.7
157.10103	38.2
158.10364	1.1
159.11676	21.1
161.09543	0.7
161.13251	3.8
163.11160	2.2
165.09108	2.0
166.09389	1.0
169.10063	3.1
171.11682	11.5
173.13239	4.5
175.11147	9.3
175.14769	0.8
179.10687	1.3
180.11058	0.9
182.10947	0.8
183.11674	5.3
185.13228	5.1
186.13594	0.7
197.13219	8.5
198.13969	1.0
199.14799	1.4
209.13263	1.0
211.14772	5.6
211.16570	0.8
212.15404	1.1
213.16367	3.0
223.14780	1.2
224.15364	1.5
225.16368	4.4
238.17043	1.3
251.17769	0.9
253.19490	57.9
254.19902	3.4
255.21021	1.1
261.14319	0.8
271.20532	100.0
272.20859	6.1
273.22131	1.4
283.24173	1.7
355.26282	9.7
395.29114	2.9
413.30426	41.5
414.30652	4.1
416.16760	0.8
431.22012	0.8
431.31610	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	431.3152
Annotation	Nuatigenin
Peak:m/z	Relative Intensity
51.24724	0.4
52.66515	0.5
53.03949	0.6
55.01854	2.1
55.05489	2.0
57.03415	1.0
57.07052	1.9
65.03895	0.6
67.05495	13.0
69.03410	0.6
69.07042	2.1
70.82051	0.6
70.82411	1.8
71.04984	0.9
79.05473	5.2
80.97818	0.5
81.07035	7.9
83.04940	0.7
83.08593	1.3
85.06523	10.1
87.05573	1.9
91.05454	5.3
93.07031	9.4
95.04946	4.1
95.08593	8.8
97.06485	1.3
97.10123	0.9
104.56539	0.5
105.07011	7.7
107.08575	11.9
109.06495	2.3
109.10138	11.4
111.08100	0.8
113.05979	5.0
115.05448	0.6
115.07501	0.7
117.07001	2.4
119.08549	7.0
121.10123	16.5
123.08025	1.7
123.11676	2.5
128.06194	0.9
129.06973	2.1
131.08537	8.8
133.10095	14.0
134.10362	0.6
135.11621	3.0
137.09525	0.7
141.06943	1.0
142.07782	3.3
143.08525	6.0
143.10591	1.1
144.09328	0.6
145.10100	10.1
147.11664	18.2
149.09610	1.6
149.13187	1.3
151.07529	1.0
151.11174	2.8
155.08521	1.7
157.10104	34.7
158.10489	1.2
159.11673	20.9
160.12012	1.1
161.09624	0.8
161.13231	2.6
163.11163	1.9
169.10075	2.1
171.11652	6.8
173.05508	0.5
173.13258	4.3
175.11145	6.1
175.14774	0.8
177.12688	0.8
181.09990	0.8
183.11679	3.6
185.13263	3.3
186.13962	0.7
187.14917	0.6
197.13217	7.1
198.13776	0.7
199.14763	2.1
201.16078	0.6
209.13223	1.2
211.14796	7.2
212.15567	0.7
213.16391	2.3
216.69731	0.5
223.14839	1.3
224.15585	2.4
225.16353	2.8
238.16994	1.2
253.19473	50.2
254.19852	2.8
255.20448	0.8
271.20511	100.0
272.20840	5.4
273.21609	1.5
283.24194	1.5
355.26224	10.8
359.27048	0.8
395.29337	1.5
413.30441	38.0
414.30701	2.3
431.31451	9.6
449.88052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01848	2.3
55.05512	3.3
57.03414	1.9
57.07062	2.4
64.44971	0.7
65.03909	1.1
67.05143	0.9
67.05495	16.6
69.03419	1.1
69.07062	3.4
70.06556	1.7
71.04961	2.0
71.68068	0.6
79.05478	6.6
81.07038	10.0
83.04961	1.7
83.08610	1.1
84.08092	1.0
84.34887	0.6
85.02885	2.0
85.06533	12.1
86.09676	1.3
87.12413	0.6
91.05437	8.0
93.07028	10.9
95.04951	6.0
95.08588	12.2
97.02860	1.2
97.06514	1.0
97.10141	1.5
99.04447	0.7
105.07014	10.7
107.02026	0.5
107.04930	1.2
107.08575	12.1
109.06503	3.1
109.09415	0.8
109.10137	13.1
111.08034	1.7
113.05981	6.8
115.07561	0.7
117.07005	3.8
119.08572	6.3
121.06471	0.9
121.10123	20.5
122.10464	0.7
123.04388	1.0
123.08035	1.9
123.11697	3.0
125.09602	1.3
127.03890	0.8
128.06210	1.0
129.06985	3.6
131.08540	10.2
133.06412	0.6
133.10095	16.5
134.10490	0.6
135.07993	0.8
135.11656	4.2
137.05960	0.9
137.09579	0.8
141.06898	1.3
142.07745	4.2
143.08531	7.9
143.10612	1.3
145.10103	12.4
147.07945	0.7
147.11664	18.6
148.11992	0.7
149.09595	2.3
149.13219	1.6
151.07561	0.8
151.11131	2.7
153.01762	0.7
155.08510	2.3
157.10100	37.8
158.10545	1.1
159.11676	22.2
161.05942	1.0
161.09593	1.3
161.13211	2.7
163.11160	2.3
165.12721	0.7
167.07053	1.2
167.10655	0.8
169.10091	2.8
171.11644	9.1
173.13266	5.8
175.11143	8.0
175.14877	0.8
177.12729	1.7
181.10118	0.7
183.11607	5.2
185.13223	4.1
187.14812	1.1
193.08563	2.2
197.13216	8.1
199.14745	1.8
201.16394	0.7
209.13184	0.9
211.14818	7.6
212.15614	1.0
213.16327	2.0
223.14859	1.4
224.15590	2.5
225.16327	3.9
238.17087	1.9
242.16698	0.6
253.19475	53.0
254.19806	2.1
266.61807	0.6
271.20523	100.0
272.20877	4.7
283.24133	1.7
340.81055	0.6
344.62375	0.6
355.26282	13.0
356.26498	0.8
360.76666	0.6
371.12134	0.7
387.09805	0.6
395.29446	1.7
399.11633	1.0
403.07782	0.8
409.84677	0.9
413.30453	39.3
414.30798	3.6
431.14633	0.7
431.31699	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	431.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.8
57.07067	26.6
67.05489	6.1
69.07055	11.8
70.85971	8.6
71.08618	16.6
81.07059	10.5
81.13988	4.0
83.04971	4.9
85.10149	8.6
93.07005	7.4
95.08602	9.8
97.10152	6.8
98.81010	4.3
100.89117	4.5
109.06499	4.5
119.52272	4.5
123.08054	7.7
137.05952	14.6
139.07527	4.4
151.07527	42.3
161.05908	7.3
165.05466	14.7
165.09113	11.9
167.07018	100.0
167.79059	4.4
177.09145	5.7
179.07028	7.4
179.10535	5.2
181.08583	7.5
189.09061	9.2
193.08607	13.8
203.10638	6.8
207.10185	13.1
217.12138	6.3
221.11671	10.9
257.41446	4.0
304.64496	3.9
413.34174	5.7
431.35071	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	432.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	2.2
57.07082	0.9
59.43437	0.8
69.03398	1.2
70.06580	3.9
70.09231	4.2
72.08118	0.8
79.05481	1.6
80.05023	1.1
81.03396	3.0
81.07058	1.0
84.08083	0.9
84.87122	0.9
85.02919	1.0
91.05482	1.5
93.07045	1.0
94.06548	1.4
95.82272	0.8
96.08105	1.0
98.84940	0.9
103.05480	1.0
105.06962	0.9
106.06535	5.2
108.08103	1.8
108.24758	0.8
109.02866	13.8
109.77353	0.8
110.06014	2.3
117.07029	1.3
119.08599	1.2
122.06008	4.5
124.07559	4.6
129.06975	1.8
131.08534	2.4
134.05995	22.8
136.07556	4.3
141.06927	1.3
143.08527	2.5
145.10085	1.4
152.07048	37.9
156.06558	2.8
157.10121	3.9
159.08012	2.4
159.11620	1.2
161.09546	2.0
162.09177	1.3
167.08572	9.5
169.10135	3.8
170.82362	0.9
180.06526	27.2
181.10101	1.1
185.09618	9.9
187.11143	1.4
203.10724	1.6
207.11775	1.3
210.02194	11.8
213.09154	1.0
223.11143	1.8
231.10112	2.8
249.11209	2.3
252.03165	1.1
266.15479	2.5
270.04288	12.8
270.07574	4.7
276.13770	2.6
278.15414	1.2
294.14883	3.6
296.16476	1.2
312.15945	4.6
322.14301	7.3
340.15381	18.0
341.15988	1.2
358.12207	0.8
358.16428	14.4
368.14804	3.6
386.15909	52.1
387.16290	3.7
404.16910	14.0
414.15704	2.0
432.16467	100.0
433.16803	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	433.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58945	0.4
53.17291	0.3
54.09282	0.4
56.05016	1.3
58.06591	0.4
60.03238	0.4
70.06554	0.8
70.29055	1.4
72.08119	0.5
73.11531	0.4
74.06029	0.3
75.80704	0.3
80.04980	1.4
82.02896	0.4
84.04468	0.5
84.08131	4.1
84.61485	0.3
86.09677	0.5
94.06547	0.3
95.04956	0.6
96.04477	0.6
105.06979	0.6
107.04898	0.6
108.04462	4.5
110.05999	1.1
117.06958	0.5
122.85411	0.4
123.04409	7.5
127.12290	1.7
135.04340	0.3
135.09131	2.7
135.26205	0.4
136.09941	2.2
137.02338	1.0
137.07062	2.0
137.10779	0.4
138.07849	0.8
139.03883	0.5
139.08623	1.1
143.08574	0.7
147.04387	2.0
148.07492	0.6
149.07109	0.4
150.07858	0.7
151.08664	2.3
157.10085	0.6
159.04427	0.6
159.08023	0.5
161.05931	0.5
161.09613	0.5
163.03899	1.0
163.08641	14.0
164.09430	32.1
165.10208	9.1
167.08530	1.4
169.03023	0.4
169.10152	0.5
171.04393	0.7
179.08203	0.8
185.09583	0.6
187.03893	0.6
197.05949	0.5
199.03909	1.2
200.04492	0.4
201.05440	0.4
203.03389	3.6
203.07109	0.6
213.05336	0.5
227.03391	0.6
231.10179	0.5
233.04460	0.7
237.00627	0.4
237.05470	0.5
237.72728	0.4
249.10991	0.5
253.05061	0.9
255.06592	0.9
268.13364	0.5
269.04349	0.4
269.47287	0.5
271.05920	1.3
273.02716	0.5
281.04437	0.6
296.12881	1.1
314.13812	2.6
323.05408	0.5
332.14807	1.5
341.18472	0.5
359.09064	1.1
360.14398	5.4
363.08517	0.6
371.19431	1.4
372.14108	0.7
387.08630	2.3
387.19208	4.2
391.08051	2.5
405.09579	0.8
415.18567	100.0
416.18704	4.0
433.09369	4.4
433.19708	5.7
434.09351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.4
55.01873	9.5
55.05505	36.1
57.03429	8.1
64.92032	1.2
65.03928	5.0
67.05492	38.9
69.03423	8.6
69.07058	14.1
70.95077	4.1
71.04993	4.0
79.05481	46.4
81.03398	7.9
81.07042	40.0
83.04965	5.9
83.08606	14.4
85.02869	2.2
85.06528	3.3
87.04459	1.3
91.05464	43.8
91.06038	2.2
93.07027	37.8
94.07385	1.8
95.04954	32.3
95.08587	19.4
97.02845	1.8
97.06543	3.9
97.10158	21.3
99.04385	1.6
103.05450	3.7
105.03374	2.9
105.07008	35.8
107.04937	15.3
107.08577	23.7
109.02853	3.9
109.06513	7.8
109.10152	11.4
111.04407	2.1
111.08086	2.3
115.05453	4.7
117.07009	20.0
119.04926	4.0
119.08551	16.5
121.06478	19.9
121.10131	17.7
122.10477	2.1
123.04356	1.9
123.08045	7.7
123.11695	3.8
125.09612	18.6
127.03875	2.6
128.06239	5.4
129.05438	2.5
129.06985	25.1
130.07820	1.8
131.04907	13.4
131.08549	35.3
133.05580	1.6
133.06450	10.1
133.10095	11.8
135.04434	2.8
135.08029	10.3
135.11690	3.8
137.05960	3.3
137.09639	1.7
141.06953	8.6
142.07716	2.2
143.04953	2.0
143.08521	16.5
145.06451	23.1
145.10106	14.9
147.04492	1.8
147.08014	8.0
147.11693	5.3
149.09598	25.4
151.07462	1.9
151.11192	2.6
153.09137	3.2
154.07748	2.5
155.08508	9.6
157.06456	5.1
157.10101	10.3
158.07047	1.7
158.10451	1.6
159.08066	7.8
159.11673	11.8
161.09619	4.9
161.13200	4.4
163.11154	6.8
165.06969	1.9
167.07178	2.6
167.08540	6.3
168.09294	1.5
169.10083	13.6
170.07233	1.3
171.08026	5.2
171.11681	18.1
173.09569	8.5
173.13237	3.8
175.11203	5.1
177.12778	4.4
179.08528	4.4
181.06508	1.4
181.10071	3.3
183.08031	1.7
183.11668	6.4
184.08867	1.9
185.09579	4.7
185.13187	2.8
187.11174	9.8
189.09096	4.1
189.11203	11.5
189.12761	11.6
193.10204	1.9
193.12149	2.2
195.11650	5.0
197.09579	4.2
197.13173	2.4
199.11200	3.7
201.12741	2.7
203.10628	2.5
203.14345	2.2
205.10420	1.6
205.12108	6.6
207.11678	2.7
209.13232	3.6
211.11203	6.0
211.14865	1.5
213.12711	5.2
215.10680	3.4
217.12289	2.0
221.13321	2.3
223.13293	5.8
225.12724	5.5
227.12746	5.5
229.12227	5.5
231.13863	3.9
239.14330	2.2
241.15924	1.5
243.13855	5.6
245.13550	1.6
249.14915	2.2
253.19513	5.7
254.19873	2.4
255.20158	2.5
257.15311	2.9
261.14923	2.1
267.15912	3.8
271.20450	2.1
272.20935	4.0
273.14847	4.6
273.21356	3.6
295.20602	4.5
305.18881	1.5
313.21597	8.5
323.20020	26.0
335.18607	2.1
341.21066	100.0
342.21381	2.1
359.22192	11.1
377.23477	2.2
379.22739	2.3
397.23785	3.0
415.24802	33.9
415.30716	4.7
416.25241	1.9
433.25809	63.4
433.31448	3.0
434.26093	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	433.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20439	0.8
55.05486	3.7
57.03429	4.1
60.40746	0.8
66.87737	0.9
67.05487	4.5
69.07067	4.3
69.63536	7.7
71.31305	0.8
79.05478	3.1
81.07051	4.8
83.08591	2.2
93.07046	2.0
95.08612	4.3
95.92770	0.8
97.10145	2.0
107.08575	1.3
109.10172	1.9
111.11680	1.2
113.00002	100.0
121.10107	1.3
128.70113	0.8
135.11668	1.3
154.02588	1.3
169.02594	88.8
226.01561	0.9
240.10448	0.9
251.93723	1.0
265.25171	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	78.7
61.02930	1.0
65.03931	1.4
69.03407	3.2
70.06577	0.8
70.24496	2.5
70.98120	1.1
71.95247	1.0
74.97598	0.9
79.05470	0.9
81.03360	0.9
81.39831	0.8
81.59172	0.8
84.08121	3.4
84.08575	0.8
84.96008	6.9
85.02882	6.1
88.99151	1.4
89.03896	4.2
92.04996	6.6
93.05798	1.1
94.06550	1.6
95.04945	1.5
97.02883	2.0
98.97562	6.8
102.05423	0.9
102.97064	1.8
107.04945	2.0
110.05249	1.0
110.06014	18.4
110.97550	1.2
116.98608	5.0
117.03368	4.9
118.00986	0.7
119.01881	2.4
121.06483	3.3
123.04411	1.3
124.99123	2.9
126.06611	0.8
127.00703	2.0
127.03888	2.3
128.98590	1.8
130.93283	6.0
131.00102	1.6
134.99663	2.4
135.04376	10.5
136.04741	0.9
138.09157	1.1
139.03896	2.7
141.02281	1.4
143.00143	13.0
145.01677	3.1
145.02837	5.3
145.04958	0.8
146.99611	3.9
147.04373	1.5
148.94377	1.2
149.01192	1.7
152.98579	2.3
154.93291	1.4
157.02669	1.0
158.99641	1.4
159.03256	2.5
161.01201	17.0
163.02507	2.3
163.03868	43.3
164.04242	2.5
165.00702	2.3
166.01794	0.8
167.00166	2.2
168.98073	1.0
169.01729	3.1
170.99612	12.2
172.94406	4.4
172.97607	0.9
172.99150	0.8
174.95860	1.0
175.00604	3.9
177.00725	1.9
179.00073	0.9
179.02217	2.4
184.00450	1.0
184.02815	1.7
185.01149	6.1
186.99190	5.8
187.00735	1.1
187.02702	4.2
189.00681	21.9
189.02002	0.8
189.47011	0.8
190.95383	10.4
191.00107	1.2
193.01645	8.2
194.01375	0.9
194.99670	1.2
197.01147	1.1
198.99234	1.1
200.98720	2.4
203.02130	4.1
204.96956	1.7
205.00089	4.2
205.01909	1.8
205.03659	0.9
207.00011	1.0
207.01784	3.3
208.96451	3.4
209.01144	7.7
211.02763	11.4
213.00639	4.4
214.95393	1.7
215.00330	1.7
217.00327	0.9
218.99687	9.0
219.01770	2.7
221.01265	1.5
221.03276	1.9
222.97925	1.4
223.02815	4.2
225.00650	1.4
227.02296	1.9
228.02034	1.0
229.03786	2.9
230.03326	1.1
231.01697	4.4
232.96400	7.8
233.01297	2.4
233.96724	1.2
237.00668	48.6
237.02721	3.9
238.01053	2.1
239.02159	1.1
249.00592	1.0
249.02811	2.6
250.97478	3.7
251.02249	5.9
255.01715	67.8
256.02130	1.6
257.04279	1.2
260.02237	2.3
261.00464	0.9
267.03891	1.8
269.03238	7.7
272.11185	11.3
273.02759	66.6
274.03110	1.1
278.03339	3.1
279.01379	1.8
279.04092	1.6
285.04614	1.2
287.04532	1.8
290.97015	1.2
296.04434	2.7
297.02664	2.7
300.95386	1.4
302.97034	1.3
305.03333	2.0
310.92596	1.0
311.02237	2.8
313.95547	1.4
315.01630	5.3
318.96362	1.5
323.04321	6.7
329.03223	2.1
331.04919	2.4
332.06854	0.8
333.02884	4.3
341.05475	1.6
342.96399	3.0
344.97903	1.7
347.04327	5.6
349.01944	4.1
349.05975	3.2
357.02670	1.1
360.97318	4.3
365.05368	3.7
367.03119	5.9
373.97690	2.1
375.03723	6.1
377.03741	1.0
378.98129	1.2
379.05841	1.0
383.06601	1.0
391.98920	0.9
392.99951	1.4
393.04785	11.5
395.04849	1.5
411.05914	28.9
412.06155	2.2
429.06995	100.0
430.07217	5.1
434.07462	2.5
435.07266	3.3
447.07907	3.6
452.08655	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	434.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	81.6
61.80928	0.9
68.76470	0.8
69.03421	1.0
70.06579	1.5
70.40154	4.1
74.97600	2.1
77.03893	0.9
84.08131	8.6
84.96037	6.7
85.02880	4.0
85.08456	1.4
88.99135	1.2
89.03918	6.2
95.04972	1.1
97.02867	1.1
98.97586	6.0
102.97039	1.6
107.04949	2.5
108.76550	1.2
110.06024	1.1
110.07127	1.0
110.97578	1.1
116.98595	4.1
117.03378	4.9
119.04923	1.2
121.06477	6.0
123.01166	1.1
123.04408	3.4
124.99136	2.5
127.00671	1.5
127.03900	2.7
127.12306	3.4
128.12642	1.3
128.98589	2.3
129.10197	0.9
131.00127	1.1
134.99625	1.6
135.04385	10.3
138.09158	1.7
139.00644	1.0
139.03902	4.2
141.02223	1.0
143.00133	11.6
145.01712	2.6
145.02829	5.7
146.99635	5.2
147.04411	2.5
149.01154	1.9
151.03902	1.3
152.98615	2.7
157.01714	1.3
158.99663	3.7
159.03279	3.4
161.01213	21.3
163.03885	48.5
164.04214	2.9
165.00690	3.1
169.01683	2.0
170.99619	12.5
174.99179	0.9
175.00676	2.5
175.02866	1.0
177.00732	2.4
179.00235	0.9
179.02223	2.8
184.02895	1.3
185.01225	6.2
186.99126	4.9
187.02821	4.5
189.00688	26.8
190.95430	1.0
190.98575	1.9
191.00143	1.5
193.01703	6.3
194.01303	1.0
197.01140	1.4
200.98688	2.3
203.02135	5.1
205.00160	6.5
206.99815	1.2
207.01787	3.7
208.96448	0.9
209.01199	7.6
211.02756	9.5
212.02299	1.3
213.00636	4.8
217.00117	1.6
218.99652	8.0
219.01517	1.3
221.01181	1.6
221.03151	2.0
223.00974	1.3
223.02782	3.1
225.00726	1.5
227.02234	2.8
229.03708	3.8
231.01785	5.2
233.01216	3.3
237.00673	56.4
237.02504	2.2
241.03891	1.1
249.00592	1.8
249.02812	2.9
251.02243	6.4
255.01729	71.1
256.02286	1.8
257.04355	2.4
260.02307	3.1
267.01520	1.0
267.04053	1.0
269.03290	7.5
273.02780	65.5
274.03256	1.7
278.03345	5.3
279.01752	3.3
287.01959	1.3
287.04758	1.3
291.03946	1.3
292.04907	0.9
296.04321	3.3
297.02789	2.6
305.03308	2.9
309.08563	1.6
311.02124	3.7
315.01422	4.5
323.04285	7.2
329.03296	2.3
331.01138	1.9
331.04855	3.0
333.02588	4.1
341.05524	1.2
347.04352	7.7
349.02124	3.7
349.06131	2.6
365.05420	5.0
367.03259	6.4
375.03964	6.9
379.05255	2.1
393.04861	10.9
411.05914	31.5
412.06110	1.6
429.07010	100.0
430.07367	4.0
434.07303	4.4
435.07230	5.9
447.08102	4.9
452.08533	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	435.0916
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03433	6.8
61.02934	2.6
61.03185	0.5
68.99802	0.5
69.58648	3.5
69.59054	1.1
73.02905	12.5
78.86102	0.4
81.03416	0.5
84.45480	0.4
85.02879	0.7
98.20707	1.0
109.02840	0.5
111.00763	1.2
115.03911	0.7
121.02852	1.1
137.02316	3.9
153.01802	4.3
163.03880	1.3
165.01807	2.2
183.02844	0.9
201.05432	2.2
215.03503	0.6
229.04970	5.1
247.05975	0.9
250.74788	0.4
257.04413	3.4
274.04706	0.7
285.03952	1.3
294.25531	0.5
299.81262	0.5
303.04953	100.0
304.05261	3.0
362.09735	0.7
372.14346	3.6
390.15521	0.6
400.14008	1.7
418.15109	1.0
425.99426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2735
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03938	3.9
55.01851	2.5
55.05502	14.0
57.03417	2.3
57.07058	1.2
59.04993	4.0
63.00322	0.6
65.03939	3.1
67.05491	100.0
68.05827	0.8
69.03426	0.9
69.07056	7.1
70.02385	3.9
71.04976	3.5
73.06543	1.0
77.03913	1.0
79.05476	36.1
81.03390	5.1
81.07041	31.8
81.07530	0.9
83.04965	6.8
83.08604	6.8
85.06512	3.1
87.04449	1.1
91.05460	33.2
92.43509	0.7
93.07024	28.5
95.04945	11.0
95.08585	16.9
97.06497	3.6
97.10170	0.9
99.08050	1.0
105.04561	0.7
105.07003	20.6
107.04921	3.4
107.08576	10.4
108.19238	0.9
109.06496	4.0
109.10136	56.8
110.10477	0.9
111.08071	2.9
115.05362	0.9
117.06984	5.2
119.08548	13.9
119.09396	0.8
121.06499	1.8
121.10133	2.8
123.08044	1.9
127.07497	0.8
127.11209	0.9
128.06152	1.4
129.06978	7.7
131.08548	2.3
133.06505	1.0
133.10120	6.0
135.11668	0.7
137.09607	3.2
138.38847	0.6
143.08522	4.4
145.10126	5.9
147.08047	1.4
147.11658	17.7
155.10678	2.3
157.10133	0.7
159.11731	0.7
161.09604	2.8
161.13220	7.1
167.07002	6.2
169.10112	0.8
171.11658	12.0
172.12000	0.8
173.11713	14.6
189.12752	4.7
193.54901	0.7
204.71271	0.8
206.65967	0.7
207.13747	14.8
207.15576	0.9
225.14813	2.1
250.31932	0.7
270.54626	0.6
295.58502	0.7
435.27347	39.0
436.27676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
59.06111	2.2
60.04515	8.5
67.05486	1.9
69.03418	2.5
70.06588	1.0
71.69959	1.5
74.06068	2.2
76.03991	8.3
79.05463	3.0
81.03401	2.0
85.02870	1.3
85.77797	1.1
88.49910	1.1
91.05453	5.2
93.07020	2.0
95.04960	2.7
97.02883	3.6
100.03947	2.6
105.07035	3.1
107.04955	3.8
107.08562	1.2
110.06017	1.5
111.04441	1.8
115.05447	1.7
117.06992	2.3
119.04951	2.6
119.08611	1.1
123.04404	10.1
124.03923	2.1
125.02356	2.0
125.05941	1.3
127.03928	1.4
129.07013	1.6
130.71729	1.1
131.08578	4.3
133.02843	1.2
133.06523	1.2
133.10095	1.2
135.04378	2.7
141.06955	2.5
142.05017	2.5
143.08508	7.3
145.06508	1.4
145.10065	2.2
147.04424	2.9
149.06009	1.1
149.95462	1.0
151.03894	4.0
155.08543	3.5
157.10063	7.9
159.08012	5.4
159.11710	1.5
161.05940	1.9
161.09572	5.6
165.07083	1.7
167.08531	15.2
169.10132	6.4
171.08084	1.5
173.09656	1.1
179.08456	1.8
181.10112	2.8
183.08029	1.1
185.09584	19.9
187.11151	4.1
193.10118	2.8
195.08038	1.8
195.11694	3.1
197.09579	1.5
199.11226	1.8
203.10687	3.6
207.11774	1.2
211.11238	2.2
213.09032	2.3
221.09697	1.5
223.11230	2.4
231.10103	7.4
239.10599	3.0
249.11206	18.8
251.10701	2.5
257.11816	1.9
261.10834	1.1
269.11716	2.7
271.13278	2.4
289.10706	1.8
297.11282	3.0
303.12308	4.9
303.15634	1.7
307.11749	3.1
313.10638	1.2
315.12125	6.2
321.13419	1.6
330.13159	5.4
331.11954	5.8
332.15039	3.4
333.13284	3.7
343.11737	2.2
347.02017	1.6
347.14801	3.9
348.14398	1.8
349.12735	9.9
358.12930	2.7
360.14395	2.1
372.14386	4.7
375.14337	53.5
376.14069	4.8
377.12289	5.6
380.56409	1.2
386.15961	5.7
390.15662	1.3
395.13785	1.8
400.13965	6.5
404.16925	1.4
418.14993	3.8
436.16000	100.0
437.16287	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	436.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
59.63710	1.2
67.05495	6.4
69.03404	4.3
70.06599	1.4
70.29668	2.2
70.30068	5.6
79.05487	3.1
81.03398	7.2
81.07053	3.0
84.04506	1.4
89.09548	1.3
91.05451	10.5
93.03403	2.2
93.07015	3.2
95.01292	3.3
95.04944	8.8
95.08588	2.2
97.02914	1.4
105.03351	6.7
105.06992	9.0
106.56928	1.6
107.04922	4.7
107.08586	1.8
109.10176	2.0
111.04465	1.6
115.05434	2.6
117.07005	7.3
119.04870	3.3
119.08560	4.9
121.02847	5.4
121.06471	7.1
123.04395	5.9
128.06201	3.0
129.06982	15.3
130.07716	2.6
131.04898	3.8
131.08549	15.1
133.06491	4.3
133.10069	6.0
134.10478	1.4
139.03856	4.0
141.05424	4.3
141.06947	6.4
142.07761	4.8
143.08524	11.0
145.06474	5.9
145.10088	18.5
147.08054	3.6
149.05968	2.9
151.03889	1.8
153.06969	5.5
154.07747	2.0
155.08533	20.5
157.06413	6.4
157.10075	10.6
158.07233	2.6
159.04448	1.5
159.08049	11.8
160.08746	1.5
161.05954	3.1
161.09602	8.3
165.06981	5.2
166.07613	1.6
167.07117	2.4
167.08511	14.4
169.06375	1.8
169.10100	3.2
171.08038	10.8
171.11694	1.5
173.05917	3.8
173.09581	18.2
175.07523	6.9
175.11145	7.9
177.09169	2.0
178.07825	1.4
179.07024	1.9
179.08522	4.6
181.05031	1.4
181.06483	6.0
181.10056	2.3
182.07132	2.2
183.08023	25.0
184.07281	1.6
184.08792	1.9
185.09587	7.5
187.07581	1.9
189.09123	3.3
191.10641	3.5
193.09935	2.1
193.67654	1.6
195.08029	2.0
195.11647	2.4
197.09570	8.8
199.07524	11.4
199.11197	9.3
201.09050	17.6
203.06926	2.3
203.10634	51.8
204.10965	1.5
205.10191	2.9
207.08008	2.0
208.08717	1.4
209.09515	1.7
211.07571	3.0
212.72284	1.4
217.08511	4.1
219.10132	5.4
221.09669	3.5
223.11171	3.2
225.09064	5.9
227.06970	2.7
229.08549	3.4
233.09605	3.4
236.08344	2.6
243.10136	3.2
245.08020	4.0
247.09605	4.8
249.09265	1.9
251.10667	4.4
263.09140	6.9
267.10199	5.5
269.11914	2.2
285.11380	2.1
291.08545	13.8
295.09674	3.1
309.09625	69.6
310.10184	2.0
313.10666	6.2
331.11646	14.2
332.11652	1.6
333.13342	1.9
359.11191	100.0
360.11752	2.1
376.13800	10.5
436.16522	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	436.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
60.04503	3.3
67.05502	1.9
67.07570	1.1
69.03410	1.4
69.57742	2.3
69.58084	12.7
70.06572	2.9
74.06061	8.4
74.09721	1.5
75.05579	4.1
76.03987	12.8
79.05483	3.4
81.03401	2.5
82.32353	1.3
85.02890	2.5
91.05459	4.8
93.06992	2.0
95.04949	2.2
97.02950	1.4
97.06536	1.6
105.07018	3.8
107.04920	2.3
107.08616	1.8
109.02871	5.0
117.07002	3.3
119.04913	3.6
119.08596	2.6
120.08022	1.4
121.06437	2.1
123.04391	5.3
127.03787	1.7
129.06961	2.6
131.08553	3.5
133.06497	1.9
133.10120	3.1
135.04422	2.3
141.07011	2.9
143.08540	5.4
145.10083	2.3
151.03871	3.2
155.08514	3.4
157.10112	5.7
159.08076	5.3
159.11603	1.8
161.05989	2.1
161.09607	6.4
167.08533	12.3
169.10114	3.8
171.08025	2.2
173.05916	1.5
181.10138	3.1
183.11729	1.8
185.09546	12.7
187.11151	4.1
193.10146	2.0
195.11688	4.1
197.09633	1.8
203.10667	2.8
206.09367	2.2
211.11130	1.9
223.11145	3.0
225.12726	1.7
227.10942	1.3
227.63264	1.4
231.10213	6.6
241.12202	3.3
249.11269	11.0
251.10622	7.2
257.11722	1.3
269.11652	2.8
271.13275	3.1
287.12686	2.9
291.66846	1.5
297.11234	5.2
301.14307	1.8
303.12527	2.4
303.15872	3.1
315.12262	9.3
323.05447	1.7
330.13196	1.5
333.13239	5.5
343.11600	1.9
347.14685	8.4
349.12750	3.7
360.14224	1.5
375.14337	100.0
376.14676	7.8
377.12262	2.8
386.15955	10.1
388.62485	1.5
400.13632	1.8
400.24219	1.4
436.15982	31.3
436.21780	2.9
437.16086	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	436.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35220	1.9
54.36882	1.7
55.49183	1.6
59.03722	2.4
60.04500	5.9
67.05476	1.9
68.16283	1.8
69.07052	2.0
69.37337	21.4
70.06571	3.1
70.34260	1.7
70.68346	1.6
74.06056	4.0
74.16053	1.8
76.03993	12.9
79.05457	3.9
81.03406	3.0
85.02903	3.7
86.09689	2.5
91.05450	6.3
91.66513	1.7
93.07027	2.9
97.02867	2.4
105.06986	4.1
107.04911	4.0
109.02860	4.6
109.06519	2.5
109.76911	1.7
115.92202	1.7
117.07030	3.1
119.04943	2.7
123.04396	5.9
126.02724	1.7
129.06972	3.3
130.32254	1.7
131.08589	2.2
133.06450	2.9
133.10065	2.1
141.07021	1.9
142.04984	2.2
143.08536	6.5
145.10075	3.7
151.03802	2.1
155.08623	2.5
157.10075	6.7
159.08023	7.1
159.11655	1.9
161.09648	3.1
167.08548	13.1
169.10123	4.5
171.08072	1.9
183.11716	1.9
185.09596	14.3
187.11177	2.5
195.11679	4.2
203.10574	2.4
205.10138	3.3
209.09656	3.1
211.11131	2.5
213.09055	2.1
223.11108	3.5
231.10158	6.8
239.10541	1.9
249.11220	12.4
251.10696	3.7
269.11444	3.6
271.13324	4.4
297.11105	3.9
303.15659	4.0
315.12234	7.7
331.11707	4.5
332.14694	2.1
333.13245	8.1
343.11646	2.5
347.14847	9.7
349.12723	3.3
353.67996	1.8
358.12625	2.4
375.14304	100.0
376.14441	6.3
377.11954	2.1
386.15887	7.7
391.62915	1.8
400.13757	2.2
404.17001	4.4
436.15942	40.3
436.21808	3.3
437.16357	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	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01863	8.5
55.05492	9.8
57.03416	10.0
58.79330	3.3
61.02901	7.4
67.05480	3.6
67.45306	3.2
69.03417	33.6
69.45147	4.1
69.45557	28.1
70.06574	8.7
71.04984	9.3
73.02904	21.3
74.09686	4.1
79.05473	7.4
81.03418	22.8
81.07030	12.0
81.11205	3.3
83.05004	3.2
83.08608	38.9
84.08125	3.9
85.02893	100.0
87.00809	46.5
91.05458	6.4
93.07029	12.1
95.04919	3.2
95.08590	13.0
97.02877	51.7
99.04430	13.4
105.01854	78.4
105.06979	7.5
107.04912	3.4
107.08603	16.3
109.02858	27.2
109.10163	4.9
119.08614	3.4
127.03896	83.3
135.11697	13.2
137.13231	4.8
145.04956	41.6
152.06895	3.4
153.12752	4.9
159.02876	13.0
173.04439	5.7
230.05284	3.4
231.05016	24.6
234.58931	2.8
249.05981	11.9
274.12549	3.9
299.10037	4.0
303.04953	26.1
304.05261	61.1
305.05606	7.9
327.09528	5.6
342.25974	3.5
364.07541	4.0
405.12924	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.9
55.01846	8.6
55.05483	4.7
57.03417	5.6
61.02890	4.1
67.05476	6.9
68.99783	2.5
69.03419	20.6
69.07054	5.1
69.80173	15.0
69.80592	4.7
71.04973	5.4
73.02902	10.6
74.06042	11.0
74.09677	4.6
79.05480	16.1
81.03404	19.6
81.07030	10.5
85.02391	3.6
85.02895	64.4
87.00819	28.8
91.03930	4.2
91.05472	23.2
93.07030	83.3
95.04941	5.1
95.08583	12.2
97.02879	41.7
97.06506	5.4
99.04460	13.3
105.01856	29.5
105.06992	9.7
107.08576	100.0
109.02856	24.9
109.06503	5.9
109.10122	7.9
127.03016	4.1
127.03896	53.1
129.01822	3.5
135.11674	62.6
139.03799	2.9
145.04935	28.1
145.10062	3.6
153.12712	7.8
159.02887	12.8
196.70978	2.6
213.03864	3.3
231.04970	11.1
286.57266	3.0
304.05148	13.7
319.02655	6.5
347.02255	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.05493	1.1
56.03751	0.3
56.14391	0.4
59.04974	1.5
61.02932	0.4
67.05492	1.0
69.03415	2.0
69.07050	1.6
70.27772	1.5
70.28135	0.6
71.04980	12.5
73.06264	0.3
73.06548	3.5
74.09689	0.5
79.05477	2.9
81.03402	0.9
81.07040	15.3
83.08607	0.4
85.02883	3.4
85.09293	0.4
87.00823	2.1
91.05472	1.9
93.07030	9.9
95.08601	2.5
96.99487	0.4
97.02872	1.4
97.06506	1.4
105.01843	2.8
105.07008	0.7
107.08574	8.8
108.08954	0.4
109.02814	0.9
109.10136	2.2
123.04370	0.5
127.03907	1.8
131.35292	0.4
133.10149	0.4
135.11670	19.0
145.04922	1.0
153.12717	100.0
154.13019	1.9
160.03210	0.4
167.07008	0.6
168.07324	0.4
181.05000	0.8
181.91113	0.4
191.03285	0.5
231.05013	0.9
234.08371	0.7
235.08835	0.4
249.06380	0.4
356.12683	0.4
418.16150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05489	1.0
57.07068	8.6
57.38148	0.5
58.06593	2.9
67.05491	3.7
68.05807	1.1
69.07047	0.7
69.54731	4.5
70.06583	20.4
70.34464	0.5
71.08618	2.8
73.26427	0.5
79.05460	2.1
81.07021	1.8
83.04956	0.7
83.08607	0.5
84.08119	0.6
85.10150	1.4
88.07618	25.2
90.90331	0.5
91.05459	1.9
92.05798	0.7
93.07005	1.6
94.07334	0.5
95.04937	1.2
95.08575	1.0
100.79002	0.6
102.08501	1.0
102.09164	17.3
103.01823	2.7
105.07014	0.9
107.08521	0.7
109.10122	1.6
110.10471	0.5
111.04430	1.1
119.08531	1.0
120.02061	0.6
125.05952	0.8
135.04382	5.6
147.07980	0.6
153.05418	2.9
153.34544	0.5
163.03879	91.4
163.04953	4.5
164.04181	1.1
207.06500	99.7
208.06819	1.7
212.23726	1.1
256.26321	61.8
257.26645	1.8
344.23062	0.6
426.61816	0.6
436.30560	100.0
437.30933	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	437.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.7
60.39044	0.4
63.02357	0.5
65.03876	0.5
69.03423	0.7
69.68346	1.7
69.68774	1.6
70.98109	0.6
79.05469	1.7
84.96013	0.7
85.02866	1.4
89.03358	0.7
89.03902	9.8
95.04924	1.0
98.97551	4.0
101.00875	1.1
107.04927	3.1
111.04424	1.0
112.99103	0.5
116.98639	2.1
117.03364	10.7
119.01897	6.5
119.08601	0.5
123.04376	1.0
126.00391	0.5
127.03869	0.7
128.98538	0.7
131.00168	1.1
132.98103	1.1
134.99643	0.5
135.04395	23.6
137.02921	2.0
139.03879	1.1
142.96513	1.2
143.00151	2.3
143.01872	0.8
145.02747	14.6
146.03146	0.6
147.04366	0.6
149.01241	0.7
150.99081	1.2
155.01874	0.7
157.03441	0.8
158.99672	1.1
160.97578	0.9
161.01187	2.3
161.02930	1.0
163.03879	100.0
163.74452	0.5
164.04184	2.9
165.00584	0.7
169.03412	3.4
170.95903	0.5
170.99615	1.0
171.04965	1.4
173.02989	0.9
174.99135	0.9
175.02663	0.7
185.01086	1.3
185.02905	1.9
187.04446	4.0
188.96989	1.3
189.06017	0.4
190.98631	1.3
193.00186	1.5
193.03630	1.1
195.05043	0.5
197.02986	1.2
199.04500	0.8
200.97212	0.5
203.01974	1.2
203.03877	0.5
205.00169	1.4
205.03647	0.5
205.05496	0.6
206.98123	1.0
209.02953	0.6
211.04565	1.0
213.05998	0.9
215.03951	1.8
218.98189	0.5
219.01709	1.1
221.02927	28.4
222.03073	1.7
223.01218	0.5
229.05553	1.0
231.01534	0.4
232.99658	0.6
237.02905	0.5
239.04004	7.2
240.96785	0.4
244.04465	1.1
245.02812	1.1
245.05034	1.7
246.97552	1.7
247.04381	0.6
247.06667	1.0
248.99162	0.8
249.02698	1.2
257.05014	2.8
260.99100	0.7
261.02502	0.8
263.00894	0.9
263.03979	2.1
267.03824	1.4
271.04468	10.8
273.06015	1.2
275.06091	5.6
277.05542	0.6
279.00162	0.6
281.05096	0.8
285.05420	0.7
287.03952	1.7
289.05450	5.9
291.03680	1.5
293.07019	0.9
297.06186	0.6
299.03931	2.6
305.08740	0.7
307.06506	1.1
309.04929	1.1
313.05542	1.9
315.03421	1.1
315.06921	0.7
317.04785	0.6
319.08057	0.6
321.04846	0.6
331.06619	4.5
332.06647	0.6
333.08167	0.6
341.04977	1.0
349.07620	3.5
359.06094	3.6
372.09305	0.7
377.07156	19.1
378.07285	1.2
395.08249	3.7
401.07190	1.4
408.51642	0.5
418.09863	0.9
419.08118	4.4
437.09265	7.4
438.42935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77145	0.6
51.88657	0.6
56.96554	9.6
57.03403	0.7
66.25813	0.5
69.03408	0.8
69.64064	0.6
69.80757	4.4
70.06551	0.7
71.53052	0.6
71.53497	0.6
79.05466	1.5
84.08109	0.7
84.96011	0.9
89.03904	11.1
91.05440	0.9
93.06994	0.6
95.04985	1.5
97.02878	1.2
98.97562	4.7
101.00856	1.2
107.04945	3.5
111.04472	0.8
116.98609	3.5
117.03353	11.8
119.01913	5.5
119.04928	0.9
121.02840	1.3
121.06464	1.4
123.04413	1.7
124.99044	0.8
128.98566	1.8
129.26532	0.6
131.00154	1.0
131.01822	0.7
134.99664	1.5
135.04390	23.1
137.02936	3.0
139.03839	3.9
140.04216	0.8
140.17961	0.6
143.00148	2.0
145.02753	13.9
146.03114	0.8
146.99605	1.4
147.04366	2.5
149.01196	0.7
149.02934	0.6
157.03386	0.8
161.01175	3.8
161.02913	0.9
163.03876	100.0
164.04219	1.9
169.03404	2.1
172.94238	0.8
175.00832	2.2
177.00668	1.5
185.01105	1.2
185.02919	1.5
187.04440	3.1
189.00703	1.6
189.02347	0.8
190.98590	1.3
193.01880	1.5
193.03525	1.1
203.01955	1.7
203.03905	1.2
205.00145	0.8
206.98187	0.8
211.04524	1.4
215.04001	0.9
219.01627	0.9
221.02928	25.6
222.03233	1.1
229.05554	1.9
237.02817	1.7
239.04015	6.8
242.99821	1.3
244.04518	0.7
246.97777	0.7
249.02667	1.6
257.04907	1.4
263.01364	0.7
263.03976	3.0
267.03949	1.1
270.99265	0.9
271.04434	7.5
273.06064	1.7
275.06076	5.4
287.03821	1.1
289.05640	4.5
291.03949	1.2
291.07199	0.8
293.07144	1.7
299.03888	2.9
303.01834	1.3
313.05576	2.0
317.04605	0.8
331.06567	4.4
349.07602	3.3
359.05954	2.3
363.03922	1.4
377.07098	16.0
378.07343	1.3
379.05585	0.8
395.08243	3.8
401.06842	1.4
418.09564	1.0
419.08008	3.9
437.09164	7.2
437.15353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1434
Annotation	Catechin 7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.78054	1.0
53.03933	1.7
55.01870	2.9
57.03423	1.9
61.02914	0.9
66.07683	0.8
67.05488	1.2
68.99780	2.3
69.03416	15.2
69.07041	1.2
70.06589	4.8
71.04976	12.6
71.06975	0.9
71.67888	1.6
71.68278	1.2
72.08121	1.2
74.04939	0.8
74.73570	0.8
77.03916	1.6
79.05489	2.8
81.03406	2.1
81.07057	1.3
83.04962	4.0
84.08127	1.5
85.02896	15.3
86.09677	1.6
87.04453	0.9
89.07140	2.8
90.10918	1.1
91.05472	4.1
93.07042	2.0
95.04948	2.9
95.08540	1.1
97.02877	3.9
105.07022	2.9
107.04935	6.7
107.08566	1.5
109.02871	3.6
111.04417	6.2
115.05437	1.6
116.07063	1.2
119.04922	8.8
119.08614	1.5
120.08080	4.1
121.06478	3.6
123.04405	100.0
124.04827	2.1
125.05981	2.3
127.03893	3.2
129.05441	2.6
129.06967	1.2
130.06500	1.1
131.08580	1.0
133.06430	3.2
135.04399	14.9
135.07880	1.0
136.07527	1.2
137.02274	1.9
137.05971	2.5
139.03888	13.5
141.06865	1.1
143.04929	2.0
145.06409	1.4
145.10201	1.1
147.04381	24.1
147.11630	1.2
149.05962	2.7
149.09650	0.9
150.03107	1.0
151.03871	8.5
153.01820	1.9
153.05495	2.4
159.04411	1.3
161.05910	7.5
163.03877	55.3
164.04283	1.6
165.05452	17.3
173.05956	1.1
175.03902	4.1
175.07463	0.9
177.05406	9.0
177.06503	0.8
179.03395	2.3
179.07028	2.8
181.04918	10.5
185.05995	1.5
187.03905	1.5
189.05411	7.6
189.12672	1.0
191.03458	1.4
193.04936	2.8
201.05534	1.1
203.07025	3.0
205.04932	21.2
207.06497	3.9
207.13884	1.2
217.05072	1.3
219.06522	1.5
227.07307	1.0
231.06523	15.6
243.06532	2.1
249.07581	12.6
261.07489	5.4
263.13849	1.2
267.06323	1.3
267.08633	8.0
269.07861	1.1
275.05405	1.3
285.06900	1.6
285.09897	8.3
291.08752	2.0
297.07724	2.1
303.08603	2.7
308.64185	0.9
315.08557	6.0
357.09534	6.4
383.11188	7.7
401.11990	3.8
419.14020	2.0
437.08295	2.3
437.15039	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	437.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02699	2.8
55.05494	3.4
59.06114	16.6
60.04493	3.2
65.03941	3.7
67.05502	8.2
69.03407	5.7
70.06577	3.5
71.14751	6.8
71.15093	3.8
79.05465	5.0
81.03419	4.2
83.04954	14.0
83.06084	8.0
84.04491	84.5
84.08105	3.9
85.02867	8.7
86.09690	3.0
89.03896	9.4
90.22435	2.5
91.05479	11.0
93.03406	8.5
95.04903	4.6
96.04480	3.3
97.02877	12.8
102.05521	11.4
105.07001	6.2
106.06545	3.3
107.04918	7.8
108.03403	3.0
109.02869	5.8
111.04414	13.9
112.84247	3.0
115.05461	4.8
117.03358	10.3
118.06507	4.2
119.04937	7.1
119.08562	3.9
121.02827	3.7
121.06536	3.0
123.04397	24.6
125.73487	2.8
126.05483	6.4
127.03885	6.8
129.05443	3.6
129.06981	3.8
131.04897	6.4
133.06519	3.0
134.06004	5.4
135.04405	28.2
137.05984	4.8
139.03854	8.7
143.04884	5.1
145.02844	12.0
146.05991	10.7
147.04396	16.4
148.07524	7.0
157.05069	3.0
157.06441	3.1
158.06059	4.2
160.07541	3.5
161.05940	15.6
162.05484	37.5
163.03882	96.0
164.07054	10.3
165.05449	4.4
172.07515	9.1
174.05525	11.0
175.03880	7.0
175.06149	3.3
175.07474	7.0
176.07004	22.2
176.11479	3.9
177.05482	4.4
177.07872	6.1
178.05002	3.2
178.08607	32.3
186.05508	6.2
187.03772	7.3
188.09399	3.6
189.05296	3.6
190.08542	4.1
192.06546	5.2
199.08667	12.2
200.06990	17.1
202.04945	17.4
202.08612	4.1
203.08151	9.8
204.06577	23.1
205.07304	9.9
207.13916	3.4
213.04117	3.3
217.09703	47.8
217.11765	3.9
217.14018	3.3
218.08191	7.2
220.06078	3.6
221.02933	13.5
222.07555	4.3
227.08154	15.5
228.06511	10.5
239.04005	4.0
240.13159	8.2
245.09198	54.8
246.07629	6.4
263.10254	29.5
271.04391	4.5
275.06143	6.4
289.05685	4.4
293.07632	3.0
331.06573	3.8
377.07181	8.9
394.11157	6.7
396.12933	4.8
397.13553	7.8
419.08286	3.9
419.14407	7.3
420.12497	4.1
420.20007	3.5
437.10419	5.5
437.15598	100.0
437.22229	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	438.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
53.12990	1.3
54.30777	1.1
55.01859	2.1
55.05494	1.9
57.03435	1.5
58.91907	1.1
59.04987	2.1
67.05511	2.9
69.03422	7.6
69.07045	7.7
70.06583	1.9
70.33470	1.3
71.04964	1.4
71.08620	45.0
73.02908	1.7
81.03418	6.1
81.07052	2.6
85.02892	17.4
87.00830	7.7
93.07017	1.7
95.08586	2.2
97.02894	9.5
97.17248	1.4
99.04457	2.7
99.08079	100.0
100.08433	1.8
105.01836	7.3
105.07039	2.0
107.08591	1.5
109.02854	7.6
109.10097	1.7
120.08047	3.0
127.03880	8.3
129.12730	15.5
145.04907	2.8
155.14294	3.9
159.02890	3.2
159.09222	1.6
173.15358	61.2
174.15729	1.9
175.08574	1.8
205.22000	1.3
231.05124	1.5
260.83588	1.3
263.16565	1.6
264.64499	1.4
273.65451	1.6
379.04800	1.4
425.33481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2382
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
55.05480	0.5
56.25544	0.3
56.44633	0.3
56.58765	0.4
56.62318	0.4
58.06570	1.5
65.03918	1.0
67.05482	0.6
69.03412	0.5
69.07043	0.5
70.06567	1.3
71.68299	0.6
72.08141	16.3
74.00651	0.8
74.06710	0.4
75.09220	1.0
79.05465	0.4
81.07037	0.5
84.04486	0.8
84.08109	2.9
85.02875	0.7
85.06516	0.9
86.09653	0.8
91.05463	7.9
95.04947	0.4
97.02879	0.7
100.02161	0.7
105.07012	0.7
107.04949	0.6
109.02867	0.5
109.10118	0.6
112.11219	5.4
118.99926	0.5
119.04919	22.8
120.05225	0.7
121.10072	0.4
123.04388	0.6
126.09173	0.3
127.03918	0.9
129.09070	0.5
129.13872	3.7
130.04967	0.6
145.10056	0.5
146.16531	2.6
147.04379	100.0
148.04742	2.6
153.01848	0.4
155.10553	0.8
155.11734	1.0
155.14258	0.7
162.24696	0.4
172.14494	0.6
173.09599	0.7
191.10599	0.5
203.11774	1.4
204.10165	32.4
205.10553	1.1
218.11705	4.6
221.12784	1.5
235.14461	0.7
274.19025	0.9
275.17450	5.4
291.08347	1.1
292.20126	20.1
293.20334	0.7
420.22742	0.7
421.21103	6.4
438.23831	40.6
439.24231	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	438.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.4
57.07070	7.3
57.78423	0.9
58.06576	1.6
58.65188	0.9
65.03920	2.8
67.05484	5.4
69.03423	1.6
70.06580	14.7
71.08607	2.0
71.70370	1.6
79.05465	1.4
81.03400	1.4
81.07033	2.5
81.47318	1.0
85.36745	0.9
88.07613	18.2
91.05453	2.4
93.07019	2.3
95.04974	1.7
95.08630	1.9
102.09164	14.5
105.07023	1.9
107.08606	1.9
109.10130	2.9
119.08589	1.6
121.02887	1.2
121.10160	1.3
123.04379	1.1
131.08478	1.0
133.10104	1.3
139.03873	2.1
145.10117	1.1
147.11713	1.0
149.02322	58.3
149.03404	3.5
150.02708	1.1
177.20642	0.9
184.20547	1.1
193.04932	58.9
193.12260	1.1
228.23201	52.7
229.23637	1.6
237.07545	63.8
238.07944	1.2
272.25845	2.5
323.60800	1.0
438.28482	100.0
439.28662	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.05496	3.0
57.03429	5.5
61.02907	1.1
67.05497	7.8
67.35280	0.8
68.99773	5.1
69.03417	16.3
69.07056	3.1
70.06581	1.6
71.04973	8.7
72.08134	3.4
73.02895	1.5
73.08494	1.2
79.05479	4.7
81.03408	49.3
81.07045	19.1
83.04964	4.2
83.08607	1.1
85.02892	31.8
85.06515	1.9
87.00831	2.6
87.77950	0.8
91.05466	7.2
93.07043	8.1
95.04964	4.5
95.08595	6.1
97.02881	42.2
97.06513	10.8
99.04440	18.3
99.08092	1.7
105.07014	6.6
107.04939	1.1
107.08577	18.6
109.02863	45.7
109.06507	11.8
109.10136	7.6
111.04429	3.1
111.08066	2.1
112.11195	1.2
117.07008	1.2
118.54140	0.9
119.04923	5.0
119.08565	3.0
120.05245	2.3
121.06496	2.6
121.10144	11.2
121.70486	0.8
123.04395	1.1
123.08036	4.5
123.11687	6.1
127.03898	100.0
128.04202	0.9
131.08537	5.2
133.10104	7.5
135.08025	3.6
135.11670	1.9
137.09599	1.2
139.07535	1.1
139.11171	1.1
145.04967	4.7
145.10106	2.8
147.04384	22.1
147.11696	3.0
148.04730	12.1
149.09593	4.1
149.13229	10.6
149.73558	0.9
151.03838	1.1
151.07512	3.7
151.11147	10.3
153.09074	2.2
158.11037	1.0
161.13297	1.2
163.11244	1.1
163.14790	4.0
165.12761	1.0
167.10654	1.3
173.13223	7.3
176.74272	0.9
179.14354	1.1
189.12764	1.5
191.14287	13.1
192.19962	0.8
204.10182	4.9
205.10489	4.6
207.13890	1.2
209.15334	10.2
211.30997	0.9
213.03909	26.4
213.79916	0.9
218.11646	1.1
227.16414	4.4
292.20114	2.8
293.20483	4.2
313.98517	0.9
395.20996	0.8
422.21451	3.0
439.18945	2.2
439.24274	14.9
457.20752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01851	1.9
55.05494	2.7
57.03412	1.0
57.07048	1.3
58.19585	0.5
61.02920	1.0
67.05492	4.6
68.99783	1.5
69.03416	9.0
69.07050	3.3
73.02911	0.8
79.05481	6.5
81.03394	3.6
81.07046	6.8
83.04965	3.0
83.30655	0.6
85.02899	4.5
86.09669	0.8
87.00815	1.8
91.05465	6.1
93.07024	5.9
95.04970	4.6
95.08583	3.2
97.02864	1.8
97.06508	1.2
97.47996	0.6
98.09665	1.0
99.04410	1.3
102.83695	0.6
103.05446	0.7
105.01843	0.9
105.07016	9.7
107.04926	2.8
107.08573	18.2
108.58236	0.7
109.02864	1.7
109.06491	3.3
109.10137	8.6
111.04406	1.0
115.05428	2.0
117.06986	2.2
119.04948	0.7
119.08579	6.2
120.27062	0.6
121.06501	3.5
121.10115	13.3
122.07294	5.9
123.04414	0.8
123.08046	2.2
123.11699	1.3
125.09583	0.8
127.03884	4.3
129.01828	1.6
129.06998	1.0
131.08517	2.9
133.10104	100.0
134.10497	1.9
135.08020	7.3
135.11697	1.5
137.05956	1.6
137.09590	50.4
138.09929	0.8
143.08499	2.0
145.10107	2.6
147.02888	1.0
147.08000	0.7
147.11688	3.2
149.09610	6.6
149.13231	8.4
151.07472	1.1
151.11130	0.7
157.10077	1.1
158.10867	1.9
159.07999	0.7
159.11705	1.5
161.09602	1.8
161.13234	1.1
163.11172	1.0
163.14801	2.1
173.09653	1.3
173.13229	7.1
177.09081	0.7
177.12733	0.8
187.11180	0.9
187.14781	0.7
189.12753	2.4
191.14275	39.1
192.14616	1.3
198.14807	0.8
201.12708	0.8
203.14320	1.4
213.12721	0.7
219.13654	0.8
231.13751	1.7
233.15334	1.9
245.15227	1.3
253.71414	0.6
257.15228	0.8
273.14835	0.8
275.16312	1.0
281.15366	0.7
299.16403	1.0
335.18515	1.0
353.19440	1.6
403.17563	0.8
421.18344	1.2
439.19498	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	439.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
53.47605	0.9
55.01859	5.0
55.05513	5.3
57.03429	1.0
57.07060	1.6
58.14864	1.0
61.02910	2.6
67.05492	7.3
68.99768	4.8
69.03422	15.3
69.07059	11.7
69.44501	1.8
69.44913	8.6
70.06536	1.2
71.04966	1.6
71.14436	1.0
73.02882	1.1
79.05482	9.5
81.03410	7.3
81.07048	12.5
83.04966	4.5
83.08636	1.8
85.02888	11.7
87.00820	6.0
91.05465	10.4
93.07030	10.9
95.04947	8.9
95.08615	8.7
97.02859	5.7
97.06527	4.7
99.04443	2.6
103.03914	1.9
105.01829	1.6
105.07018	14.9
107.04921	5.0
107.08580	25.5
109.02872	7.6
109.06506	5.5
109.10158	11.4
111.04411	3.0
111.08052	2.0
115.05485	1.2
115.07556	1.3
117.07008	4.4
119.04962	1.4
119.08556	10.8
121.06476	6.2
121.10128	17.0
122.07265	5.9
123.04416	2.6
123.08079	4.7
123.11691	2.4
125.09660	1.2
127.03912	9.7
129.01799	3.9
129.07014	1.2
131.08542	7.7
133.06500	2.3
133.10110	100.0
134.10443	2.3
135.08017	10.3
135.11678	3.0
137.05969	2.4
137.09598	50.1
139.11169	1.5
143.08553	2.8
145.04892	1.2
145.06425	1.5
145.10039	5.0
147.02855	2.8
147.08011	2.0
147.11667	10.7
149.09619	8.5
149.13239	11.0
151.07547	1.8
151.11136	1.3
157.10120	2.8
158.10872	2.2
159.02829	1.6
159.08000	2.4
159.11708	3.5
161.05920	1.1
161.09625	4.1
161.13219	3.6
163.11162	3.8
163.14841	5.5
165.12833	1.1
169.10104	1.7
171.11656	2.6
173.09610	2.6
173.13249	9.7
175.11136	2.5
175.14882	1.1
177.09053	1.8
177.12727	3.8
181.04930	1.3
184.07314	1.1
187.11115	2.0
187.14786	1.8
189.12712	6.5
191.14288	53.9
192.14662	1.6
197.13307	1.5
201.12724	1.4
203.14308	3.2
205.12285	1.3
205.15892	2.6
209.15300	2.5
215.14307	3.0
217.15996	1.1
227.14331	1.3
231.04890	1.3
231.13783	2.0
233.15314	5.1
250.55704	1.2
257.15256	3.0
263.16177	1.2
273.14859	1.0
275.16333	2.2
281.15387	1.6
299.16321	4.1
317.17358	1.7
335.18317	2.1
353.19528	3.0
403.17395	2.2
421.18372	2.4
439.19229	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	439.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.6
55.05503	15.8
56.54699	1.4
56.87500	1.3
57.03411	4.8
59.04986	4.2
65.03925	2.6
66.19075	1.6
67.05494	100.0
69.03402	5.6
69.07042	6.9
71.04971	5.6
71.68804	2.0
71.69202	2.1
79.05481	17.8
79.94952	1.5
81.03403	32.6
81.07044	32.4
83.04971	8.4
83.08606	17.3
85.02891	19.4
85.06501	3.3
90.04663	1.4
91.05465	25.7
93.07024	15.0
95.04941	18.2
95.08595	13.1
97.02870	1.8
97.06509	2.2
97.10126	2.6
105.07011	13.4
107.04915	2.7
107.08572	9.7
109.06497	2.8
109.10138	74.5
111.08060	6.8
113.18076	1.6
119.08568	14.0
121.06474	2.7
121.10109	5.6
122.16322	1.6
123.08036	1.8
123.11681	2.7
125.09558	2.0
129.06955	6.4
131.08546	6.6
132.08965	1.4
133.06450	1.9
133.10106	8.0
135.08022	2.3
135.11671	2.1
137.09581	6.0
142.07796	1.5
143.08549	2.4
145.10120	3.0
147.08052	3.9
147.11682	10.9
149.09598	4.4
155.08578	2.0
155.10564	4.0
157.10085	9.8
159.11641	2.2
165.09111	2.3
167.07047	1.8
173.11710	22.0
173.13098	2.5
175.11203	9.0
182.81964	1.5
191.14445	1.9
193.12224	32.2
211.13255	40.1
229.14355	2.4
247.02037	1.6
263.16492	3.0
267.16080	2.8
335.57047	1.9
339.95074	1.6
421.26019	2.1
429.72284	2.0
439.26843	59.9
440.27216	2.1
450.32373	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07344	1.0
53.03932	2.5
54.93110	1.3
55.01849	1.8
55.05500	15.0
57.03415	7.7
59.04980	5.3
65.03927	2.7
66.98105	1.0
67.05491	100.0
67.47775	1.0
69.03400	5.2
69.07041	6.6
70.06583	3.8
70.07008	4.7
71.04967	5.8
79.05476	13.9
81.03402	33.2
81.07040	29.7
83.04968	8.5
83.08602	15.4
85.02894	20.5
85.06519	4.4
87.02689	1.1
87.84571	1.1
91.05466	23.7
92.05759	1.1
93.07022	15.7
95.04948	14.7
95.08579	12.8
97.02864	2.1
97.06517	3.4
97.10155	3.3
99.04442	1.1
105.07014	13.1
107.04958	3.0
107.08564	10.6
109.02859	1.3
109.06487	4.4
109.10135	69.2
111.04432	1.7
111.08066	10.5
117.06990	1.6
119.08543	17.6
121.10133	7.7
123.08098	2.5
123.11665	1.9
125.09565	2.2
129.06969	6.0
131.08572	6.3
133.06407	1.3
133.10083	6.8
135.08028	1.8
135.11664	2.2
137.09583	7.3
142.07733	1.7
145.10085	3.8
147.08017	2.6
147.11653	9.9
149.09584	4.3
149.13206	1.6
155.10594	2.7
157.10106	7.9
159.11670	1.7
161.13231	1.2
163.11142	1.9
165.09087	3.4
165.12730	2.4
173.11723	18.1
173.13130	1.3
175.11133	9.5
185.13120	1.1
189.09192	1.6
191.10458	1.8
193.12201	34.1
193.13982	1.7
199.42099	1.3
211.13251	36.3
229.14304	2.3
246.56512	1.1
263.16385	2.1
267.16006	1.8
337.28073	1.2
391.23022	1.2
424.82535	1.4
439.26810	59.6
439.31677	2.6
440.27008	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
60.87046	1.0
68.99776	1.1
69.03405	1.1
69.73685	1.0
70.06571	2.8
71.44952	1.8
71.45285	1.2
72.08152	0.9
72.18909	1.3
72.24492	1.0
81.03400	1.0
85.02875	2.3
86.09701	1.3
91.05448	3.4
94.06532	1.8
95.04962	1.2
96.04480	2.7
105.03334	2.0
108.04456	2.9
108.05177	1.0
117.06972	1.6
118.06535	2.0
119.04914	3.5
122.05997	1.3
123.04413	25.3
127.03864	1.3
131.04907	1.0
131.35573	1.0
137.05962	2.3
141.51617	1.2
143.04863	1.2
144.08022	1.1
145.06488	2.3
146.05963	6.7
147.04398	7.4
150.05396	1.1
158.06027	1.9
159.04425	1.6
161.05991	1.1
163.03888	2.3
165.05447	1.5
172.07536	3.6
173.05925	5.0
174.05473	15.9
174.09064	1.2
175.03860	7.3
185.05946	2.3
186.05452	2.5
186.09041	1.6
187.04005	1.4
189.05373	4.7
192.06552	2.9
193.04898	1.6
196.07576	1.5
197.05890	1.2
198.09149	1.6
199.03777	1.2
199.64627	1.1
200.04759	0.9
200.06999	5.4
201.05435	28.1
202.08592	1.3
213.05409	11.7
214.08571	2.9
215.07031	2.1
216.06499	2.4
217.04854	1.4
218.57530	1.0
223.40381	0.9
224.07080	2.3
225.05417	1.8
227.07047	2.3
228.06503	9.8
229.07127	1.9
230.08119	1.5
237.05208	1.1
241.04945	4.4
242.05789	1.8
242.08035	15.7
244.09555	5.4
245.04367	1.9
252.06512	2.5
254.08200	2.5
258.07584	3.1
259.05859	1.1
259.10815	1.3
260.09109	1.5
270.07562	100.0
271.08078	3.0
272.09131	18.5
278.14053	1.3
282.07513	2.5
288.08545	1.3
300.08701	1.5
301.11679	2.1
353.10196	1.2
354.12018	1.4
380.11203	3.6
394.12817	5.8
422.12274	66.7
423.12125	3.5
440.13287	53.3
441.13684	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01865	1.8
59.06099	1.0
60.04510	2.0
61.02926	1.1
68.99783	1.8
69.03399	2.6
70.06569	1.8
70.08624	4.2
79.05490	1.0
80.05005	1.2
81.03384	1.4
82.58929	1.0
82.85370	0.7
83.04975	0.8
85.02892	5.0
86.09694	0.9
91.05458	2.0
95.04942	1.0
96.04467	3.1
97.02877	1.9
98.06040	0.9
105.03407	1.1
105.06946	0.9
108.04461	1.1
109.02800	0.8
110.06044	1.1
115.05428	2.3
117.06973	2.0
118.06497	1.1
119.04907	2.6
122.06013	1.9
123.04404	30.0
127.03874	1.4
129.06978	1.8
130.06537	1.1
130.37726	0.8
131.04883	1.8
132.08063	0.9
135.04390	1.4
137.06017	0.9
139.03889	1.5
139.07471	0.8
141.06921	1.0
143.04883	1.0
143.08531	1.6
144.08025	1.1
145.06435	3.3
146.05988	3.1
147.04391	8.5
157.06480	1.6
158.06004	2.4
158.09615	1.3
159.04424	1.9
160.07526	2.5
161.05939	1.9
163.03900	2.3
165.05447	1.2
168.08075	2.1
169.06526	1.0
170.05902	0.8
171.08014	1.7
172.07568	5.0
173.05949	4.0
174.05434	4.7
174.09122	1.1
175.03886	8.0
176.07057	3.7
177.07793	0.9
184.07578	1.5
185.05952	3.6
186.05429	2.0
186.09082	3.1
187.03831	1.6
187.07486	1.0
188.06975	2.3
189.05450	4.7
189.09134	1.1
193.04871	1.9
196.07574	3.4
197.06027	2.0
199.03964	1.9
199.07596	1.4
200.07030	6.6
201.05428	30.6
201.07339	1.6
202.05798	1.0
202.08633	2.3
203.07109	1.0
212.07112	1.6
213.05446	12.4
213.07416	1.5
214.06468	1.3
214.08498	5.0
215.03415	0.9
215.07014	3.2
216.06535	5.0
216.10304	0.9
217.04849	2.0
217.08694	1.3
219.84302	0.8
224.06998	3.2
225.05450	2.3
226.08620	1.6
227.07291	1.5
228.06505	11.4
229.04930	1.0
229.07135	1.8
230.08032	3.2
231.06621	1.6
231.08818	3.1
232.09698	2.6
240.06339	1.0
241.04903	4.7
242.05655	3.2
242.08104	17.5
243.06410	1.2
243.08745	1.8
244.09631	6.4
245.04352	2.0
252.06465	2.2
253.04855	1.5
254.08070	3.5
255.06387	1.0
258.07596	2.0
259.05957	1.7
259.08258	1.3
260.09152	81.9
261.09525	0.9
270.07568	100.0
271.08078	3.4
272.09122	17.1
273.03931	1.5
282.07605	3.2
288.08594	2.0
300.05701	1.0
300.08923	1.1
365.10056	1.6
380.11298	2.0
394.12582	4.4
422.12219	51.4
423.12680	2.7
440.13297	41.4
441.13394	1.5
443.75464	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
69.03397	0.9
70.06585	3.2
70.11932	0.5
71.04946	0.6
71.68584	1.1
73.54563	0.5
74.53948	0.5
79.05498	0.8
81.03381	0.9
84.08128	1.4
85.02882	1.3
86.09684	0.8
91.05442	2.9
94.04177	0.9
95.04910	0.7
99.40333	0.6
107.08566	2.1
120.08128	0.7
122.03632	2.7
123.04420	1.6
124.07581	9.0
126.58684	0.6
128.07031	2.1
129.10240	0.7
135.04359	0.6
135.08055	1.5
137.05954	100.0
138.06305	2.2
139.03902	0.6
142.08623	8.3
151.03899	0.8
151.25075	0.7
153.01808	1.3
153.09062	0.9
193.04916	1.6
199.09543	0.9
201.05469	0.7
243.58614	0.6
246.11470	0.6
260.12857	4.7
270.07639	1.9
278.13840	61.4
279.14240	1.9
303.05002	1.3
303.08368	1.2
330.24521	0.6
352.05374	0.7
422.05902	0.7
422.12152	0.9
440.06662	1.6
440.12949	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
61.57177	0.9
69.07076	1.1
70.06564	2.0
71.45477	1.6
78.04686	3.0
79.05479	5.1
81.07059	1.4
85.02872	0.9
91.05459	3.1
93.07018	1.3
95.04923	1.4
95.08536	0.8
103.05450	4.2
105.06989	5.9
106.04116	1.2
107.04938	5.0
107.08598	1.0
115.05428	2.6
117.06998	1.9
119.08567	0.9
120.08037	0.8
121.06480	2.9
123.04402	6.0
123.42365	0.9
124.05189	3.3
124.07492	0.8
125.05973	1.0
128.06230	0.8
129.07066	0.9
131.04926	6.0
131.08594	1.0
133.06462	6.4
135.04385	1.2
135.08012	1.5
137.05943	3.4
139.07530	1.2
141.06952	1.1
145.02788	0.8
145.06429	1.4
147.04369	1.4
149.07407	2.4
151.03857	2.7
151.07510	3.8
152.04655	1.9
159.08046	1.0
161.05975	5.4
163.03830	3.4
163.07515	13.0
167.07010	100.0
168.07462	1.3
173.06012	1.4
173.09605	1.4
175.07487	2.1
177.09085	3.3
179.07004	4.6
180.38103	0.8
181.08557	3.9
187.07491	2.7
193.08560	16.6
217.08466	0.9
219.10167	2.9
233.11722	2.4
237.11157	3.3
251.12849	0.8
291.10178	0.8
315.13501	0.9
323.12650	3.4
355.15271	9.2
387.17822	5.0
405.19193	5.2
440.23700	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	440.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.9
55.84034	1.6
57.03417	5.7
57.06841	1.8
57.07067	21.4
62.06077	23.8
63.01030	1.9
64.29993	1.8
67.05495	5.6
69.07045	3.6
71.08614	15.2
71.67986	2.4
73.09283	1.9
73.66859	2.0
81.07040	8.5
85.10160	9.6
90.59272	1.9
95.08578	8.8
98.98444	6.3
100.45592	1.8
109.10107	3.4
121.10051	2.2
123.11675	2.6
124.01591	3.8
155.01047	6.5
225.22081	4.3
268.26361	13.6
283.21985	2.2
299.25772	100.0
300.26059	5.0
321.25858	2.1
349.16760	4.7
379.12659	1.9
379.22232	6.9
422.26044	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	440.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.4
53.03934	2.2
54.98370	0.3
55.01848	1.2
55.05497	4.2
56.05022	3.3
57.07054	0.8
60.04525	2.3
61.19418	0.3
65.03922	0.9
67.04236	0.5
67.05493	12.6
68.05009	1.0
69.03417	3.3
69.07054	3.1
70.06562	0.9
71.04989	2.4
71.08632	0.5
72.04473	0.7
74.73152	0.3
79.05476	13.5
80.05000	3.1
81.03398	1.7
81.05778	2.4
81.07040	11.4
81.07452	0.2
82.06570	5.4
82.07310	0.4
83.04954	1.0
83.08609	2.5
85.06525	2.0
85.10158	0.4
87.04443	2.5
91.05460	5.8
93.07027	21.4
94.06551	19.3
95.04948	4.3
95.07339	0.6
95.08588	19.4
96.08115	3.4
97.06516	4.7
97.10153	1.4
98.09621	0.5
98.20669	0.8
103.05449	0.7
105.04483	0.7
105.07014	12.1
105.07723	0.7
107.07317	3.7
108.08074	0.5
110.08947	0.7
110.09663	10.0
111.08058	14.0
111.11697	0.6
120.08106	0.6
121.10159	0.4
122.09644	34.9
123.08045	24.4
123.08988	0.4
123.09961	1.0
124.08395	0.7
128.10692	36.6
129.11023	0.7
135.11659	0.3
140.10674	100.0
141.09090	10.0
141.10962	2.2
158.11736	8.7
209.69106	0.3
214.17999	0.7
262.28094	0.3
265.25092	0.5
282.27863	1.4
300.28909	5.1
301.29437	0.4
306.31473	0.6
318.31299	0.4
392.35428	1.0
404.35272	0.7
410.36203	3.7
422.36212	10.6
423.36630	0.9
440.37247	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	441.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	13.2
64.63519	1.0
65.48700	1.0
69.91496	2.9
69.91916	3.1
80.30182	0.8
84.96005	6.5
88.13549	0.8
98.97565	87.8
110.97548	25.1
110.98278	1.8
112.99121	2.4
116.98599	36.3
124.99091	1.5
125.43626	0.8
127.00626	1.2
128.98587	26.8
131.00154	2.7
134.72919	0.9
134.99640	8.7
140.98566	7.5
143.00145	13.3
146.99637	12.0
152.98578	4.1
154.99992	0.9
158.99620	29.8
161.01196	10.7
165.00668	1.7
170.99629	26.0
173.01157	1.2
177.00679	31.8
178.01028	0.9
179.02229	1.6
182.99658	14.4
189.00684	25.5
195.01709	2.0
200.02232	1.5
201.00679	52.9
202.01147	1.2
203.02357	1.5
207.01730	5.4
213.00673	2.8
219.01732	46.0
224.02336	1.5
231.01723	5.6
237.02777	19.6
242.03355	2.2
243.01718	20.4
249.02792	2.6
260.04330	1.1
261.02783	100.0
262.03122	2.8
273.02798	9.3
273.37543	0.9
279.03839	65.2
280.04123	1.7
291.03827	19.3
297.04880	4.9
302.05447	2.9
309.04712	1.9
318.98615	1.0
321.04895	49.8
322.05118	1.4
333.04770	7.4
339.12927	1.1
351.05865	8.2
381.06903	3.6
399.08133	3.9
441.09171	21.9
441.14999	1.2
442.09079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97442	0.4
55.01870	0.6
55.05489	0.6
57.64905	0.5
67.04502	0.4
67.05484	0.8
69.03419	0.9
69.07030	0.8
70.23325	2.0
71.04967	0.9
79.05472	1.0
81.03377	0.6
81.07031	2.0
83.04974	0.7
83.08607	0.6
85.02873	1.1
91.05460	1.6
91.52521	0.5
93.07037	2.3
95.04977	0.5
95.08605	1.5
97.02860	0.6
105.07010	1.4
107.08583	1.8
109.06474	0.5
109.10130	1.5
117.07030	0.6
119.08569	1.1
121.10142	1.2
123.04300	0.6
123.08041	0.6
131.08447	0.6
133.10100	0.8
135.08023	0.6
135.11691	0.9
140.92361	0.5
152.91069	0.5
165.09146	1.3
175.11101	0.6
175.14716	0.8
185.04219	1.2
193.11974	3.1
201.03947	0.5
203.05247	0.8
211.99553	0.6
227.05223	0.7
235.13072	0.5
245.06310	3.5
248.89917	0.6
251.40099	0.5
256.11609	0.5
257.11618	0.9
287.03659	0.7
289.05237	10.2
316.13525	0.8
325.40991	0.5
350.13077	0.6
355.17212	11.0
357.00974	0.6
373.16553	0.5
397.18277	33.9
398.18585	1.7
414.15353	1.0
441.17267	100.0
442.17889	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	443.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76965	0.4
53.00286	1.0
55.01851	1.7
61.50565	0.4
65.03910	1.3
67.05482	0.7
68.99776	4.3
69.03391	0.5
70.06573	1.0
70.87234	1.3
75.34277	0.4
80.88198	0.4
81.89453	0.4
83.04982	0.6
83.06076	1.3
84.08124	0.8
89.73300	0.4
91.05464	0.9
95.04945	0.9
97.02827	0.5
107.04931	0.4
109.02859	0.9
111.00775	1.4
111.04449	2.9
119.04929	0.5
121.02826	2.4
123.04401	5.2
127.03915	2.5
133.02849	0.5
133.06384	0.5
135.04396	2.1
137.05954	0.9
139.03877	100.0
140.04219	2.3
141.30777	0.6
145.06409	0.6
147.04420	2.1
149.02325	1.3
151.03883	8.3
155.03386	0.5
155.04851	0.7
157.06459	1.3
161.05952	1.3
163.03871	4.4
165.05466	1.7
167.03398	5.6
167.08493	0.5
169.06454	0.5
171.04401	0.7
173.05943	0.6
175.03853	4.6
177.05424	2.8
179.03368	9.0
181.04922	1.1
183.04401	1.2
185.05989	1.3
187.03885	1.3
189.05396	3.2
191.03352	8.7
193.04919	5.2
197.05945	1.4
199.03905	1.3
201.05457	4.1
203.03374	11.4
205.04958	1.3
207.02838	0.6
211.03966	0.6
213.05453	4.1
215.03358	0.9
215.07065	0.8
217.04948	2.6
221.04649	0.5
225.05569	0.6
229.04889	4.2
231.06509	3.2
233.04425	4.9
241.04942	1.2
243.06438	0.6
245.04425	8.2
251.05455	1.7
253.04985	1.0
257.04440	9.3
259.06049	1.9
263.05505	4.6
269.04678	0.5
271.06061	2.6
273.03989	0.9
275.05460	14.1
281.04535	0.5
282.06009	0.7
287.05444	33.5
288.05804	1.3
291.05023	0.9
299.05450	22.6
300.05789	0.7
303.04883	2.3
317.03165	0.8
317.06534	9.2
414.94983	0.5
425.08566	6.5
443.10110	0.6
443.18860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.9
55.01865	2.0
65.03917	1.9
66.82272	0.4
67.01846	0.5
67.05480	0.9
68.99779	5.4
69.03406	0.5
70.06571	1.4
71.69247	0.5
79.05472	0.5
83.04969	0.5
91.05484	0.4
91.93626	0.4
93.03375	0.9
93.52189	0.4
95.04955	1.2
97.02845	0.5
103.05410	0.4
105.03372	0.6
105.07009	0.5
107.04952	1.1
109.02855	0.9
111.00774	1.6
111.04421	3.2
116.07065	0.8
119.04910	0.6
121.02834	2.9
123.02971	0.5
123.04414	5.3
127.03880	2.5
133.02838	0.5
133.06535	0.4
133.40924	0.4
135.04382	1.5
137.05916	1.0
139.03874	100.0
140.04208	1.5
141.06931	0.7
143.81326	0.4
145.06430	0.7
147.04417	2.2
148.19064	0.4
148.30830	0.5
149.02313	1.5
149.05945	1.1
151.03871	9.9
153.01810	0.6
155.03345	0.6
155.04877	0.8
157.06465	0.9
159.04391	0.8
161.05945	1.1
163.03886	5.3
165.05496	2.0
166.17957	0.4
167.03377	5.4
169.06451	0.6
171.04373	0.8
173.05957	0.8
175.03859	5.9
177.01825	0.6
177.05408	2.9
179.03360	9.3
181.04958	1.1
183.04367	1.3
185.05963	1.4
187.03850	1.3
189.05464	2.5
191.03372	10.3
193.04950	5.7
197.05948	1.0
199.03882	0.9
201.05443	4.0
203.03351	11.2
205.04947	2.0
211.03961	0.9
213.05423	4.9
215.03311	0.9
215.07123	0.6
217.04929	2.8
219.03012	0.5
225.05420	1.2
229.04958	5.0
231.06488	3.8
233.04459	4.8
241.04869	1.1
243.06432	0.7
245.04410	7.8
247.05972	0.5
251.05476	2.7
253.04890	0.9
254.13795	0.6
257.04422	10.4
259.05960	1.4
263.05505	3.9
269.04471	0.7
271.05981	2.2
275.05435	14.5
281.04297	0.7
287.05435	28.3
288.05896	0.9
291.04999	0.5
299.05450	17.6
300.05768	0.5
300.14108	0.6
303.04999	0.9
305.06326	0.4
317.06479	7.2
357.33521	0.4
425.08633	5.8
432.28354	0.4
443.19916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
56.05016	4.5
60.02763	1.3
62.74305	1.5
67.05480	3.3
69.03414	5.9
69.07040	3.2
70.06584	4.9
71.04993	1.8
71.21699	2.7
72.08169	1.9
79.05465	1.6
81.03392	3.7
81.07053	6.5
83.06094	64.8
84.08119	2.7
85.02899	3.4
85.06533	2.5
86.09692	4.1
87.51086	1.3
91.05473	4.4
93.07041	3.9
95.01315	29.4
95.04976	3.3
95.08601	5.0
97.02834	1.8
105.07040	5.9
107.04921	3.1
107.08579	4.0
109.06520	2.1
109.10159	3.6
111.04471	2.6
117.07003	2.1
118.89896	1.4
119.04987	1.6
119.08587	5.9
119.30791	1.5
121.10155	5.9
121.45966	1.3
127.03931	1.9
129.07007	2.7
131.08530	9.6
133.10114	3.9
135.08084	1.7
141.06960	2.5
143.08559	2.9
145.10129	3.8
151.07529	3.2
155.08540	3.8
157.10124	4.5
159.08029	55.9
159.09341	2.7
161.09573	3.7
163.14827	1.5
167.06999	2.2
171.11768	1.7
173.09596	4.2
177.09087	7.8
177.16347	3.2
183.08128	1.8
184.07343	5.6
185.07666	3.4
185.09602	1.5
187.07509	2.7
191.10548	2.5
201.09125	5.1
205.08569	4.8
207.10361	1.5
213.12784	1.7
214.05943	1.4
223.11229	2.3
241.12344	1.6
247.09665	3.9
251.10638	4.2
269.11761	7.0
297.11203	3.1
301.83694	1.5
315.12201	41.2
331.48904	1.7
333.13284	100.0
334.13852	2.9
343.11612	8.9
406.98318	1.5
443.18289	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	443.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.3
55.01863	8.2
55.05507	28.4
57.03428	22.0
57.07063	4.2
61.02922	44.9
65.84853	2.9
67.05495	71.6
68.72660	3.0
69.03423	33.5
69.07055	23.8
71.01340	6.7
71.04992	8.6
71.70485	3.4
73.02899	22.9
79.05481	95.8
81.03405	32.3
81.07044	70.9
83.04961	22.2
83.08607	12.8
84.08133	4.3
85.02898	49.6
85.06528	9.6
87.04450	3.9
91.03943	27.9
91.05468	73.3
93.07028	100.0
95.04953	30.0
95.08590	54.7
97.02888	39.3
97.06530	16.1
97.10144	6.1
99.04446	12.3
99.05583	5.8
101.02361	10.3
103.03926	7.9
103.05473	3.4
105.07011	60.1
107.04942	12.2
107.08572	34.9
109.02865	15.8
109.06519	14.0
109.10150	20.4
111.04443	8.2
111.08094	4.9
117.07018	14.6
119.04913	4.8
119.08562	38.9
120.76943	2.7
121.06505	11.6
121.10102	17.7
123.08057	20.2
123.11714	6.3
125.06038	2.8
127.03910	26.2
129.05466	4.6
129.06996	27.8
131.08568	12.0
133.06473	6.5
133.10098	21.3
135.08047	12.6
135.11688	8.5
137.09607	8.0
141.06985	3.9
143.08537	18.0
145.04944	7.5
145.10085	27.7
147.07985	7.1
147.11658	67.2
149.09592	8.4
151.07523	87.4
155.08600	5.5
157.10089	8.8
159.06744	3.2
159.08032	8.4
159.11682	12.1
161.09612	14.1
161.13252	26.5
163.07515	3.2
163.11165	7.7
165.09116	44.0
167.06989	3.8
171.11667	60.1
173.09666	6.1
173.13243	6.2
175.07454	5.2
175.11203	12.0
176.08438	4.4
177.09094	38.8
177.12662	4.1
181.08389	2.9
183.06551	4.6
185.13219	3.5
187.11168	10.8
189.09073	3.9
189.12695	28.6
191.10645	66.6
199.11209	4.0
201.12732	4.2
203.10709	4.3
203.18010	2.6
205.12215	36.4
207.13766	47.2
214.18048	12.5
215.14301	3.4
219.13728	6.9
233.15465	3.7
253.19495	4.6
271.20374	4.2
281.17432	75.0
287.16406	4.7
323.18588	6.7
389.19672	3.9
443.13120	9.5
443.22748	6.2
443.32129	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	443.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52234	0.9
53.03938	2.3
55.01853	3.2
55.05502	15.1
57.03421	3.1
57.07057	1.0
59.04985	1.3
62.89762	0.7
65.03937	3.3
67.05137	1.6
67.05494	29.6
69.03418	1.3
69.07050	12.8
70.54002	3.3
71.04981	2.9
79.05479	26.5
81.03402	1.3
81.07047	28.9
83.04966	2.2
83.08174	0.8
83.08610	8.4
85.06526	2.9
91.05466	36.9
93.07027	24.8
94.40215	0.7
95.04955	7.8
95.08589	16.8
97.06521	4.5
97.10146	2.7
101.90192	0.9
103.05437	2.3
105.07012	28.3
106.07327	1.1
107.04928	4.8
107.08569	9.4
109.06503	5.9
109.10128	7.7
111.04408	0.8
111.08049	2.1
115.05435	4.7
116.06235	1.2
117.07003	22.9
119.04906	2.1
119.08560	16.1
120.08913	0.7
121.06492	6.2
121.10116	7.1
123.04440	1.1
123.08036	3.6
123.11637	1.9
125.05978	1.3
125.09616	2.4
128.06206	9.2
129.05499	1.1
129.06982	29.0
130.07646	1.0
131.04892	1.9
131.08543	29.7
133.06464	4.8
133.10107	10.6
135.08026	5.1
135.11681	3.8
137.09598	3.0
141.06958	12.6
142.07713	3.2
143.08545	29.2
144.09161	1.3
145.06477	7.5
145.10088	15.8
147.08052	4.7
147.11658	4.6
149.09598	5.0
149.13266	1.7
151.07498	2.1
151.11176	1.0
153.06998	1.8
154.07767	2.6
155.05991	0.8
155.08528	19.5
156.09291	1.5
157.06494	2.3
157.10107	15.2
159.08009	5.1
159.11713	5.9
161.09621	3.5
161.13287	1.2
163.11162	2.2
165.07024	2.6
165.09070	6.2
166.07782	1.6
167.08536	8.5
168.09303	2.2
169.10095	12.8
171.08032	3.6
171.11647	7.5
173.09607	2.7
173.13260	3.5
175.07564	1.0
175.11160	2.1
177.12759	1.3
178.07748	1.7
179.08501	4.3
180.09270	1.4
181.10083	10.7
182.10854	1.0
183.08020	1.6
183.11687	10.6
185.09628	1.8
185.13225	6.5
187.11206	2.5
187.14841	1.6
189.12747	1.7
191.10649	1.2
193.10089	4.3
195.11642	8.6
196.46954	0.8
197.09607	1.9
197.13248	6.0
199.11147	2.5
199.14853	2.7
201.12769	2.4
201.16368	0.9
203.14218	0.9
205.10152	1.2
206.10954	1.3
207.11700	4.5
208.12292	1.1
209.13243	8.8
211.11174	3.2
211.14798	4.2
213.12685	5.9
215.14328	2.0
219.11667	1.4
221.13147	6.6
222.13969	0.8
223.14816	5.6
225.12762	3.2
225.16353	1.9
227.14330	2.3
229.15872	1.4
231.13773	2.2
233.13261	1.9
233.15416	1.3
235.14798	3.4
237.16400	1.0
239.14299	3.6
239.17918	1.3
241.15794	2.2
243.13687	1.6
245.15416	1.4
247.14711	1.4
247.16937	1.0
249.16418	1.7
251.14207	1.8
251.18086	0.9
253.15894	3.3
253.19589	1.3
257.15338	2.5
259.17010	1.0
267.17386	2.1
269.15491	1.0
271.16910	3.8
271.20313	0.8
279.96793	0.8
283.16782	1.1
285.18518	2.0
305.22504	1.7
323.20367	1.2
323.23654	7.1
331.18890	2.2
333.22028	9.3
341.24612	8.1
345.20816	1.9
351.23141	23.8
352.23645	1.9
369.24194	40.6
370.24634	2.2
387.25232	12.4
407.25684	1.5
415.28491	1.1
425.26657	5.5
443.27875	100.0
444.28314	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	443.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.7
60.05643	6.1
66.73779	0.6
67.05504	1.0
68.49554	0.5
69.03440	1.1
69.07066	9.4
70.06580	23.1
71.04977	0.8
71.29116	1.3
71.33324	0.5
72.08129	2.4
79.05470	0.8
81.03388	1.2
81.07043	1.2
83.06091	4.3
84.08141	1.4
85.02892	2.2
85.07639	1.7
86.09693	100.0
87.10006	1.0
91.05438	0.9
95.04948	0.8
95.08582	0.9
97.02850	1.2
97.07647	0.7
105.06992	1.2
107.04987	0.9
109.02921	0.6
109.06439	0.6
109.10125	0.9
112.05094	0.6
112.08714	3.5
115.08685	4.5
116.07076	7.3
119.08588	1.3
126.68053	0.5
127.03991	0.7
128.10706	15.3
128.11627	0.9
130.09743	2.7
133.06406	0.7
133.09863	0.7
136.07556	0.7
137.09590	1.1
139.03883	1.0
141.06841	0.5
147.04430	1.5
147.11678	1.0
152.07111	0.6
156.10196	1.0
156.11324	7.8
158.09235	7.1
159.07973	0.7
171.11716	0.8
175.11908	17.5
189.70026	0.5
193.12218	0.8
201.09323	0.6
205.12256	0.8
240.28473	0.6
263.16370	0.9
268.12119	1.4
269.18527	0.9
271.17612	8.6
381.14328	0.5
425.22595	1.6
425.28125	1.3
443.19196	2.6
443.29718	92.9
444.30194	4.5
468.42990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01849	1.1
55.05498	3.3
57.03403	0.8
57.07046	1.0
61.02925	0.5
65.03925	0.5
67.05495	7.2
69.03424	2.1
69.07060	4.3
70.06580	0.7
70.28716	1.8
71.04963	1.2
71.08588	0.4
77.03931	0.4
77.28591	0.3
78.51466	0.5
79.05479	3.6
81.03398	1.1
81.07043	9.6
83.04971	1.8
83.08596	1.3
85.02897	0.7
85.06498	0.5
85.31134	0.4
87.00758	0.4
91.05466	3.7
93.07026	4.3
94.07335	0.3
95.04947	1.5
95.08593	7.8
97.02851	0.8
97.06507	0.9
97.08437	0.4
97.10146	1.2
99.04469	0.6
99.05547	1.2
99.08078	0.5
103.05402	0.4
105.07019	3.7
107.04939	1.5
107.08578	3.6
109.06482	1.3
109.10136	8.4
111.04409	0.4
111.08080	0.7
111.11681	0.8
116.10606	0.5
117.06985	1.1
119.08560	4.9
121.06480	1.0
121.10130	2.3
122.07243	2.0
123.08042	1.7
123.11691	2.5
125.05989	0.6
127.03901	0.6
127.11161	0.5
128.06174	0.6
129.06984	1.6
131.08556	2.7
133.06407	0.7
133.10109	1.9
135.08020	1.5
135.11650	1.3
137.05962	1.4
137.09599	12.1
137.13246	1.1
137.19334	0.4
141.07002	0.8
142.07793	0.4
143.08575	2.1
145.10094	2.2
147.08038	0.8
147.11681	1.8
149.09573	4.2
149.13261	0.9
151.07536	3.7
151.11137	0.5
151.14699	0.5
153.05434	0.5
155.08562	1.4
157.10083	1.3
159.08025	0.7
159.11682	1.8
161.09642	1.9
161.13188	0.7
163.11176	1.0
165.09091	100.0
166.09445	1.6
169.10120	1.0
171.08214	0.3
171.11670	1.0
173.09546	1.1
173.13231	0.7
175.11185	1.8
176.11548	0.3
176.13293	0.4
177.09081	2.7
177.12767	0.5
179.10683	1.1
181.10104	0.4
183.11630	0.8
185.09605	0.5
185.13266	0.5
187.11185	1.5
189.09091	0.5
189.12746	1.6
190.09871	1.3
191.10686	2.4
195.11707	0.7
199.11081	0.4
201.12656	0.6
203.10672	0.6
203.18002	0.4
205.12199	9.2
205.19417	0.4
207.13695	0.4
209.13354	0.4
213.12788	0.5
227.14375	0.5
239.17709	0.5
245.15381	0.4
253.19460	1.0
267.26776	0.5
271.20493	1.0
281.17572	0.4
291.26740	0.7
345.24548	0.7
351.23233	1.0
369.24292	0.5
425.26599	1.0
443.14185	0.7
443.27466	3.8
443.35822	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	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
57.07078	0.5
58.05690	0.4
67.05496	5.5
69.03417	1.0
69.07054	3.0
71.04973	1.1
71.08597	0.4
71.18259	0.4
71.70280	0.5
79.05477	2.0
81.03391	0.8
81.07050	6.0
83.04951	1.2
83.08604	1.2
85.02872	0.5
85.06511	0.5
86.70918	0.3
90.40350	0.4
91.05487	1.9
93.07025	3.4
95.04949	1.1
95.08599	5.0
97.06525	2.4
97.10110	0.5
99.08043	0.4
99.45662	0.4
100.11208	0.5
105.07023	2.0
107.04864	0.8
107.08598	2.7
107.09201	0.5
107.09566	0.4
109.06497	0.8
109.10135	6.9
110.10561	0.4
111.04390	0.7
111.08022	0.4
117.07011	0.9
119.08548	3.9
121.06469	0.7
121.10124	2.0
122.07258	1.4
123.04440	0.4
123.08030	1.1
123.11668	1.6
125.05939	0.7
125.09578	0.5
127.03902	0.5
127.11145	0.4
128.06207	0.4
129.06982	0.8
131.08563	1.2
133.10129	1.2
135.08035	1.8
135.11678	0.9
137.06029	0.6
137.09601	11.2
137.13214	0.8
143.08534	1.2
145.10095	1.4
145.88858	0.4
147.08047	0.5
147.11676	1.0
149.09590	3.5
149.13208	0.9
151.07530	3.5
151.11166	0.5
151.14687	0.4
153.05438	0.3
155.08592	0.6
157.10097	1.1
159.11647	0.8
161.09586	0.9
161.13287	0.7
163.11133	0.4
165.09093	100.0
166.09454	2.4
167.08432	0.4
169.10124	0.8
171.11708	0.8
173.09668	0.6
175.11206	1.2
177.09073	1.2
179.10687	0.9
183.11780	0.5
185.09546	0.5
187.11244	0.6
189.12737	1.1
191.10612	1.6
195.11723	0.4
203.14331	0.5
205.12263	3.4
205.19437	0.7
213.12753	0.4
249.11311	0.5
249.18607	0.5
253.19568	0.4
273.25720	0.8
291.26733	0.6
302.73288	0.3
317.06165	0.4
331.04510	0.6
443.13232	3.5
443.27930	1.3
443.35040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56628	1.1
55.05503	2.8
59.86396	0.9
67.05490	2.6
69.07048	2.5
69.43237	7.4
69.43664	3.4
70.06561	1.2
72.08132	1.3
77.54563	0.9
79.05489	2.1
81.07034	5.1
83.08629	1.5
84.08110	1.7
85.02866	1.5
91.05419	2.0
93.07035	3.0
95.08584	3.5
99.04499	1.6
105.07017	3.0
107.08566	2.6
109.06553	1.6
109.10148	2.7
117.06998	1.6
119.08527	1.6
121.10114	1.3
129.07004	2.9
131.08557	2.6
133.10004	1.6
135.08022	1.3
135.11647	1.5
137.09616	1.2
140.04945	3.2
144.08884	1.3
145.10139	2.3
151.07530	5.3
154.06493	2.2
155.06006	19.4
159.08026	1.6
159.11679	1.4
161.09601	3.0
165.09088	9.2
167.05995	5.5
167.08414	1.6
168.06827	3.6
169.07581	33.5
169.08977	2.0
170.06036	2.5
170.08185	1.3
171.11671	1.4
175.11140	2.3
176.11531	1.4
177.09129	1.9
179.06021	8.9
181.07607	3.9
182.06055	2.2
182.08366	1.5
183.05515	20.7
183.07047	2.0
183.09135	2.0
185.07066	10.9
187.11147	1.8
188.11485	1.4
189.12730	1.3
191.10545	2.6
192.06761	1.3
192.11028	1.2
193.07538	12.5
194.06114	2.2
195.05504	21.0
196.06276	13.1
197.07069	25.0
198.05504	6.0
198.07109	1.6
201.06567	2.8
205.12299	2.0
207.05545	5.6
208.06306	1.5
209.07045	3.1
210.07884	1.6
211.05023	2.7
211.08589	6.1
213.06577	23.2
215.14284	1.4
220.91005	1.2
221.07082	20.5
225.06540	47.0
226.06841	1.8
229.06042	24.4
237.06548	5.5
238.07356	3.8
239.04440	3.0
239.05539	1.6
239.08109	25.8
241.06082	4.8
243.07629	5.9
249.06529	10.1
253.06126	4.1
256.08475	1.4
257.05554	5.7
265.05957	2.2
267.07587	18.7
269.05438	5.2
271.07108	33.9
277.06027	12.9
285.08643	27.8
295.07092	40.9
313.08167	30.4
314.08606	1.2
331.09268	9.3
338.14975	5.6
352.23474	3.2
359.02982	1.6
362.14908	1.3
370.24310	1.5
380.16089	13.0
381.16116	1.5
384.15494	47.6
385.15671	1.5
398.17047	28.2
426.16537	40.9
426.26569	2.2
444.17618	100.0
444.28027	6.5
445.17789	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	445.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.5
56.05029	5.8
57.04549	0.7
59.06113	48.5
60.04227	1.0
60.04514	14.2
67.05486	2.7
69.03400	1.3
69.07049	1.0
69.77007	4.5
72.04490	0.7
74.02412	1.5
74.06068	2.8
74.77030	0.7
79.05479	2.7
81.03403	1.2
81.07037	2.7
83.06081	3.1
84.04485	2.4
85.02882	2.4
85.06523	0.7
85.07626	1.9
85.13683	0.6
91.05476	2.5
93.07033	2.5
95.04943	2.7
95.08587	2.6
97.06514	1.1
97.10168	0.8
99.05560	1.5
100.07615	1.2
100.11221	0.8
101.03500	1.5
101.07121	100.0
102.05525	21.0
102.07458	1.5
102.09158	1.1
105.07011	3.1
107.08550	3.5
109.02850	1.1
109.06508	1.9
109.10116	1.8
119.08549	1.7
121.02870	1.1
121.06496	1.1
121.10110	2.1
123.04447	0.9
123.08057	1.2
129.07013	1.4
131.08530	1.5
133.10121	2.1
135.08060	1.1
137.05994	0.8
139.11177	0.9
141.07033	0.7
142.07750	0.9
143.08533	2.2
145.06511	0.9
145.10117	2.5
147.08069	0.8
147.11693	1.5
151.07523	3.8
151.70641	0.6
153.01813	0.8
155.08588	0.9
157.10130	4.4
159.08012	1.0
159.11688	1.9
161.05945	1.2
161.09633	2.1
163.07509	2.1
165.09216	1.5
167.08540	1.2
168.25755	0.7
171.11676	1.2
173.09645	1.0
173.13376	0.6
173.34785	0.9
175.11230	1.3
177.09152	1.3
179.03542	0.9
181.10197	0.9
181.24286	0.7
181.87402	0.7
183.11742	0.7
185.09590	1.4
191.10670	1.0
197.13199	0.8
211.14836	1.0
213.16438	2.0
219.02963	1.1
231.17383	0.9
235.11470	0.8
243.32733	0.8
247.02434	1.4
249.11180	1.0
253.19542	2.8
271.20517	5.9
273.22906	0.7
277.73398	0.6
285.18549	0.9
299.12744	1.6
317.13696	5.6
341.06497	1.0
360.14420	2.3
391.26025	0.7
401.08807	0.9
403.15118	0.8
409.27197	2.2
413.08661	4.7
414.08966	1.1
427.28214	1.9
445.19366	2.4
445.29428	3.4
446.17139	0.9
449.31775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1964
Annotation	Catuabine F
Peak:m/z	Relative Intensity
53.91827	0.3
55.05503	2.5
56.01355	0.3
59.05061	0.4
59.90171	0.3
66.75339	0.3
67.05477	0.7
68.96691	0.3
69.03425	0.9
69.07052	0.3
70.06577	1.7
71.69496	0.5
71.69889	0.4
72.07767	0.6
72.08143	9.8
73.04728	1.1
74.06021	0.3
79.05467	0.9
79.22028	0.3
81.03413	0.6
84.08111	0.8
85.02895	1.0
85.07672	0.5
86.09682	1.4
91.05853	2.8
93.07036	0.5
93.07590	0.3
95.04976	0.5
97.02864	0.7
98.06042	7.2
100.86745	0.3
105.07022	1.4
107.04929	1.0
107.08576	0.7
107.79478	0.3
108.04488	0.5
109.02834	0.6
109.06538	0.4
109.10135	0.7
110.02345	0.7
117.07014	1.2
119.04943	0.5
119.08556	0.9
123.04389	0.8
124.03900	0.6
127.03913	0.7
128.06233	0.6
129.06941	0.6
129.10216	0.3
131.08525	0.7
132.80826	0.3
133.10117	1.3
135.04358	0.6
136.03879	1.5
136.07536	0.4
137.09633	0.6
137.39517	0.3
139.03859	0.7
141.06955	0.4
143.08510	2.0
145.10121	0.4
147.04434	0.6
150.05487	0.5
151.03931	0.8
155.08521	1.3
157.10106	1.1
159.08083	2.0
159.11655	0.3
161.09584	2.6
167.05482	1.6
167.08553	1.0
169.10109	0.8
171.07988	0.5
172.08517	0.3
177.05438	0.5
178.08707	0.9
179.09589	0.4
181.10081	0.7
183.08096	0.5
183.11668	0.8
185.09528	0.7
185.13133	0.5
191.08466	0.5
193.10089	1.2
195.08028	0.7
195.11545	1.1
197.11613	0.5
208.64645	0.3
209.09631	1.0
211.11142	1.7
219.08128	0.5
219.10168	0.8
221.09615	0.9
223.11143	0.5
225.04253	0.5
231.34906	0.3
237.09164	1.9
239.10658	1.1
248.10768	0.7
250.12265	0.5
255.10199	0.5
257.11697	1.0
265.08612	0.6
266.11823	0.9
271.13168	0.4
273.11313	0.5
275.12729	0.8
276.10168	0.7
278.11676	0.6
282.11343	0.4
283.09653	0.8
294.11209	1.0
296.12778	0.4
298.48712	0.3
303.12210	0.5
311.09128	0.6
312.12384	0.9
315.12357	0.6
320.62045	0.3
322.10754	0.8
327.11038	0.8
328.11725	0.8
330.13513	0.4
336.15845	0.8
340.11798	1.4
342.99802	0.5
354.17245	0.4
357.09769	0.6
358.12796	1.0
359.02835	2.1
360.02460	0.4
369.40436	0.4
380.90939	0.3
381.17758	0.4
382.16425	6.1
386.12198	5.1
387.12265	0.5
399.19122	5.2
400.17651	1.2
404.13367	5.3
413.17090	0.7
417.20178	0.7
427.18781	1.0
428.17032	9.3
429.17264	0.5
445.19656	100.0
446.19952	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	445.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60355	3.2
53.03929	5.5
55.05508	8.5
57.03439	17.9
62.14477	2.8
65.46309	3.1
67.05492	36.7
69.03436	17.3
69.03746	3.5
69.07064	5.2
71.04981	100.0
71.70489	4.4
79.05481	13.3
81.03405	46.3
81.07041	59.3
83.04960	11.5
83.08575	4.2
85.02900	10.3
85.06508	6.0
88.03426	3.1
91.05434	29.5
93.07026	18.2
95.04939	6.5
95.08579	8.6
97.02867	25.5
97.06509	7.1
97.32020	3.2
99.04425	8.7
105.07005	19.2
107.08582	15.0
109.02872	7.1
109.10108	6.1
111.04419	6.5
115.26192	3.6
117.07001	5.8
121.10049	4.0
123.11688	12.6
127.03909	11.7
128.21132	2.9
129.05457	4.4
131.08559	6.6
132.07957	3.4
133.10114	33.0
135.11717	4.4
149.13222	4.8
151.11166	17.3
159.11707	7.5
169.12299	4.1
173.04472	22.9
177.12723	8.3
183.13824	13.7
187.13304	26.8
195.13785	10.1
201.14726	17.5
243.15956	5.4
257.17456	44.7
257.90375	4.1
269.17496	4.3
278.31271	3.2
287.33777	3.1
301.19925	5.6
310.50708	3.2
315.63007	4.0
339.17923	5.1
413.21603	13.3
445.24268	71.7
445.29828	7.4
446.24475	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	445.2941
Annotation	Foetidinol
Peak:m/z	Relative Intensity
50.76603	1.4
51.94193	1.4
53.03939	1.9
55.01853	4.8
55.05495	4.3
65.03919	2.1
67.05491	16.5
69.03400	8.1
69.07056	4.3
70.06586	3.1
71.04974	4.1
72.08093	1.4
79.05484	17.2
81.03377	2.1
81.07039	32.0
83.04969	6.3
83.06096	11.9
83.08605	3.6
85.06520	4.2
86.09700	2.9
91.05401	15.9
93.07021	18.1
95.04955	28.8
95.08594	20.9
97.06529	4.4
98.20744	4.6
99.04453	2.7
105.07011	24.4
107.04926	1.9
107.08570	26.9
109.06505	34.6
109.10125	9.6
111.04424	3.0
115.05427	3.0
117.06989	15.0
119.08551	17.6
121.06461	11.6
121.10116	8.1
123.04419	22.5
123.08035	10.4
123.11662	2.1
128.06229	2.8
129.06990	8.7
130.07727	1.4
131.08542	27.6
133.10100	24.9
135.08026	37.5
135.11670	3.5
137.05971	3.4
137.09595	5.0
139.07555	1.9
141.07002	2.6
142.07764	8.3
143.08533	28.5
145.06467	4.9
145.10091	23.4
147.08040	3.6
147.11656	9.7
148.05209	1.5
149.09581	12.5
151.03906	2.1
151.11198	2.5
153.09106	2.8
155.08542	6.8
156.09317	4.1
157.10095	58.1
158.10689	1.9
159.08047	5.2
159.11674	11.5
159.93462	1.4
161.09627	3.1
161.13231	2.3
163.07507	54.0
163.11130	3.1
165.09082	3.5
167.05550	3.4
167.08623	2.0
169.10036	12.0
170.10828	2.1
171.11652	38.6
171.13054	2.6
172.12057	1.7
173.09558	1.6
173.13210	5.5
175.11113	1.8
177.09074	36.9
179.08513	1.7
179.10645	6.1
181.08533	4.2
181.10124	5.7
182.11000	2.6
183.11653	8.5
184.12427	2.1
184.70404	1.5
185.09612	1.6
185.13188	14.5
185.14571	1.5
187.11156	2.6
187.14804	1.9
193.10187	2.1
195.11710	3.5
196.12442	5.2
197.13272	8.9
198.14049	5.3
199.14870	3.4
201.12811	1.7
207.11824	2.1
209.13260	4.1
211.14781	31.4
213.16342	98.7
214.16824	4.0
220.12523	2.0
221.13362	3.9
223.14890	2.9
224.80359	1.6
225.16338	3.4
229.15828	20.8
231.17409	30.0
235.14871	4.4
237.16307	4.7
239.18039	1.7
249.16394	2.7
251.17940	5.2
253.19411	5.2
269.18973	6.4
271.20480	5.9
277.19287	1.8
279.21140	2.5
295.20770	2.0
297.22183	2.7
309.21927	1.7
315.23141	4.1
317.13782	4.0
323.20053	3.9
327.22983	2.1
339.23080	2.3
345.24319	3.4
351.23065	2.8
359.02771	5.6
363.14340	3.2
373.25232	4.7
381.27625	2.1
391.26208	17.7
392.01590	1.7
397.27350	4.8
409.27301	100.0
410.27713	4.4
427.28430	56.6
427.33176	1.1
445.29327	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	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70784	2.5
55.01847	3.3
55.05503	14.3
57.07053	3.6
67.05193	3.1
67.05499	42.3
69.07059	14.8
71.04964	9.4
71.69791	2.9
79.05488	29.1
81.03383	4.5
81.07049	34.1
83.04925	4.3
83.08598	5.5
91.05441	50.4
93.07027	34.7
95.04931	8.4
95.08596	26.5
97.06522	4.1
101.42207	2.8
103.05429	4.5
104.22559	2.9
105.07016	48.8
107.04929	4.2
107.08556	11.9
109.06499	4.4
109.10155	9.7
115.05464	4.8
117.07016	24.6
119.08558	26.6
121.06477	3.7
121.10119	10.1
123.08058	3.6
129.07001	13.9
131.08554	36.7
133.06479	4.0
133.10124	17.5
135.08096	3.2
135.11717	4.6
141.06958	9.1
143.08548	16.5
145.10103	22.7
147.11612	2.9
149.09598	4.6
155.08498	11.7
157.10081	11.3
159.07945	3.9
159.11626	9.1
167.08582	3.4
169.10118	4.8
171.11656	9.0
173.13164	4.5
181.10097	5.5
183.11664	3.3
185.13242	5.3
195.11708	5.8
197.13203	3.5
211.14745	3.1
212.02553	3.3
225.16252	3.8
325.25305	4.9
335.23709	6.3
343.26202	9.3
353.24692	19.9
371.25821	19.8
389.26880	16.2
445.23956	5.4
445.29398	100.0
446.29990	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	445.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.8
53.00309	1.1
53.03923	3.7
55.01855	3.3
55.05502	18.7
57.03433	2.7
65.03924	3.8
67.05494	50.8
69.07061	14.6
69.96539	6.7
71.04978	3.6
74.14598	1.0
79.05480	45.2
81.03380	1.5
81.07042	42.2
83.04966	4.5
83.08611	7.4
85.06510	2.6
91.05457	60.1
93.07029	41.8
95.04943	8.6
95.08593	29.1
97.06501	5.6
97.10170	1.7
100.56995	1.3
103.05435	2.6
105.07011	49.1
106.07322	1.1
107.04929	5.4
107.08575	18.3
109.06502	4.0
109.10155	11.0
111.08073	2.7
113.00025	1.7
115.05438	4.2
116.06214	1.5
117.07001	27.6
119.08562	35.1
121.06487	4.5
121.10128	11.5
123.08006	3.4
123.11635	1.3
125.09645	1.9
128.06201	5.0
129.06993	21.4
130.07805	1.6
131.08548	41.4
131.60864	1.1
133.06456	2.8
133.10115	16.9
135.08020	3.1
135.11685	5.2
137.09555	3.0
141.06981	6.5
142.07770	2.4
143.08534	19.7
145.06458	2.8
145.10103	25.5
147.08043	3.7
147.11633	5.7
149.09557	2.2
149.13249	2.2
151.11238	1.2
153.07083	1.1
155.08521	11.6
157.10117	10.9
159.07996	2.3
159.11685	10.9
161.09595	2.4
161.13194	3.7
163.11203	1.4
167.05544	1.2
167.08507	2.5
169.10089	7.2
171.08012	1.6
171.11682	8.3
173.09700	2.0
173.13240	5.0
175.11154	1.4
177.12766	1.3
180.09407	1.2
181.10133	4.7
183.11723	5.3
185.09517	1.4
185.13211	3.6
187.11113	1.5
187.14841	3.2
195.11671	3.8
197.13214	5.1
199.11221	1.5
199.14734	2.6
201.12755	2.3
201.16341	2.3
203.14241	1.2
207.11667	1.4
209.13260	3.7
211.14796	3.8
213.16467	1.4
215.14401	1.6
217.15901	1.8
221.13257	1.7
223.14749	3.3
224.15636	1.3
225.16455	3.4
227.14285	1.7
227.17903	1.7
229.15921	1.5
233.15440	2.3
235.14772	1.5
237.16365	2.1
241.15988	2.0
243.17555	1.6
245.15411	1.9
247.16989	4.4
255.17358	1.1
259.16827	1.4
273.18396	2.0
282.56174	1.1
325.25183	2.9
335.23688	6.2
343.26144	5.7
353.24677	22.5
359.03052	1.7
371.25760	19.0
389.26797	16.9
400.66888	1.1
427.28281	3.4
445.29437	100.0
446.29849	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03942	3.3
55.01850	2.7
55.05504	16.5
57.03416	2.7
57.07059	1.3
59.16488	0.6
65.03917	2.6
67.05495	38.8
69.03413	1.2
69.07060	13.3
69.24681	0.6
69.34900	0.5
69.92760	3.2
71.04972	2.7
77.03896	0.8
79.05482	33.5
81.03406	1.8
81.07043	35.6
83.04963	2.6
83.08594	5.6
85.06514	2.2
91.05461	52.9
93.07030	34.8
94.07359	0.9
95.04958	9.2
95.08591	25.9
97.06521	5.0
97.10139	2.6
103.05438	2.7
104.37008	0.6
105.04539	0.9
105.07011	46.1
106.17574	0.6
107.04946	4.9
107.08578	14.4
109.06505	4.9
109.10144	10.3
111.08044	2.0
115.05415	3.3
116.06219	1.3
116.64833	0.6
117.06168	1.3
117.07000	24.1
119.04910	0.9
119.08560	28.3
119.09415	1.4
121.06487	4.3
121.10127	10.1
123.08061	3.2
123.11677	1.8
125.09574	1.8
128.06181	4.2
129.06996	18.1
130.07773	1.7
131.04880	0.6
131.08543	37.6
133.06451	3.5
133.10107	14.8
135.08058	2.8
135.11670	4.5
137.09604	2.3
137.13145	0.6
139.11154	0.9
141.06970	5.5
142.07774	2.4
143.08543	15.9
144.09268	0.8
145.06483	3.2
145.10095	20.6
147.08046	3.6
147.11653	3.7
149.09584	2.3
149.13298	1.1
151.11137	1.5
153.06914	0.9
155.08527	9.1
156.09285	0.8
157.10106	10.8
159.08000	1.8
159.11661	9.8
161.09570	2.2
161.13260	2.1
163.11168	1.4
166.07791	0.6
167.08533	3.5
169.10110	6.8
171.07994	0.9
171.11691	7.5
173.09590	1.2
173.13226	3.3
175.11134	1.7
175.14790	1.2
177.12761	1.2
179.08588	0.8
179.86719	0.5
181.10059	4.8
183.11671	5.3
185.09605	0.9
185.13191	4.1
187.11136	1.7
187.14781	2.3
189.12703	1.1
195.11653	4.1
196.63380	0.6
197.13177	4.3
199.11124	1.3
199.14856	2.9
201.12785	1.2
201.16353	1.3
209.13210	3.1
211.14813	4.5
213.12614	1.3
213.16431	1.4
215.14299	2.3
215.17876	0.7
217.15919	1.7
219.13780	1.1
221.13132	0.8
221.15295	0.8
223.14789	3.9
225.16382	1.9
227.14194	1.5
227.17729	1.1
229.15872	2.4
231.13710	0.8
233.15331	2.2
235.14713	0.7
237.16377	1.3
239.17908	1.1
241.15929	2.1
243.14024	0.7
243.17316	1.2
245.15392	1.1
247.16853	3.9
255.17358	1.7
257.19180	0.8
259.16910	2.3
261.18484	2.4
269.19009	1.1
271.17059	0.7
273.18341	1.6
287.20016	0.7
307.24237	0.7
311.70926	0.6
325.25238	3.7
333.20447	0.8
335.23688	5.6
335.59915	0.7
343.26291	5.0
347.22275	0.7
353.24704	19.4
354.25189	0.8
371.25775	18.3
372.26178	0.8
389.26813	19.0
390.27002	0.9
427.28311	3.7
445.29437	100.0
446.29758	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.9
53.03929	5.6
55.01853	2.8
55.05502	19.2
57.03423	3.1
57.07058	1.9
65.03930	3.1
67.05492	45.7
68.05834	1.5
69.07053	12.7
69.88503	2.6
69.88915	3.5
71.04975	3.5
73.04705	0.9
77.03899	1.1
79.05479	38.8
81.03404	2.1
81.07042	44.2
83.04951	2.9
83.08607	9.4
85.06521	2.0
90.24366	1.1
91.05457	57.1
92.05809	1.2
93.07024	39.0
93.46429	1.0
95.04945	9.8
95.08588	26.5
96.08865	1.0
97.06497	4.1
97.10127	4.1
103.05430	3.2
105.03374	1.5
105.07008	51.3
107.04932	5.3
107.08576	15.5
109.06487	4.8
109.10139	8.8
109.90702	1.0
111.08061	1.3
112.99925	1.0
115.05394	2.6
116.06233	1.3
117.06993	24.4
117.66060	0.8
119.04926	1.4
119.07733	1.8
119.08558	28.9
121.06475	5.0
121.10115	10.7
123.08062	4.5
123.11680	1.3
125.02071	1.2
125.09682	1.3
128.06180	5.4
129.06981	15.0
131.04871	1.3
131.08543	36.6
133.06485	2.7
133.10106	16.9
135.08006	4.9
135.11699	4.9
137.09573	3.2
139.87154	0.9
141.06972	7.4
142.07771	2.5
143.08533	16.8
145.06473	2.6
145.10092	19.4
147.08015	4.4
147.11690	5.6
149.09592	3.5
149.13293	1.3
153.07011	1.7
155.08511	10.7
156.09315	1.4
157.06491	1.6
157.10109	14.0
159.08026	1.7
159.11678	10.2
161.09583	1.8
161.13286	2.8
163.11157	1.6
167.08543	2.9
169.10083	8.9
171.08043	1.5
171.11650	8.8
173.13231	3.9
175.11165	2.7
175.14755	1.2
181.10098	3.8
183.11684	4.0
185.13211	5.2
187.11148	2.3
187.14793	3.6
187.56870	1.2
189.12689	1.3
193.12216	1.2
195.11731	4.0
197.13184	5.1
199.11275	1.6
199.14806	3.4
201.12788	1.4
203.14270	1.1
209.13234	2.8
211.14780	5.0
213.12679	2.0
213.16368	2.6
215.14281	2.6
218.62738	1.0
221.13167	1.5
223.14749	3.5
223.16792	1.2
225.04309	1.1
225.16254	2.2
229.15840	2.2
233.15283	1.8
240.35588	1.0
241.15822	2.3
243.17429	1.4
247.16907	4.1
255.17488	2.2
259.16974	2.7
261.18506	1.8
271.16885	1.3
271.20636	0.9
273.18457	1.8
274.65701	1.0
280.80148	1.0
313.25674	1.1
325.25311	4.3
335.23792	5.0
343.26340	6.0
353.24628	15.8
359.02707	1.4
371.25732	19.4
389.26840	18.5
427.28189	5.0
441.46149	1.1
445.29437	100.0
446.29688	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	445.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01857	3.0
55.05239	0.9
55.05504	18.9
57.03416	3.0
65.03915	3.1
67.05493	39.8
68.05810	0.7
69.07057	14.6
69.88547	4.1
71.04973	2.5
73.06555	0.9
77.88927	0.6
79.05483	36.0
81.03403	1.2
81.07041	37.2
83.04969	3.4
83.08598	6.7
85.06532	2.0
91.05463	52.2
93.07028	36.0
95.04951	6.5
95.08589	23.2
97.06528	3.5
97.10139	2.4
99.08095	1.0
103.05443	2.6
105.04504	1.6
105.07011	52.1
107.04929	3.9
107.08572	16.3
108.08979	0.8
109.06530	4.1
109.10121	7.4
111.08096	1.2
115.05460	4.3
116.06239	2.4
117.06998	23.9
119.04903	1.1
119.08556	29.1
121.06487	5.6
121.10120	12.4
123.08054	3.6
123.11648	1.9
125.09612	1.3
128.06184	4.4
129.06979	17.4
130.07779	0.9
131.08545	43.3
133.06483	2.5
133.10106	16.1
135.08038	3.9
135.11681	5.0
137.09584	1.0
141.06967	6.9
142.07768	2.4
143.08533	14.5
145.06487	2.2
145.10100	23.7
146.10793	0.8
147.07983	4.8
147.11652	4.2
149.09651	3.5
149.13235	1.4
151.11118	0.8
153.07053	1.4
154.07780	0.8
155.08525	11.2
157.06454	1.2
157.10095	12.3
159.08023	2.7
159.11662	9.7
161.09613	2.6
161.13239	2.3
163.11148	0.8
167.08511	3.7
169.10130	8.4
170.10886	0.8
171.07974	1.5
171.11662	8.3
173.09602	1.7
173.13228	4.3
175.11128	1.1
175.14774	1.4
177.12700	1.3
181.10083	4.0
182.10931	1.1
183.11668	6.4
185.09628	1.6
185.11803	0.8
185.13257	4.9
187.11153	2.0
187.14771	3.0
189.12692	0.8
195.11627	3.8
197.13222	4.7
199.11165	2.2
199.14789	3.0
201.12755	1.0
201.16466	1.0
209.13255	3.7
211.14774	3.0
213.12738	2.0
213.16328	1.5
215.14285	1.9
217.15942	1.2
219.13765	1.2
221.15340	0.8
223.14819	2.8
225.16388	1.2
227.14275	2.0
227.17905	1.1
229.15828	0.9
233.15265	3.3
237.16432	1.0
241.15878	2.3
243.17429	1.0
247.16844	3.7
253.16017	1.2
255.17493	1.2
257.19012	1.2
259.16946	2.4
261.18558	1.9
269.19025	1.2
271.16733	1.0
273.18454	2.0
275.20108	1.5
285.18542	0.8
287.20065	1.0
297.22556	0.6
307.23935	1.5
317.21796	0.8
325.25107	5.0
335.23599	6.3
343.26218	7.5
347.22086	0.9
353.24695	21.6
371.21106	1.4
371.25735	21.6
372.26416	1.0
389.26816	23.7
409.27487	1.1
417.30157	0.8
423.08832	0.7
427.28363	5.0
445.29434	100.0
446.29736	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.05489	3.5
67.05490	10.2
69.03384	1.0
69.07010	2.1
70.06969	1.4
70.07370	1.3
71.04975	3.5
71.05305	0.9
73.04720	1.1
79.05474	7.8
81.03354	2.2
81.07037	9.8
83.04919	1.6
83.08561	1.8
85.06492	0.9
91.05392	7.5
93.07028	12.1
95.04898	2.3
95.08587	11.3
97.02856	0.9
97.06461	1.5
97.10155	0.7
98.20522	0.6
98.21147	1.5
99.04441	14.6
101.05965	1.6
105.06357	1.0
105.07009	13.0
107.04926	0.8
107.08578	13.2
109.02835	0.7
109.06476	0.8
109.10136	14.9
111.04376	0.8
111.08021	0.8
115.05395	0.8
115.07542	0.7
117.07009	3.7
119.07875	0.6
119.08568	7.8
121.06497	0.6
121.09280	0.9
121.10123	17.6
122.10480	0.6
123.07983	0.9
123.11660	1.7
125.05972	0.8
127.03858	3.1
128.06108	1.1
129.05447	1.2
129.06985	5.1
129.09039	1.0
130.07701	0.8
131.08543	13.1
133.10106	17.6
134.10475	0.5
135.07988	0.8
135.11693	4.0
137.09535	1.5
139.07536	0.7
141.06921	2.3
142.07774	4.5
143.08530	8.0
144.09138	0.6
145.04926	1.2
145.08960	0.9
145.10091	14.9
147.11650	19.4
149.09584	1.8
149.13187	1.4
151.07489	1.4
151.11150	3.0
155.08517	3.5
156.09315	0.7
157.08711	1.6
157.10094	41.2
158.10437	0.9
159.11665	22.8
160.12009	0.7
161.09578	0.9
161.13136	2.5
163.11104	2.3
165.09079	4.6
167.05591	1.0
167.06992	1.6
167.08383	0.5
169.10103	3.5
171.11662	10.7
173.13249	4.5
175.11162	9.3
177.09023	0.8
177.12720	1.7
179.10602	0.6
181.10022	1.2
182.10880	1.3
183.11656	5.6
184.12228	0.5
185.13223	3.7
187.14836	0.9
191.07115	0.6
191.10625	0.8
195.11699	0.7
196.12418	1.0
197.13213	8.2
198.14099	0.7
199.14732	1.8
201.12711	0.6
201.16197	0.6
205.12173	1.0
209.13220	2.3
211.12979	0.7
211.14806	7.8
213.16324	1.5
223.14764	1.4
224.15517	3.6
225.16324	3.8
237.16159	0.5
238.17059	1.8
242.16464	0.6
253.19469	59.5
254.19777	2.0
271.20514	100.0
272.20959	4.6
273.14847	0.6
273.21930	0.6
285.22122	0.6
291.10117	0.7
353.11359	1.9
353.24387	1.2
359.02875	1.4
399.29062	3.8
409.27097	2.5
427.27798	4.6
445.29388	17.5
445.35294	0.9
446.29849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01855	4.5
55.05504	16.9
57.03419	4.1
65.03913	2.5
67.05138	3.1
67.05489	44.0
67.29776	2.3
69.07052	15.8
71.68866	2.2
71.69334	3.0
79.05074	3.5
79.05482	36.8
81.03370	3.7
81.07046	37.9
83.04942	3.0
83.08591	7.1
85.06536	3.1
91.05435	49.6
93.07019	39.6
95.04945	8.6
95.08597	21.7
97.06467	2.3
97.10149	5.6
105.07012	51.1
107.04932	8.7
107.08559	16.6
109.06499	4.9
109.10109	10.0
112.69519	2.8
115.05413	4.5
117.06991	23.8
119.08559	31.3
121.06493	5.9
121.10109	11.0
123.11658	3.1
128.06181	3.5
129.06982	19.4
131.08542	39.8
133.06454	3.0
133.10100	14.3
135.08009	3.3
135.11674	6.6
141.06966	5.0
142.07721	2.9
143.08540	16.2
145.06525	3.9
145.10114	25.5
147.08040	4.6
147.11714	5.8
149.09570	4.5
155.08504	8.1
157.10075	10.3
159.11681	10.4
167.18332	3.0
169.10129	6.2
171.11678	6.2
173.13129	3.4
176.67323	2.7
181.10139	4.3
183.11681	7.5
185.13249	6.6
187.14854	3.7
195.11703	3.3
197.13176	3.5
199.14821	3.7
201.16441	2.7
209.13261	4.7
211.14737	3.5
215.14253	2.7
223.14813	3.1
243.17209	2.8
247.16907	4.5
261.18591	3.7
287.19803	3.6
335.23712	7.4
343.26422	4.5
353.24625	19.2
371.25809	15.4
389.26941	17.2
427.28223	4.6
445.23123	5.0
445.29364	100.0
446.29697	5.6
449.52313	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44847	1.9
53.03921	4.3
55.01852	6.9
55.05494	8.5
57.03418	3.1
65.03929	3.7
66.83742	2.3
67.05493	30.5
69.03416	20.8
69.07047	8.3
69.78242	7.5
69.78674	8.8
70.06573	2.6
71.04972	6.4
71.98135	2.2
73.04755	3.1
79.05479	24.7
80.35491	1.8
81.03404	7.9
81.07044	49.1
83.04991	10.0
83.08601	5.5
84.08155	2.7
85.02888	7.5
85.06544	4.2
86.09717	3.2
91.05457	20.5
91.05853	7.6
91.96557	1.9
93.07045	24.1
95.04958	39.7
95.08591	26.2
97.02856	7.3
97.06522	6.9
99.04433	6.0
101.07130	5.3
105.07008	33.6
107.04950	5.4
107.08574	30.4
109.02846	5.2
109.06496	37.0
109.10136	22.0
111.04416	7.5
111.08082	2.4
115.05438	6.7
117.07005	14.2
119.08566	19.5
121.02740	2.5
121.06493	16.6
121.10116	18.8
123.04387	20.8
123.08042	15.0
123.10863	2.0
123.11670	8.7
125.05978	3.8
125.09583	4.3
127.03897	5.8
128.06210	3.6
129.06961	12.3
131.08540	34.2
133.06480	3.6
133.10117	32.1
135.08031	38.3
135.11668	7.9
137.05939	7.4
137.09593	9.0
139.07599	3.3
141.06889	2.6
142.06621	2.0
142.07741	8.5
143.08531	28.4
145.06438	4.9
145.10112	34.0
147.08040	4.0
147.11646	12.3
149.09621	11.9
149.13235	4.2
151.07533	36.4
151.11113	4.5
153.01808	9.8
153.65576	2.5
155.08501	7.1
156.09296	5.3
157.10109	62.9
159.08043	10.1
159.11638	21.7
161.09625	8.1
161.13254	4.8
163.03893	3.5
163.07513	50.7
163.11143	6.9
165.09125	11.8
167.05531	9.1
167.07011	4.8
167.08479	3.3
169.10120	11.9
169.11382	2.4
170.10846	2.3
171.11668	37.0
173.09598	3.4
173.13226	5.6
175.11169	8.1
177.09085	42.5
177.12672	2.9
179.03357	6.8
179.07024	2.7
179.10651	6.2
181.08597	5.5
181.10007	4.1
182.10812	2.7
183.11662	8.3
185.09593	3.2
185.13158	12.5
187.11212	3.7
187.14807	4.5
191.03444	4.2
191.07091	3.3
191.10646	21.0
195.10117	4.1
195.11671	5.2
196.12404	4.8
197.13225	8.0
199.14699	4.8
205.01392	3.0
205.12225	17.3
207.02809	6.0
207.11601	2.7
209.13226	4.4
211.14806	28.9
213.16359	95.0
214.16862	4.3
215.14412	2.6
219.02832	13.9
221.13182	3.2
223.14735	2.5
225.04285	2.5
225.16368	4.3
227.17917	5.9
229.15848	22.2
231.17424	27.3
235.14832	5.2
237.16293	6.3
247.02406	10.3
249.16374	4.3
251.17929	7.5
253.19469	9.9
255.11325	2.7
255.17281	2.3
267.17429	5.8
269.18964	7.6
271.20499	17.1
279.20953	2.9
285.18488	6.4
286.34732	2.3
287.05457	4.2
287.20169	2.8
295.05948	2.3
297.03958	3.1
298.63434	2.1
311.08896	3.4
313.07104	3.6
315.23141	4.9
323.20065	3.2
339.08530	5.5
339.23206	3.1
341.06567	8.9
342.99475	3.7
359.02756	9.5
367.08078	9.0
369.05997	5.7
373.25378	3.2
381.27933	2.9
385.09167	8.6
391.26208	18.9
395.07605	3.0
397.27344	3.5
409.27341	100.0
410.27634	4.8
413.08603	40.8
414.08911	6.2
427.23108	4.1
427.28424	57.0
427.33328	2.5
428.28815	2.7
445.16275	2.9
445.29166	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	445.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64006	0.4
55.05496	1.9
57.07036	1.3
58.45013	0.3
69.07056	4.2
71.08598	0.7
71.70343	0.7
81.07015	1.4
83.08601	1.8
91.05450	0.4
91.48486	0.3
93.07024	0.4
95.08565	1.0
97.10124	1.3
105.06924	0.4
107.08544	0.6
109.10150	0.9
111.11665	0.4
123.11673	0.5
135.08063	0.4
137.09576	1.4
149.09561	1.4
155.57857	0.4
156.06729	0.4
163.11101	0.9
165.09093	15.5
169.07530	0.4
175.11168	0.6
177.09006	1.0
191.10576	0.6
193.80893	0.3
194.43021	0.4
203.10573	0.9
205.12193	2.2
231.13765	0.6
242.08270	0.4
271.31558	0.3
287.46075	0.4
344.11719	0.5
345.27737	0.5
358.11923	0.5
360.14935	0.6
370.13443	0.5
371.12683	1.2
372.13779	1.9
373.14450	2.5
374.15994	0.8
375.15936	0.5
385.14581	1.2
386.15189	2.4
387.15997	5.6
388.16684	2.1
389.17337	1.5
399.16168	0.5
400.12393	0.7
400.16675	1.5
401.13553	2.3
401.18201	4.9
402.18433	3.8
403.19318	2.2
414.13910	1.8
415.15121	9.3
416.15259	3.0
416.20267	1.1
417.16489	1.8
417.20584	2.8
418.21115	1.1
427.35571	1.9
428.15729	0.8
429.16824	7.2
429.21902	0.5
430.17453	11.6
431.18076	3.9
444.18799	1.1
445.19925	100.0
446.20578	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	9.7
55.05503	57.6
57.07066	58.6
61.72416	4.0
65.93495	4.1
67.05486	22.9
68.30092	4.2
69.07056	84.2
70.27300	20.9
71.08614	32.9
79.05465	19.0
81.07038	67.4
83.04963	8.0
83.08601	65.3
85.10163	21.3
91.05450	13.7
93.07039	36.8
95.04934	6.7
95.08591	52.6
97.06500	8.5
97.10141	39.5
98.21415	5.1
99.72638	3.9
105.07009	14.2
107.08554	35.5
109.06524	7.9
109.10108	25.4
111.08048	10.1
111.11713	22.2
117.06995	6.9
119.08534	15.1
121.06490	6.6
121.10111	22.0
123.08064	6.6
123.11678	18.0
124.05218	7.7
125.13224	5.8
131.08528	12.0
133.10068	8.9
135.08031	7.9
135.11650	13.2
137.05940	11.6
137.09589	7.6
137.13235	5.1
139.07520	100.0
143.08513	5.3
145.10052	7.1
149.09592	15.2
149.13237	12.5
151.07532	12.1
151.14780	4.6
156.09312	5.1
157.10057	7.3
159.08014	5.0
159.11726	5.5
161.09560	8.6
163.07474	12.4
163.11127	9.2
163.14769	16.6
165.05382	9.5
165.09067	62.6
166.09239	4.3
171.11691	8.5
175.07539	7.6
175.11206	13.2
177.09119	13.1
185.13200	6.6
189.09093	9.6
189.12787	6.5
191.10660	6.4
193.08586	12.1
203.10622	17.1
203.14270	5.6
205.12225	11.5
217.12192	11.2
219.13811	6.9
221.11693	6.6
231.13766	6.9
289.28851	18.0
307.30078	20.3
381.35004	6.3
399.36011	12.5
409.34546	5.6
417.37488	6.9
427.35660	15.6
445.36719	52.5
446.37033	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95864	13.5
55.05500	31.7
55.16665	18.1
57.07053	67.9
69.07053	45.4
71.08597	53.9
71.66899	21.8
74.62731	15.4
81.07055	22.3
83.08608	43.2
85.10182	17.5
95.08601	19.8
97.10112	20.2
109.06491	42.6
111.08057	15.0
123.08020	17.0
137.05945	100.0
139.07545	27.6
151.07564	25.7
161.09567	15.7
165.09084	24.6
193.12259	34.7
207.13708	17.7
253.03012	14.4
301.89069	15.7
325.31320	17.1
385.34540	23.8
399.36203	20.3
403.35675	19.3
417.37094	36.0
427.35724	20.2
461.69946	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48370	0.5
55.05498	2.7
57.07041	1.5
58.29155	0.5
63.48085	0.5
67.05481	1.9
69.07053	4.7
71.70368	0.6
79.05431	0.8
81.07048	2.9
83.08625	2.6
83.64086	0.5
93.07024	0.9
95.08579	1.5
97.10136	1.8
107.08549	0.9
109.10132	2.5
111.11680	0.6
115.05437	0.5
119.08517	1.3
121.10114	0.6
135.07970	0.8
136.08908	0.6
137.09584	3.5
140.82198	0.5
149.09583	2.8
161.09706	0.5
163.11131	2.7
164.08258	1.1
165.09102	34.1
175.11057	1.1
177.09026	1.6
191.10571	1.8
191.74541	0.6
199.11092	1.2
201.12695	0.7
203.10555	1.4
205.12170	2.2
211.59047	0.5
231.13771	0.9
240.66368	0.6
357.11603	0.6
359.13031	0.9
360.14716	1.1
371.12903	1.5
372.13501	3.0
373.14459	3.1
374.15643	0.7
385.14352	2.3
386.15234	2.7
387.15964	6.8
388.16330	2.4
389.17554	1.4
400.16855	1.4
401.13477	2.2
401.18091	4.4
402.18073	2.4
403.19348	2.8
414.14499	1.5
415.15137	10.0
416.14996	2.8
416.19815	2.0
417.16360	1.8
417.21497	3.4
418.21313	1.3
427.35431	1.0
428.16064	0.6
429.16882	8.2
430.17508	14.3
431.18173	4.2
444.18726	1.1
445.19928	100.0
445.36523	2.2
446.20532	34.2
446.37161	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	446.1803
Annotation	Tetrahydrofolate
Peak:m/z	Relative Intensity
55.01871	0.9
59.76346	0.7
60.49967	0.7
67.05483	1.8
69.03410	4.9
69.39768	7.9
70.06571	3.4
74.03875	0.7
75.92928	0.6
79.05461	3.2
80.04996	6.5
81.03386	2.0
81.07030	2.6
82.06582	1.2
82.07390	0.8
84.04459	0.8
86.06059	7.7
87.04454	8.0
87.05602	0.8
91.05430	4.5
93.07014	1.5
95.04958	1.3
97.02845	0.8
98.06037	7.0
105.06988	4.2
107.08582	1.0
108.04453	11.8
108.08085	3.0
109.02835	2.1
109.06471	3.0
112.07596	0.8
117.07030	4.0
117.07670	0.8
118.06478	0.9
119.08552	1.4
120.08082	4.0
121.06421	0.8
122.05986	0.9
122.09631	1.0
124.07578	5.0
128.06190	1.0
129.06973	3.3
130.06490	0.8
131.08531	3.4
133.10114	2.0
136.07518	2.6
137.02362	1.0
137.09567	1.2
138.05447	7.0
141.06970	2.3
142.07742	0.9
143.08536	4.8
145.06438	0.7
145.10069	2.6
148.07539	20.3
149.08266	2.7
150.05484	2.0
150.09097	8.8
152.07019	9.8
154.07692	1.5
155.08511	2.1
157.10129	5.7
159.08018	2.1
159.11667	1.6
161.09544	1.8
164.07025	5.3
165.06952	1.7
165.09021	0.8
166.08563	1.1
167.08521	8.9
169.10158	4.8
170.07259	0.7
171.08009	0.9
176.07036	18.6
176.10640	1.9
177.07607	0.8
178.08647	3.7
179.08554	1.8
180.09389	0.8
181.10072	3.4
183.11668	1.9
185.09579	8.6
187.11102	1.0
193.10069	1.0
194.08099	19.6
195.08145	0.9
195.11592	4.3
197.09512	1.0
197.13217	1.6
203.10585	1.0
204.06549	1.0
205.10287	3.4
207.11682	3.5
211.11172	0.9
223.11127	13.2
225.12726	4.2
227.10608	1.6
231.10152	1.5
233.09610	1.1
241.12083	0.8
243.21844	0.7
249.11179	3.0
251.10611	2.6
253.12057	1.0
256.03458	0.9
269.11673	9.6
271.13144	1.3
274.15640	0.8
287.05453	3.3
287.12570	3.6
308.16336	1.9
315.12195	47.6
316.12430	2.4
318.14868	1.6
320.16507	1.3
336.15811	2.4
354.16907	15.4
355.17197	0.9
364.15442	3.1
367.41440	0.9
372.17798	3.6
382.16403	35.6
383.16873	1.5
400.17484	38.9
401.17856	2.0
418.18399	3.5
428.16965	65.0
429.17197	6.4
435.05276	0.9
446.17950	100.0
447.12891	1.1
447.18353	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	446.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	2.4
66.07037	0.7
67.05471	3.1
69.07034	2.2
69.63123	6.7
81.07019	2.8
83.08569	1.5
91.05484	1.0
93.07020	2.0
95.08590	1.3
105.07021	0.8
109.10148	4.5
119.08539	3.5
119.83643	1.0
121.06494	11.9
122.07224	0.9
123.07982	1.0
136.08810	12.0
137.09593	11.9
149.09573	2.1
159.82581	0.9
163.11159	1.3
164.08299	24.7
165.09090	100.0
165.53175	0.8
166.09415	8.4
177.09090	1.5
189.09062	1.6
203.10616	1.5
205.12265	6.5
294.54001	1.0
372.13364	0.9
373.14401	2.9
374.15173	1.4
375.16034	2.0
386.15009	1.1
387.15897	4.0
388.16476	6.9
389.17453	6.3
401.17731	1.9
402.17972	2.6
403.19165	9.0
404.19754	4.6
415.14963	1.4
416.15533	6.4
416.77545	0.9
417.16147	6.5
417.21161	2.4
418.16785	1.3
418.21274	2.7
419.22208	11.0
428.36411	9.0
430.17233	3.0
431.18069	14.5
432.18991	3.2
445.19839	2.0
446.20566	66.9
446.37454	30.0
447.21469	29.3
447.37567	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	447.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90041	0.5
51.02379	1.0
52.90398	0.5
53.03935	1.2
55.01855	2.0
65.03941	1.0
67.05477	1.0
67.55598	0.5
70.06581	1.3
71.69186	1.0
72.08133	1.0
73.04744	1.3
77.03924	0.8
83.04968	1.4
84.08111	1.0
85.02901	0.8
91.05791	6.0
91.76165	0.5
93.05479	0.8
95.04982	2.9
105.03381	2.1
107.04926	0.7
109.02885	0.7
111.04448	1.3
114.49391	0.7
119.04980	0.7
121.02860	1.6
123.04417	100.0
124.04760	1.4
129.05487	0.9
135.04425	1.7
137.02335	1.1
139.03885	1.6
147.04393	3.6
149.02328	2.8
151.03972	1.3
155.03235	0.7
157.04935	0.6
159.04437	0.6
161.05972	0.6
163.03871	4.1
165.01750	0.7
167.05533	1.7
169.05190	1.0
173.05972	0.7
175.03801	0.8
177.01814	15.2
177.05420	0.6
183.02899	0.9
187.03909	1.5
189.01729	0.8
189.05478	2.0
191.03430	1.2
197.06039	0.7
203.03448	1.5
205.01421	0.7
205.04955	1.2
209.06041	0.6
213.05437	0.9
215.03467	0.8
217.05057	0.9
217.43390	0.6
219.02881	4.1
223.02373	2.5
229.05022	0.6
233.04514	0.9
237.05705	0.8
253.05081	0.9
255.06610	1.0
261.03931	2.2
265.04825	1.2
267.06558	0.6
271.05917	1.4
279.04944	1.4
283.05978	1.6
285.07455	1.1
293.04306	0.8
297.06146	0.7
299.05457	3.1
311.05457	2.0
317.06494	4.7
327.05054	1.2
329.06589	0.7
337.06711	0.8
339.04980	3.6
339.08673	1.1
341.06665	2.3
355.04218	0.8
355.08133	1.7
359.02820	0.8
359.07654	0.7
361.02588	3.0
365.06445	0.9
367.08145	0.9
369.06049	1.5
383.07590	2.4
393.06210	0.8
399.07031	1.0
401.08594	8.6
411.07120	4.1
429.08145	8.1
429.20123	1.8
447.09183	14.8
447.14236	0.6
447.20956	0.9
448.09586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71707	0.9
53.03934	1.6
55.01862	1.6
55.05508	5.1
57.03416	2.1
57.07078	1.2
59.06114	1.0
67.05494	8.1
69.03427	4.6
69.07067	5.1
71.04964	2.9
71.67728	0.9
71.68152	1.4
79.05482	8.9
80.04998	1.5
81.03397	1.7
81.05786	2.8
81.07050	9.8
83.04966	8.3
83.08578	1.0
85.02898	3.0
85.06521	1.6
91.05431	6.4
93.07031	8.6
95.01286	1.1
95.04950	17.4
95.08584	8.7
96.08121	12.8
97.02856	1.1
97.06509	2.1
99.04438	2.1
103.05462	2.9
103.61000	0.9
105.05736	1.0
105.07011	7.6
106.06536	3.8
107.04943	2.0
107.08582	6.1
109.02843	1.3
109.06510	7.1
109.10136	7.4
111.04417	8.9
111.08051	0.9
113.05984	1.6
117.05744	2.0
117.07024	1.7
118.06528	11.4
119.07323	16.6
119.08582	4.6
120.08091	34.5
121.06546	2.0
121.08878	1.5
121.10112	7.5
122.37132	0.9
123.08038	2.1
123.11699	2.9
124.07576	49.1
125.05955	1.6
125.07919	1.0
125.09552	1.2
127.03857	1.7
128.06181	1.1
129.05472	1.9
129.06995	1.6
130.06519	1.8
131.07367	1.2
131.08543	4.1
132.08063	3.0
133.05211	3.8
133.10107	5.6
134.05966	2.2
135.08032	1.6
135.11656	2.6
137.05945	2.2
137.09586	1.7
137.13246	1.0
139.03879	2.6
139.07433	1.6
141.05475	1.3
141.06956	1.2
142.07762	1.9
143.08540	2.7
144.08047	1.4
145.10081	5.3
146.05974	13.3
147.06775	29.0
147.07947	1.7
147.11681	5.7
148.07552	44.5
149.02307	2.7
149.08432	4.8
149.09465	1.5
149.13277	1.9
151.07545	9.8
151.11140	1.0
153.05441	3.8
153.12671	0.9
157.04889	1.1
157.10109	9.1
158.06009	1.7
159.11668	6.6
160.07564	5.1
161.09656	1.1
161.13243	1.5
162.05498	4.8
162.09096	1.1
163.11133	0.9
165.09160	2.7
171.11655	3.2
173.13242	2.0
175.11169	3.3
176.07028	16.0
177.07762	2.1
183.11693	1.8
185.13206	2.2
186.05486	2.9
186.09096	1.1
188.07056	3.0
191.10645	2.8
193.08585	1.5
197.13254	2.7
201.10252	2.5
202.08583	1.3
204.06580	3.2
205.07292	2.0
211.14795	2.3
213.10251	1.6
216.06606	1.7
225.16298	1.1
228.09026	1.6
228.12650	1.2
229.13350	6.7
232.06046	8.4
234.07578	2.2
241.09637	1.0
242.10449	3.1
243.11331	4.8
243.14987	2.3
244.15619	2.3
253.19481	15.6
255.11247	2.3
256.12143	3.5
257.12817	100.0
258.13138	3.0
262.07193	2.1
271.14371	30.8
271.20538	25.8
272.15158	38.3
273.15759	2.3
276.11771	1.0
277.86166	1.1
294.09686	9.1
296.11234	3.8
306.09802	4.7
322.09189	25.0
323.09741	1.1
324.10730	21.9
325.11105	1.2
327.23288	1.5
335.37302	0.9
401.30670	1.3
411.28754	3.2
429.16391	2.1
429.29855	4.1
447.17599	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
64.65858	1.1
66.51363	1.3
67.05497	5.2
68.99774	0.9
69.03416	3.1
69.07056	4.7
70.06580	10.3
70.73874	3.2
70.74230	2.0
71.04995	1.3
73.02909	14.0
79.05494	3.0
81.03405	2.7
81.07043	5.1
81.54420	1.1
83.08640	1.0
85.02895	3.7
85.07661	3.9
85.83154	1.0
86.09691	43.8
87.05579	69.2
87.09216	36.8
88.07631	1.1
91.05472	4.9
93.07022	4.3
93.56217	1.1
95.01307	13.0
95.04931	2.3
95.08597	3.6
97.02892	3.0
97.06506	2.2
105.07018	5.1
107.04948	1.8
107.08574	4.5
109.02890	1.7
109.06499	3.3
109.10136	5.1
111.00787	1.8
111.04422	1.5
117.07019	2.0
119.08569	3.5
121.02826	1.7
121.06499	2.0
121.10142	3.1
123.04418	1.7
123.08172	1.0
123.11697	1.5
127.03886	2.0
129.06996	2.6
130.06509	16.7
131.08575	7.9
132.04453	5.9
133.10106	3.9
135.11655	2.0
137.02383	5.5
137.03334	1.2
137.05965	1.1
137.09608	2.2
142.06480	1.9
143.08514	1.5
145.10121	2.6
147.11649	5.7
149.02322	2.0
151.03880	1.3
151.11092	1.4
153.01784	6.7
153.90210	1.1
155.08542	1.1
157.07600	20.5
157.10121	4.4
158.05992	8.4
159.08047	23.7
159.09198	4.4
159.11699	3.0
161.09543	1.2
163.03906	2.1
165.01842	3.3
165.09097	2.2
165.12791	1.7
169.06393	1.4
171.78703	1.2
173.02304	1.3
173.09604	2.6
175.08662	10.5
175.11133	2.3
177.09091	2.9
177.12730	1.3
179.03432	4.3
181.15770	1.4
183.02835	1.4
183.07977	1.4
183.11656	1.3
185.07051	7.6
191.03218	1.6
193.08467	1.2
201.05431	2.9
205.08659	1.4
207.02846	2.7
219.02898	1.3
221.04599	1.5
229.04865	5.0
229.14293	5.8
232.67197	1.0
242.29980	1.1
243.14957	1.3
247.05928	1.2
253.19504	4.8
257.04477	2.4
269.11813	1.8
271.06030	1.3
271.20633	8.0
285.03864	1.5
288.17023	4.8
297.11191	1.8
298.15671	1.2
299.13800	5.9
303.04950	100.0
304.05365	6.8
315.08618	2.2
315.12180	17.3
316.12823	1.4
316.16455	25.4
327.05026	4.3
333.13281	35.9
334.13684	1.5
334.17606	3.6
343.11642	6.3
345.05817	1.8
369.09595	2.1
411.28995	2.3
415.10110	3.7
429.11792	2.6
429.24805	2.4
429.30069	3.3
447.12796	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	447.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05455	0.5
53.03936	1.7
55.01865	0.7
55.05500	2.7
57.03423	1.7
58.31761	0.5
60.47756	0.5
61.02904	0.5
65.03925	0.9
67.05491	35.9
69.03423	2.6
69.07068	1.0
69.52340	3.3
69.52755	1.0
70.06582	1.1
71.04992	3.6
79.05478	4.2
81.03418	1.1
81.07042	22.4
83.04953	0.6
84.08140	0.6
85.02882	1.4
85.07652	3.5
86.09688	0.6
91.05439	2.6
93.07044	5.1
93.26819	0.5
95.04949	4.8
95.08585	9.9
97.02869	1.6
97.06503	0.7
98.21520	0.8
99.04399	0.6
99.08085	0.7
105.07003	0.7
107.08563	3.7
109.02881	0.6
109.06506	3.7
109.10136	71.7
110.10477	1.4
111.04414	0.7
115.03895	0.7
119.08563	4.0
120.08046	0.6
121.06454	0.5
121.10107	0.9
125.05950	0.8
127.07510	2.1
133.04947	1.4
133.10074	0.9
137.09587	100.0
138.09967	2.4
147.08006	1.1
147.11662	0.6
149.02394	0.5
155.10660	6.0
157.10172	0.6
159.11671	0.6
165.09085	85.3
166.09389	1.9
172.11819	0.5
183.06529	4.0
183.10088	2.8
201.05302	0.6
201.11165	3.0
208.10205	0.6
251.12686	1.9
269.13763	4.7
279.12228	14.6
297.13287	19.5
303.04752	0.5
340.09723	0.7
355.11517	1.1
411.27814	1.4
429.17413	3.5
434.17624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2118
Annotation	Olmesartan
Peak:m/z	Relative Intensity
53.03943	0.7
55.01861	0.4
55.05499	0.9
56.08843	0.4
59.06104	0.5
60.04499	0.5
65.03937	0.8
67.05494	1.9
69.03404	1.4
70.06583	7.1
70.08576	2.1
72.08138	3.2
75.24245	0.4
79.05495	0.5
81.03404	0.8
83.04969	3.2
84.04502	1.0
84.08120	0.5
85.02883	1.0
85.16006	0.4
86.09694	1.5
87.05579	2.1
91.05410	0.5
91.05847	0.7
93.03407	1.0
93.07019	0.5
94.06572	0.5
95.04935	2.1
96.04502	0.5
98.06007	0.4
99.00771	0.6
105.06986	0.6
106.06535	0.8
108.04436	0.8
109.02863	0.4
111.04436	3.4
117.05764	0.5
117.06928	0.6
118.06480	0.5
119.04898	0.5
120.08080	1.2
121.02820	1.4
122.06024	0.9
122.80848	0.4
123.04391	3.1
124.03870	0.4
124.07507	0.4
126.05535	0.5
129.05492	1.0
129.06946	0.5
129.10281	0.4
131.04932	0.5
132.08049	0.6
133.08821	0.6
133.10132	0.5
134.08401	0.4
134.09656	0.6
135.05452	0.6
135.09154	1.5
136.07585	3.0
139.03867	2.0
143.08553	0.5
145.07625	2.1
145.08589	0.4
146.05931	0.7
147.04456	0.6
147.09103	0.6
148.07541	1.6
149.02254	1.0
149.05969	0.6
149.10699	2.7
150.05460	0.9
150.09070	0.5
150.11487	0.7
151.08684	1.9
151.12265	0.4
152.06960	0.4
152.09377	0.7
153.10147	0.5
157.04956	1.1
157.10141	1.4
159.07993	0.7
159.09178	0.5
159.11620	0.4
160.07541	1.0
160.09924	3.1
162.05496	0.7
162.09125	1.2
163.03902	1.1
163.08658	0.8
164.07027	1.0
164.09460	0.9
165.10208	1.7
167.05460	0.7
167.08534	1.1
169.10068	0.8
173.12868	0.4
174.05472	0.5
175.06113	0.4
176.06996	0.6
177.10226	10.4
178.10997	21.6
179.11787	5.8
180.06519	0.7
181.06798	0.5
185.09578	1.7
190.12282	0.4
192.06551	0.6
193.09784	0.8
200.33443	0.4
201.12337	0.5
231.10124	1.3
235.09172	0.5
249.11189	0.9
252.13490	0.4
256.08014	0.4
302.15335	0.7
339.20462	0.5
356.14673	0.5
360.14325	1.4
361.02551	1.0
365.18607	0.9
366.16843	2.7
376.72507	0.6
383.19589	2.0
384.17972	1.3
385.21365	1.1
389.60880	0.5
401.11292	0.5
401.20538	2.8
411.19104	6.2
412.17462	3.3
426.30710	0.5
429.20169	100.0
430.20477	3.7
447.11978	0.6
447.21298	13.2
448.15186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.9
55.01863	9.4
55.05505	31.1
57.03423	18.9
57.07058	7.1
61.02906	4.8
63.28877	4.6
65.03938	6.7
67.05501	100.0
69.03401	7.3
69.07056	27.6
71.70424	7.2
72.08121	5.5
79.05480	76.6
81.03403	37.2
81.07049	80.9
83.04968	6.9
83.08599	19.2
91.05444	55.8
93.07036	78.4
95.04954	26.5
95.08610	59.7
97.06507	15.4
97.10133	16.4
101.06423	4.7
105.07024	47.5
107.04948	13.6
107.08591	46.6
107.36104	4.5
109.06499	6.6
109.10130	24.7
111.08052	7.0
112.99991	65.0
117.07008	26.5
119.08566	51.4
121.06492	8.3
121.10130	27.6
123.08053	6.3
123.11709	8.5
125.09613	15.7
125.51674	4.8
129.06981	12.4
131.08542	35.4
133.06509	5.6
133.10098	21.8
135.08109	6.2
135.11679	35.9
137.09622	4.5
143.08539	12.5
145.06459	6.1
145.10063	24.9
147.11639	13.3
149.02325	11.5
149.09613	7.9
149.13271	7.4
155.08574	6.5
157.10094	14.7
159.11711	13.3
161.13168	9.7
163.11201	8.3
165.12732	5.1
167.08487	5.8
169.02602	29.7
171.11690	10.0
173.13179	5.8
175.11130	14.3
175.14839	7.8
177.12698	4.9
181.12164	4.8
181.25728	4.8
183.11743	7.0
185.13257	6.7
187.03670	7.6
187.14806	6.9
189.15663	5.0
192.80597	5.4
193.12183	10.0
197.13213	6.1
199.14673	4.5
203.14325	7.9
239.17970	7.8
243.21164	18.3
261.22195	18.7
267.17346	5.3
285.18481	19.3
317.24582	8.6
329.21011	8.3
335.25766	78.7
337.21408	7.0
355.22604	15.5
429.25977	8.6
447.27225	30.4
447.31470	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	447.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	3.4
51.44507	3.2
53.03933	9.9
54.11153	3.3
55.01848	11.3
55.05502	38.0
57.03429	15.0
57.04568	3.2
61.05314	2.7
65.03923	7.9
67.05135	5.8
67.05490	88.6
69.03397	6.7
69.07043	22.1
71.01337	6.5
71.04982	10.5
71.69597	5.1
79.05475	80.0
81.03402	88.0
81.07042	75.6
83.04958	17.9
83.08603	29.6
85.02883	7.7
85.06507	5.0
86.50546	3.7
87.62292	2.9
91.05453	67.1
93.07027	79.4
95.04955	50.5
95.08591	35.4
97.02890	5.2
97.06506	19.0
97.10154	20.7
99.04488	4.2
103.05516	4.0
105.07010	56.1
107.04917	19.0
107.08566	39.6
109.06493	14.6
109.10125	12.9
111.08074	9.7
115.05435	5.1
117.06999	18.0
119.08544	40.3
121.06495	11.8
121.10109	19.2
123.08052	6.9
125.09603	8.9
128.06189	4.4
129.06949	17.4
131.04951	3.5
131.08546	23.7
133.06436	6.6
133.10110	26.1
135.08035	11.8
135.11656	38.2
137.09589	5.8
141.06956	3.7
141.92976	3.2
142.07768	5.2
143.08542	14.5
145.06459	10.4
145.10071	22.3
147.08022	5.9
147.11644	11.6
149.02339	5.7
149.09601	10.4
149.13203	7.6
149.58334	3.3
155.08612	4.1
157.10104	18.4
159.11697	13.7
161.09505	3.1
161.13184	4.3
163.11171	10.2
169.10092	6.5
171.11659	4.0
175.11200	13.1
181.12206	7.3
183.11646	7.4
185.13268	7.4
187.11232	7.6
189.11230	6.9
193.12177	33.0
195.11612	4.3
197.13202	5.0
203.10660	3.3
203.14253	6.4
211.11131	3.0
211.13211	5.5
213.12779	4.3
225.12659	3.9
257.15234	3.2
285.16928	4.0
329.21014	8.4
337.21445	10.7
355.22607	20.3
355.26337	5.5
373.23660	7.5
403.24603	9.1
429.26227	11.4
447.26849	100.0
448.27802	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	447.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.5
53.03921	8.9
55.01859	7.7
55.05504	36.3
57.03430	15.4
57.07056	3.6
61.02916	3.6
65.03925	4.5
67.05495	100.0
69.03425	5.8
69.07059	28.5
71.01340	4.4
71.04975	7.6
71.69449	4.1
79.05479	76.6
81.03407	63.8
81.07042	91.4
83.04961	12.7
83.08611	27.3
85.02876	2.4
85.06529	4.2
91.05463	72.4
92.49776	2.4
93.07030	79.6
95.04393	3.8
95.04951	45.4
95.08582	42.9
97.02871	3.9
97.06519	12.7
97.10139	13.3
98.21129	2.2
99.08076	3.9
103.05441	2.2
105.04506	3.5
105.07014	46.2
107.04958	13.8
107.08576	42.3
107.09252	4.0
109.06490	9.6
109.10172	13.8
111.04446	3.4
111.08055	11.8
113.00008	6.0
115.05442	3.7
117.07011	19.5
119.04907	2.1
119.08566	34.4
121.06494	15.4
121.10126	23.3
123.08046	5.8
125.09615	9.9
128.06192	2.5
129.06992	18.7
130.07716	2.2
131.04869	3.6
131.08543	26.4
133.06470	6.5
133.10117	24.8
135.08014	4.8
135.11674	36.0
137.09538	2.3
141.06976	5.1
142.07747	4.6
143.08540	12.8
145.06461	9.4
145.10118	21.9
147.08038	4.9
147.11600	9.8
149.02310	4.4
149.09587	6.3
149.13266	11.3
151.11095	2.4
153.09048	2.2
155.08490	5.8
157.06535	2.9
157.10106	14.9
159.08066	4.8
159.11682	12.6
161.09679	3.5
161.13226	5.8
163.11122	13.4
165.12701	3.1
169.10098	8.6
169.34000	2.2
171.11674	7.5
173.13197	4.0
175.11156	6.8
177.12749	4.0
181.12161	2.7
183.11667	4.2
185.09563	3.2
185.13200	10.8
187.11176	4.0
189.11246	6.6
192.46805	2.0
193.12218	25.8
195.13672	2.4
199.14867	3.7
201.12729	3.0
203.14265	5.5
205.12283	2.7
211.13087	3.0
213.12837	2.6
223.13118	2.3
225.12738	3.2
227.12695	3.2
231.13904	3.8
243.13812	2.4
249.14842	7.2
266.43781	2.2
275.20151	2.2
311.19885	3.6
311.86539	2.0
327.22980	3.8
329.21054	8.6
335.22043	2.8
335.25671	7.7
337.21436	10.0
337.25162	4.6
355.22559	21.8
355.26379	4.8
373.23660	8.1
403.24643	7.3
429.25671	14.9
447.26434	70.4
447.32181	11.9
448.27347	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	447.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.7
55.01854	6.3
55.05502	31.3
57.03424	11.8
57.07071	3.3
64.69036	1.9
65.03918	3.8
67.05142	3.4
67.05494	66.7
69.03405	5.9
69.07057	22.8
69.53438	8.5
69.53869	10.1
71.04961	6.6
79.05477	60.9
80.05802	1.9
81.02948	4.0
81.03407	66.6
81.03878	4.3
81.07046	50.7
83.04962	15.7
83.08608	28.4
83.90498	2.0
84.08147	1.9
85.02866	2.9
85.06525	6.1
91.05453	52.7
93.07032	54.0
95.04954	47.3
95.08590	24.2
97.02892	3.7
97.06522	12.1
97.10148	15.4
98.21174	7.6
99.08058	2.1
103.05473	2.6
105.07008	35.1
107.04941	28.0
107.08577	32.3
108.86897	2.5
109.06504	10.4
109.10139	16.1
111.04433	4.3
111.08059	9.5
115.05442	2.2
117.07001	17.0
119.04887	4.4
119.08548	28.2
121.06471	15.1
121.10110	16.9
123.04405	2.4
123.08027	4.9
125.09631	10.1
126.09986	2.2
128.06190	3.7
129.06972	21.0
131.04872	2.4
131.08548	23.9
133.06456	8.7
133.10095	11.8
135.08044	4.1
135.11668	36.1
137.05997	4.3
137.09622	4.1
141.06949	4.1
142.07747	4.5
143.08521	9.2
145.06439	14.1
145.10089	20.2
147.08026	5.9
147.11662	11.2
149.02303	7.6
149.05896	2.8
149.09586	7.3
151.07445	4.2
153.05396	3.0
153.12640	3.4
155.08467	4.9
157.10078	15.4
159.08069	4.1
159.11678	9.6
161.09628	3.4
163.11095	12.4
165.09097	4.3
165.12703	2.1
167.06982	2.8
167.08418	2.6
169.10085	2.7
171.08040	3.7
171.11665	4.7
173.09592	2.9
173.13216	3.8
175.11108	9.9
175.14896	2.2
177.12775	3.2
181.10213	2.5
181.12158	6.4
183.11679	7.2
185.13203	6.6
187.11168	4.3
189.09052	3.4
189.11143	5.2
193.12215	28.9
197.09581	2.7
197.13293	2.9
203.14270	7.1
205.12192	4.5
211.13217	3.9
213.12663	2.3
227.12611	2.9
231.13821	3.3
243.13795	3.3
249.14879	3.7
257.11649	3.2
267.15948	2.3
273.21878	3.6
327.22845	2.5
329.21115	7.3
337.21576	9.8
355.22641	21.6
373.23663	9.3
403.24585	6.7
411.24457	2.5
429.26154	16.8
447.27289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44248	0.9
54.07397	1.0
55.05501	3.1
64.71481	1.1
67.05495	11.8
69.03436	2.1
69.07055	2.6
69.82354	4.6
69.82771	2.7
71.04987	1.2
79.05472	8.3
81.03403	1.9
81.07047	16.7
83.04971	2.2
83.08607	1.1
85.02907	1.8
85.06541	2.4
87.05564	1.3
91.05442	8.8
93.07027	13.9
95.04959	6.7
95.08602	12.9
97.06522	2.2
99.04395	1.2
105.07010	14.5
107.04946	3.6
107.08576	17.7
107.78725	1.1
109.02851	1.6
109.06507	4.3
109.10151	14.6
111.04435	1.6
113.05980	1.2
115.07535	1.5
117.06995	5.6
119.08558	11.0
121.06485	2.7
121.10128	21.5
123.08079	2.4
123.11716	1.9
125.09651	1.5
127.03850	1.5
129.06984	5.5
131.08553	12.1
133.10109	24.5
135.11691	5.8
136.58484	1.0
137.02304	1.4
137.09621	2.1
139.03877	1.2
141.07014	1.6
142.07761	4.8
143.08554	8.4
145.10095	13.2
147.08034	1.2
147.11668	22.7
149.02319	2.1
149.09613	2.0
149.13252	1.8
151.03900	2.9
151.07443	1.3
151.11172	4.2
153.01820	3.6
155.08557	4.4
156.09286	2.0
157.10106	42.5
159.08095	1.4
159.11687	25.4
161.09598	2.7
161.13271	1.7
163.11182	1.6
169.10124	5.1
171.11674	12.3
173.13275	5.6
175.11159	9.4
175.14824	1.2
177.12708	1.9
179.03375	1.9
182.10844	1.6
183.11665	7.1
185.13223	6.6
187.14867	1.8
195.02943	1.3
195.11656	1.2
197.13246	7.7
199.14796	1.6
207.02895	4.1
209.13239	1.8
211.14778	6.8
213.16422	2.4
223.14832	1.6
224.15598	2.6
225.16365	3.6
229.04843	1.5
237.16196	1.1
246.30492	1.1
251.18053	1.6
253.19498	60.7
254.19788	3.1
271.20526	100.0
272.20837	3.3
283.05838	1.2
303.04990	15.1
327.04996	4.4
341.24722	1.6
345.06143	1.7
353.24631	11.7
371.25760	7.0
393.27802	2.6
397.08856	1.5
399.29074	1.9
411.28879	29.7
412.29068	1.4
415.09842	2.9
429.29950	31.6
430.30301	2.3
447.12714	2.4
447.18338	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	447.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05502	4.2
57.03432	1.0
59.04996	1.8
60.69453	0.8
65.03950	1.4
67.05499	9.0
69.03399	3.8
69.07053	2.7
70.06566	1.2
71.04987	2.4
71.68250	1.0
72.09909	0.8
79.05476	7.2
81.03403	1.5
81.07037	10.8
83.04964	4.8
83.08616	1.4
85.02887	1.8
85.06522	2.1
87.04467	1.5
91.05415	5.8
92.05824	0.8
93.07034	12.0
95.04947	5.1
95.08595	11.0
95.91170	0.8
97.06507	1.1
100.07588	1.1
100.11259	4.2
103.08691	2.4
105.07017	10.1
105.24429	0.7
107.04929	1.2
107.08574	12.4
109.06500	33.6
109.10126	13.0
110.10459	1.0
111.04428	3.5
113.05970	1.1
117.06998	2.9
119.08558	8.6
121.06522	1.5
121.10118	18.3
121.10975	1.3
123.04498	1.0
123.08054	2.1
123.11702	2.2
128.06291	0.9
129.05470	3.7
129.06979	3.9
131.08540	9.7
133.10112	12.8
135.08109	1.0
135.11662	4.1
137.05914	0.9
137.09601	1.7
141.06961	1.5
141.09036	1.3
142.07755	3.8
143.08534	8.1
145.10095	11.1
147.08064	1.2
147.11652	18.6
147.12723	1.5
149.02310	2.0
149.09645	2.3
149.13231	1.0
151.07501	4.3
151.11159	2.7
155.08575	1.9
157.10100	35.6
157.11404	1.9
158.10469	1.1
159.11667	19.4
161.09637	1.2
161.13246	1.9
163.11176	2.2
165.07016	1.4
165.09027	2.1
169.10132	3.0
170.15422	0.9
171.11690	7.9
173.13202	5.7
175.11139	8.4
179.10635	0.9
182.15385	1.9
183.11649	4.8
185.13197	3.3
187.14824	1.9
191.10585	1.4
197.13232	7.0
198.14992	1.1
199.14864	1.7
200.12877	0.9
209.13315	1.3
209.16499	1.4
210.14888	2.8
211.14822	6.6
213.16377	2.3
223.14873	2.0
224.15585	2.6
225.16357	2.9
227.17723	1.2
238.17229	1.6
253.19475	54.1
254.19923	2.4
271.20514	100.0
272.20853	4.9
285.07526	4.8
327.23389	1.6
411.28867	7.0
429.29932	22.1
430.30228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
55.05502	4.9
57.03407	1.9
62.82333	1.5
67.05484	9.9
69.03420	5.1
69.07050	4.4
70.10355	8.7
71.04992	2.2
79.05496	8.0
81.03388	2.2
81.07052	13.3
83.04953	6.4
83.08605	2.0
85.02862	2.7
85.06549	1.7
86.09691	1.9
91.05439	9.1
93.07028	13.7
95.04985	2.3
95.08583	8.3
97.02881	3.9
97.06531	3.3
98.20782	2.8
99.04443	1.5
100.11246	2.7
105.07007	12.3
107.04906	1.9
107.08572	14.0
109.06498	31.1
109.10145	12.5
111.04444	3.3
117.06972	5.0
119.08545	8.5
119.15606	1.4
121.10137	19.1
123.08082	2.4
123.11672	2.8
127.03903	1.9
129.06978	3.6
131.08522	9.3
133.10104	17.0
135.11664	4.9
137.05942	2.7
142.07730	4.5
143.08560	6.1
145.10120	12.3
147.11668	18.9
149.02303	2.6
151.07571	2.2
151.11214	1.8
157.10109	35.9
159.11681	19.9
161.13281	2.8
163.11250	2.0
166.13148	1.5
169.10136	3.4
171.11662	10.2
173.13214	4.5
175.11188	10.2
179.10709	2.5
182.10756	2.0
183.11688	5.0
185.13239	3.3
189.12708	1.6
197.13206	9.2
199.14861	2.4
209.13184	2.1
211.14806	6.2
220.48239	1.7
225.16331	3.2
238.17168	1.7
247.51863	1.6
253.16852	3.6
253.19475	58.3
254.19893	2.1
256.84784	1.6
267.16089	1.5
271.20520	100.0
272.20844	4.6
285.07602	2.9
285.16849	2.4
371.25455	1.9
393.28125	2.2
411.28986	11.5
415.10153	5.6
429.24863	2.1
429.30023	27.0
447.18402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.24934	0.7
59.04976	1.2
59.40541	0.7
66.62279	0.6
67.05488	8.6
69.03403	1.9
69.07061	1.4
71.01322	1.0
79.05482	5.8
81.07041	10.1
83.04954	3.0
83.08600	1.2
91.05452	4.8
92.05762	0.6
92.47440	0.6
93.07020	8.6
95.04944	3.6
95.08582	7.8
97.06483	1.3
105.07006	9.9
107.08566	10.3
109.06498	32.1
109.10131	11.9
111.04395	2.3
111.08063	0.7
115.05434	0.7
117.06994	3.7
119.08555	6.6
121.10111	16.2
123.08035	1.5
123.11687	1.4
128.06165	1.1
129.05444	2.5
129.06963	2.6
130.19011	0.7
131.08536	9.6
133.10112	14.2
135.11679	4.0
141.06941	0.9
142.07736	5.0
143.08521	6.4
145.10103	11.0
147.10571	1.4
147.11653	16.2
149.09578	1.6
149.13231	1.2
151.11119	2.1
155.08528	2.2
157.10100	37.6
158.10538	1.1
159.11659	21.0
161.09554	0.8
161.13208	1.8
163.11116	0.9
165.09093	0.8
169.10106	2.0
171.11661	8.3
173.13214	3.6
175.11143	7.9
177.12740	1.0
183.11635	5.9
185.13196	4.2
195.11624	0.8
197.13205	6.2
198.13974	0.8
199.14737	1.2
209.13245	0.7
211.14764	6.5
212.15437	1.7
213.16342	1.5
223.14853	0.9
224.15552	2.6
225.16302	2.8
238.17073	1.7
242.16678	0.8
250.71947	0.9
253.19473	59.5
254.19824	3.1
271.20508	100.0
272.20782	4.2
306.22397	0.7
319.65268	0.8
327.23190	1.4
375.26804	1.0
393.27682	1.0
411.28809	7.8
415.10248	0.9
429.29962	20.7
430.30435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55829	1.7
53.03923	2.4
55.01865	1.8
55.05500	9.4
55.19622	1.7
57.07056	4.8
59.04973	2.1
59.70897	1.9
61.02913	1.8
67.05498	22.2
69.03407	6.2
69.07050	7.9
70.06567	2.2
71.04967	3.1
71.70106	3.6
77.87315	1.7
79.05482	13.0
81.03423	3.3
81.07035	29.6
83.04966	6.5
83.08594	4.8
84.81325	1.9
85.02872	6.2
85.06551	4.7
85.07703	2.3
86.09705	2.1
87.04460	2.0
91.05407	10.7
93.07021	19.5
95.04948	6.3
95.08600	24.9
96.56182	1.8
97.02871	2.7
97.06505	4.8
97.10152	2.6
100.11251	4.7
103.08698	4.2
105.07005	19.8
107.04948	2.6
107.08569	22.1
109.02868	2.6
109.06498	16.4
109.10135	21.9
111.04415	14.5
117.06974	6.6
119.08564	14.1
120.08102	2.0
121.06482	5.5
121.10120	22.0
123.04402	2.5
123.08058	5.8
123.11680	3.8
125.05972	5.9
125.09598	4.1
127.03873	5.1
127.07610	1.9
128.06177	2.0
129.05536	1.8
129.06992	6.1
131.08548	13.2
133.10097	20.6
135.08031	5.2
135.11676	11.4
137.05945	5.8
137.09579	3.8
139.07515	3.3
139.11145	3.0
141.06972	2.5
142.07787	6.2
143.08522	8.1
145.10092	18.7
147.11655	23.6
149.02272	3.9
149.09570	4.0
149.13255	5.0
151.07500	22.1
151.11143	2.4
152.07935	1.8
155.08504	3.2
157.10098	35.9
158.10588	2.3
159.11647	25.5
161.09554	3.0
161.13275	3.2
163.11122	8.4
165.09045	10.4
169.10088	1.8
171.11671	9.6
173.13202	6.5
175.11169	7.8
177.09123	6.7
177.12653	2.5
179.10614	2.8
179.79991	1.9
181.12209	42.2
181.13806	2.8
182.12587	2.4
183.11716	4.4
185.13295	5.8
187.14838	4.1
190.09959	2.4
191.10666	7.2
195.11612	2.1
197.13225	6.0
199.14851	2.9
200.12769	4.6
205.12221	6.1
210.14836	3.5
211.14778	7.7
213.16388	3.4
225.16370	4.3
238.17191	1.8
251.17944	2.1
252.14114	3.7
253.19453	61.3
254.19975	2.6
267.20868	2.1
271.20508	100.0
272.20926	4.6
323.14175	2.6
326.08215	2.5
327.23151	12.7
385.72333	1.9
411.28720	7.0
415.10226	4.2
429.20035	2.5
429.30090	12.8
447.21722	3.6
447.30960	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	447.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10440	0.8
55.01846	0.8
55.05486	1.8
56.53136	0.8
57.03424	1.3
59.04969	1.0
61.02903	1.0
65.03897	0.9
66.91702	0.7
67.05487	5.7
68.99761	1.3
69.03402	3.1
69.07056	2.0
70.94302	1.2
70.94602	1.0
71.01308	1.0
71.04961	1.6
73.02902	11.5
79.05488	4.4
81.03395	1.7
81.07030	6.7
83.04980	4.0
85.02882	2.7
85.07651	1.5
86.09697	3.5
87.00838	0.8
87.04444	1.6
87.05579	1.5
91.05405	3.9
93.03368	0.8
93.07016	8.3
95.04947	3.4
95.08607	5.3
97.02866	1.6
97.06499	1.4
97.10152	1.2
99.04420	1.4
99.82832	0.9
105.07007	6.5
107.04987	1.0
107.08576	6.5
109.02878	1.1
109.06503	15.0
109.10137	8.0
111.00797	1.4
111.04433	1.6
117.05413	0.7
117.06966	1.5
119.08508	4.2
121.02858	1.5
121.10121	11.1
123.08052	1.8
123.11696	1.1
127.03921	1.1
129.05511	1.0
129.06985	1.0
130.06454	0.9
131.08545	4.7
133.10114	8.5
135.08087	0.8
135.11658	2.2
137.02299	5.2
137.09602	3.5
137.70438	0.8
139.03871	0.9
142.07742	2.2
142.17328	0.9
143.08551	3.3
145.10146	5.3
147.11641	10.1
149.02287	1.9
149.09602	1.3
151.03868	0.9
151.11142	1.4
153.01793	7.1
155.08539	2.0
157.07549	1.5
157.10101	16.2
159.11655	7.4
161.13261	1.2
165.01859	2.0
165.09106	1.5
167.10735	1.1
169.10094	1.7
171.11652	3.3
173.13179	1.8
175.08797	0.9
175.11073	3.9
179.03329	1.5
183.11623	1.9
185.13220	2.6
187.04094	0.9
195.02805	1.1
195.11633	1.0
197.13254	3.8
201.05356	2.4
203.14223	0.8
207.02887	2.0
209.13187	1.0
211.14824	3.3
224.15518	1.4
225.16309	1.2
229.04872	5.7
247.06073	1.4
253.19446	22.7
254.19885	0.8
257.04413	4.3
271.20520	46.5
272.20865	2.7
285.03906	0.9
289.03500	0.9
303.04932	100.0
304.05289	10.4
315.04962	0.8
316.16464	1.1
371.07404	1.2
374.61615	0.9
411.29132	4.6
415.10040	2.6
429.11807	1.5
429.29932	10.6
447.12350	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	447.3461
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.05509	1.0
57.07067	7.7
67.05462	1.2
67.17425	0.9
71.08611	3.7
71.42880	1.5
74.86504	0.9
79.05472	1.1
83.04995	0.8
84.73363	0.9
90.79273	1.0
93.07021	1.0
95.01334	1.9
98.21262	1.7
99.00791	9.6
99.04447	1.0
109.02836	1.6
109.61353	0.9
113.02366	2.2
117.01840	1.8
125.05989	1.0
129.08649	1.1
135.04350	1.7
147.86444	1.1
149.05989	1.5
153.05452	3.5
163.07507	2.2
177.09081	1.9
181.04944	13.1
183.06506	1.3
191.07028	2.2
195.06500	32.5
205.08678	1.6
209.08034	16.0
219.13774	1.0
223.09627	17.6
237.11192	13.7
251.12767	7.5
265.14346	4.2
293.17493	1.6
305.31137	1.3
307.19067	1.2
321.20612	2.2
331.51715	1.0
335.21939	1.1
349.23883	1.2
404.36243	1.1
447.34644	100.0
448.34897	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	447.3828
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05504	51.5
57.07070	77.1
60.99509	5.2
67.05484	8.8
69.07059	100.0
71.08624	53.5
71.19513	10.3
71.84988	4.5
74.23642	4.9
81.07033	17.0
83.08607	55.7
85.10173	39.6
86.02435	4.2
91.67690	4.0
93.07037	7.1
95.08587	12.3
97.10152	63.7
107.08564	15.3
109.10109	9.1
111.11698	37.8
112.93427	4.1
121.06509	7.0
123.04376	6.6
125.13264	13.4
135.08029	17.7
137.09584	14.9
139.07515	28.6
141.34044	4.1
149.09602	10.2
151.07524	20.1
152.83585	4.0
153.09071	16.7
163.07512	9.6
163.23338	4.8
165.09093	91.7
169.08615	5.0
177.09091	13.3
181.08551	45.1
191.10725	9.1
202.07335	5.3
205.12119	7.1
238.98723	4.9
371.35794	4.7
429.37170	29.2
447.38309	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95072	0.8
53.03924	2.6
55.01869	7.1
57.03431	1.3
57.25687	0.7
60.04509	1.2
61.02919	1.0
67.05470	1.2
69.03424	10.0
71.04984	4.0
71.68832	1.0
71.69250	1.3
73.02901	2.3
78.03439	7.5
80.04998	2.9
81.03403	15.8
83.04968	1.3
84.08124	1.4
85.02882	10.3
85.87450	0.8
87.04417	0.9
91.05822	1.2
95.04947	1.0
96.04467	4.0
97.02876	12.9
99.04439	22.2
106.02900	37.8
109.02860	19.7
111.04386	1.9
121.06503	0.9
122.06000	2.2
123.04408	2.2
124.03934	100.0
125.04272	1.8
127.03894	45.4
129.10204	0.9
135.04385	1.6
138.05412	0.8
139.03900	3.3
145.04932	5.0
149.02345	1.8
150.05438	1.2
151.03972	0.8
163.03888	4.1
163.06250	1.0
164.07124	1.0
164.86139	0.8
175.63400	0.8
178.05029	1.5
196.06052	1.5
203.03366	0.9
238.06990	1.1
247.84042	0.8
250.07077	23.6
252.97862	1.2
262.79745	0.9
268.08105	32.9
269.08472	1.1
275.96945	1.4
285.03735	0.9
286.09177	42.9
430.13474	1.8
448.15466	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	448.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33332	0.6
52.33889	0.5
53.03930	2.0
55.01862	1.2
55.05490	1.7
55.20087	0.4
56.05021	0.5
58.02913	0.5
58.51154	0.5
60.04507	0.6
61.64193	0.6
67.05481	2.1
69.03416	1.0
69.32073	0.5
69.83197	3.6
70.02943	0.7
70.06592	3.6
72.04477	0.6
72.08116	0.7
79.05488	1.6
80.05005	1.3
81.03391	2.8
81.07059	0.8
82.06566	0.5
83.04969	1.0
84.04489	0.8
84.08105	1.3
85.02877	0.9
86.02427	1.0
86.09676	2.3
87.05580	1.7
88.03982	0.8
89.07164	0.6
91.05444	2.7
93.07014	0.7
94.06536	4.8
95.04929	1.1
95.08611	0.6
96.04469	3.3
96.08101	0.6
98.06072	0.8
98.21503	0.6
105.07009	2.6
107.04939	0.8
109.02858	0.8
110.06032	1.4
111.04385	0.6
117.06991	1.2
119.04929	0.9
119.08577	0.9
120.04544	0.5
122.06004	37.1
123.04412	1.6
124.03951	2.5
124.04745	0.5
124.07556	1.4
126.05509	2.1
127.03902	0.6
129.06992	2.5
130.06480	1.3
131.08562	2.4
132.04414	0.9
133.06496	0.5
133.10097	1.6
136.07640	0.8
138.05478	3.2
139.03905	1.0
140.07007	0.9
141.06934	1.2
142.04971	0.8
142.07800	0.7
143.08528	3.6
145.06447	0.8
145.10097	2.0
150.05475	37.4
151.05821	1.2
152.07042	2.1
154.07741	1.3
155.08516	1.2
157.07591	1.5
157.10109	5.4
158.06039	1.0
159.08051	2.0
159.11652	1.5
161.09595	2.9
163.03882	1.1
163.11156	0.6
166.05008	0.8
167.08527	10.8
168.06523	12.6
169.10150	3.6
172.05972	1.3
175.08664	0.8
176.07076	1.0
177.05424	0.5
177.14861	0.5
178.04985	2.1
178.08597	1.1
181.10010	0.6
183.11572	0.6
184.06113	0.9
185.09578	9.7
187.08641	1.2
187.11180	1.6
189.05470	0.7
193.10104	0.8
195.11684	1.4
196.06026	21.7
197.06308	0.6
197.13249	0.9
198.07587	1.2
203.10635	2.0
205.10060	0.7
207.06439	1.4
207.09991	1.0
207.11699	1.4
213.09021	1.3
214.09882	0.6
219.34076	0.5
223.11220	0.8
231.10120	3.3
240.03212	0.7
242.09158	0.8
249.11154	3.4
253.12183	1.0
257.04443	2.0
260.10336	0.7
264.13788	1.0
269.11554	0.9
281.04398	0.6
282.14890	1.8
286.03824	1.2
287.05414	4.0
292.13269	3.1
294.14764	1.8
310.14291	3.5
320.12860	1.2
328.15402	2.4
338.13794	7.7
356.14865	11.5
366.13315	1.3
373.18527	0.7
374.15884	7.6
384.14438	5.9
402.15405	30.3
403.15527	1.8
420.16461	14.4
420.22174	0.7
421.16785	0.9
430.14847	3.6
430.20575	2.4
448.15942	100.0
449.10132	1.0
449.16150	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	448.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05508	4.0
57.03430	1.7
57.07063	9.2
58.06586	1.8
65.03918	1.0
67.05486	9.7
69.07049	4.1
69.66875	0.8
70.06210	1.4
70.06575	16.8
71.08621	4.3
77.89607	0.8
79.05473	7.7
81.03378	1.3
81.07054	9.2
83.04964	1.8
83.08619	1.6
85.10152	1.5
88.07613	20.7
91.05444	5.9
93.07030	8.7
95.04945	1.9
95.08591	2.7
97.06531	1.8
98.21195	5.1
102.09164	16.8
102.74452	0.8
104.02612	1.8
105.07034	2.1
107.08578	6.0
111.08059	1.0
117.07006	1.8
119.04921	2.2
119.08559	1.1
121.10144	2.4
131.08527	1.0
132.02039	9.0
135.11653	5.2
136.01495	5.3
147.04372	28.3
148.05183	1.3
149.02335	1.6
149.13254	2.2
159.11641	0.9
175.03880	48.2
176.04482	2.5
180.04150	11.7
181.12207	1.3
191.07027	1.9
195.13768	0.9
219.06490	86.3
220.06892	2.6
256.26321	52.4
287.05396	1.0
389.84006	0.9
448.30521	100.0
449.29440	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	449.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
55.05474	0.5
57.03425	2.9
67.05506	0.5
68.99766	0.9
69.03403	1.4
70.06569	0.4
70.74026	1.1
71.04981	14.6
75.04487	0.4
79.31405	0.3
81.03384	0.7
83.04955	0.5
85.02386	0.7
85.02891	14.5
86.09695	0.7
87.05566	0.8
87.09207	0.5
89.07112	0.5
95.04960	0.4
101.05983	0.3
101.45598	0.3
109.02853	0.7
111.00764	1.1
111.04443	0.4
116.02338	0.3
121.02823	1.1
127.03879	0.4
129.05453	3.5
136.07596	0.4
136.37146	0.3
137.02321	5.1
145.02844	1.8
146.05923	0.4
147.06523	0.6
149.02306	0.9
153.01808	5.8
161.05853	0.3
163.03896	0.7
165.01799	2.3
173.05962	0.7
183.02869	0.9
187.03841	0.3
195.02818	0.4
201.05431	3.2
203.07007	0.4
213.05435	0.4
229.04890	4.8
247.05939	0.7
257.04422	3.7
274.04645	0.8
285.03934	1.7
287.05450	6.9
288.06100	0.6
302.04102	0.5
303.04947	100.0
304.05209	3.3
315.04993	2.4
316.05264	0.5
327.04858	0.4
341.06375	0.7
345.06055	2.7
369.05914	0.9
395.07245	0.5
405.09836	0.4
413.08572	1.9
431.09457	1.2
449.10675	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	449.1071
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.09825	0.3
53.03930	0.4
55.01855	0.5
55.05489	0.4
57.03195	0.3
57.03426	3.5
61.02903	0.4
61.81285	0.3
67.05499	0.4
68.99783	0.8
69.03414	1.4
69.48237	0.5
69.48643	2.2
70.06586	2.3
71.04979	23.5
72.08107	0.3
73.02888	0.5
75.04459	0.6
75.49146	0.3
81.03410	0.5
83.04976	0.6
83.23380	0.3
85.02888	24.6
85.07639	1.1
86.07970	0.3
87.04449	0.7
87.05577	7.8
87.09214	11.6
93.77995	0.3
97.02858	0.4
98.21547	0.3
105.07086	0.4
108.19616	0.3
109.02856	0.9
111.00756	1.0
111.04414	0.5
114.64938	0.3
121.02833	1.1
123.04417	0.4
127.03907	0.4
129.05463	5.9
136.07570	0.3
137.02328	3.7
137.03362	0.4
142.29756	0.3
147.06477	1.0
149.02275	0.6
153.01793	5.0
155.04839	0.4
158.98969	0.3
163.03877	0.7
165.01817	2.2
165.09016	0.3
173.05968	0.5
177.05319	0.3
183.02878	0.7
201.05377	1.9
229.04921	5.4
231.10208	0.4
247.05945	0.7
257.04419	3.8
274.04681	0.8
285.03915	1.7
287.05447	5.1
302.03891	0.3
303.04938	100.0
304.05331	3.2
315.04807	1.0
317.13739	1.2
327.04959	0.5
335.14890	0.6
345.05917	1.2
363.14188	0.8
369.05875	0.6
395.07697	0.5
413.08563	1.3
449.10529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.00702	0.3
53.03933	0.5
55.01865	0.7
57.03429	0.6
59.76124	0.3
60.86991	0.4
61.02900	1.3
68.99772	0.9
69.03419	3.5
69.22214	0.4
70.82542	1.1
74.42906	0.3
81.03404	1.5
85.02893	8.2
97.02886	3.1
99.04443	0.5
109.02858	1.1
121.02874	3.6
127.03899	1.6
133.02834	0.6
137.02348	0.8
140.75378	0.4
145.04913	1.1
147.04361	1.0
153.01807	4.5
161.05800	0.5
165.01837	2.6
171.04318	0.5
171.76353	0.4
177.82967	0.4
183.02840	0.7
185.06026	0.8
213.05447	1.7
229.04962	0.4
231.06561	0.5
241.04813	0.9
258.05197	1.1
287.05457	100.0
288.05756	2.3
303.04935	0.7
345.33359	0.5
467.37152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01853	0.6
57.03418	0.7
59.04999	0.2
61.02918	1.1
61.12524	0.2
68.99770	0.6
69.03419	2.9
71.04963	0.3
71.16727	0.5
73.02917	0.4
79.05478	0.3
79.53489	0.2
81.03409	1.7
82.23583	0.2
85.02892	9.9
87.04445	0.4
91.03935	0.5
97.02878	3.0
98.01642	0.2
99.04414	0.6
105.03370	0.3
107.04945	0.4
109.02861	0.9
111.00764	0.8
111.04401	0.3
121.02847	3.1
127.03903	2.0
133.02802	0.6
137.02312	1.0
145.04933	1.5
145.06514	0.3
147.04401	0.7
153.01805	4.5
157.06436	0.6
164.35616	0.2
165.01796	2.1
171.04410	0.4
183.02823	1.0
185.05928	0.4
213.05370	1.5
231.06464	0.6
240.46182	0.2
241.04900	1.0
258.05176	1.1
259.05875	0.5
269.04611	0.3
287.05447	100.0
288.05786	3.5
299.05365	0.4
301.39877	0.2
303.05011	0.2
329.06378	0.2
353.06683	0.3
372.55997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03933	0.4
55.01848	0.5
57.03423	0.8
61.02915	1.5
68.99781	0.7
69.03420	3.1
70.25706	0.5
71.04987	0.3
73.02898	0.3
78.35709	0.2
79.05468	0.2
80.62054	0.2
81.03410	1.4
83.01341	0.2
85.02893	9.0
87.04427	0.5
91.03949	0.5
97.02878	3.3
99.04425	0.7
105.03378	0.5
107.04958	0.4
108.69762	0.2
109.02859	1.2
111.00783	0.7
121.02847	3.1
125.59255	0.2
127.03915	1.7
129.06993	0.2
133.02837	0.6
135.04431	0.2
135.50710	0.1
137.02318	1.0
145.04932	1.5
147.04362	0.6
153.01804	4.6
157.06441	0.4
165.01817	2.2
166.02129	0.2
171.04347	0.3
183.02881	1.0
185.05956	0.5
189.05531	0.3
197.05898	0.2
203.03349	0.2
210.18086	0.2
213.05443	1.5
231.06410	0.8
241.04868	0.9
241.07109	0.2
258.05203	1.2
258.54688	0.2
259.06015	0.4
269.04489	0.2
287.05453	100.0
288.05798	4.0
299.05420	0.2
443.82730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.05011	2.7
56.06514	1.6
56.96548	4.3
59.06061	1.6
61.02908	1.9
69.03401	2.6
69.06745	1.3
69.07056	10.7
70.02929	4.7
70.06576	2.8
71.69241	1.9
72.93768	1.7
81.03389	2.4
83.06096	1.9
84.04487	94.0
84.08118	6.0
85.02892	3.5
85.03999	3.8
86.09699	14.4
86.72984	1.4
87.05572	13.3
89.03869	2.1
95.04939	1.8
96.04465	5.7
96.08075	2.0
97.02869	3.4
97.06470	1.6
98.02381	8.1
98.06036	2.8
98.97573	2.2
101.07127	1.8
106.02878	2.3
107.04929	1.7
109.02824	1.7
110.02381	11.7
111.04383	1.9
112.95556	1.6
113.10746	12.6
116.98598	2.1
117.03364	2.6
120.08033	3.1
120.65238	1.7
121.06457	1.8
123.04398	6.5
124.03924	12.1
125.04273	3.4
126.05489	100.0
127.03854	2.7
127.05791	2.2
128.98659	1.7
132.10168	6.3
135.04384	5.7
135.05431	1.7
138.05464	12.5
139.03862	6.7
141.10199	23.8
144.06590	3.6
145.02768	2.4
146.99628	2.3
147.04366	3.0
155.11746	2.4
160.94046	1.6
163.03877	20.5
164.66469	1.6
166.07277	2.9
166.08603	31.2
168.06538	2.9
186.07532	1.8
187.10777	14.4
189.00475	2.3
200.13901	9.0
204.08641	22.6
211.10803	2.7
212.09123	19.6
228.13329	9.4
229.11792	31.4
237.02791	2.1
246.14455	39.6
252.97858	5.2
275.97067	3.7
287.05447	7.3
299.05527	2.0
344.83151	1.8
426.02332	2.2
449.08670	2.5
449.15125	2.4
473.07669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08926	2.1
55.05507	16.4
56.49289	2.4
57.03428	14.5
57.07060	4.1
58.10750	2.3
67.05136	3.4
67.05489	43.5
69.07055	22.5
70.95023	4.7
70.95370	5.5
71.08617	7.7
79.05478	18.8
80.10923	2.6
81.07046	50.6
83.08636	12.1
86.09605	2.3
91.05472	12.0
93.07030	15.1
95.08596	36.1
97.10135	8.3
98.98435	7.7
105.07011	7.5
106.23098	2.6
107.08562	11.0
109.10130	14.8
111.08105	3.3
112.99997	89.8
119.08520	5.1
121.10115	7.1
123.11661	5.3
131.08502	3.7
133.10086	4.4
135.11609	2.5
136.99942	8.5
145.10123	3.5
147.11670	2.8
148.50203	2.7
149.13239	4.2
155.01009	8.5
169.02580	30.1
172.29077	2.8
187.03622	5.5
245.22633	4.0
263.23611	5.7
313.27417	4.6
337.27328	100.0
338.27341	3.1
357.24228	5.9
449.26675	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	449.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.4
55.01849	10.5
55.05504	37.7
57.03430	15.3
57.03661	3.0
57.07059	3.3
65.03938	3.0
67.05493	60.7
69.03400	8.4
69.07054	30.6
70.06554	3.1
71.04971	7.1
71.30730	2.9
71.31059	4.3
73.37075	2.4
79.05480	56.0
81.03400	30.3
81.07045	100.0
83.04952	9.1
83.08596	21.4
85.02883	6.6
85.06520	5.9
88.29315	2.7
91.05466	50.1
93.07028	54.3
95.04955	59.9
95.08583	39.5
96.42527	3.1
97.02875	4.0
97.06503	8.0
97.10148	17.1
99.04421	4.2
99.08100	3.4
105.07012	50.0
107.04938	26.2
107.07912	3.6
107.08576	38.3
107.37891	2.4
109.02845	3.3
109.06496	16.4
109.10136	18.5
111.08050	4.6
115.05471	4.4
117.07018	22.4
119.08566	36.5
120.08992	2.7
121.06497	21.2
121.10104	21.1
123.04401	3.7
123.08045	11.6
123.11678	13.5
125.09649	14.1
128.06192	5.1
129.06964	8.1
131.04886	3.2
131.08556	21.8
133.06438	7.2
133.10104	11.2
135.08026	15.6
135.11670	7.2
137.05942	3.8
137.09593	4.1
139.03873	3.6
141.06955	4.1
143.08536	11.9
145.06442	2.8
145.10101	19.1
147.04271	3.0
147.08008	10.1
147.11662	28.2
149.09566	9.3
149.13275	4.5
153.05461	2.6
153.09021	2.9
155.08484	4.4
157.10091	10.4
157.45589	3.1
159.07990	3.5
159.11655	7.8
160.52750	3.1
161.09590	9.3
161.13222	5.0
163.11157	11.7
165.12714	7.9
169.10078	6.5
171.11667	10.8
173.09636	4.4
173.13197	3.9
175.11229	5.2
177.12785	3.9
181.10121	3.5
183.11650	5.5
185.13194	9.1
187.11136	3.5
187.14783	4.7
189.11195	7.9
189.12729	7.7
191.10551	3.0
193.12238	13.3
195.11658	4.1
203.14270	4.6
205.12160	5.2
205.15817	8.8
211.14899	3.2
219.13853	3.8
223.13190	4.9
231.13794	4.4
239.16380	4.7
245.15259	3.3
259.16693	3.0
263.16412	5.5
267.15891	10.4
287.05447	28.4
288.05685	3.4
321.21970	3.6
329.24670	5.2
339.23431	15.8
357.24188	73.7
375.25171	24.1
385.30637	2.8
413.26154	4.7
431.27750	61.0
432.27957	3.1
449.28888	82.3
450.16446	5.7
450.29297	5.4
454.42517	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33323	0.9
55.01845	1.5
56.05026	1.3
57.03418	1.2
58.06594	19.3
59.06112	2.5
60.04509	1.7
67.05490	1.5
68.04979	1.0
68.99802	1.0
69.03402	3.1
69.07046	1.8
69.67616	3.7
69.68057	3.1
70.06571	1.0
71.04991	8.8
72.04483	1.7
72.05306	2.1
72.08141	2.6
74.06065	11.4
74.09711	2.8
75.05592	1.4
75.49001	0.9
79.05476	2.6
81.03419	1.5
81.07054	1.0
83.04958	1.1
84.04487	2.2
85.02888	9.0
86.03223	2.6
86.09686	4.2
90.05554	2.4
91.05478	3.2
93.07050	2.1
95.04958	1.1
95.08606	0.8
96.04486	2.6
97.02907	1.1
100.03970	4.0
105.07002	3.8
107.04903	1.2
107.08613	1.7
109.02835	1.2
110.02400	1.4
110.06019	2.2
111.04444	1.1
112.03977	1.2
114.05517	1.1
117.07022	3.0
119.08610	1.1
121.06454	1.4
122.06120	1.1
123.04460	1.5
124.03945	1.5
127.03876	1.9
128.06197	1.8
129.05470	1.8
129.07014	1.8
131.04947	1.2
131.08556	4.8
133.10124	2.0
136.07565	1.3
137.02312	2.8
138.02654	1.1
138.05516	2.3
139.03888	1.1
141.06958	2.0
142.04991	6.9
143.08542	6.2
145.06473	1.5
145.10112	3.6
146.06046	1.8
147.04411	1.2
149.05925	1.0
152.03400	1.0
153.01794	2.1
154.02159	1.1
154.07767	2.2
155.08594	2.4
157.10110	8.7
158.31654	1.0
159.08060	3.4
161.09610	4.1
164.07063	1.8
165.05490	3.3
167.08531	18.5
169.10114	7.6
170.07278	1.4
175.11205	1.5
176.07101	1.6
179.08551	1.8
181.10120	2.0
183.02971	1.1
183.08119	1.5
183.11636	1.3
185.09598	22.9
187.11119	5.2
191.06544	1.1
193.10103	3.3
195.08078	1.5
197.09546	2.0
199.11183	1.3
201.09100	2.0
203.10663	4.1
211.11140	2.3
213.09129	1.8
221.09579	2.6
225.09172	1.2
230.05302	1.1
231.10075	7.2
239.10699	2.0
240.13763	1.0
249.09151	0.7
249.11205	19.6
253.14238	1.1
256.13324	1.2
257.11621	1.2
258.04599	1.5
267.10199	1.6
269.30142	1.0
286.14352	3.0
287.05432	1.9
288.05783	2.3
289.10684	2.8
295.12097	1.4
302.14450	0.9
303.04953	15.6
303.12122	1.3
304.05289	37.3
305.05606	1.9
307.11682	7.4
308.12570	1.1
312.12305	2.2
317.09888	1.3
326.13867	2.0
330.13416	5.3
331.11526	1.9
332.14896	8.8
335.11139	2.2
344.14859	3.8
345.13159	5.3
348.14386	1.3
349.12753	2.9
354.13080	1.1
358.12805	4.5
359.12366	1.2
360.14484	9.1
363.14218	2.9
372.14410	11.4
375.13843	1.3
376.13818	8.8
377.12222	1.5
390.15399	5.7
391.13770	5.9
400.13855	18.2
405.10184	2.1
414.08884	1.3
418.14932	9.1
450.17538	100.0
451.17810	5.7
456.73526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59273	0.9
56.96560	1.0
66.93318	1.0
70.34632	0.9
70.71587	3.6
97.76960	1.0
98.21541	1.1
349.08392	1.1
391.02643	1.2
451.04782	100.0
452.05466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74619	1.1
52.13136	1.2
55.01854	5.3
59.42012	1.2
61.64057	1.4
67.05457	1.9
68.99767	3.2
71.43698	2.9
77.03898	1.7
80.03204	1.3
85.02871	1.3
89.36896	1.3
91.05465	3.4
95.04942	1.9
103.05453	2.8
105.03379	1.9
107.04929	2.3
115.05437	2.0
117.03329	1.6
119.04937	9.5
123.04414	84.5
124.04742	1.7
131.04916	3.9
133.06490	2.7
135.04388	4.5
137.02348	1.2
139.03905	1.7
141.01794	4.9
143.04890	2.9
147.04381	43.9
151.03828	1.7
153.01852	2.8
154.11656	1.4
155.04951	2.2
157.02737	1.5
159.04361	4.5
161.05952	10.9
163.03835	6.2
165.05440	6.8
169.06416	1.8
171.04425	9.8
173.05966	2.7
175.03889	6.3
177.05467	8.4
179.04820	1.3
179.07002	1.7
183.04387	4.4
185.05923	1.8
187.03772	3.1
189.05428	29.1
189.07130	1.9
193.04976	2.8
196.46146	1.2
197.05890	4.3
199.03885	26.8
201.05431	20.2
203.03368	100.0
204.03728	2.1
205.04938	3.7
207.04448	2.1
207.06529	3.9
211.03870	12.9
213.05492	4.8
215.03192	1.7
216.06003	1.4
217.04945	14.4
221.04358	1.9
225.05472	3.6
227.03354	26.8
229.04970	5.2
233.04443	16.9
235.04044	1.8
237.05312	3.0
239.03392	7.1
241.05086	2.4
245.04402	23.5
253.04942	10.3
255.02936	1.5
255.06467	5.3
257.04422	38.7
269.04376	3.1
271.05960	2.2
273.04071	1.9
275.05499	1.9
281.04459	13.6
283.05927	3.3
287.05527	5.7
293.04214	1.3
299.05402	23.8
301.07095	1.3
311.05521	8.7
313.08234	1.3
329.06564	2.5
363.08627	2.5
373.06949	1.5
387.08539	3.7
391.08163	11.9
409.09158	27.7
415.08038	6.7
433.09009	13.6
451.10245	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	451.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25508	1.0
51.02369	1.7
55.01863	4.8
68.99783	3.5
70.06582	1.9
70.31947	4.2
83.04971	1.3
85.02900	1.3
91.05469	4.1
95.01317	1.0
95.04957	2.4
97.02882	2.0
97.34186	1.0
103.05430	1.4
105.03378	2.3
105.06968	1.4
107.04961	1.6
111.00797	1.2
111.04470	1.8
114.37146	1.0
115.05453	2.7
119.04922	8.5
121.24013	1.1
123.04415	82.3
123.23123	1.1
127.33218	1.0
127.74439	1.1
131.04944	3.1
133.06451	2.9
135.04420	6.7
137.02335	2.2
139.03880	4.0
141.01797	4.5
143.04901	3.4
143.50540	1.1
145.06419	1.2
147.04391	44.8
148.04759	1.2
149.05978	3.0
151.03851	1.6
153.01825	3.5
153.05415	1.7
155.04924	1.2
159.04416	3.8
161.05957	10.6
163.03900	7.1
165.05408	5.5
169.06546	1.4
171.04385	4.6
173.05952	3.4
175.03906	5.7
177.05453	8.7
179.03395	1.5
179.07001	1.1
181.06534	1.2
183.04436	3.5
187.03842	2.8
189.05435	33.4
193.04945	2.7
197.05992	2.0
199.03893	9.0
201.05455	7.4
203.03368	100.0
204.03609	1.4
205.04916	4.7
207.04510	1.5
207.06546	2.8
211.03925	4.5
212.04674	1.3
213.05409	5.4
215.03346	1.5
217.04918	21.9
225.05423	1.9
227.03386	8.0
229.04846	5.2
231.06491	1.6
233.04417	12.9
235.03949	1.6
237.05531	2.0
239.03374	1.2
241.04913	1.1
245.04446	24.8
247.06030	3.2
249.05527	2.1
251.52798	1.3
252.97945	1.7
253.04939	10.7
253.98152	1.5
254.05453	1.3
255.06429	5.2
257.04410	34.8
258.05087	1.7
259.06970	1.4
265.04929	1.7
269.04443	4.9
271.06015	3.5
273.03934	3.4
275.05466	4.7
281.04459	13.6
283.05859	4.0
287.05374	9.8
299.05463	27.6
300.05627	1.4
301.06879	1.5
311.05524	8.0
323.05643	1.1
329.06458	1.7
337.60056	1.3
341.07312	1.2
345.07562	2.2
363.08636	3.1
387.08633	3.0
391.08063	22.5
392.08240	1.6
405.09763	1.6
409.09180	28.0
410.09518	1.8
415.08032	6.1
433.09143	18.2
451.04315	1.5
451.10187	19.4
451.16400	1.9
452.10272	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	20.5
67.05491	22.1
69.03408	20.0
69.07047	28.2
69.42526	9.0
69.59048	15.8
69.59456	69.1
70.06574	17.8
71.18598	9.4
79.05492	24.1
81.07028	56.1
83.08580	14.0
85.02888	24.9
85.06513	9.8
86.09676	18.5
91.05448	48.3
93.07023	40.7
95.08595	66.6
97.02881	9.8
97.06516	15.2
105.07020	40.0
107.04916	16.2
107.08572	25.5
109.10120	12.9
119.04977	14.6
119.08584	32.4
123.04404	35.0
123.11668	11.6
124.04790	11.1
127.03895	13.7
127.46031	10.6
131.08536	14.0
133.10109	27.9
135.11661	11.2
137.05969	34.3
147.04347	19.6
159.11665	12.3
161.05981	17.5
161.07953	19.8
161.13229	27.6
163.03998	19.5
179.14334	22.3
184.07326	18.6
259.09561	21.8
271.19006	100.0
299.08871	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	452.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.1
55.01855	7.8
55.05494	4.9
57.03421	6.2
57.07054	4.5
58.06567	3.0
59.04980	10.8
59.06097	6.3
60.04508	6.5
60.08131	4.6
61.02914	4.9
67.05495	5.8
68.99780	2.2
69.03421	34.9
69.07043	5.1
70.06548	4.3
71.04993	20.2
71.18896	5.6
72.08125	3.3
72.22767	2.4
72.40990	2.3
73.02895	4.5
74.06065	3.4
75.05593	2.2
76.03977	7.7
79.05465	8.3
81.03411	31.9
81.07038	35.8
83.01234	2.5
83.04955	4.7
84.08113	4.5
85.02890	71.6
85.06525	5.2
85.14267	2.2
87.00819	29.1
87.04440	5.5
91.03902	4.3
91.05457	4.6
93.07003	6.9
93.31248	2.2
95.04948	5.1
95.08578	3.9
97.02885	26.7
97.06509	10.8
99.04456	12.4
105.01841	22.5
105.06982	3.2
107.04923	2.9
107.08566	14.1
109.02865	34.6
109.06496	5.1
109.10130	24.4
111.08079	3.3
117.01826	3.9
120.08070	2.5
121.10152	2.6
123.04417	4.1
123.11691	24.0
125.09606	3.4
127.03899	47.5
127.11172	3.9
133.10088	7.8
135.04236	2.7
137.65009	2.6
139.11134	6.9
139.55695	2.3
145.04927	22.5
147.04382	6.7
151.11160	46.9
157.12225	4.8
159.02847	18.1
169.12219	100.0
170.12543	2.4
173.26352	2.1
187.13269	54.4
231.04918	6.1
290.10220	19.7
375.14456	5.2
391.13400	2.7
452.18137	10.7
453.17532	2.6
453.23471	3.4
460.83658	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	453.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92117	0.7
56.96555	48.1
57.59142	0.6
59.75219	0.7
60.10096	0.6
70.05826	4.2
70.79962	0.6
70.98049	0.8
71.95248	0.8
79.05480	1.4
79.79985	0.6
84.96017	3.8
85.05406	0.6
85.09087	0.6
89.03898	12.0
91.05458	0.7
95.04946	1.9
98.97572	6.1
106.07843	0.7
107.04935	3.5
111.04355	0.7
112.99119	1.8
116.98635	4.6
117.03362	13.6
119.01891	0.8
123.04423	2.5
124.99081	3.5
127.00646	1.3
128.98582	2.0
131.00136	2.0
134.99628	1.8
135.04391	27.6
136.04678	1.3
139.03905	3.1
141.02209	2.2
143.00146	10.7
144.99818	0.7
145.01758	1.3
145.02789	17.3
146.99597	2.1
147.04312	0.9
149.01172	2.2
152.98625	1.6
157.01709	1.8
158.99611	1.3
159.03253	4.3
161.01199	13.4
163.03876	100.0
164.04216	3.3
165.00708	1.0
167.00186	1.9
168.98036	1.1
169.01698	2.3
170.99586	5.8
175.00645	2.0
177.00661	0.9
179.02226	2.3
181.01715	0.9
184.00475	0.6
185.01190	6.0
185.06682	0.6
186.99109	1.9
187.02812	5.1
189.00681	9.9
189.02264	1.1
190.98582	1.1
191.00092	1.3
193.01711	5.3
194.99600	1.1
197.01175	1.6
200.98676	2.2
203.02255	6.3
205.00171	2.3
205.03729	1.4
206.99818	0.7
207.01721	2.0
209.01212	6.3
211.02769	7.2
213.00668	4.4
217.00224	0.8
218.99646	9.8
219.01678	1.5
221.01282	1.3
221.03282	3.9
223.02921	1.2
225.00595	1.3
227.02263	2.1
229.03807	2.3
231.01671	6.7
233.01312	1.6
237.00667	62.3
237.02538	2.3
238.01038	1.6
249.02766	5.9
251.02373	1.9
255.01718	57.0
256.02097	1.7
257.04565	0.8
260.02341	1.4
261.00601	1.0
269.03317	3.5
271.93301	0.8
273.02768	51.2
274.03299	1.7
278.03311	1.8
279.01639	0.9
287.02197	1.8
291.03638	1.4
302.04453	0.7
305.03275	3.3
309.04993	0.8
315.01559	3.8
323.04294	4.0
329.03067	1.2
331.01236	0.9
331.04892	1.6
333.02863	3.8
347.00330	0.7
347.04340	3.0
349.02170	2.8
349.05991	2.4
351.03900	0.7
365.05429	2.4
367.03302	3.8
375.03784	5.4
393.04800	17.5
411.05917	28.4
412.06262	1.4
429.06992	56.3
430.07239	2.7
434.07599	2.3
447.07928	2.8
452.08456	2.4
453.06894	8.4
471.07983	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1375
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	1.6
55.01859	3.3
56.96547	4.5
59.06103	2.5
65.03924	1.9
67.05485	2.1
68.99790	2.8
69.03410	4.7
69.03741	1.0
69.96233	6.4
70.06600	1.8
75.05599	1.7
75.30954	1.1
80.36324	0.9
81.03401	1.6
82.88041	1.2
83.04962	2.8
84.04471	1.3
84.08125	2.7
85.02898	9.1
89.03925	1.8
91.05486	3.4
93.03374	1.6
95.04957	3.6
97.02874	3.9
103.05488	1.1
107.04966	1.6
109.02843	1.3
110.07051	1.1
111.04404	4.6
112.87035	1.0
118.06580	0.9
119.04922	6.4
123.04411	69.3
127.03915	3.6
129.05521	0.9
131.04915	1.5
135.04407	7.7
136.07553	1.8
139.03876	100.0
140.04210	1.5
143.04858	1.9
145.02873	1.6
145.04945	1.4
146.06023	1.8
147.04384	23.2
151.03899	7.0
161.05936	6.0
162.05504	1.9
163.03885	23.2
163.05157	1.9
164.04126	1.2
164.07048	2.9
165.01877	1.3
165.05452	15.6
169.04930	1.3
174.05571	1.7
175.03969	2.3
175.06219	2.0
176.06964	1.2
177.05469	1.8
179.07037	1.2
181.04929	2.9
189.00677	1.3
189.05460	2.4
202.05028	2.2
205.04976	3.6
207.06447	5.6
215.08038	1.6
217.04965	1.2
220.06000	1.2
233.09354	1.9
234.07899	1.0
237.00679	5.5
243.07576	2.0
247.06015	2.3
255.01755	3.0
255.06543	1.0
261.08643	2.5
273.02844	3.2
273.07489	2.4
273.59329	1.1
291.08585	24.3
291.13422	1.3
301.06781	1.8
303.08524	1.8
411.06128	3.0
429.06812	7.3
453.14810	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	453.1384
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.43528	0.8
53.03934	1.5
55.01856	2.6
56.96554	1.5
57.03423	1.4
61.02916	2.3
65.03923	1.0
67.05486	1.1
68.99788	1.7
69.03420	6.7
69.80339	0.8
70.06579	3.2
71.58301	1.6
72.08152	0.9
73.02914	1.1
74.06059	1.9
75.05590	4.0
79.05474	1.0
81.03408	3.9
83.04977	1.0
84.08142	1.9
85.02889	17.8
87.09205	3.0
91.05486	2.0
93.03428	0.9
95.04967	2.7
97.02882	6.7
99.04463	1.6
105.03426	1.1
107.04943	3.3
109.02859	2.7
111.04414	2.0
119.04926	6.4
120.08086	1.3
121.02876	0.8
122.05972	0.7
123.04409	70.4
124.04772	1.7
124.84141	0.8
127.03903	5.0
129.10199	1.0
132.08426	1.0
133.06485	1.3
135.04424	6.3
136.07585	1.2
137.02357	1.4
139.03880	100.0
140.04185	1.6
143.04871	1.2
145.04932	2.9
147.04387	20.3
151.03882	7.8
157.10187	0.9
161.05901	4.3
163.03888	17.3
163.05154	1.3
165.05457	13.6
169.04915	1.6
175.03865	2.0
177.05489	2.6
179.03391	1.0
179.07065	2.2
181.04927	3.3
184.61847	0.8
189.05402	2.4
193.04939	0.8
197.01262	1.2
199.03844	1.0
199.16565	0.7
201.05455	1.0
203.03357	1.9
204.03659	0.8
205.05093	4.5
207.06511	4.7
213.05547	1.6
217.04967	1.7
228.10268	0.9
229.04843	1.4
235.06053	1.1
247.06171	1.9
257.04562	1.2
265.07059	1.3
273.07452	5.5
283.05789	1.6
285.07559	1.7
291.08563	24.2
291.13409	1.8
292.08826	1.3
301.06454	1.5
303.08484	1.2
313.06805	1.0
337.59814	0.8
344.81104	0.8
357.09583	1.0
435.10394	2.3
444.76630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1383
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02361	0.8
53.03919	0.7
54.28309	0.7
55.01863	1.7
56.08459	0.6
56.96550	2.4
57.03420	1.4
61.02909	1.5
65.03933	1.3
67.05472	1.6
68.98346	0.7
68.99782	2.2
69.03432	3.6
69.42413	6.4
71.04971	0.7
72.75321	0.6
81.03397	1.5
83.04976	1.1
85.02890	11.4
89.03921	1.0
91.05493	0.9
93.03406	0.8
95.04945	2.2
97.02873	3.4
98.20714	1.1
99.04461	1.0
100.35799	0.7
103.03919	0.6
107.04905	1.2
109.02833	1.4
111.04427	2.8
115.05423	0.7
119.04898	3.9
123.04410	59.3
124.04681	0.8
127.03902	2.1
134.05968	0.7
135.04414	3.3
137.05925	1.3
139.03880	100.0
140.04247	1.5
143.00215	0.7
143.04916	1.4
145.02818	1.2
145.04935	2.2
147.03300	1.3
147.04387	18.6
149.06023	0.6
151.03929	4.8
153.05513	1.0
161.05968	3.8
163.03880	12.9
164.04167	0.6
165.05461	15.8
169.04916	1.1
175.03882	0.7
177.05428	1.4
179.07031	1.9
181.04964	2.9
189.05446	1.2
205.04922	2.6
207.06477	4.7
209.01102	0.8
235.05948	1.1
237.00706	3.2
247.06070	1.6
249.07568	0.8
255.01758	1.5
265.06949	0.8
265.32755	0.7
273.02737	1.8
273.07553	2.4
283.08026	0.8
291.08585	24.4
292.09106	1.0
301.09344	1.4
315.08545	1.1
317.68967	0.6
411.05984	1.0
429.07077	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	454.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.01847	1.1
57.03420	1.6
61.02913	1.9
66.14110	1.1
67.05493	1.0
69.03420	5.6
71.24091	2.3
73.02873	1.0
79.05469	1.3
81.03397	1.6
81.07034	1.1
82.33053	0.8
85.02886	19.3
91.05458	5.9
95.04927	1.2
97.02856	3.9
99.04395	1.2
103.05440	2.0
105.07009	9.5
107.04914	3.9
109.02865	2.3
111.04388	2.1
119.04942	7.1
121.06459	2.9
123.04414	2.6
127.03893	4.3
133.06465	17.9
135.04381	1.3
135.07991	1.8
137.05949	6.5
145.04933	2.4
145.06470	2.0
147.04341	1.1
147.90707	0.9
149.05939	1.7
151.07535	1.2
159.08080	1.0
161.09572	1.1
163.03877	1.3
163.07495	1.3
165.06967	1.3
182.07253	1.2
191.03386	3.1
192.03615	2.0
195.07951	1.1
197.09647	2.3
210.06699	3.1
211.07564	1.4
225.09006	4.3
226.09851	3.1
239.10576	1.3
242.09332	4.2
257.11682	100.0
258.11880	3.5
275.12665	2.2
281.11676	1.8
283.10803	2.4
299.12811	1.2
323.12793	1.5
343.12869	2.0
344.08420	1.0
412.39517	1.0
419.16916	4.6
437.17459	1.3
444.83618	1.1
454.19354	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	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01858	7.9
55.05503	6.9
57.03424	11.4
61.02913	7.2
67.05476	9.0
67.72543	1.8
68.99772	3.3
69.03419	39.2
69.07063	5.7
69.53229	1.9
69.53541	18.0
71.04980	18.2
71.08618	23.9
73.02908	8.1
76.16898	1.7
81.03410	32.5
81.07045	3.5
82.06568	1.8
83.04960	2.4
83.08613	8.4
85.02895	96.5
85.06528	1.9
87.00816	36.8
88.79591	1.6
91.03952	2.2
95.08591	2.3
96.21880	1.7
97.02879	36.5
99.04466	9.7
99.08079	40.6
100.11243	13.5
105.01847	49.6
109.02857	36.6
109.10135	39.5
111.04449	2.2
115.03916	2.0
117.01797	3.7
127.03902	72.5
127.04861	3.5
127.11172	20.5
129.01807	2.8
145.04926	26.7
145.12206	100.0
146.12631	2.8
147.02867	4.0
153.12683	3.6
159.02856	18.3
167.07121	1.9
171.13766	19.6
181.12273	1.9
182.15361	14.5
183.11636	2.2
189.03914	2.7
189.14821	19.4
209.16348	3.3
210.14816	10.7
211.13240	2.8
213.03877	5.2
231.05017	15.0
235.13275	4.1
249.06035	2.5
253.14346	5.3
257.85751	2.3
279.15948	3.6
339.14227	3.0
357.15356	4.5
375.16547	2.7
420.81174	2.5
454.18927	3.0
454.32608	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
53.40924	1.9
54.46086	2.0
55.01859	6.6
55.05491	8.5
57.03426	10.4
57.07058	3.7
61.02913	3.9
67.05491	5.7
67.21915	2.1
69.03419	25.6
69.07051	4.9
69.36832	5.7
69.37243	15.7
70.06584	3.0
71.04979	21.3
71.08624	19.7
73.02912	6.1
75.54490	1.9
81.03406	19.3
82.06567	2.3
83.08598	11.5
85.02888	67.1
87.00811	30.6
93.07076	1.8
95.08631	2.4
97.02876	25.6
98.20641	3.9
99.04438	12.1
99.08073	27.1
100.07611	2.6
100.11248	30.6
101.11588	3.9
105.01846	30.6
109.02861	25.6
109.06539	2.2
109.10139	33.3
110.06006	2.6
111.04434	4.4
117.01859	4.0
123.04448	3.2
127.03896	51.5
127.11128	10.2
128.07031	3.2
129.01846	2.8
145.04955	20.5
145.12212	100.0
147.02808	2.5
147.11644	2.6
153.12679	2.8
159.02888	12.2
167.63649	2.2
171.13811	10.9
175.79669	2.1
182.15363	12.8
183.15775	3.2
189.14813	22.1
191.03430	2.4
199.18039	2.2
209.16415	5.3
210.14879	11.8
210.16716	4.1
211.13332	2.9
211.15141	3.2
213.03970	3.3
231.05022	10.4
249.69002	2.0
257.11688	4.1
276.72836	4.3
277.22922	4.0
317.97284	2.6
389.81064	2.2
390.31323	3.7
390.81290	2.7
395.90585	2.3
408.18582	2.4
436.26114	2.4
444.83795	5.0
453.84738	4.6
454.18622	12.6
454.34497	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05480	2.6
57.03422	5.0
57.07068	24.2
62.06080	25.5
67.05501	2.9
69.07059	4.6
70.83123	1.6
70.83493	1.0
71.08250	1.0
71.08620	15.3
76.89175	0.7
79.05487	0.7
81.07040	5.5
83.08613	3.8
85.10168	8.3
89.06001	1.1
95.08588	8.0
97.10165	3.0
98.98452	5.3
109.10147	3.5
120.05999	0.7
123.11629	0.9
124.01559	1.3
142.02658	1.4
146.33311	0.7
155.00999	5.9
169.55382	0.6
195.75008	0.6
198.05249	1.4
216.06335	2.4
239.23645	1.8
282.27878	12.1
313.27313	100.0
314.27567	2.8
393.23929	5.7
436.28162	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	456.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01867	2.7
55.05525	0.9
57.03424	2.1
57.07066	12.6
59.04992	100.0
61.02918	1.8
61.21051	0.7
65.83266	0.6
67.05505	1.2
69.03419	8.2
69.07076	1.3
69.35612	8.0
70.06599	0.8
71.04970	1.1
80.80817	0.7
81.03412	6.0
81.07037	1.4
85.02895	18.1
87.00813	8.7
91.05487	1.0
91.25069	0.8
93.06985	0.9
93.64886	0.7
95.04988	0.7
95.08576	1.3
96.08952	0.7
97.02882	4.7
97.10152	1.2
98.02379	0.7
99.04453	1.8
100.52940	0.8
105.01856	4.8
105.06989	1.3
109.02877	5.0
109.10197	1.0
115.11195	28.8
116.11538	0.9
117.09135	2.1
119.08565	1.3
127.03898	8.9
129.07074	0.8
135.08058	0.7
135.11736	1.1
145.04959	2.7
145.10042	0.9
151.07568	0.8
159.02901	2.6
173.15372	4.6
191.07109	1.5
191.16394	51.0
192.11095	0.7
192.16747	0.9
208.09673	2.5
228.21429	0.7
231.05055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.19530	1.3
55.01857	1.5
55.05503	2.3
57.07061	15.9
59.04991	100.0
60.05323	1.1
61.02905	1.8
67.05489	1.8
68.99782	1.2
69.03414	10.0
69.40205	13.5
70.06567	2.2
71.04982	2.0
71.66332	1.2
73.02895	2.1
79.05459	1.8
81.03418	8.5
81.07050	2.5
83.04977	2.2
85.02898	21.5
86.09687	1.3
87.00828	8.5
93.06990	2.0
95.08607	2.4
97.02880	6.5
97.06541	1.8
97.10146	1.5
99.04443	2.4
99.08096	1.3
105.01835	9.3
105.07006	2.2
109.02854	8.4
109.06487	1.2
109.10141	2.7
114.51541	1.1
115.11189	33.6
117.01824	1.4
120.08159	1.2
123.04431	1.3
123.11672	1.5
127.03894	9.9
133.10141	1.3
145.04962	3.2
145.10054	1.5
159.02927	3.8
165.09099	2.8
173.15404	5.1
191.06993	3.3
191.14642	3.0
191.16397	56.9
192.16815	1.3
208.09657	4.2
231.04968	1.8
352.12326	1.8
456.22253	3.7
484.44339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.05504	6.4
56.05014	4.3
57.05772	1.0
58.06594	17.9
58.26455	1.0
59.06100	2.3
59.06889	1.1
62.54942	1.0
65.03935	1.4
67.05489	2.2
67.62566	1.0
68.04991	1.1
68.99777	1.6
69.03416	1.6
70.06586	12.6
72.08141	1.6
75.09224	3.9
79.05477	1.7
81.07030	1.7
82.06560	4.1
83.04966	2.7
83.08615	10.2
84.04490	1.3
84.08123	4.8
85.02896	2.4
85.07657	16.6
86.09666	1.8
87.09211	3.1
91.05495	2.5
95.04972	1.9
95.08615	2.1
96.08116	5.3
98.21429	1.9
99.09152	1.2
101.07115	1.1
101.10744	3.0
105.07030	2.3
107.04954	1.2
108.08091	1.9
109.06451	1.3
110.09666	2.8
111.04440	2.2
111.52012	1.2
112.11227	100.0
115.05480	1.4
117.07001	1.2
122.06025	1.8
123.04421	4.7
127.03892	1.6
128.06218	1.1
129.06990	1.4
129.10210	1.2
131.08543	1.3
133.06487	1.1
134.06071	1.4
135.08057	1.0
136.07552	3.0
138.05621	1.1
138.12743	2.2
139.03891	28.9
139.12291	2.9
143.08487	1.1
147.04376	2.3
147.08037	1.5
148.07518	1.4
149.02400	1.1
150.05472	1.4
150.09116	1.3
151.03870	3.0
151.12314	1.1
152.07054	2.9
153.05472	1.5
154.14633	14.8
155.15414	65.1
156.15779	1.8
159.06290	2.3
159.07986	1.6
160.07593	1.6
161.05945	1.7
161.10803	1.5
162.05475	1.1
162.09198	1.8
163.03908	10.4
164.07079	3.3
171.08124	2.1
173.05937	1.6
175.07561	1.7
176.07028	2.1
177.05423	1.9
179.03453	2.1
186.09082	2.4
188.10844	1.5
189.05440	1.4
191.06961	5.4
199.07481	1.1
200.10712	1.9
201.05392	1.9
202.08574	3.8
203.03412	1.5
203.06995	1.3
204.06535	1.9
205.08461	1.8
212.10747	1.2
216.10104	1.6
218.11707	2.0
219.06503	3.3
219.10144	2.3
220.09656	1.2
227.07048	1.0
229.04971	1.3
230.11850	2.6
231.98625	1.1
232.13301	2.0
233.08125	3.7
244.09682	1.3
246.11218	1.8
249.61815	1.1
258.11295	1.8
260.12881	1.4
272.12766	4.5
273.15970	1.2
274.14297	2.6
276.12341	2.9
284.12830	1.8
289.15414	1.7
301.15433	2.4
302.13770	3.1
303.13141	1.4
321.05850	1.2
321.11099	1.3
324.12314	1.6
339.12161	2.0
352.11862	3.8
367.11560	1.2
383.11264	4.9
384.14267	2.9
386.15976	2.0
394.16196	2.6
396.14453	2.8
402.15320	1.7
411.19113	3.0
414.15421	14.0
421.17563	3.2
422.15924	8.1
429.20142	3.5
439.14111	1.2
439.18762	12.1
440.17206	6.8
441.20230	2.3
457.13144	4.5
457.19485	22.2
458.22995	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	457.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17631	1.7
51.65986	1.6
55.05501	7.4
56.05032	17.6
58.06590	40.7
59.53144	1.7
64.93925	1.9
67.05495	4.1
68.99771	3.7
69.03410	9.2
70.06572	13.6
70.22498	9.6
70.22878	4.5
71.04978	3.4
75.09248	2.7
79.05486	3.5
81.03410	2.8
82.06554	3.0
83.04960	3.8
83.08591	8.9
84.04486	2.1
84.08128	7.2
85.02892	5.6
85.07653	12.9
86.09692	2.3
91.05470	6.5
95.04940	6.5
96.08163	2.4
97.02871	2.4
98.21416	3.0
99.04432	3.6
101.10770	2.6
105.06999	3.2
107.08533	2.8
109.02883	3.6
109.06505	5.7
109.10098	2.0
110.09677	3.6
111.04440	2.2
112.11224	74.9
117.06987	3.5
119.08574	3.6
121.96917	2.2
123.04444	8.0
123.05443	2.3
124.70995	2.2
126.09177	4.6
127.03893	4.1
128.10710	5.4
131.08546	2.8
134.06030	2.5
134.09688	2.3
135.08064	4.9
136.07578	5.0
138.12756	4.7
139.03879	53.6
145.06371	2.6
146.06023	2.3
147.08136	2.6
147.11751	2.7
148.07582	8.2
149.05911	2.8
151.03867	6.9
151.08678	5.1
153.05400	2.9
154.14633	3.1
155.15414	45.6
160.07565	4.5
162.09140	8.1
163.03897	13.4
169.04907	2.2
170.09698	2.4
174.05536	2.9
174.09122	7.9
175.07491	2.4
175.09868	3.6
176.10625	3.9
186.09137	6.6
188.07059	2.8
188.10727	6.6
190.08498	3.0
191.07069	3.2
194.08186	2.8
198.09157	3.2
200.06895	2.8
200.10690	5.2
202.08588	15.9
204.10164	4.2
214.08664	4.7
216.10219	9.2
218.11765	8.1
226.08664	2.9
228.10269	8.0
230.11754	17.5
234.11151	2.7
240.10248	4.5
244.09752	6.6
246.11292	5.1
246.14899	4.1
256.13309	10.8
258.11249	3.9
260.12772	7.6
268.13336	2.3
272.12802	25.1
273.16010	5.1
274.14276	14.4
277.15515	4.6
280.09650	2.0
284.12735	7.4
289.15485	11.6
301.15530	9.2
302.13748	11.3
308.09186	2.4
311.09070	7.2
319.16431	4.4
324.12106	12.8
336.12436	5.7
337.10590	3.2
341.15012	4.8
345.86560	2.4
348.12338	4.0
352.11655	12.2
356.14908	7.8
364.11551	2.5
366.13177	3.3
369.14462	2.8
376.15466	6.3
378.13522	2.3
382.12680	3.8
384.14291	22.9
394.16522	22.8
396.14325	5.4
402.15561	6.6
404.14999	6.3
411.19119	31.4
412.17715	7.3
414.15488	6.9
421.17563	5.1
422.15958	37.5
429.20236	10.9
439.18619	100.0
440.16986	47.6
457.19730	74.3
458.20349	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	457.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84448	2.3
55.01851	2.4
55.05494	6.2
56.05020	7.8
58.06321	2.7
58.06594	49.6
67.05491	3.9
68.99783	2.8
69.03416	8.2
70.06579	11.4
71.04976	3.9
71.68326	3.1
75.09242	4.1
81.03463	2.3
81.07029	2.3
82.06595	3.3
83.04975	5.3
83.08603	9.5
84.08133	9.7
85.02911	6.7
85.07664	13.6
86.09670	2.4
91.05470	8.7
95.04942	5.7
96.08101	5.9
97.02880	4.8
98.97601	2.5
101.07111	4.5
101.10764	4.3
105.07021	4.4
105.55814	2.0
106.63308	2.4
107.04927	3.1
108.04491	2.2
109.02865	2.5
109.06499	5.8
110.09648	3.7
111.04426	4.1
112.10477	5.5
112.11231	100.0
115.20166	2.8
117.07091	2.2
119.04866	2.2
123.04430	14.9
124.07584	3.5
127.03873	4.0
128.10710	4.4
134.06024	3.5
135.08044	6.7
136.07564	5.0
137.02397	3.8
139.03889	55.0
146.06036	2.6
147.04398	4.8
147.08034	2.4
148.07550	6.8
149.08391	2.7
151.03870	12.5
154.14609	16.7
155.15411	69.3
159.08038	2.7
160.07576	5.5
162.09116	6.7
163.03877	24.1
164.07051	4.8
171.07832	2.7
174.09151	9.4
175.03772	2.8
175.09872	5.6
179.03419	3.6
179.07106	3.5
180.06494	2.9
186.09126	5.3
188.10698	4.1
189.05511	4.2
189.09181	4.1
190.08597	3.9
191.03569	2.9
194.08156	8.9
194.11905	2.3
198.09164	3.8
200.10712	3.1
201.09235	2.9
202.08588	16.3
202.12340	2.7
203.03485	2.3
204.10239	5.6
214.08623	4.4
215.09360	2.8
216.10229	6.1
218.11816	4.3
228.10216	6.5
229.04901	4.1
230.11804	7.6
231.11064	2.8
232.09612	3.0
234.11295	2.7
244.09653	5.3
244.13420	4.4
245.04387	3.6
246.11244	3.3
256.13229	4.8
260.12839	8.1
261.15927	4.0
264.12283	3.3
272.12851	27.5
273.15930	2.7
274.14392	13.1
276.12344	3.2
277.07224	2.6
277.15488	4.9
284.09320	3.2
284.12778	5.1
289.15482	9.7
301.15451	8.1
302.13828	12.1
305.14938	2.2
306.07224	2.3
311.09018	4.4
319.16583	12.0
324.12372	8.1
337.10577	4.0
341.14899	2.9
352.11746	15.0
356.14722	3.4
365.09967	3.7
367.12683	2.8
369.14246	2.9
371.11276	2.9
376.15579	5.8
383.11526	3.1
384.14276	14.3
394.16608	11.4
395.13623	2.8
396.14639	4.8
402.15366	6.0
404.15143	3.2
411.19244	12.5
412.17709	4.4
414.15591	18.9
421.17542	7.7
422.15933	29.7
429.20096	11.8
439.12350	4.7
439.18546	69.3
440.17010	70.3
441.17059	2.9
457.13748	3.3
457.19638	84.1
458.20038	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	457.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.1
56.28618	1.7
57.12750	1.8
67.05495	5.9
69.03405	8.3
69.07040	5.8
70.06576	3.2
78.23423	1.7
79.05473	6.7
81.03421	4.7
81.07025	8.2
83.04972	5.2
85.02878	4.6
85.06551	2.8
87.00793	1.8
91.05462	7.2
91.68240	1.8
93.07022	5.3
95.04958	1.9
95.08571	4.2
105.07003	8.0
107.04916	4.4
107.08571	18.4
109.02856	2.3
109.06493	6.2
109.10155	6.1
116.98573	1.9
117.06976	4.0
119.08560	5.5
121.06483	3.2
121.10145	13.2
122.07275	4.6
123.08015	4.5
127.03863	3.2
131.08534	4.6
133.10109	100.0
134.10580	1.9
135.08020	9.4
135.11668	2.1
137.08594	3.4
137.09599	53.3
143.08554	2.1
145.10089	2.3
149.09619	2.5
149.13197	10.1
159.11519	2.1
161.09518	1.8
163.14781	2.4
165.05434	1.9
165.09088	5.4
173.13222	8.3
177.05434	2.0
191.14290	52.5
209.15347	5.4
229.39548	2.3
260.53320	2.1
343.50259	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	3.9
57.03440	2.8
67.05483	5.7
67.80413	2.6
69.03404	10.7
69.07056	6.7
70.06583	5.3
70.95847	8.5
76.11854	2.8
79.05473	8.9
81.03393	5.0
81.07030	11.6
83.04930	3.7
84.08161	4.9
85.02896	7.6
86.09702	4.3
91.05464	11.6
93.07002	8.3
94.22254	2.9
95.04962	4.3
95.08589	5.4
97.02917	3.2
102.94303	3.6
103.70014	3.1
105.07019	12.4
106.35767	3.2
107.04961	5.1
107.08582	20.9
107.17266	3.0
109.06519	5.4
109.10122	7.7
112.18110	3.3
112.81387	2.9
119.08543	6.1
121.06475	4.8
121.10122	17.3
123.08028	5.3
127.03873	4.4
131.08525	3.2
133.10107	100.0
135.08015	6.9
137.09593	61.2
147.11679	3.8
149.09517	3.9
149.13197	10.0
157.10075	6.1
163.14720	3.5
165.09114	8.5
171.11531	3.8
173.13222	8.6
191.14284	48.4
218.11652	3.1
365.38495	3.2
457.14935	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	457.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.5
54.07802	2.9
55.01877	4.2
55.05499	10.4
57.03427	6.4
57.07057	3.4
61.02916	4.0
67.05502	9.2
68.99785	7.4
69.03420	44.8
69.07045	4.9
70.06583	14.0
71.04990	10.8
71.70279	5.5
72.08118	4.1
73.02879	3.8
79.05470	9.4
81.03407	55.4
81.07037	27.8
83.04964	15.5
83.08595	8.3
84.08121	4.9
85.02889	53.0
86.09709	6.8
87.00826	14.6
87.73309	3.5
91.05468	11.4
93.07032	14.9
95.04961	49.0
95.08591	8.7
96.04552	2.7
97.02879	13.8
97.06520	17.9
99.04449	32.3
105.01871	5.9
105.07037	10.9
107.08567	23.2
109.02857	40.6
109.06496	16.4
109.10137	19.0
111.08092	5.4
115.24837	2.9
119.08551	7.1
121.10134	13.9
122.09652	11.7
123.04409	4.4
123.08061	8.7
123.11681	9.6
124.03932	10.7
127.03899	100.0
131.08559	9.2
133.10143	14.9
135.08093	17.4
136.07574	12.7
137.06015	3.3
137.09612	5.8
139.03893	4.3
139.11148	4.3
140.25299	3.1
143.08678	2.8
145.04893	4.3
145.10129	4.5
147.02876	3.0
147.04433	4.8
147.11687	7.1
149.09612	4.0
149.13210	16.7
150.47859	2.9
151.07547	6.6
151.11168	11.4
152.06989	3.5
152.49927	2.8
153.09091	11.7
154.08601	4.8
159.02821	4.0
160.42404	3.2
165.13922	4.7
167.14296	4.6
169.12234	3.7
173.09413	2.9
173.13300	11.2
181.12247	8.9
191.14320	27.1
206.08156	5.4
207.13814	4.5
209.15329	42.7
213.03896	35.7
227.16338	5.0
231.04967	7.0
286.12717	3.4
295.15033	6.0
439.19601	13.7
455.77295	3.6
457.20575	26.0
458.18201	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	457.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	14.6
53.31256	3.4
55.01855	5.9
55.05481	7.3
57.03431	8.0
57.07034	3.1
58.03712	3.2
61.02920	3.3
65.48153	3.0
67.05484	9.1
68.99763	7.8
69.03416	40.2
69.07056	7.8
69.60353	30.0
70.06557	10.6
71.04977	13.2
77.71305	3.0
79.05481	10.2
81.03408	54.9
81.07038	27.2
83.04964	13.7
83.08601	6.5
84.08132	5.1
85.02880	51.6
86.09692	6.0
87.00828	15.5
88.21136	3.2
91.05463	11.8
93.07022	16.4
95.04946	54.3
95.08584	9.5
97.02865	13.7
97.06512	14.8
98.21424	7.2
99.04456	26.2
103.03947	3.0
105.06997	12.9
107.08561	23.3
109.02859	48.0
109.06488	12.3
109.10143	21.8
111.08074	7.0
113.86608	3.2
119.08572	8.6
119.58681	3.6
121.06479	4.8
121.10148	18.0
122.09656	4.7
123.08054	9.0
123.11717	4.8
125.09641	5.5
127.03894	100.0
131.08549	7.3
133.10109	15.3
135.07996	9.2
136.07524	7.8
137.09622	7.6
139.11125	3.6
145.04941	5.7
145.10103	7.7
147.11703	5.6
149.09555	5.8
149.10669	4.9
149.13278	10.1
151.07518	5.4
151.11136	10.1
153.09056	17.8
154.08565	3.4
159.02885	3.9
167.14287	7.7
171.11650	4.2
173.13222	6.3
181.12195	6.6
189.03943	4.6
189.12842	4.3
191.14272	21.4
207.13699	5.7
209.15344	43.4
211.28851	3.2
213.03906	30.2
227.16385	8.0
231.04988	7.2
267.70261	4.1
295.15030	6.4
296.84335	3.4
412.17386	3.8
439.19595	10.1
457.20251	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
55.01846	1.6
55.05481	1.3
57.03413	1.2
57.07053	0.8
61.02906	0.8
61.91816	0.6
63.13657	0.4
64.03663	0.4
65.04305	0.5
67.05474	1.4
68.99775	0.9
69.03416	10.3
69.07039	1.7
70.81963	0.8
70.82257	0.8
71.04961	1.3
71.49780	0.5
73.02901	1.7
79.05472	1.9
81.02946	0.8
81.03406	10.3
81.07023	2.3
83.04961	1.8
85.02888	14.7
85.06523	0.6
87.00805	5.4
91.03941	0.6
91.05451	1.3
93.07008	1.9
95.04949	2.7
95.08588	2.8
97.02871	5.1
97.06454	0.6
99.04465	2.8
99.08074	0.9
101.70821	0.6
105.01852	3.4
105.07010	2.8
107.04891	0.8
107.08570	6.4
109.02859	7.3
109.06491	3.9
109.10138	3.0
115.03927	0.6
119.08550	2.2
121.06475	1.6
121.10107	11.4
122.07239	2.0
123.08049	3.1
123.11684	1.3
124.03923	4.4
127.03885	8.6
129.01723	0.7
131.08548	1.3
133.10072	2.9
135.08035	2.6
137.09589	14.2
137.10649	0.8
137.13200	1.1
140.53926	0.5
145.04970	2.8
145.10120	0.8
147.02797	0.6
147.11662	1.8
149.09587	5.7
149.13216	5.4
151.11153	18.6
152.11505	0.6
158.10959	0.6
159.02896	3.5
159.10175	1.4
161.09573	0.8
163.14827	0.8
165.12730	30.4
173.13252	2.0
191.14270	6.7
193.15839	2.4
196.86392	0.5
198.07655	0.7
209.15327	100.0
210.15642	2.3
213.03865	0.5
231.04970	1.5
237.02931	0.6
282.13416	0.6
353.13736	0.7
389.14682	1.0
456.09866	0.6
457.23993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60463	1.8
55.05492	4.1
66.01830	2.2
67.05483	3.5
69.03426	10.5
69.07062	5.5
69.66458	8.2
69.66874	6.7
70.06586	2.6
70.50912	1.7
79.05489	10.0
81.03394	3.5
81.07039	9.3
83.04954	4.1
85.02895	7.0
86.09633	1.9
91.05470	5.8
93.07024	5.8
95.04980	4.2
95.08630	2.0
97.02866	3.5
105.01835	2.8
105.06986	10.3
107.04939	4.5
107.08574	20.8
109.02865	2.7
109.06512	7.3
109.10143	8.4
119.08548	3.6
121.06492	3.8
121.10162	11.0
122.07277	5.9
123.08074	3.0
127.03936	5.8
131.08554	3.3
133.10103	100.0
134.10437	3.0
135.08044	10.8
135.11700	3.3
137.09592	59.7
145.10086	3.1
147.11671	5.0
149.09639	3.1
149.13197	10.3
163.14879	2.1
165.09081	2.4
165.12709	4.1
173.13243	5.5
191.14261	56.0
209.15260	11.8
217.97331	2.1
255.43405	1.9
457.19888	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	459.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14162	2.8
50.71270	2.2
53.03923	3.9
55.01854	4.0
55.05495	8.3
57.03433	2.1
57.07064	3.8
57.71775	2.2
59.04987	2.6
67.05493	21.7
69.03419	22.5
69.07044	17.0
69.18763	2.1
70.06570	4.2
70.46894	4.4
70.47244	6.5
71.04980	8.7
71.16255	2.1
72.08128	4.7
73.02879	3.5
79.05474	7.2
81.03391	12.2
81.07042	22.6
83.04965	8.7
83.06088	7.6
83.08604	6.7
84.08160	2.4
85.02885	37.0
85.06525	8.0
87.00806	12.5
91.05487	11.1
93.07032	12.2
95.04948	3.7
95.08584	40.4
97.02843	10.8
97.06468	2.7
97.10162	2.7
99.04430	2.7
99.08091	4.9
105.01843	7.3
105.07011	13.2
107.04919	3.4
107.08569	24.1
109.02849	11.8
109.06496	9.7
109.10139	100.0
111.08064	6.2
113.09627	3.1
117.07013	2.4
119.08560	42.3
119.82975	2.0
120.08064	2.4
121.10130	14.4
123.08076	11.9
123.11668	8.1
125.09573	2.6
127.03902	22.6
129.07019	2.4
131.08492	4.3
133.06447	2.8
133.10081	24.1
135.11662	78.5
136.07559	4.3
137.05971	3.8
137.09584	17.4
143.08508	3.5
145.04933	9.1
145.10068	5.0
147.02907	2.5
147.08032	2.7
147.11682	3.4
149.13264	4.3
151.07509	5.2
151.11118	7.3
151.14732	10.7
153.12729	4.2
157.10194	4.2
159.02855	3.4
162.09085	4.3
163.11113	2.6
165.09093	7.6
175.14809	38.5
181.15918	2.7
182.91850	2.4
185.09586	3.1
191.10683	2.8
193.15851	60.5
205.12148	3.2
211.16882	63.0
231.05038	4.2
241.95776	2.2
257.11649	3.7
414.14444	5.6
414.19855	14.3
416.15942	2.6
442.14954	11.8
459.14908	4.6
460.13971	2.6
460.19907	13.7
460.25235	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	459.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
53.80873	2.1
55.01853	6.3
55.05503	12.1
56.05017	2.6
56.96553	2.5
57.07058	2.9
58.17410	2.2
61.02932	2.2
67.05502	24.8
69.03417	22.8
69.07050	16.5
70.06573	8.3
71.04977	8.4
71.23922	4.8
72.08127	4.4
73.02898	3.4
79.05476	9.5
81.03409	15.6
81.07044	25.7
83.04983	12.3
83.06091	11.1
83.08591	7.4
84.08125	2.8
85.02882	29.8
85.06538	5.2
87.00809	11.1
91.05466	9.1
93.07031	16.0
95.04944	6.7
95.08586	44.1
97.02880	12.3
97.06527	3.9
99.04407	10.1
99.08080	5.9
100.11237	3.0
105.01839	8.3
105.07011	16.1
107.04912	5.7
107.08566	35.1
109.02873	13.4
109.06498	8.9
109.10137	100.0
111.08061	4.6
117.06953	3.2
119.08562	44.9
121.06480	4.5
121.10141	18.5
123.04451	2.7
123.08051	16.2
123.11697	7.8
125.09611	3.9
127.03905	23.9
128.06207	3.1
129.06978	2.9
131.08531	4.6
133.10121	21.5
135.08026	2.3
135.11671	93.7
136.07579	4.1
136.12019	3.1
137.05948	3.0
137.09587	23.3
138.09157	3.7
139.03868	3.0
139.11156	3.0
141.06960	2.6
142.07718	2.8
143.08539	5.1
145.04953	7.4
145.06296	2.4
145.10081	4.4
147.11641	4.0
149.13211	7.2
151.07527	8.6
151.11182	7.9
151.14827	10.1
153.12625	2.2
155.08551	2.6
157.10124	3.6
159.02919	5.2
159.08080	4.0
159.11639	4.0
161.09506	3.0
162.09119	5.2
163.11195	2.8
165.09093	9.9
165.16273	2.6
167.03477	2.1
167.08499	5.3
175.14796	39.1
182.15331	2.2
185.09564	4.8
187.11084	2.1
191.10616	5.4
193.15842	68.5
195.08139	2.4
211.16891	75.8
231.04877	5.0
236.56627	2.4
249.11194	3.5
257.11670	5.5
298.14462	2.5
386.19702	4.9
414.15009	7.2
414.19681	20.9
442.14908	18.0
459.14279	4.7
459.27350	3.2
460.19449	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	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	8.5
57.03416	2.7
61.93937	1.5
67.05499	14.6
69.03422	10.1
69.07058	11.7
70.06560	2.6
70.80610	4.7
71.04988	5.7
79.05463	5.1
81.03401	8.7
81.07043	18.9
83.04968	8.1
83.06084	1.7
83.08620	5.7
85.02895	13.6
85.06522	7.9
87.00811	3.5
91.05460	4.5
93.07030	10.7
95.04952	2.2
95.08590	32.6
96.08942	1.8
97.02859	4.2
97.06540	1.9
99.04437	3.8
99.08075	4.0
105.01831	4.2
105.06975	8.1
107.08581	17.5
109.02899	5.6
109.06518	8.9
109.10139	94.2
111.08150	3.6
113.09625	2.5
119.08559	29.6
121.10138	13.3
123.08049	13.5
123.11683	9.4
125.09589	2.4
127.03910	7.4
133.10117	18.6
135.11668	86.9
136.12027	2.2
137.09595	15.4
139.11217	4.0
145.04938	2.6
149.13240	4.9
151.07516	2.6
151.11163	7.4
151.14771	14.2
153.12671	1.7
159.02882	2.1
161.09590	1.7
165.09108	4.3
165.16380	3.9
171.72876	2.2
175.14806	35.6
193.15851	53.0
211.16899	100.0
212.17163	4.0
324.88794	1.8
459.17331	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	459.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.2
55.01855	15.6
55.05505	70.1
57.03413	7.9
65.33524	4.3
67.05492	54.1
69.03416	7.1
69.07044	15.6
71.69764	8.0
72.84121	5.0
79.05489	62.1
81.03414	12.2
81.07044	41.5
83.04962	5.3
83.08607	29.0
91.05457	51.6
93.07034	32.0
95.04940	8.7
95.08589	20.6
97.10171	48.6
103.05464	27.2
105.07017	38.4
107.04945	20.3
107.08588	25.4
109.10132	11.0
115.05441	13.7
116.06267	5.1
117.06992	62.7
119.08571	27.8
121.06506	11.2
121.10050	6.5
123.08016	6.3
125.09605	41.5
128.06152	4.6
129.06987	29.5
131.04913	4.6
131.08548	40.7
133.06483	12.1
133.10136	8.7
135.08060	13.6
137.15425	4.6
141.06998	14.5
143.08539	21.4
145.06480	19.4
145.10114	17.3
153.09114	8.6
155.08556	20.0
156.09024	4.6
157.06456	5.3
157.10117	10.6
159.08006	5.4
159.11694	9.7
165.09099	10.8
167.08623	8.5
169.10080	13.0
171.08011	6.0
171.11568	7.6
173.13246	6.8
187.14842	16.4
189.11169	38.0
197.13255	28.7
207.73834	4.5
213.12701	8.8
214.48256	5.2
215.14305	100.0
227.12688	43.0
227.14404	4.0
237.12822	7.1
241.09216	4.4
241.12112	6.5
339.23026	7.1
349.21613	18.8
355.97995	4.5
367.22604	43.5
385.23618	28.1
403.24945	9.1
419.79135	4.5
441.26382	51.2
459.27249	95.0
460.27530	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	459.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01859	9.5
55.05502	61.8
57.03413	5.8
65.03906	3.1
67.05492	53.6
69.03400	4.4
69.07051	16.4
70.11168	8.7
71.04974	3.5
79.05476	54.3
81.03395	6.2
81.07039	38.2
83.04967	6.5
83.08601	25.6
85.06544	3.0
91.05464	42.7
93.07027	24.0
95.04971	10.7
95.08591	13.1
97.06519	2.3
97.09497	3.1
97.10146	58.1
98.10474	2.2
101.64932	1.6
103.05451	24.4
105.07009	37.0
107.04947	7.0
107.08569	28.5
109.06516	4.0
109.10126	16.1
111.08064	3.2
115.05428	11.0
116.06263	2.7
117.06995	63.9
119.08561	21.1
121.06478	7.0
121.10116	6.9
123.08057	4.2
125.09608	43.3
128.06216	7.5
129.06975	31.5
131.04907	7.6
131.07549	2.3
131.08540	43.4
133.06454	11.6
133.10088	9.9
135.08060	10.9
137.09608	2.2
141.06975	12.3
142.07747	3.8
143.04912	2.8
143.08533	20.2
143.10638	3.0
145.06441	17.9
145.10046	13.7
147.08051	5.0
149.09624	6.1
153.06970	3.3
153.09100	4.7
154.07736	3.3
155.08521	17.6
157.06464	7.1
157.10136	7.3
159.08035	7.5
159.11705	5.8
161.09615	3.6
161.13196	1.8
165.06998	2.8
165.09134	2.6
167.08562	8.1
168.09055	2.3
169.10110	13.0
171.07944	4.5
171.10287	3.3
171.11671	9.9
173.11775	2.9
173.13232	4.1
175.11110	2.1
179.08548	2.7
180.09195	1.7
181.10088	5.2
182.10820	2.0
183.11668	3.9
185.09554	2.9
185.13199	6.7
187.11142	2.1
187.14772	23.7
189.11172	30.2
193.10078	3.2
195.11655	7.6
197.13213	20.4
199.11183	4.1
201.12494	1.8
207.11772	2.6
209.13246	3.6
211.11241	1.9
213.12737	7.1
215.14276	100.0
216.14627	6.7
223.11209	2.4
223.14888	2.8
227.12704	37.7
227.14745	2.5
231.13728	2.6
233.15211	3.1
237.12709	2.3
241.12178	4.2
243.25751	1.8
245.13750	2.9
255.13759	3.5
259.13187	3.6
269.15320	4.2
271.16879	7.5
283.52963	1.8
321.22241	3.2
339.23047	4.2
349.21405	13.9
367.22610	42.5
368.23068	3.1
385.23624	24.7
403.24692	5.7
423.25266	3.6
441.26257	73.3
442.26382	2.6
459.27319	87.8
460.27515	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	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.01865	8.0
55.05503	24.3
55.60003	1.1
55.88667	1.0
57.03421	6.4
59.04976	1.2
59.90034	1.0
60.81078	1.1
63.43456	1.3
64.77389	1.1
65.03915	2.8
67.05492	35.4
69.03415	5.0
69.07066	9.5
69.42422	1.2
70.95373	3.1
71.04961	4.1
79.05480	38.4
80.05814	1.1
81.03405	96.1
81.07042	29.0
82.03735	1.1
83.04961	5.7
83.08605	25.9
85.02890	1.9
85.06534	3.1
91.04922	2.2
91.05470	37.8
93.07025	21.2
95.04953	37.9
95.08588	19.0
97.02905	1.6
97.06503	3.3
97.10152	15.9
99.08060	1.2
105.06332	2.0
105.07018	28.3
107.04932	17.6
107.08577	15.4
109.06514	6.2
109.10129	10.9
111.04428	3.9
111.08070	10.5
113.20633	1.3
115.05434	3.9
117.06973	10.5
119.04928	2.8
119.08555	19.4
121.02818	1.1
121.06477	13.8
121.10101	9.1
123.04402	3.3
123.08056	5.8
123.11681	1.9
125.05981	1.4
125.09608	11.0
128.06235	2.7
129.06984	20.1
131.04892	5.5
131.08537	17.6
133.06459	9.6
133.10109	11.7
135.04364	1.2
135.08037	6.0
135.11687	1.9
135.41341	1.1
137.05962	1.8
137.09587	7.9
141.06960	3.6
142.07753	5.1
143.08562	7.9
144.05708	3.1
145.06456	25.5
145.10107	6.1
147.04459	1.5
147.08018	7.4
147.11682	12.8
149.05939	1.8
149.09613	9.0
151.07513	2.5
151.11234	1.2
153.07027	1.7
153.09090	2.3
155.08519	4.0
155.49864	1.1
157.06429	5.5
157.10127	14.7
159.08035	6.8
159.11649	3.4
161.05983	3.7
161.09583	3.7
162.08868	1.1
163.11147	3.3
165.09090	24.2
165.12755	2.1
167.08563	2.7
169.06499	2.8
169.10123	4.1
171.08011	5.7
171.11674	3.2
173.09557	3.0
175.11176	16.4
177.09103	1.7
181.10054	3.4
183.08087	3.6
183.11705	1.8
185.09647	3.4
185.13205	3.1
187.11142	2.5
187.14743	3.0
189.11194	4.0
189.12730	2.3
191.10680	1.7
193.12210	62.2
194.12666	1.4
195.11667	5.5
195.13498	1.2
197.09538	1.5
197.13260	4.5
199.11147	3.4
201.12579	1.4
203.14438	1.7
205.12170	3.6
209.09607	1.2
209.13284	2.6
211.11156	3.0
213.12692	3.2
215.14250	4.1
223.11299	2.0
225.12695	1.9
227.14299	3.3
231.13741	2.0
233.15356	5.1
237.12738	4.1
239.14297	1.8
243.13786	2.1
249.14839	5.8
255.13779	8.3
257.15381	1.8
271.17068	1.6
273.14786	16.1
275.16537	1.6
281.15283	1.7
283.16962	2.2
287.16382	3.1
299.16577	1.8
306.67233	1.3
311.16263	1.6
331.20474	2.6
339.23123	5.6
345.51071	1.3
349.21628	17.4
357.24295	5.5
367.22644	41.5
368.22986	4.2
385.23706	36.2
386.23926	1.8
403.24637	8.9
405.24005	1.7
423.25055	1.9
441.25848	8.0
459.27325	100.0
460.27591	7.3
467.42450	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	460.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01865	7.6
55.05503	1.0
57.03421	3.8
61.02921	5.1
67.05501	1.4
67.53175	1.0
68.99774	4.3
69.03419	33.6
70.06576	1.3
70.24320	4.6
71.04974	4.3
73.02909	7.9
79.05476	3.2
80.05004	1.2
81.03406	34.0
83.01309	1.2
83.14326	1.1
85.02893	81.2
87.00821	30.3
91.03902	1.8
91.05465	1.8
92.84679	1.0
95.04936	2.1
97.02876	31.3
98.06049	1.5
99.04455	14.2
103.03912	0.9
105.01849	22.9
105.07020	3.9
107.04942	38.5
107.05672	2.3
107.08578	2.0
108.04465	8.8
109.02866	31.1
109.10128	1.2
111.68356	0.9
115.03944	1.5
115.05463	2.1
117.01818	5.0
123.02956	1.0
126.05513	3.3
127.03896	56.1
128.04230	1.5
129.01817	4.6
135.08032	11.3
145.04947	23.6
145.07504	1.2
147.02892	2.9
147.07999	1.0
155.93326	1.0
159.02858	20.4
159.08046	2.0
163.07518	41.7
165.09071	3.9
167.07028	14.9
171.02879	1.1
175.07542	1.6
177.03889	1.1
180.07729	2.7
187.07460	1.7
189.03891	3.1
195.10138	100.0
205.08492	1.4
207.10127	4.1
213.03931	1.4
219.10138	2.2
230.06563	3.0
231.04948	9.4
235.09686	1.5
237.11140	1.7
248.07611	6.1
261.11182	1.0
275.12704	1.0
285.11374	1.7
303.12411	1.3
478.94083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73127	1.0
53.03918	1.3
54.19329	1.1
55.01849	2.1
55.05497	6.3
56.05013	1.2
56.96539	1.2
57.03420	1.4
60.01660	0.9
60.39676	0.9
67.05513	1.4
69.03414	6.7
69.07050	1.6
70.06588	6.6
71.04974	1.2
71.13181	2.5
72.08141	1.8
79.05478	3.7
79.62830	1.0
80.05009	4.6
81.03389	4.5
81.07034	3.8
82.06569	2.7
83.04964	4.8
84.04467	1.3
84.08131	3.8
85.02892	12.8
86.09682	1.8
87.04456	1.1
91.05459	7.1
93.07007	3.3
95.08574	1.4
96.08131	1.1
97.02872	4.0
98.06008	1.6
98.07156	2.9
99.04435	2.4
100.07592	8.3
101.06008	4.2
105.07018	3.4
107.04929	2.8
107.08612	1.4
108.04455	11.7
109.02893	2.4
109.06548	1.7
109.10122	1.5
110.05988	1.4
110.07118	1.2
110.09758	1.2
111.97308	0.9
112.07584	2.8
117.07009	3.6
119.08551	1.9
120.08070	3.0
122.06001	3.5
122.09634	2.6
123.04425	2.0
123.05312	1.1
124.03919	1.2
124.07559	2.5
127.03890	3.1
129.06969	3.1
131.08536	4.0
133.10121	1.7
134.06001	1.5
134.09579	2.0
135.04419	1.8
136.07561	3.9
137.05962	1.3
138.09082	4.9
141.06990	2.2
143.08533	4.7
145.04967	1.5
145.10077	2.4
148.07536	4.1
150.09123	2.7
152.07045	2.1
154.08664	1.4
155.08516	1.8
157.10100	4.9
159.07953	1.7
159.11638	1.8
161.09618	1.7
162.09120	19.0
163.03851	9.8
163.09904	2.9
164.07011	1.8
164.10677	3.6
166.08617	10.1
167.08510	9.2
169.10071	3.1
171.06401	1.1
171.07994	1.7
178.08615	6.1
180.10185	1.7
181.10059	2.5
183.07930	1.2
185.09624	8.8
187.11174	2.3
190.08606	29.9
192.10141	3.9
194.11740	1.1
195.11734	3.0
197.13469	1.2
200.12767	3.2
203.10686	2.0
205.10170	1.6
207.11642	1.9
208.09665	19.2
218.11748	1.3
223.11122	5.9
225.12607	1.8
231.10222	1.5
249.11247	3.4
251.10562	1.6
253.12535	1.1
269.11667	4.0
287.05472	5.3
287.12741	1.5
296.25983	1.4
311.42599	1.0
314.26797	2.1
315.12204	15.5
322.17899	1.9
332.16455	2.8
345.04510	6.9
346.04755	2.3
350.17352	5.1
352.19092	2.6
362.18143	2.1
363.05640	3.5
368.18500	17.6
378.16922	3.9
386.19659	2.3
396.17996	38.5
397.18442	1.4
414.19083	32.0
432.20267	2.0
442.18542	100.0
443.18817	3.7
460.19574	86.1
460.32611	4.6
461.19803	3.4
471.07388	2.5
473.27069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1959
Annotation	5-Methyl-tetrahydrofolate
Peak:m/z	Relative Intensity
51.04663	1.1
51.27185	0.9
51.35560	0.9
53.03934	1.4
53.43232	0.9
53.53457	1.2
55.01855	1.4
55.05490	4.0
56.05012	2.7
64.10008	1.0
67.05486	2.3
69.03410	3.6
69.07064	1.6
70.06576	3.9
71.69025	1.7
72.08145	2.3
79.05482	2.1
80.04989	1.1
81.03384	1.7
81.07048	2.3
82.06573	3.6
83.04963	1.4
83.06081	1.1
84.04508	1.3
84.08118	6.4
85.02884	3.3
86.09670	1.8
89.03906	1.1
91.05452	5.2
93.07024	3.4
95.04960	2.7
95.08587	2.8
96.04481	1.8
98.07175	1.8
100.07603	10.1
105.07013	5.6
107.04914	6.7
107.08581	1.6
109.02892	1.3
109.06502	1.8
110.06014	2.7
110.09675	2.0
112.07591	5.3
117.06990	3.5
119.04916	1.8
119.08569	3.1
120.08092	2.3
121.06493	1.7
122.09697	1.0
123.04491	1.1
123.11633	1.2
124.03924	1.3
129.07014	1.9
131.05075	0.9
131.08540	4.0
133.10118	1.6
134.09669	1.2
135.10408	1.0
136.07591	4.8
137.05965	1.1
137.09605	1.1
138.09106	9.7
141.06975	2.9
142.07698	1.1
143.08556	5.8
145.10094	3.3
148.07576	1.3
149.06015	1.0
150.09131	1.8
154.07677	1.8
155.08524	2.2
157.10086	6.2
159.08081	2.2
159.11678	2.3
161.09584	1.4
162.09152	4.0
163.03868	5.4
163.09903	3.4
164.10706	2.1
166.08603	6.5
166.12248	3.2
167.08536	12.1
169.10085	4.7
171.11543	1.3
176.85588	1.0
177.05513	1.2
178.08640	4.3
179.08621	1.1
181.10083	1.8
183.11720	1.4
185.09610	13.2
185.13016	1.1
187.11218	3.8
190.08620	5.8
192.10184	2.9
195.11670	2.0
197.13242	5.1
199.14735	1.4
200.12875	4.7
203.10654	2.9
207.11803	2.7
209.09480	1.9
212.12772	5.3
213.09109	1.6
223.11163	2.5
225.12704	4.0
231.10100	2.9
233.09615	1.1
235.11058	1.4
241.12315	1.6
249.11255	4.5
251.10681	2.9
253.12247	1.2
259.13434	1.1
269.11826	1.5
271.13309	3.4
289.14282	12.9
297.11255	2.2
317.13834	16.4
326.17371	1.2
331.11636	1.3
332.16602	1.3
341.10187	1.2
342.20721	3.4
343.11694	3.7
350.17633	2.1
362.18228	4.0
368.18649	4.4
378.16937	4.4
386.19583	8.3
389.06116	1.0
393.86496	1.0
396.17941	10.0
398.15964	4.6
414.19049	72.6
415.19418	2.9
432.20206	9.6
442.18588	60.2
460.19635	100.0
461.14230	1.9
461.20114	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44130	2.3
55.45775	2.2
56.96558	8.9
58.09079	1.9
66.24844	2.0
66.82750	2.0
69.37164	23.5
85.02895	3.1
87.86525	1.9
94.06609	3.7
98.97580	8.5
112.99116	56.9
116.98655	2.8
119.13413	2.0
119.76402	1.9
121.83611	1.8
123.04407	3.4
127.03921	2.2
128.98575	2.8
131.00150	100.0
138.05458	2.4
139.03909	4.8
143.00172	2.7
146.99597	2.7
149.01199	46.2
154.01703	2.5
163.03888	12.6
167.02277	5.4
175.02756	13.1
189.00687	2.8
193.03806	38.5
194.01266	7.3
205.03925	2.4
211.04831	30.7
212.02312	4.0
219.05397	6.5
221.03340	6.8
237.06390	6.0
239.04272	4.1
247.04793	3.6
247.27916	2.0
249.06380	15.7
250.03726	3.4
265.05896	54.9
266.03503	3.1
267.07407	3.9
269.03943	2.2
277.05905	2.3
283.06970	74.4
286.65497	2.2
298.22473	2.0
306.08600	5.7
307.06979	22.3
311.10004	3.3
325.07990	97.6
326.08414	2.4
343.08890	3.2
461.08926	2.1
461.18024	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	461.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.5
55.01861	18.2
55.05239	1.9
55.05500	27.7
56.05012	3.0
57.03417	10.0
57.07045	3.9
59.04988	3.0
59.06116	39.0
60.04512	10.7
61.02902	6.3
62.56747	2.1
67.05499	10.6
68.99765	5.8
69.03418	68.5
69.06686	3.2
69.07052	60.1
69.58587	6.1
69.59009	9.1
70.06583	17.5
71.01330	2.0
71.04990	14.8
73.02899	11.8
79.05460	7.4
79.59870	1.8
81.02944	3.6
81.03405	63.5
81.06602	3.2
81.07036	35.3
83.01326	3.0
83.04970	16.6
83.08614	9.3
84.04469	2.7
84.08102	6.8
84.64953	1.6
85.02889	100.0
85.06520	21.8
86.09679	2.4
87.00815	36.7
88.04018	1.9
91.03961	3.3
91.05453	6.7
93.07038	15.6
94.62686	1.5
95.04934	2.7
95.08590	50.3
97.02869	38.0
97.06506	9.7
97.10151	16.0
99.04434	24.7
99.07438	2.1
99.08075	40.0
101.07124	77.2
102.05522	6.8
103.03932	2.0
105.01842	26.6
105.06990	5.6
107.08571	30.2
109.02860	58.4
109.10143	16.4
111.08051	4.3
111.11713	11.5
113.09629	20.2
117.01805	6.2
119.08510	3.2
121.10114	35.3
123.11701	11.6
125.09593	9.6
127.03891	98.8
127.11121	2.1
129.01819	9.6
129.10266	4.9
131.08580	2.2
133.10081	2.2
135.11688	18.3
136.07542	2.2
137.13240	15.7
139.11162	11.1
141.12660	2.0
145.04936	30.0
145.10075	2.3
147.02872	5.1
149.13251	5.1
151.07463	3.1
151.14790	5.4
153.12733	22.4
159.02881	31.1
163.11154	2.3
177.12898	2.5
177.16362	72.7
178.16594	2.5
189.03958	2.3
193.15642	2.1
195.17415	87.8
213.03934	2.8
213.18466	52.4
231.04936	21.1
237.18494	2.1
249.05997	3.1
280.26447	2.4
281.26666	4.3
298.27213	4.1
299.11172	2.6
299.27643	7.6
303.19611	2.1
333.13019	2.2
425.21307	2.3
461.23999	12.9
461.33081	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	461.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.1
55.01863	16.1
55.05235	1.4
55.05499	22.5
57.03429	11.5
57.07049	4.5
59.04979	4.1
61.02906	7.6
67.05490	9.4
68.99765	4.7
69.03417	63.4
69.06687	2.3
69.07055	46.3
69.62136	9.0
70.06567	5.0
70.07413	1.2
70.07854	1.1
70.64854	1.1
71.01321	2.4
71.04974	14.1
73.02905	10.1
77.38750	1.1
79.05479	5.5
81.03403	61.5
81.07044	25.3
83.01352	1.7
83.04972	12.9
83.08599	7.9
84.08121	2.0
85.02891	95.1
85.06522	18.2
87.00817	38.9
87.04433	2.3
91.03928	3.1
91.05453	3.3
93.07041	10.6
95.04958	2.4
95.08001	2.3
95.08592	38.7
95.53382	1.4
97.02880	32.6
97.06524	7.2
97.10150	12.2
99.04433	23.2
99.08077	29.2
101.02337	1.6
103.03902	1.6
105.01850	24.4
105.07000	3.9
107.04932	2.3
107.08579	23.4
109.02861	63.0
109.06511	2.4
109.10136	17.2
111.08067	4.0
111.11707	9.3
113.09620	8.8
115.03904	2.5
117.01831	5.5
119.08548	3.0
119.65223	1.1
121.06461	1.3
121.10126	26.1
123.04385	1.5
123.08086	1.4
123.11691	12.7
125.09576	9.4
127.03896	100.0
127.11128	1.4
129.01837	7.0
133.10112	2.1
135.11673	16.3
137.13226	15.4
139.11125	8.1
143.08542	1.2
144.79355	1.3
145.04933	31.7
147.02835	6.9
147.11722	1.9
149.13214	4.2
151.14783	4.9
153.12727	18.2
157.12230	1.9
159.02863	30.9
163.07520	1.4
171.02824	1.8
177.03809	2.3
177.16360	75.5
178.16725	1.4
183.02867	1.2
189.03876	2.2
195.17415	68.5
196.17726	1.8
213.03929	3.1
213.18463	50.4
214.18784	1.3
225.85608	1.1
231.04947	20.1
237.18317	1.5
258.03467	1.1
299.08847	1.4
429.16339	1.6
461.24173	7.0
461.32819	3.1
462.34680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.0
55.01863	9.7
55.05503	41.1
57.03418	13.9
58.01749	2.2
59.04961	3.4
65.03915	6.5
67.05492	80.4
69.03414	5.1
69.07053	26.9
69.19989	2.1
70.87802	4.3
71.04966	5.9
79.05020	4.1
79.05479	80.3
81.03411	10.9
81.07041	68.0
83.04954	8.8
83.08601	21.9
85.06511	4.9
90.10659	1.9
91.05463	96.7
93.07029	62.1
95.04946	20.5
95.08588	44.6
97.06498	10.0
97.10137	8.6
99.08076	2.9
103.05431	5.6
105.04525	2.4
105.07011	69.0
107.04929	19.3
107.08566	30.0
109.06533	13.1
109.10147	18.0
111.08078	6.3
115.05421	9.0
117.07001	49.2
119.04949	4.5
119.08562	39.1
121.06495	17.9
121.10094	16.7
123.08031	9.1
123.11682	2.8
125.09608	7.5
128.06181	12.9
129.06976	52.5
130.07793	3.5
131.04884	4.4
131.08545	64.1
133.06453	15.6
133.10097	24.4
135.08038	8.7
135.11659	6.2
137.05952	2.3
137.09607	7.3
141.06941	16.4
142.07753	5.1
143.08524	43.2
144.09308	2.8
145.06454	24.8
145.10092	32.4
147.08011	17.1
147.11661	13.9
149.09589	10.0
149.13202	4.6
153.06946	3.0
154.07762	4.4
155.08534	28.5
156.09294	5.1
157.06482	5.7
157.10124	24.3
159.08076	9.8
159.11658	14.7
160.88196	2.2
161.09590	6.3
161.13232	5.3
163.11153	6.2
165.06970	3.0
165.12743	2.4
167.08528	12.6
169.10101	19.1
171.08060	4.0
171.11668	14.9
173.09621	5.0
173.13258	5.8
175.07500	2.6
175.11137	6.6
175.14734	2.8
177.12717	4.6
179.08588	5.5
180.09395	2.8
181.10036	13.8
182.10867	2.5
183.08066	2.6
183.11653	13.9
185.09673	4.4
185.13229	11.6
187.11072	5.1
187.14871	2.6
189.11186	4.9
189.12677	5.1
193.10129	5.2
193.12143	3.2
195.11708	10.3
195.13326	2.1
197.09683	2.5
197.13287	8.2
199.11162	3.5
199.14755	5.5
201.12715	6.1
203.14270	3.1
206.27122	2.4
207.11674	6.5
209.13277	6.8
211.11194	2.6
211.14844	5.1
213.12746	8.0
213.16286	2.6
215.14325	7.1
217.15921	4.8
221.13210	6.9
223.14874	5.6
225.12767	4.4
225.16327	3.1
225.88724	2.2
231.17360	3.7
233.15450	3.5
235.14825	2.7
237.16408	3.7
239.14371	5.1
241.16061	2.6
243.13716	2.9
245.15396	4.0
247.16951	2.8
253.15863	3.4
257.15372	7.7
259.16797	3.2
271.16931	4.9
273.18481	3.4
275.16290	3.0
285.18338	3.0
305.22577	2.1
323.23688	8.2
333.21994	15.0
341.24716	17.6
351.23135	46.1
359.25827	3.9
369.24188	86.7
387.25204	41.9
388.25754	2.7
405.26465	3.0
407.26077	4.0
415.28333	3.5
425.18185	2.3
425.26581	4.5
443.27814	85.3
444.28146	3.7
461.28867	100.0
462.29263	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.1
55.01849	6.1
55.05273	2.2
55.05506	29.4
57.03439	9.5
57.07076	2.1
65.03926	4.8
67.05496	59.6
69.03400	5.4
69.07055	18.1
71.04974	5.6
71.25352	2.0
71.25664	2.7
79.05485	54.3
81.03404	44.1
81.07046	61.0
83.04960	11.4
83.08611	23.5
85.06523	5.2
89.97547	2.1
91.04923	3.6
91.05467	56.8
93.07031	54.4
95.04960	35.4
95.08588	29.8
97.02876	2.3
97.06512	9.9
97.10164	18.7
105.07015	41.1
107.04933	16.8
107.08579	21.4
109.06487	5.2
109.10153	9.3
111.08085	5.4
115.05464	4.7
117.07001	23.6
119.04942	3.4
119.08566	20.0
121.06480	18.4
121.10127	13.3
123.08039	6.3
125.09622	7.0
128.06218	4.6
129.06998	20.2
131.04890	3.7
131.08545	33.4
133.06458	9.9
133.10118	15.5
135.08038	7.4
135.11673	7.5
141.06956	5.0
142.07774	3.8
143.08554	13.5
145.06477	16.2
145.10127	12.2
147.08000	8.9
147.11690	6.4
149.09602	6.8
149.13246	15.1
151.11153	2.2
155.08560	7.7
157.06480	3.6
157.10124	14.7
159.08105	4.0
159.11702	11.1
161.09625	4.6
163.11168	3.9
167.08582	3.2
169.10094	5.1
171.08064	4.7
171.11655	4.2
173.09622	3.0
173.13200	2.8
175.11192	9.3
177.12752	7.1
181.10075	3.7
183.11737	4.3
185.13213	5.3
187.11111	2.6
189.11195	6.5
189.16304	2.6
193.10472	2.5
193.12216	13.5
195.11768	2.3
195.13788	4.7
197.13342	4.1
199.11220	2.6
199.14847	3.8
201.12671	3.3
205.12228	2.1
209.13240	2.5
213.12888	2.7
215.14445	2.7
217.15887	10.0
219.13786	2.4
221.13142	2.0
227.12625	3.7
231.13876	3.0
232.60498	1.9
239.14212	2.7
249.14847	3.7
257.15439	5.7
267.15897	2.5
275.16309	2.0
323.23462	4.2
333.22028	4.5
341.24774	6.1
343.22842	2.9
351.23071	18.0
369.24207	32.4
369.28415	3.4
387.25296	16.2
391.20969	1.9
405.26263	2.9
407.25662	3.0
417.26074	5.6
425.26779	3.4
443.27890	34.9
461.28912	100.0
462.29214	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	461.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.7
55.01857	5.4
55.05277	1.8
55.05505	24.1
57.03411	6.2
57.07071	1.8
65.03922	2.3
66.31078	1.6
67.05492	55.0
69.03402	4.0
69.07050	18.7
70.06551	2.0
71.04984	4.0
79.05481	43.4
80.32772	1.3
81.03402	38.6
81.07043	48.9
81.71061	1.3
83.04951	8.1
83.08602	19.5
85.02862	2.4
85.06537	2.7
86.38902	1.5
91.05466	44.5
93.07027	42.4
95.04950	29.3
95.08592	20.3
97.06514	8.2
97.10148	8.0
99.08076	1.9
105.03374	2.3
105.07015	32.0
107.04931	13.4
107.08574	22.2
108.80430	1.7
109.06501	6.7
109.10126	10.1
111.04482	1.4
111.08057	7.1
115.05438	3.0
117.06989	14.1
119.04905	2.2
119.08550	24.3
121.06474	12.4
121.10127	15.4
123.08035	3.2
123.11707	2.7
125.09599	5.9
128.06198	3.2
129.06973	16.9
131.04871	3.1
131.08539	27.3
133.06490	7.3
133.10133	11.7
135.08076	6.7
135.11681	6.5
137.09575	4.0
141.06972	4.1
142.07771	2.0
143.08540	14.1
145.06441	10.9
145.10086	9.0
147.08035	9.8
147.11674	6.3
149.09608	5.1
149.13249	10.4
151.11153	1.8
154.07750	1.6
155.08562	6.7
157.06441	1.7
157.10078	13.2
159.08054	4.8
159.11665	10.0
161.09605	2.4
163.11185	3.1
167.08545	2.5
169.10136	4.2
171.08029	2.8
171.11639	4.7
173.13335	3.4
175.11166	4.7
177.12694	4.2
180.36380	1.3
181.10088	4.0
183.11665	4.7
185.09621	1.6
185.13226	3.3
187.11137	3.1
187.14803	1.8
189.11208	4.1
189.12746	1.8
190.99310	1.5
193.12221	14.4
195.11787	3.2
195.13664	3.1
197.13269	2.7
199.00240	1.5
199.14780	2.2
201.12746	3.0
205.12138	2.5
209.13211	3.5
213.12782	3.1
215.14290	3.0
217.15836	6.3
221.13287	2.4
225.12804	3.0
227.12779	3.8
229.15804	1.6
233.15315	2.6
239.14296	2.2
243.13667	1.9
249.14912	3.7
257.15445	3.7
273.14874	1.5
275.16440	1.9
296.68564	1.6
301.59760	1.4
323.23557	2.1
333.22192	2.7
341.24661	4.1
343.22534	3.7
351.23151	14.5
369.24231	28.6
387.25281	18.4
389.24500	1.7
405.26126	2.6
415.28207	2.1
417.26340	6.1
443.27774	30.0
461.28925	100.0
462.29102	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.0
51.63154	2.6
51.98554	2.2
51.98896	2.2
53.03923	8.9
55.01857	9.0
55.05502	41.1
57.03429	15.7
63.28711	2.2
65.03922	7.4
67.05136	5.3
67.05492	92.7
69.03420	4.3
69.07055	33.2
69.44986	6.6
69.45390	19.6
71.01359	2.6
71.04966	7.8
78.64033	2.3
79.05479	86.2
81.03405	15.3
81.07043	81.4
83.04957	11.1
83.08593	20.8
85.06498	4.2
91.05463	100.0
93.07029	80.4
95.04948	31.6
95.08596	42.9
97.06506	11.9
97.10154	8.6
98.20883	10.2
99.08075	3.7
103.05441	3.7
105.07009	74.1
107.04923	17.6
107.08583	35.5
109.06491	10.9
109.10118	21.7
111.08061	6.0
115.05447	8.0
117.07002	54.0
117.65395	3.1
119.04890	4.1
119.08562	45.8
121.06466	12.4
121.10145	21.1
123.04365	2.6
123.08041	7.0
125.09615	11.4
128.06161	17.7
129.06987	53.7
131.08548	67.4
133.06442	13.9
133.10110	22.2
135.08014	9.1
135.11649	16.9
137.09605	5.9
141.06949	24.1
142.07784	6.4
143.08543	45.6
145.06508	14.6
145.10103	31.4
147.08031	12.5
147.11674	14.5
149.09601	9.7
149.13222	5.6
153.06972	4.9
154.07689	3.0
155.08530	33.1
157.06500	5.9
157.10109	19.8
159.08029	10.6
159.11673	19.8
161.09613	8.6
161.13222	5.8
163.11163	5.2
165.07130	2.9
167.08525	12.4
169.10100	17.7
171.08055	6.1
171.11674	21.1
173.09636	4.3
173.13210	5.8
175.09599	2.7
175.11125	4.5
177.12636	3.2
179.08537	4.3
181.10109	16.8
181.11960	2.5
183.08009	2.5
183.11632	15.2
185.09686	3.2
185.13211	10.5
187.14735	2.8
189.11201	3.7
189.12747	6.5
191.10597	2.8
193.10117	7.4
193.12131	3.9
195.11703	13.5
197.13293	10.0
199.11157	3.9
199.14824	6.5
201.12531	3.3
203.14359	4.7
207.11766	6.6
207.13771	10.4
209.13235	8.3
211.14833	6.7
213.12808	6.4
215.14317	9.7
221.13280	9.5
223.14804	8.0
225.12740	6.0
225.16451	3.4
227.12611	4.1
231.17384	3.8
233.15332	3.0
235.14803	7.5
239.14244	8.3
241.15895	5.0
245.15482	2.8
257.15384	5.9
259.16959	4.3
271.16937	6.4
305.22562	4.9
323.23721	7.1
333.22171	13.9
341.24631	12.9
351.23117	49.2
369.24149	49.2
387.25305	22.9
417.26489	3.2
425.27026	4.8
443.27896	55.7
461.28903	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.2
53.02451	1.6
53.03923	4.9
55.01873	7.6
55.03320	1.5
55.05502	37.4
57.03424	12.2
57.07050	3.7
63.29061	1.5
65.03924	6.3
66.81556	1.5
67.05494	83.7
69.03415	4.0
69.07051	27.9
70.95361	3.5
70.95702	1.6
71.04977	7.2
73.06516	1.9
79.05479	73.5
81.03401	8.8
81.07043	72.9
83.04962	7.5
83.08605	17.5
84.18542	1.3
85.06535	6.1
91.05463	100.0
93.07027	65.8
95.04943	20.4
95.08591	44.2
97.06548	9.1
97.10137	12.8
98.20949	1.9
103.05450	5.3
105.03326	1.8
105.07011	70.6
107.04931	21.2
107.08578	30.5
109.06512	13.9
109.10135	20.8
111.08059	5.8
112.95892	1.7
115.05452	9.7
116.06222	3.2
117.06998	55.8
119.04916	3.9
119.08556	41.7
121.06503	18.2
121.10133	19.1
123.08056	6.9
123.11705	4.5
125.09618	5.5
128.06210	17.3
129.06985	56.3
130.07846	2.2
131.04919	6.2
131.08548	74.3
133.06480	12.3
133.10114	22.6
135.08025	9.0
135.11630	9.3
137.09560	7.6
137.66234	2.0
141.06981	17.3
142.07771	7.4
143.08545	49.9
145.06436	15.2
145.10101	33.2
147.08002	15.2
147.11642	9.2
149.09608	9.5
149.13239	4.5
151.11159	2.2
153.06946	4.1
154.07738	3.5
155.08517	34.4
156.09271	2.6
157.06479	6.4
157.10101	27.3
159.08073	12.6
159.11673	14.0
161.06032	1.7
161.09621	7.7
161.13217	1.9
163.11159	4.7
165.06975	3.7
165.09068	1.7
167.08540	12.8
168.09358	3.4
169.10097	22.8
171.08017	8.1
171.11659	19.3
173.09625	6.5
173.13240	6.5
175.09753	2.0
175.11224	5.3
177.12686	4.9
179.08530	4.7
180.09314	3.1
181.10094	15.1
183.08046	3.2
183.11664	13.6
185.09616	7.4
185.13222	15.9
187.11131	2.7
187.14784	3.0
189.11201	2.3
189.12782	2.5
193.05951	1.8
193.10138	5.4
193.12036	1.9
194.10832	2.1
195.11679	13.4
196.12505	2.2
197.09598	3.2
197.13261	13.2
199.11180	4.7
199.14821	6.1
201.12746	6.5
203.14304	2.5
205.10129	2.6
205.12291	2.1
206.10838	2.0
207.11621	5.9
209.13213	11.4
211.11156	5.5
211.14803	6.4
213.12752	11.7
213.16365	3.2
215.14302	6.7
217.15845	5.6
219.13741	2.5
220.12401	2.2
221.13290	8.1
223.14836	5.2
225.12732	5.6
225.16374	3.8
227.14302	2.9
229.16080	2.9
231.13860	3.9
231.17447	2.8
233.15331	2.8
235.14771	6.4
237.12802	1.8
239.14293	7.8
239.17908	1.7
241.15898	3.0
243.17578	1.8
245.15366	5.2
249.16669	1.7
253.15833	4.8
255.17310	2.5
257.15427	6.0
257.19150	2.7
259.16995	3.9
267.17142	2.4
271.16837	9.3
273.18381	2.6
275.16476	2.0
305.22623	2.3
315.20459	1.8
323.23743	10.9
333.22180	13.9
341.24704	19.0
345.20438	2.1
350.33972	2.0
351.23141	49.9
359.25726	4.2
369.24179	81.4
370.24506	4.6
387.03186	1.6
387.25208	47.2
387.29800	3.2
388.25470	1.8
405.26077	2.5
415.28278	4.6
417.26361	2.5
425.26733	7.0
443.27872	82.8
444.28186	5.5
461.28928	73.5
462.29214	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05511	4.2
56.47093	0.7
57.07077	1.1
59.39961	0.6
65.03914	0.6
67.05486	9.7
69.03408	1.3
69.07056	3.0
70.06579	0.6
71.02580	2.1
79.05470	4.2
81.03401	0.9
81.07037	11.5
83.01324	1.6
83.04967	1.6
83.08603	2.0
85.06564	0.8
91.05460	5.9
93.07025	5.9
95.04933	1.2
95.08584	12.3
97.06462	0.9
97.10128	1.9
105.07006	6.6
107.04942	1.1
107.08569	3.6
108.95258	0.6
109.06471	1.5
109.10149	4.8
111.04416	6.0
116.06183	0.7
117.06989	1.8
119.08588	3.1
121.06486	2.6
121.10104	2.7
123.08041	10.1
123.11678	1.9
125.09642	1.0
129.06992	1.2
129.32346	0.6
131.08553	6.0
133.06410	0.7
133.10094	2.1
135.08023	10.2
135.11678	1.5
137.05992	0.8
137.09572	0.9
137.13165	0.7
141.06989	0.8
143.08516	1.7
145.06493	1.1
145.10114	6.0
147.08058	1.5
147.11674	2.0
149.09593	5.7
151.07510	84.0
152.07848	2.4
155.08546	0.8
157.10158	1.5
158.07233	1.1
159.08017	6.1
159.11682	2.8
161.06004	1.3
161.09517	0.8
162.06737	3.6
162.07881	0.6
163.07481	1.9
163.11177	6.6
165.09087	8.3
165.12737	0.8
167.08383	0.7
172.08807	1.2
173.09587	6.1
175.07553	1.5
175.11177	0.9
176.08267	9.5
177.09079	62.2
177.12564	2.0
178.09357	1.6
179.10558	0.8
187.11130	2.5
188.08246	0.7
189.09045	1.1
189.12823	0.9
190.09834	5.5
191.10631	100.0
192.10948	2.0
199.11118	0.7
203.10641	1.4
205.12202	64.6
206.12552	2.2
209.13286	0.7
217.12170	1.2
219.13795	5.0
233.22549	0.7
251.23685	0.9
295.10294	0.8
351.22882	0.9
387.25159	1.7
415.31918	3.6
417.26117	0.8
443.27493	1.7
461.28351	5.2
461.32733	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	461.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01863	0.5
55.05497	5.9
57.03420	0.6
57.07058	0.8
57.80674	0.4
64.70156	0.4
65.03931	0.9
67.05496	9.5
69.03408	1.8
69.07053	4.0
70.06570	1.4
71.04978	0.9
79.05470	5.9
81.03403	1.0
81.07043	11.9
83.01322	2.0
83.04970	2.2
83.08611	3.1
85.02869	0.9
85.06503	1.1
86.09691	0.6
91.05470	6.4
93.07028	6.5
95.04969	2.2
95.07997	0.8
95.08589	13.6
97.06496	1.1
97.10149	2.3
105.07008	7.1
105.32488	0.4
107.04939	1.1
107.08576	4.4
109.06503	1.4
109.10152	5.4
111.04422	7.2
111.08066	0.6
111.11720	0.5
115.05402	0.7
116.06194	0.6
117.07010	3.0
119.08547	4.0
121.06495	3.0
121.10112	3.6
122.07267	0.4
123.04410	0.5
123.08049	10.0
123.11674	3.0
125.09616	1.2
127.03900	0.6
128.06195	0.7
129.06995	2.1
130.07758	1.0
131.08545	6.2
132.08981	0.5
133.06511	1.0
133.10114	2.3
135.08034	9.1
135.11690	1.3
137.05959	0.6
137.09595	1.0
137.13214	1.0
139.11107	0.4
140.37952	0.4
141.06943	0.6
143.08533	1.6
144.09259	0.6
145.06447	1.2
145.10098	5.3
145.59476	0.4
147.08026	1.4
147.11674	2.9
149.09592	5.6
149.13268	1.2
151.07513	79.9
152.07857	1.6
155.08549	1.1
157.10106	1.4
158.07268	1.2
159.08022	6.4
159.11655	3.3
161.05962	1.6
161.09590	1.4
161.13193	0.5
162.06732	4.6
163.07487	1.5
163.11151	7.5
163.14769	0.5
165.09079	9.3
165.12794	1.0
169.10143	0.9
171.11607	0.8
172.08821	1.0
173.09586	6.1
173.13225	0.5
175.07530	1.5
175.11150	1.2
176.08299	8.1
177.09077	61.2
177.12656	1.7
178.09415	1.8
179.10477	0.4
183.11673	0.8
185.09557	0.7
185.13077	0.7
187.11172	2.7
189.09059	1.7
189.11069	0.5
189.12703	0.7
190.09860	4.2
191.10635	100.0
192.11050	2.4
193.12213	0.6
195.13852	0.5
199.11166	0.7
199.14844	0.6
201.12793	0.4
203.10704	1.5
205.12199	63.4
206.12590	2.3
207.51971	0.4
215.10628	0.5
217.12224	1.1
217.15883	0.7
219.13731	5.2
231.13770	0.5
233.15421	0.6
243.17601	0.5
245.15428	0.4
251.23415	0.4
273.18326	0.5
275.20007	0.5
277.25491	0.4
287.19879	0.4
323.25714	1.2
325.21375	0.5
341.24719	0.5
343.22852	0.5
351.23047	1.7
359.79712	0.5
369.24088	2.5
387.25067	1.7
388.26022	0.5
392.60757	0.4
397.30853	1.0
405.26144	0.5
415.32132	3.6
417.25833	0.4
425.25888	0.5
425.30826	0.5
438.50964	0.4
443.27249	2.3
445.62762	0.4
461.15048	0.5
461.28546	6.7
461.33093	4.1
462.28812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	0.9
55.05504	5.6
56.05014	1.3
56.79221	0.5
57.03427	3.6
57.07066	0.8
58.06584	1.6
61.02915	2.5
67.05495	6.6
67.19891	0.5
69.03420	8.6
69.07060	4.9
70.06580	15.9
70.78595	0.6
70.78957	1.4
71.04984	2.5
72.08134	0.6
73.02920	2.7
75.04451	1.5
79.05475	2.5
81.03412	3.5
81.07047	8.3
82.06576	1.1
83.01327	0.5
83.04972	0.8
83.08590	2.7
84.04520	0.6
84.08132	2.4
85.02894	18.1
86.09692	1.3
87.00865	0.5
87.04453	3.1
87.05593	0.7
91.03952	0.8
91.05465	1.6
93.07027	2.9
95.04929	1.1
95.08594	7.2
96.08124	2.4
97.02872	6.2
97.10158	0.9
98.09660	2.2
98.20823	0.6
99.04440	2.1
100.11247	2.0
101.07090	0.6
105.07011	1.3
106.30790	0.6
107.04942	1.0
107.08574	2.5
109.02835	2.9
109.10126	3.4
110.09673	0.7
111.04442	0.9
114.09150	1.3
115.03953	0.9
117.06971	0.6
119.08559	1.2
121.10140	1.2
122.10546	0.5
123.11736	0.7
123.45048	0.6
124.07596	0.6
124.11236	0.6
127.03899	3.7
127.47503	0.5
128.04431	0.6
129.10231	0.6
130.05103	0.5
133.10121	1.5
135.04402	0.7
135.08119	0.7
136.07544	0.7
137.02312	0.8
137.05956	1.5
143.08562	0.8
145.04951	1.2
145.06430	0.5
145.10139	1.1
151.07504	1.8
152.07903	0.6
155.08591	0.7
157.10013	0.7
161.09480	0.5
162.09032	0.6
163.03833	3.5
177.09090	0.9
179.10667	0.7
185.09627	0.6
191.03404	1.7
191.10667	0.8
264.26822	29.1
265.27155	1.2
273.03888	3.0
282.27875	45.9
283.16815	0.7
283.28207	1.8
286.04602	0.9
287.05536	3.1
300.28918	51.1
301.07001	1.9
301.29361	2.0
302.04123	1.0
317.06546	9.8
317.10010	0.9
342.30042	1.6
388.20587	0.6
416.19754	1.3
427.09659	0.6
438.75305	0.5
439.33896	0.6
444.33286	2.2
462.20749	3.4
462.34195	100.0
463.34497	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	462.3418
Annotation	D-Glucosylsphingosine
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	0.9
55.05504	5.6
56.05014	1.3
56.79221	0.5
57.03427	3.6
57.07066	0.8
58.06584	1.6
61.02915	2.5
67.05495	6.6
67.19891	0.5
69.03420	8.6
69.07060	4.9
70.06580	15.9
70.78595	0.6
70.78957	1.4
71.04984	2.5
72.08134	0.6
73.02920	2.7
75.04451	1.5
79.05475	2.5
81.03412	3.5
81.07047	8.3
82.06576	1.1
83.01327	0.5
83.04972	0.8
83.08590	2.7
84.04520	0.6
84.08132	2.4
85.02894	18.1
86.09692	1.3
87.00865	0.5
87.04453	3.1
87.05593	0.7
91.03952	0.8
91.05465	1.6
93.07027	2.9
95.04929	1.1
95.08594	7.2
96.08124	2.4
97.02872	6.2
97.10158	0.9
98.09660	2.2
98.20823	0.6
99.04440	2.1
100.11247	2.0
101.07090	0.6
105.07011	1.3
106.30790	0.6
107.04942	1.0
107.08574	2.5
109.02835	2.9
109.10126	3.4
110.09673	0.7
111.04442	0.9
114.09150	1.3
115.03953	0.9
117.06971	0.6
119.08559	1.2
121.10140	1.2
122.10546	0.5
123.11736	0.7
123.45048	0.6
124.07596	0.6
124.11236	0.6
127.03899	3.7
127.47503	0.5
128.04431	0.6
129.10231	0.6
130.05103	0.5
133.10121	1.5
135.04402	0.7
135.08119	0.7
136.07544	0.7
137.02312	0.8
137.05956	1.5
143.08562	0.8
145.04951	1.2
145.06430	0.5
145.10139	1.1
151.07504	1.8
152.07903	0.6
155.08591	0.7
157.10013	0.7
161.09480	0.5
162.09032	0.6
163.03833	3.5
177.09090	0.9
179.10667	0.7
185.09627	0.6
191.03404	1.7
191.10667	0.8
264.26822	29.1
265.27155	1.2
273.03888	3.0
282.27875	45.9
283.16815	0.7
283.28207	1.8
286.04602	0.9
287.05536	3.1
300.28918	51.1
301.07001	1.9
301.29361	2.0
302.04123	1.0
317.06546	9.8
317.10010	0.9
342.30042	1.6
388.20587	0.6
416.19754	1.3
427.09659	0.6
438.75305	0.5
439.33896	0.6
444.33286	2.2
462.20749	3.4
462.34195	100.0
463.34497	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01865	4.3
55.05504	38.4
57.03415	10.4
57.07045	4.6
67.05139	6.1
67.05492	98.4
68.75809	4.2
69.07054	31.4
71.04962	7.8
79.05482	74.1
81.06599	7.6
81.07045	87.1
83.04947	6.5
83.08585	15.1
85.02867	4.6
85.06522	6.0
91.05463	100.0
93.07037	80.1
95.04959	16.5
95.08589	48.7
97.06519	12.9
97.10152	8.4
103.05379	7.3
105.07017	88.1
107.04921	11.6
107.08591	39.4
109.06490	10.7
109.10125	15.0
111.08042	4.8
117.07005	47.7
119.08553	56.4
121.06487	13.6
121.10121	26.3
123.08053	7.8
123.11663	5.3
128.06284	5.3
129.06973	32.1
131.08545	73.1
133.06409	5.2
133.10107	32.9
135.08052	11.2
135.11696	11.9
137.09630	4.7
141.06996	9.6
143.08525	23.7
145.06386	5.6
145.10091	33.8
147.08057	5.0
147.11650	6.5
149.09552	5.9
149.13271	10.2
155.08543	12.6
157.10107	16.8
159.10530	4.7
159.11641	21.8
161.09599	5.6
167.08531	9.3
169.10077	14.7
171.11636	16.2
171.67540	4.4
173.13199	7.9
175.11057	7.3
181.10129	5.2
183.11647	12.0
185.13225	8.5
195.11691	7.2
197.13315	6.7
199.14786	7.0
221.15515	5.3
225.16232	4.4
227.14380	6.4
247.16995	8.6
259.16858	8.4
287.05469	7.5
325.25327	6.3
335.23416	11.2
343.26212	21.7
348.26813	4.8
353.24612	43.7
371.25702	60.1
389.26855	70.9
427.28165	6.0
445.29407	84.4
446.30035	6.9
463.30472	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.01852	4.6
55.05502	33.6
57.03432	8.6
57.07067	2.6
65.03925	3.2
67.05495	87.3
69.03416	3.1
69.07058	29.5
70.06562	3.4
71.01356	1.9
71.04974	8.4
79.05482	53.9
81.03410	31.4
81.07041	100.0
83.04961	10.0
83.08607	25.5
85.02898	7.4
85.06536	5.9
91.05461	52.1
93.07032	64.8
95.04960	25.3
95.08590	59.0
96.05286	2.8
97.02870	1.7
97.06520	13.8
97.10144	8.4
98.20885	8.7
99.04443	2.0
99.08082	5.8
103.05430	2.2
105.07014	38.4
107.04965	7.0
107.08577	36.2
108.08838	1.9
109.06509	7.3
109.10133	15.4
111.04429	1.8
111.08057	9.4
115.05453	1.9
117.06995	14.1
119.08566	24.8
121.06495	4.6
121.10119	18.4
123.04424	4.4
123.08055	4.2
123.11710	4.3
125.09655	4.6
127.03989	2.0
127.07500	1.9
128.06184	2.3
129.07021	8.3
131.08565	17.8
133.06522	3.3
133.10098	23.4
135.08058	3.4
135.11667	13.6
137.05972	2.5
137.09621	3.2
137.13271	1.6
139.07498	2.2
141.06941	2.1
142.07799	2.2
143.08546	5.7
145.06464	1.5
145.10104	7.0
147.08072	5.3
147.11681	8.2
149.09612	6.9
149.13223	23.7
151.07489	4.7
155.08534	3.0
157.10100	7.1
159.11707	11.2
161.09665	2.3
161.13232	13.2
163.11150	2.9
165.12740	4.2
169.10114	2.8
171.11604	1.7
173.13300	2.7
175.11205	7.0
177.12766	6.5
179.14375	4.3
183.11659	2.7
185.13181	1.9
193.12177	19.7
195.13780	10.4
200.32143	1.7
211.13248	10.6
211.21671	1.8
212.10736	2.5
227.12607	2.1
253.17928	8.6
262.10651	1.8
267.15933	5.9
287.05618	5.7
315.89194	2.1
321.19315	2.1
335.23578	3.3
340.51035	2.2
343.26453	3.7
351.24863	2.4
353.24591	7.4
371.25696	11.1
389.26849	6.4
445.29581	16.1
463.30524	74.4
464.21072	3.1
464.30930	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	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03950	4.4
53.04166	0.8
55.01860	2.2
55.04876	0.8
55.05504	19.3
57.03428	5.2
57.07050	2.8
65.03927	2.5
67.05495	77.4
69.03407	1.2
69.07057	26.9
69.36169	0.8
70.95208	2.0
70.95561	1.3
71.04971	4.5
71.08618	1.2
79.05482	47.6
81.03423	2.1
81.07044	100.0
83.04971	5.9
83.08607	17.5
85.02869	1.2
85.06522	4.4
91.05465	31.1
93.07030	65.6
94.36340	1.0
95.04934	7.0
95.08591	23.8
97.06516	12.5
97.10180	1.5
99.04415	0.9
99.08108	2.6
105.04504	1.7
105.07010	11.1
106.81660	0.8
107.04943	1.0
107.08576	35.8
108.08856	1.0
109.06484	3.7
109.10134	3.8
111.08046	8.3
115.05430	0.9
117.07003	10.9
119.06004	0.9
119.08584	4.0
121.06492	2.1
121.10127	17.0
123.08044	1.6
123.11688	3.5
125.09584	1.1
129.07036	1.8
131.08548	13.2
133.10107	14.9
133.11024	1.3
133.35809	0.8
134.76083	0.8
135.08028	2.9
135.11661	12.0
138.88202	1.0
139.11215	1.5
143.08591	1.1
145.10085	1.6
147.11653	1.7
149.13237	40.8
151.11147	1.9
157.10176	1.1
159.11664	16.5
167.14247	1.0
168.64738	0.8
171.11565	1.0
177.12709	7.3
183.11627	1.1
195.13768	21.8
213.14851	2.4
218.05930	0.9
269.17303	1.2
353.24512	2.1
371.25757	1.9
389.27023	2.6
445.29791	4.8
463.30505	62.7
464.30905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.9
53.03926	6.6
55.01850	4.5
55.05502	34.3
57.03431	13.9
57.07074	2.7
65.03925	6.9
65.75701	1.8
67.05495	85.7
69.07057	33.5
70.83378	6.5
71.04973	6.6
79.05484	67.8
81.03400	2.2
81.07044	86.1
83.04961	7.7
83.08617	13.9
85.06518	5.0
91.05469	100.0
93.07032	67.7
95.04963	13.2
95.08592	52.9
96.82999	1.8
97.06519	11.0
97.10138	4.7
103.05455	4.4
105.07012	84.3
107.04921	7.5
107.07897	2.9
107.08579	31.2
109.06507	10.4
109.10141	12.2
111.08070	3.5
115.05429	5.6
117.07002	38.6
119.04916	2.3
119.08570	49.4
121.06490	9.7
121.10120	24.6
123.08039	7.3
123.11697	2.6
125.09619	3.8
128.06229	7.9
129.06987	29.1
130.07816	4.2
131.08549	65.3
133.06473	3.9
133.10109	32.9
135.08014	6.0
135.11668	8.7
137.09641	4.0
139.11128	2.0
139.95601	1.7
140.52168	1.7
141.06979	9.4
142.07730	1.9
143.08543	26.2
145.06462	5.2
145.10101	37.6
147.07996	9.1
147.11668	8.8
149.09572	4.9
149.13232	10.1
155.08525	14.2
157.10088	18.5
159.08060	3.6
159.11665	20.4
161.09618	3.7
161.13193	4.0
163.11079	3.3
167.08528	6.6
169.10069	10.5
171.11668	17.4
173.13243	8.5
175.11180	3.9
177.12766	2.8
181.10097	7.1
183.11618	8.9
185.13220	9.1
187.11192	3.0
187.14807	4.0
189.12785	2.5
195.11684	7.4
195.13687	3.0
197.13304	8.6
199.11108	3.8
199.14844	5.1
201.12764	3.3
201.16365	3.0
203.14294	3.2
205.15932	2.2
209.13181	4.6
211.14760	6.9
213.12695	3.0
213.16405	4.0
219.17372	1.9
223.14804	4.9
225.16386	2.8
227.14369	2.4
227.17917	2.4
233.15375	3.6
237.16345	3.2
241.15828	2.4
247.16920	7.4
257.19061	2.2
259.16934	2.9
261.18341	3.5
269.18875	2.3
273.18417	3.7
307.24084	2.4
325.25183	6.9
335.23636	12.4
343.26410	17.2
353.20337	2.6
353.24673	39.8
371.25763	48.2
389.26834	50.2
409.27637	1.9
427.28244	2.5
445.29434	65.1
446.29437	2.2
463.30475	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29560	0.9
51.02368	1.2
53.03932	3.9
54.40424	0.9
55.01855	2.9
55.05504	21.4
57.03432	7.4
57.07059	2.7
65.03915	3.5
67.05494	81.6
67.94892	0.8
69.07055	27.1
70.01804	4.3
71.04983	5.4
71.08610	1.1
72.30328	0.9
79.05481	51.1
81.03401	4.3
81.07043	100.0
83.04965	8.4
83.08605	22.5
85.06535	4.2
91.05465	38.1
91.06046	2.1
93.07029	70.6
95.04945	8.7
95.08585	25.4
97.06507	13.0
97.10181	2.2
99.08083	3.8
105.04466	1.7
105.07011	13.8
107.04956	1.8
107.08575	38.8
109.06499	3.4
109.10123	4.5
111.08058	9.5
115.05482	1.4
117.06998	13.4
119.08558	7.0
121.06470	3.3
121.10126	22.0
123.08043	2.1
123.11673	3.3
125.09585	1.4
130.91855	0.9
131.08543	13.1
133.10103	15.6
135.08040	4.1
135.11647	11.2
139.11148	1.4
141.06964	1.2
142.75285	1.1
143.08514	1.7
145.10109	4.1
147.11662	2.9
149.09608	1.6
149.13228	39.4
151.11180	1.7
155.08537	2.3
157.10088	1.9
159.08026	1.2
159.11667	14.1
163.11098	0.9
166.99008	1.1
167.14288	1.8
171.61804	1.2
177.12720	9.5
195.13763	22.3
213.14874	3.1
219.13690	1.0
269.17532	1.1
287.05576	1.1
353.24728	1.9
371.25897	3.8
389.26733	2.3
445.29498	6.0
463.30484	77.2
464.31003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3044
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02389	1.3
53.03929	3.7
55.01858	2.4
55.05501	22.8
57.03428	7.7
57.07051	1.7
65.03915	3.5
67.05490	78.9
69.07049	25.6
70.55711	1.6
71.04974	6.2
71.13901	4.1
79.05476	55.0
81.03397	3.7
81.07040	100.0
83.04967	8.3
83.08604	22.2
85.02887	1.5
85.06521	6.8
91.05460	42.2
93.06434	3.6
93.07028	72.4
95.04961	8.7
95.05873	1.4
95.08584	33.6
97.06517	11.1
97.10131	3.4
99.08048	2.9
101.31734	1.5
103.05439	1.8
105.04514	2.1
105.07008	24.9
107.04942	3.4
107.08578	37.4
109.06509	4.6
109.10120	9.7
111.08062	8.7
113.05986	1.7
117.07012	17.7
118.30945	1.3
119.08548	18.1
121.06522	5.7
121.10129	24.5
123.08064	2.5
123.11677	3.5
125.09576	2.2
128.06219	1.9
129.06982	8.7
131.08542	26.0
133.06509	1.9
133.10095	17.6
135.08017	2.7
135.11674	12.4
135.94368	1.5
141.06963	2.5
143.08551	5.9
145.06422	1.7
145.10110	9.7
147.11655	5.2
149.09669	1.9
149.13232	38.7
155.08510	4.1
157.10109	4.0
159.11662	19.3
169.10104	2.8
171.11746	3.1
173.13316	2.1
177.12706	11.5
195.13785	16.8
199.14725	2.1
209.13248	2.2
213.12772	1.8
213.14816	1.8
314.89490	1.7
316.11606	2.1
325.25089	2.0
335.23773	2.8
343.26364	3.7
353.24576	13.6
371.25714	12.8
389.26810	13.1
427.28085	1.6
445.29373	22.9
463.30487	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01866	3.9
55.05235	1.3
55.05501	20.5
57.03427	8.5
57.07061	2.9
65.03933	3.8
65.38392	0.7
67.05492	83.3
68.96123	0.7
69.07056	29.4
70.86736	2.6
71.01314	1.3
71.04976	5.6
73.02894	1.1
79.05478	53.2
81.03398	4.0
81.07041	100.0
82.07336	1.0
83.04970	9.7
83.08605	18.1
85.02898	1.3
85.06520	4.7
91.05461	30.1
93.07026	75.6
95.04951	9.3
95.08587	27.2
97.06516	15.5
97.10149	2.4
97.90616	0.7
98.98454	2.2
99.08066	4.2
105.04539	1.1
105.07003	12.6
107.04940	1.3
107.08572	37.0
109.06483	4.4
109.10133	3.8
111.08051	9.2
111.11691	1.0
113.06020	1.2
113.09654	1.1
117.07006	11.7
119.08564	4.7
121.06513	1.8
121.10119	26.6
123.08017	1.4
123.11658	3.4
125.09634	0.8
127.07537	1.0
129.06990	1.2
131.08533	12.8
133.10100	10.5
135.08049	3.2
135.11661	14.0
135.47446	0.7
137.83571	0.7
139.07512	1.1
139.11143	2.3
145.10107	1.5
147.11682	2.4
149.13229	54.6
151.11194	1.7
155.01065	2.4
157.10005	1.1
159.11659	18.3
165.12726	0.9
167.14264	1.8
177.12726	7.0
179.14227	1.0
182.83051	0.8
195.13763	17.6
213.14856	2.7
219.13803	2.1
269.17288	0.9
270.33246	0.8
287.05524	2.3
309.24335	2.7
351.25293	1.5
371.25549	1.1
445.24109	0.7
463.30530	63.2
464.30869	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3774
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05505	15.4
57.07062	30.6
65.80383	2.1
67.05495	5.8
69.07060	22.5
71.08615	24.8
79.05489	5.2
81.07046	19.8
83.08596	10.6
85.10168	12.4
91.05463	5.4
93.07021	6.5
95.08578	15.0
97.06512	2.6
97.10162	8.3
98.20674	5.5
99.04453	4.2
105.07030	4.0
107.04970	2.4
107.08600	5.4
109.06504	11.4
109.10145	7.9
111.11736	3.2
118.96143	2.0
119.08531	4.7
121.06481	2.2
121.10114	4.8
123.08064	7.9
123.11705	3.8
125.05956	11.5
125.09610	2.1
127.07530	41.6
130.02231	2.1
131.08534	2.4
135.07996	3.1
137.05971	3.4
137.09618	2.5
139.07518	100.0
149.09560	3.0
149.13112	2.3
151.07553	5.5
161.13071	2.7
162.31218	1.7
165.09109	3.3
165.44295	1.9
167.07066	6.0
176.21344	1.7
177.09097	11.3
249.14844	2.2
271.42194	1.9
301.28754	5.7
319.29886	7.9
347.32965	17.5
373.30853	4.7
399.36267	6.3
403.35571	2.8
417.37085	15.7
427.35495	3.7
445.36716	32.7
446.36920	2.8
463.37723	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	463.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	32.3
56.30622	8.9
57.07069	76.3
67.05490	25.4
69.07059	100.0
71.08610	46.2
71.43692	22.6
79.05460	32.9
81.07053	74.0
83.08616	70.8
83.98155	10.5
85.10166	21.2
91.05450	24.0
93.07004	31.7
95.04891	11.0
95.08621	56.3
95.09114	11.1
97.10129	49.0
105.06998	35.7
107.08578	50.8
107.21165	10.9
109.06486	32.5
109.10123	31.7
111.08035	18.8
111.11709	30.8
119.08549	30.7
121.10114	20.7
123.08000	13.5
123.11713	16.5
131.08546	18.4
133.10091	27.3
135.08026	26.9
137.05908	13.1
141.82799	10.1
145.10144	12.8
147.11655	18.0
151.07509	20.1
157.10126	16.6
159.11615	13.1
161.13229	35.5
165.09079	11.3
165.76105	11.1
175.11157	18.4
175.14757	11.9
179.06946	12.0
181.08598	20.3
189.12703	21.1
203.14357	19.1
207.13908	12.5
249.14853	15.2
351.76346	11.2
357.34991	36.7
399.36258	19.1
417.37158	13.1
427.35754	25.5
445.36801	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2063
Annotation	Specioseine
Peak:m/z	Relative Intensity
51.02391	0.4
52.07800	0.4
53.03931	0.5
53.06281	0.4
55.01855	0.5
55.05497	1.0
67.05480	2.0
69.03405	1.5
69.07050	0.9
69.95711	0.4
70.06591	1.9
70.93642	0.8
70.94015	0.8
79.05476	4.7
80.05005	0.4
81.03416	1.2
81.07056	2.6
84.08121	1.2
85.02882	1.2
86.09681	0.5
91.05450	3.4
93.07021	2.1
94.06556	0.7
95.04956	1.6
95.08581	1.5
97.02867	0.4
103.05441	1.8
105.07010	61.7
106.07372	1.0
107.04929	0.7
107.08591	0.8
108.04461	1.6
109.10138	0.5
117.06998	3.0
119.08566	1.2
120.08885	0.4
121.02862	0.6
121.06474	0.7
121.10153	0.6
122.06007	1.6
124.20825	0.5
128.06218	0.8
129.06984	1.9
131.08546	2.1
132.08078	1.0
133.10101	1.3
134.09596	0.4
139.03882	0.5
141.06949	1.5
142.07729	1.2
143.08548	2.8
145.06517	0.7
145.10123	1.6
153.01680	0.5
154.07748	1.7
155.08566	1.0
157.10097	4.5
159.08028	0.9
159.11702	2.2
161.09558	0.9
163.11183	0.6
167.08536	9.0
169.08812	1.0
169.10124	3.3
170.07324	0.4
171.07945	0.4
175.11197	0.7
176.11543	0.6
181.10072	0.8
182.09592	0.8
184.07599	1.3
184.11150	3.9
185.08157	0.3
185.09593	7.9
186.09081	3.8
187.11165	1.4
188.10670	1.8
195.07971	0.5
195.11719	0.6
196.07582	0.4
197.08162	0.5
197.13287	0.5
198.09070	2.1
200.10693	1.5
202.21045	0.5
203.10599	1.6
212.10663	46.0
213.09074	1.0
213.11171	1.2
214.12238	1.5
223.11276	0.5
229.04965	0.6
231.10208	1.4
240.13863	1.0
249.11212	1.9
250.12204	1.0
257.04190	0.4
303.04962	10.5
341.41995	0.4
344.20145	1.0
354.18448	1.7
356.20065	0.7
372.19659	1.3
390.20490	1.8
392.22119	0.9
400.19077	3.8
417.66034	0.5
418.20099	10.5
419.20547	0.5
436.21143	13.2
437.21689	0.5
446.29727	0.7
464.20633	100.0
465.20917	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	464.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62706	1.5
53.03930	2.2
54.47684	1.6
55.05492	5.5
56.05015	2.4
57.03418	2.7
57.07057	4.0
67.05489	6.0
67.47092	1.5
69.03408	8.4
69.07060	4.0
70.06590	13.5
70.32370	3.3
70.32756	4.0
72.08113	1.6
79.05489	3.7
81.03413	3.0
81.07036	6.2
83.04974	2.6
84.08132	9.5
85.02890	13.1
91.05454	5.3
93.07028	6.1
94.07355	1.5
95.04921	2.4
95.08584	10.4
97.02888	7.7
105.07040	4.8
107.04943	2.7
107.08570	6.7
109.02856	6.0
109.06517	3.2
109.10150	3.7
111.04427	33.1
111.08089	2.5
117.06998	2.7
121.06490	3.0
121.10130	4.9
123.08015	1.9
123.11732	2.3
125.05977	13.9
127.03904	6.8
129.10228	3.3
131.08537	3.7
135.08037	7.6
135.11694	7.1
136.07610	3.5
137.02350	3.1
145.05014	2.2
145.10126	9.1
148.07515	2.2
151.07542	6.0
153.01804	4.4
153.12714	2.6
158.77292	1.5
163.11169	11.1
181.06398	3.9
181.12202	96.7
199.13257	18.0
229.04979	6.6
257.04239	2.5
272.96027	1.9
303.04947	100.0
395.60602	1.5
464.18503	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	464.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53083	0.2
53.95343	0.2
56.05027	0.8
57.03438	0.4
58.06598	0.4
60.08154	7.3
67.05493	0.7
69.03420	0.4
69.07055	0.3
70.06582	1.0
71.07361	3.0
79.05487	0.9
81.03397	0.3
81.07056	0.8
83.04964	0.4
84.08119	0.4
85.02879	0.5
86.09693	35.3
87.10034	0.3
91.05450	0.7
91.96834	0.3
93.07045	0.6
95.04964	0.4
95.08590	0.4
98.20739	0.6
98.98443	3.1
98.99001	0.4
104.10725	4.4
105.07014	0.4
107.08595	0.3
109.02962	0.3
109.10138	0.2
113.85009	0.2
124.99984	24.9
143.01076	0.4
153.01851	0.5
155.21155	0.2
159.11740	0.2
171.11627	0.2
184.07314	100.0
185.07655	1.1
189.00833	0.2
192.03094	0.2
197.40173	0.3
229.04828	0.4
281.17535	0.3
303.04938	5.3
307.83539	0.2
446.22858	1.3
464.17859	0.3
464.24042	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	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03924	0.7
55.01842	0.6
55.05488	0.5
57.03420	1.4
61.02916	1.9
65.03928	0.3
65.77304	0.2
67.05470	0.4
68.99766	1.0
69.03417	5.7
70.26756	1.1
71.01324	0.3
71.04960	0.8
73.02911	2.8
79.05470	0.2
81.03410	2.7
81.07028	0.8
85.02888	14.4
87.04427	1.4
91.03925	0.8
91.05460	0.3
93.03368	0.3
93.07034	0.5
95.04945	0.4
95.08590	0.6
97.02879	4.0
99.04438	1.8
103.03909	0.5
104.07075	0.3
105.07048	0.6
109.02867	2.3
109.10116	0.3
111.00773	1.0
115.03886	0.2
117.03388	0.3
117.06978	0.4
119.08569	0.4
121.02857	0.8
121.06501	0.4
123.04403	0.6
127.03887	4.2
135.04366	0.3
137.02315	4.0
137.03371	0.5
145.02856	0.6
145.04958	1.9
149.02330	0.4
153.01793	8.3
155.04877	0.3
163.03938	0.9
165.01801	2.5
166.33833	0.3
173.05974	0.7
177.05440	1.4
183.02838	1.0
183.04306	0.4
187.03856	0.5
195.02882	0.4
201.05392	2.5
219.02748	0.3
229.04919	5.2
247.06093	0.7
257.04346	3.1
274.04620	1.0
285.03897	2.5
286.04486	0.3
302.04187	0.8
303.04941	100.0
304.05222	3.2
327.04913	0.4
345.05945	1.3
360.05798	0.3
371.33905	0.3
405.05948	1.1
406.06454	0.5
465.08673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01864	0.5
65.03922	0.3
68.80560	0.2
68.99776	0.9
70.06571	0.4
70.79908	0.2
71.18969	0.2
76.96303	0.2
78.64845	0.2
81.03381	0.5
84.08134	0.2
85.02882	0.8
87.05558	0.2
87.09216	0.7
91.05438	0.2
93.03372	0.6
95.04939	0.4
107.04940	0.2
109.02860	0.4
110.23701	0.2
111.00801	1.0
115.85622	0.2
119.04910	0.3
121.02837	1.3
123.03626	0.3
123.04424	4.2
127.03886	0.4
131.04906	0.2
135.04433	0.4
137.02315	4.5
137.05959	0.2
139.03897	0.5
141.01820	0.2
145.06439	0.2
147.04417	0.3
149.02356	0.6
151.03918	0.3
153.01805	5.3
155.04913	0.7
161.05957	0.4
163.03893	1.1
165.01807	2.8
166.02589	0.4
170.74277	0.2
173.05942	0.7
177.05434	0.2
179.03334	0.5
183.02870	1.5
183.04402	0.5
187.03879	0.5
191.03342	0.3
195.02859	0.4
201.05452	2.1
205.04877	0.4
207.02907	0.3
211.03929	0.3
215.03331	0.3
219.06578	0.2
223.02435	0.3
228.04163	0.4
229.04910	6.0
233.04401	0.3
235.19908	0.2
239.03358	0.3
247.05858	0.9
257.04425	3.6
261.03992	0.3
267.04895	0.2
274.04587	1.1
275.05316	0.4
279.04959	0.2
285.03882	1.8
297.06152	0.2
303.04953	100.0
304.05286	2.7
313.05432	0.7
315.05069	0.2
447.08554	0.3
465.10135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	0.7
55.15649	0.1
57.03426	0.9
59.06132	0.1
61.02919	1.6
65.03938	0.3
67.01839	0.2
67.05497	0.1
68.33664	0.1
68.99777	0.8
69.03417	3.7
69.71047	0.2
69.71455	0.4
70.32133	0.1
71.01366	0.1
71.04982	0.3
73.02908	0.5
81.03402	2.0
83.01349	0.2
85.02892	9.8
85.07664	0.1
87.04442	0.4
91.03935	0.6
91.05464	0.1
93.03373	0.4
95.04971	0.4
97.02879	3.5
99.04443	0.5
101.02397	0.1
103.08710	0.2
104.11353	0.1
105.75274	0.1
106.88379	0.1
107.04936	0.1
109.02858	1.6
110.03638	0.1
111.00788	1.0
115.03905	0.1
115.05446	0.1
117.06960	0.1
121.02859	1.1
122.46096	0.1
123.04420	0.4
127.03894	2.2
131.04919	0.2
133.02766	0.1
135.04466	0.2
137.02316	4.0
138.02710	0.1
145.02899	0.1
145.04948	1.6
145.06448	0.3
146.05257	0.1
149.02351	0.5
153.01799	5.2
155.04877	0.4
157.06509	0.1
159.04501	0.1
161.05989	0.4
163.03870	0.8
165.01811	2.6
166.02646	0.3
173.05997	0.6
177.01855	0.1
177.05461	0.2
179.03415	0.1
183.02878	1.0
183.04404	0.4
187.03816	0.5
189.05574	0.1
191.03416	0.2
191.07047	0.2
194.02122	0.1
195.02878	0.3
201.05421	2.3
205.04948	0.2
207.02882	0.2
211.03914	0.2
212.52075	0.1
213.05466	0.2
215.03366	0.1
217.05020	0.1
219.02895	0.2
219.06514	0.3
228.04178	0.3
229.04918	5.8
230.05353	0.2
232.03557	0.1
233.04536	0.1
239.03369	0.2
245.04530	0.1
246.05182	0.1
247.05992	0.9
257.04410	3.2
274.04684	0.8
275.05417	0.3
285.03906	1.5
286.04544	0.1
302.03748	0.1
303.04938	100.0
304.05273	3.5
315.04846	0.5
327.05057	0.1
345.06119	0.4
369.06152	0.2
429.08456	0.1
447.09058	0.2
465.10376	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	465.1016
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03409	0.7
61.02898	1.8
68.99776	1.0
69.03419	3.3
69.63988	4.1
69.64355	0.7
73.02867	0.5
81.03388	1.7
81.22773	0.5
83.01324	0.5
85.02890	10.2
91.03903	0.5
96.65707	0.4
97.02871	3.0
99.04436	0.6
102.40659	0.4
104.36538	0.5
109.02848	1.1
111.00740	0.6
121.02861	0.9
127.03893	1.6
131.74660	0.5
137.02312	3.8
145.04924	1.5
153.00618	0.6
153.01793	5.5
163.03862	0.5
165.01819	1.7
183.02826	1.0
201.05455	1.7
224.17497	0.4
228.04144	0.6
229.04919	5.4
247.05884	0.5
254.10701	0.4
257.04370	2.4
274.04703	0.9
285.03864	1.7
303.04944	100.0
304.05261	3.9
305.91296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01854	0.2
61.02886	0.1
65.03925	0.2
67.01843	0.2
67.05489	0.1
68.99772	0.9
69.03411	0.2
70.06590	0.2
70.14538	0.4
77.41442	0.1
80.54717	0.1
81.03394	0.4
85.02881	0.3
87.09196	0.1
93.03391	0.3
95.04956	0.4
97.02850	0.1
103.05418	0.1
105.03368	0.1
107.04948	0.1
109.02859	0.6
110.03649	0.1
111.00782	1.3
115.05424	0.1
117.06955	0.1
121.02844	1.3
123.04413	0.4
127.03879	0.3
131.04887	0.2
133.02779	0.1
133.06392	0.1
135.04410	0.4
135.89706	0.1
136.07408	0.1
137.02318	4.8
139.03889	0.1
143.04855	0.1
145.02818	0.1
145.06456	0.3
147.04350	0.1
149.02315	0.6
151.03899	0.1
153.01797	5.5
154.02158	0.1
155.04881	0.3
157.06543	0.2
159.04359	0.2
161.05980	0.4
163.03900	1.0
165.01811	2.5
166.02570	0.5
171.02834	0.1
173.05971	0.6
177.01830	0.2
177.05441	0.2
179.03339	0.2
183.02844	1.2
183.04404	0.4
187.03932	0.4
191.03343	0.2
191.06990	0.2
194.02104	0.1
195.02846	0.2
201.05428	2.8
203.03500	0.1
205.04956	0.3
207.02948	0.1
211.03944	0.1
213.05388	0.2
215.03404	0.1
219.02835	0.2
219.06516	0.4
228.04117	0.3
229.04926	6.1
230.05327	0.1
232.03488	0.1
233.04311	0.1
239.03419	0.3
245.04517	0.2
247.05948	0.9
257.04398	3.9
258.04733	0.2
274.04727	1.0
275.05475	0.2
285.03870	1.7
285.12827	0.1
286.04626	0.2
303.04932	100.0
304.05270	2.8
315.04785	0.2
331.41394	0.1
345.05716	0.1
416.66019	0.1
420.96024	0.1
465.10190	0.6
465.19308	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	465.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01841	1.0
57.03413	0.9
61.02914	1.6
68.99768	0.9
69.03093	0.3
69.03420	3.7
69.87971	1.1
69.88389	0.6
71.04960	0.3
73.02870	0.6
81.03411	2.0
85.02887	9.8
91.03930	0.3
95.04926	0.3
97.02876	3.6
98.20742	0.5
99.04443	0.5
107.82985	0.2
109.02855	1.6
111.00781	1.1
115.03867	0.3
117.07016	0.3
121.02836	1.0
123.04377	0.5
127.03902	2.0
137.02313	4.0
137.03342	0.4
145.02773	0.4
145.03998	0.2
145.04941	1.6
145.06433	0.5
149.02287	0.5
153.01793	5.1
155.04866	0.3
163.03874	1.1
165.01817	2.4
166.02547	0.3
173.05945	0.5
183.02872	0.9
183.04353	0.3
187.03857	0.5
201.05429	2.5
205.04900	0.3
219.06471	0.5
229.04936	6.1
247.06004	0.8
257.04456	3.2
274.04684	0.8
275.05292	0.5
285.03848	1.6
303.04941	100.0
304.05264	4.6
315.04739	0.4
345.05936	0.4
427.11288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03920	0.2
55.01849	0.4
55.05492	0.1
57.03424	0.4
57.36688	0.2
58.21669	0.2
61.02903	0.5
65.03928	0.4
67.05508	0.2
68.99783	0.9
69.03075	0.2
69.03416	1.3
69.07016	0.1
69.97961	0.6
69.98370	0.2
70.06575	0.6
73.02893	0.2
81.03401	0.8
81.07052	0.3
84.04502	0.3
84.08105	0.2
85.02889	3.4
86.09684	0.2
91.03927	0.1
91.05457	0.2
93.03398	0.3
95.04945	0.5
97.02885	1.2
99.04395	0.2
106.06558	0.2
107.04929	0.2
109.02873	1.0
110.06017	0.2
111.00756	1.1
111.13508	0.1
115.05415	0.1
117.06969	0.2
119.04908	0.2
120.04449	0.5
120.08094	0.4
121.02853	1.2
122.05991	0.3
123.04404	0.9
124.07582	0.3
127.03886	1.0
134.05948	0.2
135.04393	0.3
136.07555	0.3
137.02316	4.4
137.03358	0.3
137.05904	0.3
139.03868	0.4
140.07050	0.6
141.07813	0.3
142.08630	1.1
145.02827	0.2
145.04933	0.5
145.06442	0.1
147.04396	0.3
149.02310	0.5
149.05931	0.2
151.03859	0.4
152.07034	0.2
153.01791	5.2
155.04916	0.3
159.04446	0.2
161.05962	0.4
162.05475	4.8
163.03882	1.1
164.07080	0.2
165.01797	2.8
166.02550	0.2
166.05643	0.1
167.03395	0.2
173.05914	0.7
177.05440	0.5
179.03294	0.3
183.02846	1.2
183.04399	0.5
187.03880	0.7
191.03349	0.2
195.02831	0.4
201.05446	2.7
205.04854	0.2
207.02847	0.2
213.05501	0.2
213.10165	0.2
215.03439	0.2
216.10263	0.2
219.02966	0.1
219.06538	0.4
228.04225	0.3
229.04922	5.9
230.05287	0.2
239.03357	0.2
243.11153	0.2
245.04472	0.2
247.06013	0.8
255.11131	0.2
257.04410	3.8
258.04852	0.3
261.12347	0.4
274.04758	1.0
275.05438	0.4
279.13419	0.3
285.03888	1.7
285.12277	0.3
286.10565	0.2
299.05045	0.1
302.04230	0.2
303.04938	100.0
303.13254	3.3
304.05276	3.5
304.08542	0.3
315.04877	0.5
315.13293	0.4
316.14371	0.2
327.04788	0.2
332.96854	0.2
343.12958	0.2
345.05978	0.5
399.15436	0.4
429.16455	0.6
447.17587	1.2
465.10144	1.4
465.18701	1.1
486.07611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
53.03923	0.8
55.01862	8.0
61.02898	1.5
65.03934	1.0
67.05490	1.2
68.99780	2.2
69.03429	1.6
71.67821	0.9
71.68228	1.1
74.86391	0.8
77.03897	1.5
81.03369	1.1
83.01322	2.0
84.08102	1.0
85.02893	8.3
91.05456	1.4
95.04945	2.3
97.02874	1.4
98.58892	0.8
99.21397	1.0
105.03376	2.4
107.04932	1.2
109.02853	2.7
111.04393	1.6
119.04906	4.4
121.02870	1.8
122.02640	1.3
123.04407	100.0
124.04745	2.9
127.03863	1.4
131.04890	1.2
133.02798	1.4
135.04407	6.5
137.02249	4.0
139.03877	10.7
141.01788	3.0
143.04861	1.1
147.04369	9.8
149.02295	3.6
149.05939	1.6
151.03899	7.4
153.01790	2.4
155.03410	1.1
161.05948	2.1
163.03873	7.5
165.01825	5.3
165.05417	4.3
172.98955	0.9
175.03912	1.6
177.01842	3.7
177.05383	4.6
179.03369	8.3
181.04936	1.2
182.37061	0.8
183.02861	17.1
187.03915	2.4
189.05461	1.5
191.03363	4.5
191.42554	0.8
195.02859	3.4
201.05437	0.9
203.03398	2.6
205.01338	3.0
205.04918	5.4
207.02834	10.1
209.04449	0.9
213.05391	1.2
215.03317	2.2
217.04912	1.4
219.02892	1.4
221.04439	3.4
223.02351	12.1
229.04967	1.4
231.02939	1.3
233.04411	9.7
235.02263	2.4
237.03868	1.3
243.02957	1.2
249.03914	6.6
256.06033	1.6
257.04419	1.0
261.03912	10.5
265.03375	0.9
267.04926	16.8
267.11343	0.9
277.03369	1.9
279.04922	5.7
281.04645	1.0
287.05554	0.9
289.03503	1.6
293.04364	1.4
295.04361	5.0
297.06012	15.1
299.05432	2.2
303.04984	5.1
307.04483	1.1
313.05475	19.6
317.06647	1.5
325.05334	2.3
327.05130	0.9
339.08679	0.9
341.06778	1.2
359.07578	4.1
369.05838	1.2
393.06076	1.7
401.08755	2.2
411.07010	4.5
419.09476	1.7
429.08044	5.1
446.59839	0.9
447.08975	3.6
465.10373	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	465.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.0
56.96551	2.6
59.35154	1.1
68.99784	2.2
69.03425	1.3
70.03405	6.0
70.06577	3.3
73.02901	1.4
81.03393	2.1
85.02878	5.8
95.04969	2.7
96.37057	1.4
97.02882	2.4
105.03328	1.6
107.04932	2.0
109.02892	2.7
111.00799	2.2
111.04384	1.6
117.51917	1.3
119.04951	1.8
121.02815	1.7
122.02687	2.3
123.04414	100.0
124.04762	2.2
127.03905	11.9
131.04912	1.6
135.04399	12.9
137.02354	2.1
139.03906	12.5
147.04347	7.2
149.02275	3.9
151.03871	3.8
157.69116	1.2
158.67053	1.4
159.04466	1.6
161.06026	2.0
163.03893	19.7
164.04228	1.4
165.01785	5.0
165.05498	2.3
165.81532	1.1
167.03412	2.9
169.04851	1.1
175.03929	1.5
177.01846	6.0
177.05424	3.0
179.03424	8.5
183.02882	4.4
187.03891	1.9
189.05536	1.6
191.03342	5.9
195.02905	4.6
201.05365	1.7
203.03418	4.6
205.04994	3.8
207.02922	4.4
215.03352	1.8
217.04971	1.8
219.02927	6.3
221.04402	2.6
223.02348	11.1
229.04930	1.4
231.02913	3.0
232.19135	1.2
233.04492	6.1
245.04700	2.5
249.03929	2.6
253.04933	1.3
255.01859	1.9
255.06424	1.8
256.06104	2.3
257.04449	1.6
261.03873	5.3
267.04932	4.8
271.05969	28.2
272.06641	10.7
279.04950	11.1
289.07138	2.0
295.04425	3.6
297.06094	8.5
299.05603	1.8
303.04941	8.1
307.04608	1.9
313.05493	4.0
319.04529	1.8
323.05124	1.5
325.05429	9.5
411.01520	1.4
411.06766	3.4
429.08008	4.2
447.09033	2.9
465.09378	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	465.1385
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
51.70182	0.6
53.03941	1.4
55.01852	1.2
55.05505	0.7
57.03432	1.4
61.02908	0.9
67.01857	1.6
67.05497	0.7
68.99771	1.6
69.03416	4.4
70.06586	1.4
70.12844	2.1
70.13258	1.0
71.04986	0.6
72.22624	0.6
73.02906	5.6
79.05482	0.9
81.03403	1.8
81.07049	2.1
83.04960	0.9
83.71646	0.6
84.08088	0.5
85.02898	11.2
87.04452	0.7
89.03908	1.7
91.03931	0.7
91.05495	1.3
93.07019	1.4
95.04958	1.4
95.08586	1.0
95.27263	0.5
97.02874	3.1
99.04458	1.2
100.23435	0.6
104.07094	1.0
105.07001	1.0
107.08622	1.4
109.02861	2.6
109.10136	1.1
111.00808	2.0
111.04454	0.7
117.03358	5.9
119.08580	1.5
120.01123	0.8
121.02841	1.6
121.06441	0.9
121.10125	1.0
123.04415	2.3
123.08052	0.7
125.02354	0.7
125.05947	1.3
127.03914	2.6
131.08553	1.1
133.10112	0.6
135.04340	0.9
137.02296	4.0
137.05960	2.7
145.02826	22.0
145.04889	0.9
145.06465	1.0
149.06006	2.7
151.03842	1.0
151.07512	1.9
153.01802	64.2
154.02205	0.7
163.03867	3.2
165.01790	4.0
171.02861	11.5
173.09518	0.7
173.13367	0.6
177.05438	31.0
179.03368	6.1
183.02896	1.5
187.03728	0.7
189.12749	0.7
195.02895	4.1
201.05441	2.5
205.04898	0.7
216.75378	0.6
219.02869	1.8
219.06485	0.9
229.04932	4.9
231.02895	0.8
241.13310	0.8
249.03708	0.6
257.04401	3.4
261.03958	1.1
274.04782	0.8
285.03976	1.4
285.07443	0.8
285.12323	1.2
301.07007	0.9
302.07315	0.7
303.04953	100.0
303.08609	82.5
304.05331	4.0
304.08972	2.2
315.08502	1.3
411.29474	0.7
465.08282	1.1
465.14935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.3
55.05503	20.2
57.03426	7.9
57.07069	9.7
61.57090	1.1
67.05492	8.4
69.07053	19.4
71.08609	5.0
71.69875	1.8
71.70271	1.3
72.08209	1.2
73.02908	6.5
79.05480	5.4
81.07040	11.3
83.08609	21.0
85.02888	2.7
85.10163	2.5
91.05450	2.9
93.07026	6.2
95.08597	6.3
97.06509	3.0
97.10160	12.3
98.97807	2.6
98.98449	47.7
99.08063	1.1
107.08566	2.8
109.10128	4.8
111.08060	1.4
111.11704	4.1
116.99498	2.0
121.10120	7.1
123.11689	2.0
129.05423	1.9
130.88283	1.1
135.11699	6.8
135.99915	1.1
136.99998	3.1
153.12744	1.2
155.01012	38.8
172.50703	1.3
176.55316	1.1
219.21059	3.2
229.04742	3.3
237.22098	9.3
303.04904	21.3
304.05255	1.9
305.65109	1.2
311.25745	100.0
312.26184	5.0
348.65170	1.2
415.42133	1.1
447.24994	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	465.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58670	2.3
55.01864	16.2
55.05506	24.0
57.03433	14.7
57.07063	8.2
63.79001	1.8
67.05495	15.8
69.03417	2.1
69.07060	29.8
69.47491	18.2
69.47905	2.8
71.08604	8.5
73.02901	7.7
79.05486	6.9
81.07041	13.2
83.08608	27.2
85.02895	6.4
85.10137	3.3
91.05474	2.6
93.07036	8.3
95.08578	9.4
97.06491	6.0
97.10168	16.5
98.98454	60.1
101.80572	1.9
102.68137	2.0
107.08611	4.9
109.10133	5.6
111.08086	2.3
111.11698	2.6
121.10129	7.4
129.05460	4.6
135.11685	5.7
136.99969	4.5
153.01848	2.3
155.01010	46.9
155.67180	2.1
180.13469	2.0
229.04875	5.1
232.18497	2.5
237.22124	8.6
303.04892	32.1
304.05246	4.0
311.25763	100.0
320.97473	2.0
447.25409	13.1
465.18893	2.5
472.50659	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	465.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.2
55.01856	3.7
55.05503	27.2
57.03429	11.3
57.07063	2.6
61.02922	1.8
65.03919	5.0
67.05493	70.3
68.80548	1.6
69.03401	5.3
69.07063	26.8
70.06575	1.9
70.73287	2.3
70.73632	4.8
71.04980	9.5
79.05479	38.5
81.03406	5.2
81.07042	89.8
83.04954	8.2
83.08611	20.1
84.04474	2.6
85.02886	12.4
85.06520	7.0
87.04478	2.3
88.07599	2.4
89.29684	1.6
91.05458	27.7
93.07032	46.2
94.07327	1.9
95.04952	10.1
95.08588	55.5
97.02858	3.3
97.06511	13.9
97.10165	3.3
98.49398	1.7
99.08056	5.4
102.53278	1.7
105.04362	1.5
105.07016	23.3
107.08581	24.8
109.06487	6.3
109.10137	10.0
111.08092	8.7
115.05495	2.0
117.06993	8.6
119.08549	22.9
121.06519	2.6
121.10133	17.3
123.08054	3.6
125.09606	2.1
127.03890	2.4
129.06985	2.0
131.08539	8.6
133.10109	14.7
135.08049	3.1
135.11665	14.3
135.40819	1.8
137.02336	4.0
137.09610	2.8
137.13235	2.9
143.08476	2.3
145.10118	4.9
147.11713	2.3
149.02316	7.0
149.13246	26.0
153.01831	4.1
157.10083	2.4
159.11653	7.7
161.13243	15.4
165.01851	2.4
177.12706	4.5
179.14224	9.0
185.13214	2.0
193.04965	7.1
195.13780	10.5
229.04918	6.6
237.07555	6.1
253.17943	25.1
256.26276	4.0
257.04321	2.8
269.17419	17.6
271.71780	1.9
272.15384	2.0
303.04941	100.0
304.05292	10.4
333.28381	1.8
355.26297	2.0
373.27585	2.5
447.30884	14.2
465.32230	26.5
466.31973	10.1
489.09995	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	465.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49779	2.5
55.05503	39.6
57.07064	19.0
59.04998	3.2
64.29801	2.8
65.03926	4.0
67.05138	5.4
67.05495	100.0
69.07050	37.5
71.04987	4.6
71.08617	17.5
71.69986	4.0
75.13568	2.7
77.10681	3.0
79.05482	5.4
81.07037	20.2
83.08607	42.5
85.10175	9.3
91.05479	8.7
95.08595	8.4
97.10158	29.8
99.00774	3.4
99.04446	4.6
107.08590	3.3
109.06447	2.8
109.10138	78.6
111.04442	3.0
111.08062	3.0
111.11702	8.1
119.08580	6.8
125.13255	4.3
137.05951	3.9
139.03876	43.7
153.05420	3.8
155.10654	4.2
169.04865	4.6
173.11713	36.0
181.04922	57.3
227.22665	2.8
465.35706	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	19.6
57.07060	24.5
67.05487	57.2
69.07051	30.3
71.08622	19.5
71.41238	34.4
83.08595	24.1
85.10173	16.8
96.52634	14.6
97.10141	20.8
109.10142	37.6
111.04423	19.9
127.03912	14.3
139.03871	15.1
153.05487	93.1
193.86302	13.0
199.05962	100.0
303.05017	18.8
325.20020	17.6
378.14719	13.4
387.96600	12.1
426.49152	14.0
465.35504	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85510	1.5
53.03927	5.1
55.01862	8.7
55.05488	1.8
57.03410	4.6
61.02901	3.1
67.05494	10.1
68.99766	2.5
69.03407	25.3
69.07045	1.6
69.70421	6.8
69.70856	6.7
70.06564	3.2
71.04961	3.7
73.02884	5.6
73.38952	1.6
79.05464	2.4
81.03401	25.9
81.07027	6.8
82.92318	1.6
85.02889	61.5
87.00819	24.3
87.04478	2.5
91.03956	2.1
93.07022	3.3
95.04964	2.3
95.08598	8.5
97.02879	38.8
99.04458	12.1
103.23791	1.7
105.01855	23.6
108.04426	2.7
109.02859	30.3
109.10130	45.2
117.01797	3.8
119.08549	3.3
121.10088	3.5
124.03878	1.6
125.06001	4.3
126.05482	2.9
127.03888	47.6
129.01804	2.4
137.09589	61.0
138.09984	2.2
145.04922	18.9
146.95694	1.7
147.07965	3.4
150.92778	1.8
153.01785	2.9
155.10626	24.0
156.34024	1.5
156.83829	1.5
158.49631	1.6
159.02881	12.5
165.09100	63.8
183.10130	34.3
201.11189	100.0
213.03912	8.6
219.12238	2.9
231.04956	9.0
257.04550	1.9
303.04904	17.2
304.05289	38.7
395.13446	3.1
431.15204	1.9
475.12598	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27664	2.4
52.72653	2.6
53.03918	2.3
55.05499	10.1
57.03420	5.0
58.06585	3.7
67.05499	23.3
69.03420	9.8
69.07066	11.5
70.06580	4.0
71.70467	4.5
73.15664	2.1
79.05485	15.8
81.03391	4.0
81.07043	30.4
83.04971	5.2
83.08601	7.8
84.04462	2.8
85.02909	13.1
85.06531	2.6
86.09697	5.2
90.80420	2.3
91.05461	8.7
92.22498	2.4
93.07036	17.8
95.04978	4.8
95.08588	7.6
97.02878	5.0
97.06518	4.9
99.04464	2.6
99.08151	2.5
100.11243	14.1
103.86024	2.5
105.07022	7.5
107.04955	4.1
107.08582	14.8
109.02791	2.6
109.06496	3.9
109.10138	7.1
111.04419	4.5
117.06995	4.3
118.49890	2.6
119.08547	4.2
121.10146	9.1
122.07143	4.1
122.09709	2.6
123.04433	9.4
123.11634	2.8
127.03906	4.8
131.08566	6.1
133.06499	2.8
133.10091	5.5
135.11671	5.5
137.02336	3.4
140.10692	4.0
145.10191	2.8
149.13229	19.6
153.01860	3.7
159.08049	2.5
159.11699	9.0
168.10187	4.6
168.13864	4.5
168.27835	2.9
177.12729	5.5
182.15401	6.7
184.07321	6.0
194.01389	2.4
195.13808	6.6
196.13329	8.0
209.16484	2.7
210.14922	8.2
216.10535	2.3
229.05035	2.4
230.05153	3.1
257.04453	2.7
269.17450	100.0
270.17886	3.2
303.04944	27.1
304.05313	46.4
305.05310	3.8
318.76669	2.3
324.63028	2.7
331.74463	3.3
466.19867	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	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52063	0.4
53.03928	1.3
54.00497	0.4
55.01854	2.0
55.05505	1.6
57.03430	3.9
57.07057	2.1
61.02920	3.1
61.03178	0.5
64.69547	0.4
64.69946	0.5
65.03922	0.5
67.05488	6.1
69.03417	8.4
69.07061	4.0
69.46127	4.8
70.06581	0.9
71.01340	1.1
71.04972	1.1
73.02908	11.4
79.05483	8.8
81.03399	3.0
81.07041	100.0
81.63161	0.5
82.07382	1.2
83.04963	1.0
83.08611	0.8
84.08110	0.6
85.02892	21.7
85.06512	0.8
86.09689	1.4
87.00841	0.5
87.04449	0.8
91.03942	1.0
91.05468	1.7
93.07023	3.5
95.04939	1.0
95.08588	17.9
97.02875	13.3
99.04444	1.4
100.02532	0.4
103.03909	0.9
105.07039	1.0
107.08547	2.2
109.02866	2.4
109.06530	0.6
109.10140	2.0
111.04449	0.7
111.08092	0.5
115.03922	6.4
117.07000	0.8
117.29332	0.5
119.08563	1.6
121.06467	0.7
121.10154	0.9
123.08107	0.5
123.11678	0.7
127.03899	7.7
131.08556	0.7
133.04941	9.5
133.10132	1.4
135.08025	0.5
135.11682	1.3
136.04774	0.5
137.05963	0.7
137.13231	23.9
138.13565	0.6
139.03899	0.5
139.14615	0.5
143.08514	0.4
145.04938	11.3
145.10112	0.9
147.11574	0.4
149.13272	1.1
150.07562	0.8
153.01865	0.5
157.04991	0.5
159.11697	2.4
163.06018	3.1
177.11301	0.5
177.12723	2.0
179.14272	0.6
184.07344	1.6
185.07651	0.8
193.04939	0.8
195.13753	0.7
199.06081	0.5
201.16406	0.7
217.06961	0.7
223.06082	2.3
223.08058	0.5
234.09552	0.4
241.07014	2.2
243.84169	0.5
251.16269	0.5
259.08130	2.8
269.17465	6.1
277.09253	1.0
295.10190	1.5
303.04800	2.3
304.05255	8.0
305.05466	0.8
313.11789	0.5
466.19351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.5
57.03427	25.7
59.04987	3.6
61.02926	5.9
67.05495	32.8
69.03421	66.3
69.07053	20.7
69.68999	10.5
69.69424	13.6
71.04977	6.7
73.02882	4.9
77.98797	2.9
79.05489	16.8
81.03427	5.9
81.07045	76.5
83.04964	12.6
83.08603	11.9
85.02894	61.2
85.06552	3.5
87.04456	44.0
88.87769	3.3
91.05478	12.2
93.07030	36.2
95.04958	9.8
95.08598	27.4
97.02881	54.9
97.06516	3.8
98.21395	5.7
105.07026	11.7
107.08571	19.8
109.02887	4.3
109.06490	3.1
109.10137	11.3
111.08076	3.5
111.11736	4.7
115.03916	52.8
117.06989	7.5
119.08552	12.3
121.06496	4.3
121.10107	18.7
123.04449	4.7
123.11669	12.6
127.03928	10.2
131.08574	9.1
133.04945	59.8
133.10078	9.2
135.11690	9.7
137.06000	3.8
137.13235	27.1
145.04988	5.1
145.10135	6.3
147.11676	10.4
149.13243	22.5
150.07573	5.8
151.07368	3.0
155.14207	3.4
159.11690	9.7
161.13307	3.9
165.12721	5.0
173.08022	5.0
173.13226	5.5
175.14755	4.6
177.12738	8.0
179.14188	6.9
195.13815	4.7
269.17462	100.0
275.15045	3.2
303.04895	12.4
304.05328	34.2
305.05817	4.3
313.10730	3.3
407.68506	3.3
467.23074	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	467.1542
Annotation	CHEBI:68328
Peak:m/z	Relative Intensity
53.03935	0.9
55.01823	0.7
65.03927	1.0
67.05479	2.3
68.99764	1.9
69.03432	0.7
70.06554	0.9
70.15212	2.5
70.15578	0.9
72.08145	0.8
79.05482	2.7
81.03389	0.8
81.07021	1.0
85.02884	2.1
87.05582	0.7
87.09206	1.2
91.05457	1.2
94.04161	1.8
95.04955	3.8
97.02758	0.5
105.03323	0.6
107.04979	0.6
109.06480	1.5
111.04449	0.7
119.04914	5.1
123.04403	26.7
125.05959	1.4
135.04427	0.6
137.05959	1.4
139.03874	1.4
141.05405	3.9
141.34525	0.5
147.04378	17.2
148.04747	0.5
151.03865	0.6
153.05435	100.0
154.05812	2.4
163.03900	0.7
165.05449	18.2
166.05637	0.5
177.05515	0.6
183.06493	1.2
195.06493	1.3
287.08984	1.2
305.06540	1.0
305.10126	18.7
315.10907	0.7
317.13776	0.6
427.41650	0.6
467.09882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	0.4
56.96498	20.7
56.96809	1.8
65.31695	0.4
67.05458	0.5
69.07024	0.4
71.04970	1.2
71.95261	2.3
72.95973	1.5
74.97585	0.3
77.01563	0.4
79.05401	0.4
81.06990	1.0
83.04888	0.5
84.95992	0.6
89.81277	0.3
93.07034	0.4
95.04935	0.4
95.08526	0.5
97.96790	0.7
105.06958	0.5
107.08539	0.7
109.10130	0.5
110.97529	0.8
119.08398	0.4
123.01146	0.8
128.98482	0.7
133.06432	0.5
133.10045	0.5
137.02577	0.5
138.98346	0.4
146.99583	0.8
155.03712	0.7
163.71074	0.4
169.05214	0.5
179.07321	0.4
183.06802	0.4
184.35663	0.4
195.06789	0.5
223.09911	3.1
235.09996	2.4
241.11087	29.8
253.11078	56.1
254.11592	0.8
259.12143	42.3
260.12463	0.9
264.12650	2.5
271.12128	100.0
272.12393	2.2
276.12698	2.3
282.13748	2.8
289.13141	5.2
294.13727	14.7
312.14609	0.5
467.20575	0.4
467.26791	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	467.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	1.2
55.05507	12.7
57.03432	1.7
57.06799	1.9
57.07067	34.9
59.04980	3.8
63.02868	0.9
67.05495	100.0
69.07055	9.6
71.04980	2.7
71.08620	25.6
79.05476	3.2
81.07043	29.7
82.13235	1.1
83.08614	15.9
85.06529	2.5
85.10173	13.4
91.05466	6.4
91.57853	1.0
93.07018	4.0
95.08591	24.4
97.10142	4.9
99.08101	1.5
99.11741	1.4
107.08597	1.4
109.10138	82.1
110.10490	1.8
111.08050	3.2
119.08541	5.4
123.11684	4.7
123.93366	1.3
137.09592	3.6
137.13252	2.4
155.10652	5.0
167.65248	1.0
173.11719	26.4
219.57167	1.0
239.23647	7.8
268.21179	1.2
355.86795	1.4
467.37268	79.4
468.37637	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	467.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01624	1.0
53.24463	1.1
55.05499	10.2
57.07064	37.3
59.04992	5.5
65.03922	2.1
66.35780	1.1
67.05495	100.0
69.07058	9.0
70.88083	1.3
71.04968	1.3
71.08253	1.6
71.08624	22.5
79.05486	3.3
81.06606	1.8
81.07043	23.1
83.08617	12.8
84.13967	1.3
85.06512	2.8
85.10179	13.4
91.05457	7.1
91.55735	1.0
93.07012	3.9
95.08594	27.0
97.10140	6.9
109.10140	78.2
110.10474	1.1
111.08078	2.9
111.11670	1.3
119.08577	4.6
123.11707	4.6
130.08597	0.9
135.99925	1.0
137.09584	4.7
155.10652	4.3
173.11711	26.8
233.28888	1.1
239.23691	8.1
278.70996	1.0
304.55865	1.0
357.21875	1.1
467.37289	84.7
468.37973	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.6
57.03419	1.7
57.07069	34.0
59.04984	4.1
65.03928	3.3
67.05495	100.0
67.34388	1.3
69.07063	10.6
69.15394	1.3
71.04979	3.7
71.08621	26.6
71.67973	1.4
79.05473	3.1
81.07047	31.5
83.08598	18.0
85.06520	3.4
85.10169	16.0
89.06001	1.7
91.05463	6.2
93.07025	3.2
95.08590	27.6
97.10133	3.1
99.11681	1.5
101.91216	1.4
107.08591	2.6
109.10138	80.1
110.10478	1.3
111.08062	2.5
111.11683	2.5
119.08589	4.2
123.11691	5.0
137.09607	3.6
137.13228	3.2
155.10663	4.8
164.71887	1.4
173.11719	25.6
173.13101	2.5
178.17657	1.3
239.23650	7.6
467.37363	83.2
468.38229	2.3
489.92813	1.5
492.46927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01865	2.0
55.05503	2.6
55.77356	1.3
60.07222	1.3
63.90478	1.3
67.05495	21.5
69.03423	1.7
69.07029	2.3
70.06586	3.1
71.04973	2.8
71.70148	2.0
72.08148	7.7
73.02920	2.1
78.57701	1.3
81.07049	17.8
84.08119	3.0
85.02889	2.5
86.09750	1.7
89.03889	1.8
91.05463	4.1
93.07030	4.7
95.04952	3.2
95.08582	9.2
97.06535	2.1
107.08568	2.8
109.06493	1.8
109.10137	73.2
110.10438	1.8
111.04387	1.9
112.11234	2.4
113.09620	1.4
117.03316	7.9
119.04924	5.6
119.08562	3.7
121.10150	3.1
123.11681	2.4
124.03950	2.8
125.05989	2.9
125.09592	2.4
127.03897	2.0
129.13815	2.2
137.09590	100.0
140.34485	1.4
145.02821	21.8
146.16486	1.6
147.04388	28.4
149.13235	2.3
155.10648	17.4
165.09091	77.6
166.09451	2.3
167.14310	8.0
177.05444	26.4
181.23102	1.5
183.10117	10.5
185.15327	15.0
201.11200	35.2
201.13008	1.9
204.10162	17.2
205.62392	1.6
234.11317	4.0
248.12871	1.5
255.12247	5.7
275.17456	2.5
279.12091	3.8
283.11676	25.5
288.14713	1.5
292.20139	5.9
297.13306	17.8
299.05371	1.7
301.12772	16.4
315.14203	2.0
322.21176	6.5
376.88806	1.9
415.15915	2.8
451.22400	6.6
468.18567	2.4
468.24921	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	468.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01865	2.0
55.05503	2.6
55.77356	1.3
60.07222	1.3
63.90478	1.3
67.05495	21.5
69.03423	1.7
69.07029	2.3
70.06586	3.1
71.04973	2.8
71.70148	2.0
72.08148	7.7
73.02920	2.1
78.57701	1.3
81.07049	17.8
84.08119	3.0
85.02889	2.5
86.09750	1.7
89.03889	1.8
91.05463	4.1
93.07030	4.7
95.04952	3.2
95.08582	9.2
97.06535	2.1
107.08568	2.8
109.06493	1.8
109.10137	73.2
110.10438	1.8
111.04387	1.9
112.11234	2.4
113.09620	1.4
117.03316	7.9
119.04924	5.6
119.08562	3.7
121.10150	3.1
123.11681	2.4
124.03950	2.8
125.05989	2.9
125.09592	2.4
127.03897	2.0
129.13815	2.2
137.09590	100.0
140.34485	1.4
145.02821	21.8
146.16486	1.6
147.04388	28.4
149.13235	2.3
155.10648	17.4
165.09091	77.6
166.09451	2.3
167.14310	8.0
177.05444	26.4
181.23102	1.5
183.10117	10.5
185.15327	15.0
201.11200	35.2
201.13008	1.9
204.10162	17.2
205.62392	1.6
234.11317	4.0
248.12871	1.5
255.12247	5.7
275.17456	2.5
279.12091	3.8
283.11676	25.5
288.14713	1.5
292.20139	5.9
297.13306	17.8
299.05371	1.7
301.12772	16.4
315.14203	2.0
322.21176	6.5
376.88806	1.9
415.15915	2.8
451.22400	6.6
468.18567	2.4
468.24921	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	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
55.01857	4.1
55.05489	8.8
66.68584	2.8
67.05490	18.8
69.03414	3.9
69.07041	2.9
70.06570	5.3
70.87415	6.0
70.87790	5.1
71.04966	5.7
72.08132	10.8
76.95090	2.4
77.65461	2.1
79.05486	2.5
81.07023	16.0
83.04964	47.8
85.02879	3.8
91.05466	7.5
93.07033	6.6
95.04926	5.3
95.08585	11.3
97.02897	2.6
99.04442	3.5
100.07645	2.5
101.05997	13.2
106.04966	3.1
107.08570	3.6
109.06510	4.5
109.10138	69.7
112.11211	5.0
117.03339	8.3
119.04917	12.2
119.08588	6.5
121.10133	3.4
123.04383	4.2
124.03938	8.0
125.05973	3.2
129.13889	5.5
135.04379	2.6
137.09590	100.0
145.02820	35.7
147.04378	51.7
147.07994	4.0
148.04752	2.4
149.05969	2.8
155.10632	18.6
165.09094	59.8
177.05431	47.5
183.10129	10.8
201.11192	37.9
204.10167	20.0
211.26892	2.4
234.11198	12.2
243.14841	3.0
248.12711	5.5
269.13235	5.8
270.13110	14.3
279.12216	3.0
283.15366	4.2
287.13983	4.9
288.14117	7.1
292.20050	9.8
297.13223	26.8
303.05087	3.5
303.13235	2.8
304.05219	3.2
315.14630	2.7
322.21075	9.9
380.34177	2.8
415.19556	48.0
451.22113	7.3
468.10104	3.5
468.25128	45.1
469.25046	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	1.8
62.23024	0.6
65.03932	0.9
69.15339	0.7
70.06561	1.3
71.01849	2.3
72.07769	1.4
72.08144	22.3
75.09225	1.7
81.03382	0.9
81.07053	1.0
84.08141	3.8
85.02904	1.4
89.03909	6.0
91.05450	8.1
100.07613	0.9
109.10118	2.0
112.11221	10.2
117.03362	23.7
119.04929	18.1
129.13849	6.3
134.03596	1.0
135.04385	1.2
136.07494	0.8
137.09595	2.2
145.02820	64.6
146.16507	6.5
147.04384	89.1
148.04758	1.1
149.05933	6.7
155.11792	3.3
163.03804	1.0
165.09048	1.9
177.05440	91.1
178.05827	2.1
186.05467	1.8
201.11230	1.0
203.11768	1.0
204.10167	42.2
205.10559	1.2
208.33826	0.8
210.55307	0.9
218.11757	2.8
221.12823	1.5
228.45670	0.7
234.11218	17.7
248.12761	6.0
274.18945	1.0
275.17532	4.7
277.15314	0.9
287.02542	0.8
292.20132	21.5
303.05045	1.7
304.05341	2.5
305.05563	1.1
305.18622	3.3
306.05896	4.3
318.18082	1.1
322.21225	19.1
322.24805	0.6
451.22327	16.4
468.24875	100.0
469.16330	0.8
469.25186	4.8
470.01434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
54.76105	0.7
55.01852	1.6
55.05515	4.7
56.05018	3.1
57.07053	2.5
60.04507	1.9
65.03951	0.9
65.68272	1.0
67.05495	14.6
69.03430	4.4
69.07045	1.9
71.04965	2.5
71.08609	1.2
71.70385	1.3
75.86147	0.7
78.22350	0.7
79.05478	12.6
80.04981	2.2
81.03403	1.1
81.05775	2.7
81.07051	10.9
82.06561	5.0
83.08597	3.4
85.06538	1.9
86.83157	0.8
87.04444	3.4
89.05996	3.4
91.05463	5.8
93.06429	1.1
93.07027	19.8
94.06551	17.8
95.04932	3.0
95.08583	17.9
95.83070	0.7
96.08111	3.1
97.06528	5.7
97.10120	1.9
100.22307	0.9
103.05340	0.9
105.07017	11.9
107.07342	4.4
109.10134	2.6
110.09657	9.0
111.08058	11.5
118.36935	0.7
122.09648	35.7
122.10541	1.9
123.08045	26.6
128.10692	34.4
133.08641	1.1
133.10094	2.2
140.10677	100.0
141.09082	10.0
141.10938	1.3
158.11754	11.0
173.11742	1.0
177.11246	1.0
177.49445	0.8
283.17505	1.6
310.30994	1.3
328.31958	4.0
420.38611	1.2
432.38242	0.9
438.39371	4.7
450.39258	11.4
468.39804	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	469.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.01864	2.9
55.05508	1.5
57.03413	1.3
61.02911	2.1
67.05482	3.5
68.99779	3.2
69.03419	2.3
69.07041	1.9
69.89059	5.1
70.06588	1.0
71.04982	1.1
72.08102	0.8
79.05471	1.0
81.03405	3.2
81.07036	2.9
83.04971	1.7
85.02892	6.1
87.00802	3.3
91.05458	2.9
91.95702	0.8
93.07037	1.8
95.08607	2.7
97.02873	3.4
105.07025	3.1
107.08575	2.3
109.02872	1.1
109.10151	2.0
111.04425	3.9
115.05386	1.2
115.53303	0.9
116.61684	0.8
117.54343	0.8
119.08530	1.8
121.06480	1.2
121.10138	1.2
123.04439	1.8
124.21970	0.8
127.03900	1.7
129.01822	2.3
135.11604	1.0
145.10089	1.4
153.06892	0.9
157.10088	1.1
161.13266	0.9
165.06964	2.3
167.08540	1.2
167.63997	0.8
171.08096	1.3
173.63927	0.9
175.07512	1.7
179.08534	2.1
180.09282	1.2
181.06560	1.3
182.07266	1.3
184.08757	1.6
189.03983	1.4
189.07111	1.3
191.08452	2.5
192.09206	1.1
194.07246	2.8
195.08044	5.0
196.08755	6.5
197.06093	1.4
197.09589	2.1
202.07710	2.2
203.08572	3.0
204.09380	1.8
205.10083	3.0
206.07320	1.0
206.10902	1.3
207.08037	3.7
208.08804	4.5
209.09531	3.0
211.07515	1.1
211.11166	1.5
212.08240	4.8
213.08984	1.5
215.08609	2.8
216.09265	1.6
217.10068	2.7
219.07997	4.0
220.08858	3.3
221.09654	1.7
222.10403	2.9
223.07506	1.0
223.11177	3.3
224.08325	3.2
225.09053	4.3
226.09895	1.2
227.08510	1.7
227.10591	14.8
228.09203	2.1
229.10152	1.7
231.08034	1.9
232.08627	2.3
233.09561	5.3
234.10384	3.6
235.07472	4.8
235.11133	3.7
236.08273	1.5
237.09077	5.6
237.12668	6.2
238.09822	2.0
239.06894	1.2
239.10616	4.6
240.07785	2.1
240.11459	2.7
241.08566	12.7
243.08037	1.6
244.08754	2.3
245.09653	4.5
246.10425	1.0
247.07443	1.9
247.11125	4.3
248.08296	3.1
248.11830	2.5
249.09035	3.1
249.12746	1.5
250.09827	12.1
251.10611	6.9
252.07700	1.2
252.11343	1.4
253.08528	2.0
253.12090	5.0
255.10083	12.5
256.10898	29.5
258.10342	1.5
259.11108	3.3
260.11844	1.6
261.09119	6.4
262.09848	4.8
263.06976	4.2
263.10657	7.7
264.08115	1.1
264.11377	3.9
265.08612	5.8
265.12042	6.4
266.09238	1.5
266.12881	1.0
267.10034	6.6
267.13849	2.9
269.11652	4.2
271.07712	1.1
271.11035	1.5
272.08188	2.1
273.09146	2.9
273.12662	1.2
274.09769	1.4
275.10651	2.6
276.11298	6.2
277.09009	2.0
277.12195	5.2
278.09326	13.7
279.10117	7.6
280.10904	7.5
281.11639	3.5
283.09592	6.6
286.09402	1.3
287.10605	6.5
288.08389	1.0
288.11282	4.5
289.08536	5.8
289.12070	3.2
290.09387	2.4
291.10077	3.1
291.13779	6.7
292.10852	2.0
293.11639	24.7
294.12180	4.6
295.09576	3.3
295.13248	8.8
301.08673	1.8
301.12225	2.5
302.09320	1.0
303.10153	2.3
304.10815	7.2
305.11633	6.2
307.09607	3.0
307.13000	1.6
308.10269	1.6
309.11243	1.4
309.14722	1.4
315.10019	4.4
316.10864	4.8
317.08084	2.4
319.10175	1.3
319.13223	33.5
320.13754	1.9
321.11148	8.8
322.11877	3.7
323.12698	12.4
332.10245	9.1
333.11081	3.1
334.11951	3.7
335.08969	1.6
335.12643	2.1
337.14249	4.8
347.12714	45.8
348.13217	2.4
350.11401	6.0
365.13766	100.0
366.14224	5.0
383.14990	2.0
391.11691	2.4
409.17377	2.7
433.12564	1.7
451.13818	1.8
469.14868	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99421	4.1
53.03927	7.5
53.30577	4.8
55.01848	9.5
55.05497	27.3
57.03415	9.6
57.07053	5.2
67.05482	36.7
69.03419	25.1
69.07058	26.6
71.04958	5.8
71.22582	11.2
72.40416	4.2
73.02879	4.6
79.05484	23.6
81.03409	31.7
81.07040	73.2
83.04963	32.5
83.08599	16.4
85.02888	36.5
85.06532	10.3
87.00810	14.7
91.05461	43.1
93.07025	100.0
95.04950	26.6
95.08587	62.8
97.02856	20.1
97.06521	8.1
98.35164	4.3
99.04440	11.9
100.11214	9.9
103.03918	4.7
103.05424	4.5
105.01860	11.5
105.07010	43.8
107.04967	7.4
107.08572	49.1
109.02858	12.6
109.06510	12.9
109.10126	54.5
111.04425	9.8
111.08060	31.3
115.03913	4.4
117.07030	7.6
119.08562	43.8
119.15139	5.2
121.06485	5.7
121.10124	38.7
123.00761	5.8
123.04392	11.5
123.08014	5.6
123.11650	12.5
125.09592	13.2
127.03015	4.5
127.03889	21.0
129.01790	5.2
129.06989	7.6
131.08517	13.5
133.10124	37.3
135.04437	4.7
135.08032	11.3
135.11655	17.7
137.09572	14.9
139.07503	5.1
139.29175	4.4
143.08504	7.9
145.04909	6.1
145.10089	19.1
147.02879	5.7
147.11659	43.4
149.09589	10.6
149.13226	11.2
151.11172	7.0
155.08476	5.7
156.13799	8.4
157.10091	12.5
159.02859	8.4
159.11650	24.5
161.09593	11.7
161.13217	15.0
163.03984	5.6
163.14798	5.6
165.09108	11.5
167.07050	7.1
171.11656	10.4
173.13235	11.2
175.07512	42.0
175.14796	6.8
177.12769	5.8
181.08546	4.3
182.15352	7.1
184.13391	7.0
185.13300	9.9
187.14851	5.4
201.16209	8.4
203.17900	24.0
210.14702	6.7
211.14932	4.8
215.17848	7.8
221.18916	8.9
227.17801	4.6
243.17320	5.6
263.20078	4.9
311.20004	7.8
329.21146	8.2
451.22849	7.3
492.25394	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.96557	51.5
59.06104	1.2
69.03414	1.8
69.97205	6.2
70.06572	3.2
74.97620	1.4
75.64395	0.9
79.05470	1.1
84.96017	7.7
85.02879	2.2
86.06044	4.1
89.03896	4.4
95.04969	1.2
97.02896	1.5
98.20747	1.2
98.97567	13.2
102.97034	1.3
107.04934	2.2
110.97615	1.3
111.04440	1.4
112.99146	1.5
114.05564	1.3
116.98618	12.4
117.03357	3.6
119.01897	1.2
121.06433	0.9
123.04415	2.7
124.99085	16.1
124.99896	1.6
128.98587	1.7
131.00137	2.5
131.01962	1.0
134.99675	9.8
135.04393	10.7
139.03886	5.2
140.00127	1.1
141.02184	1.7
143.00146	70.8
145.01752	1.7
145.02786	6.1
146.99603	3.5
147.04401	2.3
149.01196	2.8
151.03879	1.2
152.98636	1.9
153.05487	1.4
157.01706	2.3
158.99640	2.0
159.03261	4.7
161.01205	100.0
162.01682	1.2
162.99184	1.2
163.03891	33.9
164.04242	3.5
165.00737	1.3
166.01723	1.8
167.00134	5.7
169.00308	1.1
169.01735	3.0
170.99602	6.9
173.01317	1.2
174.99216	1.1
175.00676	1.4
175.02744	1.8
177.00684	2.5
177.04283	1.6
179.00078	0.9
179.00720	1.5
179.02214	13.5
179.03438	1.4
181.01697	2.9
184.00476	2.2
184.02815	3.6
185.01208	29.9
185.02829	2.0
186.99149	5.4
187.02696	6.9
189.00708	16.2
193.01643	1.9
194.99648	1.9
196.02254	1.1
197.01263	5.2
199.02762	2.5
201.00629	1.2
203.02246	18.8
203.03973	1.6
205.00179	9.0
206.99825	1.6
207.01740	4.7
209.01271	1.5
211.02771	11.7
213.00670	15.2
215.02312	1.6
217.00323	1.1
219.01685	1.7
221.01324	1.1
221.03258	2.6
225.00676	6.4
227.02252	3.5
229.00349	1.1
229.03770	5.4
231.01720	14.0
237.00668	9.2
237.02826	4.5
239.02177	1.6
243.01794	4.5
245.03210	2.4
249.02779	21.7
249.05351	1.4
255.01704	6.6
261.02835	3.4
267.03873	25.8
268.04776	1.1
272.04181	1.1
273.02747	5.0
275.02289	2.2
279.05536	1.4
281.03229	3.0
285.04938	7.9
291.03769	9.2
293.03464	2.8
303.05701	1.2
305.03326	2.2
309.04968	25.3
310.05130	1.1
311.04254	2.0
323.04410	2.9
332.06577	1.8
335.04303	3.7
337.02304	1.1
337.05899	1.6
341.05417	2.5
351.03876	4.1
353.05701	1.4
361.05939	1.1
363.03888	2.3
365.05371	8.2
367.02869	1.2
367.07242	1.7
369.04843	17.5
369.08884	1.8
381.04865	15.1
383.06320	6.7
387.05981	16.9
393.05161	3.0
399.05951	19.8
401.06952	1.6
405.07040	12.0
410.07498	2.4
411.05975	18.0
417.06943	3.4
422.07413	2.4
429.07040	21.7
447.08203	4.7
452.08612	1.5
471.07397	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	471.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34973	0.4
56.96551	2.4
59.17159	0.4
69.77417	0.9
69.77828	2.1
73.02910	0.5
84.96000	0.7
98.97569	5.7
99.02400	0.4
101.00854	1.2
110.97549	1.5
112.56272	0.4
112.99124	3.9
113.00837	0.6
115.02381	2.3
116.98616	2.5
117.75096	0.4
119.01911	3.2
124.99118	0.9
128.98593	1.2
129.03964	0.5
131.00137	6.2
131.01868	2.8
133.02477	0.8
133.03448	11.2
134.99625	0.8
139.03871	0.6
141.03925	0.9
143.00139	2.1
143.01875	2.9
145.01678	0.7
145.03435	2.0
146.99619	1.4
147.04987	1.2
149.01215	2.6
151.04506	1.3
152.99652	0.7
153.03935	0.8
155.01817	3.4
156.02661	0.7
157.03464	3.2
158.99652	1.3
159.03281	0.5
159.03581	0.6
159.05006	5.4
161.01250	2.2
161.02921	3.9
163.03874	0.7
167.02055	0.8
169.03479	0.6
170.99603	1.0
171.04990	3.1
173.01239	2.5
173.02948	5.2
175.03044	0.6
175.04477	2.6
177.00691	1.7
177.04478	0.5
177.06081	2.7
179.02028	1.1
183.05003	3.3
184.08713	0.5
185.01387	0.8
185.02985	3.2
185.06593	1.2
187.02863	0.5
187.04404	0.7
188.38181	0.5
189.00732	1.2
189.04393	0.6
189.05928	1.1
191.02170	2.2
193.03682	1.1
195.07120	2.5
197.01274	0.8
197.02859	3.7
197.06483	1.0
199.04454	0.8
201.00607	1.7
201.06105	1.1
203.02275	1.0
203.03967	1.6
203.07578	0.5
205.05620	0.5
211.04643	1.7
213.00742	0.7
213.06065	0.8
219.01747	3.0
219.07126	12.6
220.07220	0.6
221.05016	8.5
225.06131	0.7
231.01883	1.0
231.07088	13.8
232.07234	0.6
233.03302	0.7
233.08699	3.6
237.02751	4.7
240.02480	0.6
243.01762	0.9
243.07076	0.9
244.08115	0.5
245.05063	14.2
245.08815	0.7
246.05122	0.6
247.04736	0.6
249.02760	1.6
255.07077	5.3
259.06589	1.8
261.02753	2.7
261.08185	1.7
263.06161	0.8
273.08121	4.8
279.03845	1.8
281.05496	0.8
291.03867	1.3
291.09274	0.5
293.05371	0.7
303.09375	0.7
309.04764	1.0
321.10263	100.0
322.10526	4.8
337.08035	6.2
339.11392	9.7
340.11499	0.8
355.08957	4.8
362.12946	0.5
399.05914	0.7
401.42078	0.5
411.13577	0.5
429.06876	1.1
453.09109	0.7
453.14517	3.4
471.10379	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	471.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01855	3.6
55.05502	2.5
61.02893	1.7
67.05487	2.6
68.99770	2.3
69.03413	4.3
69.07045	2.7
71.04976	1.5
71.30695	1.5
71.31036	2.1
73.35992	0.9
77.29639	1.1
79.05464	6.4
81.03405	9.0
81.07041	4.7
83.04963	2.1
85.02879	4.0
87.00802	3.3
91.05465	16.8
93.07038	15.7
95.04951	7.5
95.08575	3.8
97.02860	2.6
97.29546	1.0
103.05447	10.5
105.07028	8.1
107.04940	16.5
107.08565	3.3
109.02871	6.9
109.06463	2.3
109.10131	2.2
111.04414	1.6
115.05441	1.8
117.06992	3.4
119.04927	1.2
119.08555	2.6
120.05721	3.3
121.06493	53.0
121.10065	1.5
123.04388	1.8
123.08083	1.3
125.06004	1.3
127.03883	2.3
128.06241	1.1
129.01845	1.9
129.06969	2.3
131.04907	3.1
131.08565	2.6
133.06467	5.0
133.10057	1.8
135.04350	1.4
135.08031	7.1
137.05937	5.0
137.09592	1.7
139.07564	1.9
141.06921	2.2
141.74231	1.1
143.08514	2.1
144.05640	1.3
145.06421	4.7
145.10120	1.6
147.04347	1.3
147.08005	3.1
147.11638	2.5
151.07521	33.3
157.06427	4.1
159.04449	1.0
159.07997	5.2
159.11739	2.0
161.05968	9.6
161.09633	2.0
162.73190	1.1
163.07585	1.8
165.09076	13.8
167.08368	1.1
169.06433	2.2
169.10051	1.0
171.04410	1.9
171.08015	2.8
171.11736	1.4
172.77341	1.2
173.05908	3.3
173.09622	2.5
174.06633	1.5
175.07549	8.0
177.09084	1.8
178.06248	14.5
178.07713	2.4
181.06500	1.9
182.07167	1.3
183.07986	2.5
185.06003	1.3
185.09535	1.7
186.06590	1.3
187.07529	2.3
188.08354	2.0
189.09081	9.2
195.08095	1.7
197.05824	2.7
198.06799	1.5
199.07590	3.0
201.05534	1.4
201.09007	3.4
201.16429	1.4
203.10577	4.6
211.07484	3.4
213.09021	2.8
214.06284	1.0
214.09772	1.4
215.06900	1.8
217.08575	3.5
219.07948	1.2
225.09079	1.2
227.06943	4.8
227.10518	1.4
229.08578	3.7
232.11047	1.2
237.09077	1.9
239.10669	1.2
241.08524	1.3
243.06447	1.5
245.08102	4.9
247.09492	1.3
253.12039	1.4
255.10117	2.6
257.11609	1.5
258.12537	4.6
259.09616	8.4
259.13202	7.3
267.10132	3.0
269.11664	12.2
271.13248	18.8
274.09900	1.2
275.10718	1.5
277.08521	10.8
278.09326	4.3
279.10110	3.1
280.10870	4.2
281.11652	4.9
283.13196	2.9
285.11188	36.9
291.10172	3.1
293.11703	12.7
294.12415	1.3
295.13205	5.7
297.14838	9.4
300.11240	1.2
301.14310	7.7
307.13181	7.2
311.16217	2.9
317.11710	1.4
321.14853	4.0
323.12515	1.3
325.14462	8.6
331.13211	2.7
339.15747	8.1
349.14276	22.7
350.15076	1.3
367.15341	100.0
368.15530	3.3
393.13574	1.6
435.14096	2.3
453.15375	7.1
471.16483	3.2
471.23676	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05507	10.4
57.03424	1.6
57.07077	1.4
59.11866	1.5
67.05492	17.2
69.07047	9.7
69.34790	3.9
69.35189	15.3
79.05473	10.7
81.07048	22.2
83.08617	4.2
85.06539	2.0
91.05462	13.8
93.07037	12.3
95.08598	12.3
97.06458	2.0
97.10153	2.2
105.07013	22.9
107.08573	6.7
109.10118	5.5
117.06990	10.9
119.08559	52.4
121.10128	4.0
123.08019	2.7
123.11710	2.6
125.09617	3.0
129.07007	4.2
131.08527	18.1
133.10107	21.7
135.11642	1.5
137.09584	1.9
141.07010	3.7
143.08517	9.4
145.10089	30.2
146.10413	1.5
147.11690	24.9
155.08522	5.7
157.10104	9.7
159.11665	16.8
161.13187	9.2
169.10143	5.2
171.11682	7.0
173.09702	1.6
173.13220	12.5
183.11613	8.6
185.13216	8.6
187.14787	9.5
189.16331	1.7
197.13222	5.8
199.14835	4.9
201.16370	4.6
209.13240	2.0
211.14774	6.0
213.16331	3.4
225.16354	3.8
239.18066	3.9
241.19463	2.9
243.99051	1.5
253.19557	2.5
267.21051	1.8
271.20767	2.4
285.21976	2.3
297.22037	1.7
315.23300	1.9
323.23709	2.2
344.98163	1.6
379.29938	21.7
397.31027	17.9
404.45935	1.5
415.32037	2.1
421.62524	1.7
471.34625	100.0
472.35071	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	473.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78732	5.3
53.44191	4.6
67.05495	25.9
69.03403	13.2
70.06576	17.9
70.85477	13.0
77.96398	5.6
81.03380	15.6
81.07034	11.6
83.04964	7.6
85.02890	26.1
85.06546	16.2
86.09681	11.3
87.00801	15.1
87.35510	5.2
91.05457	11.4
93.07033	13.3
95.04899	5.3
95.08586	100.0
97.02862	12.9
99.04449	5.8
105.01826	8.1
105.07021	13.8
107.08559	21.3
109.02884	7.4
111.09203	8.2
113.05973	13.8
119.08571	29.7
121.06553	6.6
121.10118	10.4
123.08048	42.4
127.03896	17.1
135.07980	6.8
135.11644	15.5
137.00415	5.8
137.09677	8.7
147.11700	11.3
149.09618	47.9
151.07538	8.6
161.13223	16.5
163.11086	8.5
165.09187	7.4
165.12762	10.8
189.12692	27.1
207.13753	84.9
225.14821	14.9
285.42563	6.2
473.15710	9.8
473.22607	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.9
55.01855	5.2
55.05502	14.1
57.03418	7.5
61.02902	3.9
67.05486	6.4
68.99754	3.3
69.03413	28.1
69.07033	6.0
70.06562	6.7
71.04967	5.7
73.02905	4.6
79.05476	11.1
79.93523	2.5
81.03378	17.0
81.07041	11.0
83.04955	6.2
85.02890	26.1
85.06518	3.6
85.72328	3.1
86.09702	7.9
87.00809	8.7
89.40351	2.9
91.05444	22.7
93.07030	46.8
95.04971	5.5
95.08588	20.3
97.02874	11.1
97.06511	7.4
99.04437	8.8
105.01842	4.4
105.07021	18.0
107.04935	3.6
107.08568	49.6
109.02865	13.2
109.06515	7.6
109.10142	14.4
111.04410	3.3
119.04924	10.8
119.08554	25.1
121.06488	16.6
121.10117	35.4
123.04479	3.3
123.08031	38.3
127.03881	21.7
129.01859	4.1
131.08513	4.8
133.10094	6.7
135.08025	46.8
135.11668	42.2
137.09581	32.8
145.04945	6.1
145.10078	10.5
147.04381	26.5
147.08025	10.0
147.11646	9.8
149.07355	3.2
149.09584	18.2
151.07558	8.5
151.11134	9.0
159.02747	6.9
159.11620	4.5
161.09541	5.9
161.13235	11.1
163.11159	26.9
165.09082	59.5
165.12827	3.3
167.10641	13.0
171.11624	3.2
177.12718	4.9
179.10712	5.5
181.12190	100.0
189.12663	17.4
195.02844	3.0
205.12195	9.3
207.13762	47.8
225.14815	93.0
312.25507	3.5
377.01697	10.0
395.02826	4.3
450.59616	3.3
473.14011	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	473.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.1
55.01853	4.7
55.05503	18.3
57.03417	1.9
65.03923	4.2
67.05136	2.4
67.05494	47.5
69.03413	3.1
69.07065	8.8
71.04980	2.7
71.27930	1.1
77.03915	1.6
79.05481	63.2
81.03406	100.0
81.07041	38.2
83.04958	11.4
83.08606	20.4
85.06528	2.2
85.91984	0.9
91.05466	61.8
93.07027	44.5
95.04953	34.3
95.08589	20.5
97.02857	3.5
97.06510	4.4
97.10155	4.4
103.05461	2.7
105.07011	40.1
107.04942	12.8
107.08576	14.5
109.06490	6.2
109.10166	6.2
111.04437	2.1
111.08075	8.2
113.05978	1.2
115.05425	2.7
117.07005	9.1
119.04874	1.2
119.08565	29.0
121.06487	4.9
121.10136	7.6
123.08027	5.7
125.05916	1.2
125.09587	2.6
128.06215	3.3
129.06984	21.9
130.71426	1.0
131.08557	13.1
133.06471	3.9
133.10112	10.5
135.08037	1.0
137.09593	2.5
139.13747	1.0
141.06981	3.6
142.07736	2.2
143.08514	8.9
145.06444	2.8
145.10124	9.9
147.08006	3.8
147.11664	29.9
149.09593	4.2
155.08542	2.6
157.10114	8.7
159.08034	1.6
159.11700	1.7
161.09602	3.6
161.13208	7.1
165.09099	2.5
165.12721	1.4
171.08014	2.0
171.11676	20.4
173.09526	1.3
175.11180	6.9
175.12460	1.1
177.40889	1.2
183.11589	1.4
189.11302	1.7
189.12723	7.7
193.12218	25.1
207.13753	21.7
208.62932	1.0
225.14943	2.1
229.15776	3.3
249.14859	4.7
256.09912	1.1
257.15268	1.1
363.22879	1.6
371.81357	1.2
381.24130	4.1
399.25266	1.7
455.27759	4.0
473.28922	64.1
474.29382	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	473.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94728	1.4
53.03934	9.7
55.01852	5.1
55.05280	1.7
55.05504	22.7
57.03418	4.2
57.07056	1.6
64.30905	1.4
65.03913	3.1
67.05492	53.8
69.03403	4.1
69.07062	10.9
69.57201	4.6
69.57623	8.3
71.04972	4.3
75.60941	1.5
79.05482	68.1
81.03407	100.0
81.07044	47.0
81.07538	2.0
83.04967	12.6
83.08611	23.6
83.96109	1.5
85.02880	1.7
85.06525	3.8
91.05466	66.8
91.06042	3.4
93.07031	50.2
94.07439	1.6
95.04951	44.2
95.08595	26.7
95.25343	1.3
97.02876	4.0
97.06519	4.1
97.10150	5.1
98.20658	1.5
98.21217	4.9
99.08102	1.4
103.05429	2.4
105.04488	1.3
105.06333	2.5
105.07016	46.5
107.04942	15.6
107.08569	18.7
109.06522	9.1
109.10105	7.7
111.04433	2.6
111.08070	7.6
115.05434	4.5
117.06995	10.9
119.04907	3.5
119.08561	30.5
121.06467	8.5
121.10097	7.9
123.08047	6.8
123.11693	1.7
125.09595	3.2
128.06163	3.8
129.07002	24.4
131.08530	11.9
133.06490	4.8
133.10115	12.6
135.08022	2.4
135.11609	2.0
137.05997	2.5
137.09584	2.7
139.07503	1.5
142.07758	5.1
143.08539	9.5
145.06467	3.0
145.10109	9.5
147.07999	6.0
147.11679	29.6
149.09637	3.3
153.09033	1.5
155.08563	2.0
157.10115	10.5
158.07204	1.8
159.08034	1.5
159.11642	3.9
161.09593	5.0
161.13208	6.5
165.09100	9.8
165.12714	2.0
171.11670	22.0
175.11183	9.9
189.12769	8.1
193.10468	1.9
193.12187	26.4
205.12254	1.4
207.13760	16.6
208.45024	1.7
223.14944	1.6
225.14804	2.0
229.15898	1.5
249.14824	4.7
281.17468	1.6
312.83884	1.3
363.23203	2.5
366.97101	1.7
372.43860	1.5
381.24091	3.9
395.25558	1.2
399.25143	2.5
455.27435	2.3
473.28900	64.8
474.29147	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	474.2118
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
51.32935	0.6
52.72669	0.6
53.03918	0.8
53.62156	0.7
55.05490	2.1
62.58827	0.7
65.41787	0.7
67.05483	2.6
69.03402	1.3
69.07049	5.3
70.06569	1.0
79.05477	2.2
80.05016	3.9
81.03404	2.1
81.07030	2.3
82.02921	1.2
82.06544	0.8
83.04952	1.4
83.08590	0.8
85.02896	1.7
86.09679	3.2
86.60906	0.7
91.05476	4.5
92.05067	0.7
93.07018	3.0
94.06552	1.8
95.04974	1.4
96.04479	3.3
97.58717	0.7
98.06017	0.9
105.07000	3.7
106.06505	0.7
107.08565	2.5
108.04460	8.4
108.08101	1.8
109.02895	1.3
109.10113	1.1
110.06010	3.3
117.06998	3.0
119.08571	2.8
120.08113	1.3
121.06477	1.6
121.10147	1.1
122.06009	1.9
122.09650	1.1
124.11184	1.2
126.05455	4.1
128.06223	1.0
129.06961	2.1
130.07770	0.9
131.08537	3.1
133.10136	3.3
134.05994	1.8
135.08029	0.8
135.55513	0.9
136.07562	1.3
137.09621	0.9
138.05443	2.8
141.06979	2.2
142.07727	1.0
143.08548	5.2
145.10110	3.7
147.07988	0.8
148.07562	1.8
148.11198	7.7
150.09135	1.6
151.07494	1.0
152.10669	5.6
154.07675	1.3
155.08533	1.7
157.10106	5.4
159.08069	4.3
159.11690	3.1
161.08403	1.0
161.09584	3.7
162.09096	0.9
163.53056	0.7
164.10753	0.9
165.09087	2.1
166.05031	2.2
167.08534	14.4
169.10126	5.7
170.07309	1.0
175.11179	1.0
176.10681	28.6
177.09074	1.2
177.11481	0.9
178.12270	2.2
185.09610	16.0
187.11143	2.8
194.11771	7.2
195.11749	1.2
197.13275	2.0
198.11172	5.5
203.10648	2.2
207.11714	1.4
213.09177	1.9
222.11214	2.8
223.11238	1.3
229.76785	0.9
231.10178	5.9
249.11195	9.7
250.12181	2.5
252.13884	0.9
268.13297	0.9
296.12830	3.2
298.14392	1.4
308.20132	0.7
314.13889	3.9
316.15216	1.1
318.18423	1.5
332.14862	2.0
336.19650	1.2
338.21252	1.0
344.14969	1.5
354.20596	2.0
358.16360	2.2
360.14316	1.3
364.19098	3.2
372.14413	11.4
372.21521	0.9
382.20038	12.9
386.15814	2.6
386.20224	0.8
400.21130	21.6
410.19611	1.1
428.20642	83.3
429.21017	2.9
446.21799	9.2
456.20178	2.2
474.21182	100.0
475.21509	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	474.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05507	0.7
67.05486	2.4
69.03410	1.3
69.07053	5.8
70.06561	1.2
70.07133	3.6
74.63337	0.6
74.82649	0.6
79.05469	2.5
80.04991	4.2
81.03399	3.2
81.07035	3.6
85.02890	1.1
86.09683	2.4
91.05446	3.4
93.07022	3.6
94.06557	1.7
95.04991	0.7
95.08613	1.1
96.04479	2.4
98.97604	0.7
105.06992	3.9
106.06518	0.9
107.08586	1.9
108.04462	10.1
108.08122	1.6
109.02850	1.9
109.06532	0.9
109.10149	1.1
110.06034	3.6
110.55505	0.6
114.90475	0.5
116.10738	0.6
117.06996	2.7
119.08557	1.4
120.04456	0.8
120.08072	1.4
121.06471	1.3
122.05994	2.4
123.04519	0.6
123.08132	0.6
126.05508	3.2
128.06201	1.1
129.06987	3.5
131.08553	4.3
133.10129	2.9
134.05992	2.5
134.09636	1.0
136.07582	1.2
137.05969	0.8
137.09615	1.3
138.05486	2.9
141.06970	2.1
142.07745	0.6
143.08530	5.8
145.06393	0.7
145.10130	2.4
146.09595	0.7
147.08008	0.8
147.11639	0.8
148.07558	1.3
148.11171	6.5
150.09148	1.0
151.07536	0.8
152.10713	5.2
154.07756	2.1
155.08502	1.0
157.10135	5.5
159.08060	2.5
159.11641	1.9
161.09596	2.5
162.09077	0.6
164.10698	2.1
165.09099	2.3
166.05042	1.0
166.09462	0.7
167.08531	12.4
169.10077	5.5
170.07239	1.0
171.08072	1.1
173.13275	0.7
176.10675	27.2
177.11316	1.0
178.12262	2.2
185.09599	16.0
187.11131	2.4
194.11739	5.6
195.11754	1.0
198.11198	5.3
203.10670	2.1
207.11792	1.2
213.09143	1.5
222.11176	3.1
223.11212	1.0
231.10139	5.0
240.13811	0.8
241.12222	0.9
249.11191	8.0
250.12282	2.2
268.13376	1.1
296.12515	3.0
298.14264	1.0
300.15939	0.8
308.20163	0.9
312.15860	0.6
314.13672	3.5
318.18314	1.0
332.14941	2.3
336.19501	1.1
344.14825	1.1
354.20706	3.0
358.16562	1.8
362.15857	1.0
364.19131	3.7
372.14343	10.9
382.20078	11.2
386.15991	1.5
400.21155	19.1
428.20636	80.8
429.20996	3.8
446.21701	9.5
456.20111	1.4
474.21170	100.0
475.21317	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	474.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
55.01858	1.5
55.05267	0.8
55.05500	9.0
57.03432	7.5
65.03925	1.8
67.05494	21.5
68.05825	0.9
69.07049	7.8
71.04973	1.1
71.69025	0.7
79.05479	26.6
79.43827	0.6
80.05804	1.2
81.03401	7.1
81.07039	17.6
82.03733	1.4
82.07366	1.0
83.04964	1.9
83.08600	3.9
84.08098	0.6
85.06530	0.8
91.05461	25.6
92.05801	0.9
93.07027	25.8
94.07371	1.7
95.04948	5.7
95.08587	13.7
97.06493	0.8
97.10159	1.4
100.43079	0.6
101.81665	0.7
103.05425	1.1
105.07009	23.3
105.07722	1.2
106.07339	1.3
107.04955	1.0
107.08577	11.6
109.06529	1.3
109.10153	4.1
111.08045	1.4
115.05453	0.9
117.06992	6.6
119.08559	14.3
119.09389	1.1
120.08916	1.0
121.06490	0.8
121.10123	8.6
123.08067	1.3
123.11655	1.8
129.05447	1.1
129.06989	3.6
131.08549	6.7
133.10101	9.6
135.11641	5.0
142.07806	0.8
143.08505	2.4
145.10106	4.7
147.11658	6.6
148.11946	1.2
149.09543	0.6
149.13263	2.4
155.08383	0.6
156.80988	0.7
157.10112	2.4
159.11650	2.9
161.09604	0.8
161.13280	3.4
163.11163	0.7
171.11679	2.6
172.11977	1.1
173.13214	2.6
175.11119	1.1
175.14772	1.5
183.11731	0.8
185.13184	1.7
189.12813	0.9
190.13075	0.8
193.12157	1.2
194.12624	0.9
199.14841	1.0
241.19504	3.3
244.00450	0.6
247.84846	0.7
259.20483	3.0
302.24698	1.9
315.23135	2.0
319.76996	0.7
326.21555	0.8
333.24176	100.0
334.24802	3.6
427.14340	0.7
474.29553	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.8
55.01836	3.2
57.03407	3.9
57.07034	2.4
67.05489	6.9
69.03422	20.0
69.07035	6.7
69.59113	20.6
70.06576	5.2
71.04982	32.4
72.89217	2.3
73.02908	3.3
79.05478	7.3
81.03406	18.0
81.07025	11.6
83.04927	3.9
83.08607	4.6
84.08102	2.9
85.02891	34.1
85.06522	9.2
87.00832	16.7
91.05449	6.4
93.07043	16.3
95.04955	5.3
95.08591	15.6
97.02861	12.0
97.06502	4.4
98.20677	5.6
99.04441	100.0
99.08070	10.2
105.01849	8.0
105.06990	12.2
107.04967	3.9
107.08582	31.2
109.02848	9.9
109.06500	7.3
109.10132	13.2
113.09655	3.2
114.77027	2.5
118.43403	2.3
119.08530	4.7
120.08082	3.0
121.06501	6.9
121.10120	22.2
121.59046	2.5
123.08038	21.3
123.11679	11.7
124.04026	2.7
125.09605	7.0
127.03917	20.0
131.08534	4.9
133.10078	17.3
135.08025	8.9
137.09590	7.8
139.07535	2.8
139.11136	4.1
143.74016	2.8
145.04898	7.9
145.10185	3.9
147.11638	4.2
149.09595	27.9
149.13216	16.0
151.11134	10.3
153.01797	5.6
153.09142	5.8
159.02844	7.8
163.11148	2.8
163.14798	10.6
167.10664	4.1
169.12177	12.6
173.13246	17.6
183.13806	25.5
191.14291	35.3
209.15335	61.4
227.16383	73.5
227.18651	3.7
232.00627	4.7
283.04620	3.5
316.02704	8.1
372.01654	10.9
384.61020	2.6
475.04144	8.2
475.22406	3.6
475.32352	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	475.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79183	1.1
52.97368	1.1
53.03920	2.4
55.01848	3.7
55.05492	1.5
57.03426	2.1
58.39036	1.0
61.02899	1.3
67.05483	3.0
69.03416	14.9
69.07045	4.0
69.68330	9.0
70.06576	8.0
71.04608	1.9
71.04977	28.7
73.02882	1.4
73.66888	1.1
74.06046	2.7
76.04056	1.0
79.05471	1.9
81.02985	1.7
81.03405	12.7
81.07034	4.1
83.04935	1.1
83.08609	3.4
85.02885	22.4
85.06541	8.0
87.00825	9.0
91.03943	1.3
91.05451	1.8
93.07021	4.4
95.08594	6.0
97.02858	8.9
97.06539	1.3
98.21430	2.2
99.04440	100.0
99.78468	1.1
104.50005	1.2
104.94692	1.1
105.01846	4.8
105.06999	4.9
107.08578	14.1
108.25591	1.3
109.02875	9.5
109.06493	3.4
109.10136	8.2
113.09607	4.4
115.53468	1.2
117.01791	2.4
119.08555	2.7
119.92307	1.1
120.08099	1.4
121.10118	5.5
123.08064	12.8
123.11698	9.7
125.09608	4.0
127.03889	15.2
131.08562	2.7
133.10124	9.8
134.68581	1.2
137.09576	1.7
139.11131	3.4
141.12759	1.2
145.04922	3.7
145.10130	2.5
147.02821	1.5
147.11676	2.9
149.13229	4.9
151.11145	4.9
153.09048	1.8
159.02878	6.4
165.09018	2.0
165.12744	2.8
166.08643	1.2
167.10593	3.0
169.12202	16.8
173.13226	7.0
183.13771	23.5
183.15268	2.1
191.14195	5.7
209.15340	14.2
227.16376	79.0
228.16753	2.7
229.15408	1.4
231.04921	2.2
254.47534	1.3
295.05920	2.5
296.06256	3.7
348.50266	1.1
365.47238	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.2
55.01855	8.8
55.05505	23.4
57.03421	6.2
61.02925	3.5
67.05495	32.9
68.99761	2.9
69.03417	26.9
69.07064	4.7
69.65573	18.7
70.06573	4.6
71.04972	5.6
73.02908	6.8
75.52187	2.1
79.05480	6.2
81.03407	27.1
81.07063	12.9
83.04965	94.9
83.33945	2.3
85.02897	55.0
85.06525	10.3
86.09662	2.6
87.00810	21.7
89.46279	2.3
91.03915	3.5
91.05475	5.5
91.76671	2.5
93.07030	12.5
95.04953	3.3
95.08595	34.9
97.02885	21.0
98.17348	2.3
99.04434	9.5
101.05991	9.4
105.01840	15.8
105.07007	7.8
107.08571	26.0
109.02877	28.6
109.06499	4.7
109.10142	86.1
111.08054	4.8
117.01830	3.9
119.04872	2.3
119.08540	10.2
121.06448	2.7
121.10104	13.0
123.04391	3.3
123.08047	14.5
125.09599	15.1
127.03904	32.9
129.01810	4.7
131.08543	3.2
132.13049	2.3
133.10106	8.9
135.08029	7.1
135.11703	6.1
137.09628	12.9
139.07559	2.5
145.04967	16.6
147.02869	2.7
147.04253	3.1
149.09538	3.1
149.13277	3.4
153.09077	4.5
155.43617	2.1
159.01764	2.1
159.02840	11.6
161.13235	6.1
163.11159	7.1
163.14807	7.4
165.09119	2.6
173.13188	5.2
179.14284	98.1
191.14296	9.9
193.15797	3.1
195.13715	3.0
197.15349	12.2
209.08113	2.7
209.15338	100.0
221.15259	3.7
227.16396	15.6
231.04964	5.5
233.15379	2.4
241.64676	2.2
247.20396	2.1
259.59671	2.4
262.73178	2.0
280.73318	2.3
372.14362	5.1
409.18524	3.2
416.11780	2.6
427.19272	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69638	1.5
51.02371	2.1
53.03936	11.8
55.01855	6.3
55.05500	28.3
57.03415	6.1
57.07061	3.2
65.03920	4.7
67.05489	98.0
69.03421	2.5
69.07051	26.4
70.60638	5.7
71.04976	5.6
75.51424	1.5
79.05475	100.0
81.03394	12.6
81.07039	98.9
83.04962	16.9
83.08600	17.3
85.06518	5.1
91.05459	69.1
93.07024	98.1
94.07359	1.8
95.04949	28.1
95.08588	38.6
97.06515	10.6
97.10191	3.5
99.08063	2.7
105.04530	2.2
105.07007	45.6
107.04939	11.3
107.08571	39.2
109.06493	8.9
109.10126	8.9
111.08038	8.2
115.05453	1.8
117.06993	16.4
119.08553	24.4
121.06498	4.7
121.10107	20.3
123.08067	6.3
123.11693	3.5
125.09620	2.5
127.07629	2.6
128.06223	2.5
129.06972	16.2
130.07924	1.9
131.08549	13.9
133.10106	14.6
135.08035	2.9
135.11670	9.6
141.07001	2.2
143.08566	8.5
145.10106	9.5
147.08044	3.5
147.11658	31.5
149.13217	24.0
153.12761	1.8
157.10193	2.3
159.11636	11.6
161.09608	4.1
161.13223	12.5
165.09061	2.1
169.10078	2.5
171.11649	26.6
177.12744	5.6
189.12685	10.2
195.13812	7.3
207.13766	26.8
225.14851	2.3
401.27148	3.0
422.75189	1.8
475.30545	55.1
476.31036	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	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	1.3
51.02360	1.7
52.54312	0.9
52.58640	1.0
53.03934	9.3
53.83227	0.9
55.01850	4.4
55.05497	22.4
57.03433	6.8
57.07058	3.1
65.03930	6.3
67.05491	92.3
68.05829	1.1
69.03446	1.3
69.07050	25.1
71.04974	6.1
71.34482	1.0
71.68839	1.2
73.02904	1.1
73.06538	2.5
77.03915	1.6
78.53918	1.2
79.05478	100.0
80.05810	1.9
81.03403	11.7
81.07042	97.2
82.07362	1.1
83.04964	18.7
83.08607	16.6
85.06521	5.7
90.21615	0.9
91.05463	73.6
93.07028	95.8
95.04955	26.0
95.08588	38.0
95.09199	1.7
97.02866	2.0
97.06518	9.4
97.10140	4.1
99.08060	2.9
105.04510	1.9
105.07011	44.3
107.04961	8.4
107.08575	36.7
109.06481	7.9
109.10114	5.4
111.08070	6.8
113.09613	1.0
117.06982	16.7
119.08561	21.3
121.06480	3.6
121.10124	16.3
123.08042	6.8
123.11713	2.9
125.09613	1.2
127.07587	1.6
128.06204	4.0
129.06987	11.4
131.08540	9.3
133.06467	1.8
133.10101	16.3
135.08005	1.7
135.11653	8.0
143.08537	9.0
145.10100	8.8
147.08028	2.8
147.11661	31.8
149.13228	22.7
151.11131	1.4
159.11656	9.8
161.09599	3.1
161.13234	11.3
171.11655	23.0
172.96475	1.0
174.16010	1.0
177.12724	4.2
189.12723	10.5
195.13754	10.3
203.53311	1.0
207.13766	25.5
208.14114	1.2
225.14751	2.9
255.14973	1.1
263.16483	1.1
269.17447	1.6
281.17429	1.1
304.26276	4.4
335.25687	4.8
457.29877	2.3
475.30484	56.3
476.30829	3.9
504.96173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.0
51.95995	1.3
53.03938	9.6
55.01854	5.0
55.05502	27.4
56.81406	1.0
57.03431	6.1
57.07045	1.3
65.03918	5.0
67.05495	92.9
69.03409	2.4
69.07054	24.9
70.75182	1.4
70.82314	3.6
71.04977	4.7
73.06542	1.5
77.03903	1.7
79.05481	98.3
81.03419	10.2
81.07044	100.0
83.04970	16.8
83.08607	17.9
85.06534	4.3
91.05466	71.0
93.07030	91.2
94.07331	1.7
95.04953	25.5
95.07995	2.3
95.08591	32.8
97.06519	13.4
97.10170	3.6
99.08089	2.4
103.05454	2.3
105.04500	2.1
105.07017	40.9
107.04932	6.6
107.08575	38.7
109.06498	7.4
109.10133	7.3
111.08032	5.7
113.05981	1.8
115.05411	2.8
117.06998	14.2
119.08562	23.9
121.06475	2.8
121.10129	16.8
123.08032	6.2
123.11681	2.1
127.07510	1.6
128.06186	2.4
129.06970	14.2
130.07756	1.4
131.08548	10.1
133.06471	1.7
133.10097	15.3
135.08044	2.3
135.11687	7.5
143.08534	6.2
145.10100	8.8
147.08043	2.6
147.11664	29.5
149.13237	24.7
159.11685	9.7
161.09610	4.9
161.13258	11.1
171.11658	23.9
177.12723	4.7
179.14339	2.1
189.12740	11.7
195.13762	6.6
207.13783	27.8
225.14908	2.5
249.68274	1.2
281.17490	1.4
382.99881	1.2
457.29276	2.8
475.30496	65.8
476.30606	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	475.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.3
53.03930	8.3
54.26375	1.0
55.01855	5.6
55.05503	26.9
57.03431	6.7
57.07058	2.6
65.03928	4.7
67.05492	88.6
69.03399	1.7
69.07054	27.7
69.94702	7.4
71.04973	5.6
73.06541	1.4
77.03909	1.6
79.05479	98.4
81.03400	10.7
81.07040	100.0
83.04964	15.0
83.08606	15.0
85.06535	4.3
91.05462	67.4
92.05817	1.1
93.07025	98.6
95.04947	27.3
95.08589	36.8
97.02908	1.4
97.06512	11.7
97.10154	3.6
99.08068	2.9
103.05430	1.2
105.04504	2.2
105.07010	44.8
107.04929	6.7
107.08570	40.0
109.06495	7.0
109.10118	6.1
111.08024	7.6
117.06264	1.6
117.07019	14.0
119.08552	25.1
119.09409	1.6
120.49129	1.4
121.06493	3.7
121.10119	20.0
123.08078	5.5
123.11707	1.5
128.06207	2.7
129.06981	17.3
131.08534	8.7
133.10100	12.7
135.08092	2.2
135.11661	7.9
139.11208	1.4
141.09061	1.3
143.08540	7.7
145.10118	6.6
147.07970	1.9
147.11653	31.2
149.13237	25.9
157.10045	1.7
159.11662	12.8
161.09648	3.1
161.13217	13.7
163.11148	1.2
165.12804	1.6
171.11667	28.6
171.13078	2.3
177.12726	7.3
179.14270	2.6
189.12727	13.3
195.13762	5.8
207.13771	33.0
207.15631	2.0
225.14819	3.1
245.21579	1.0
246.27985	1.3
258.37625	1.1
269.17435	1.8
281.17288	1.4
291.91183	1.1
304.26041	2.0
311.40051	1.2
318.70724	1.1
475.30490	68.5
476.30676	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	475.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.6
51.95389	1.4
53.03931	9.6
55.01852	5.0
55.05500	25.5
57.03409	4.9
57.07044	4.1
57.45643	1.4
65.03918	4.0
67.05493	95.2
69.03407	2.2
69.07052	25.5
71.04982	8.4
71.08588	1.4
71.67820	1.4
79.05479	97.9
80.55479	1.2
81.03406	9.3
81.07040	100.0
82.07347	1.5
83.04964	16.5
83.08601	17.8
85.06514	4.7
91.05465	66.0
93.07029	89.0
95.04954	26.1
95.08006	2.2
95.08590	37.1
97.02876	1.8
97.06506	11.7
97.10152	3.5
99.08047	4.5
103.05457	2.0
105.04479	3.6
105.07008	43.9
107.04911	8.0
107.08571	38.2
108.08987	2.0
109.06498	8.9
109.10121	6.7
111.08087	6.4
115.05399	1.5
117.07001	17.3
119.08557	25.2
121.06487	4.4
121.10132	18.1
123.08043	4.8
123.11658	2.5
125.09659	1.9
127.07539	1.7
128.06203	2.9
129.06989	18.0
131.08528	10.5
133.06505	1.2
133.10117	15.7
135.08017	3.6
135.11658	11.7
141.09097	2.2
143.08540	8.4
145.10083	10.4
147.08022	2.7
147.10570	2.6
147.11665	32.1
149.13228	25.8
154.05261	1.4
159.11639	10.6
161.09624	4.8
161.13260	10.4
171.11664	25.8
177.12729	6.2
189.12743	11.3
195.13783	5.8
202.62428	1.4
207.13768	25.6
225.14725	3.7
281.17480	1.6
365.24506	2.2
401.26993	1.4
457.29263	2.9
475.30457	72.3
476.30487	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	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	1.4
51.02348	2.0
53.03936	8.4
54.84110	1.4
55.01866	3.5
55.05499	26.1
57.03421	6.6
57.07053	3.9
58.83731	1.3
65.03921	5.8
65.66524	1.2
66.85228	1.2
67.05492	94.4
69.07059	27.8
71.04968	4.6
71.43095	3.5
73.06545	1.9
77.03905	1.2
79.05479	100.0
80.05818	1.8
81.03401	13.4
81.07040	99.9
83.04969	17.0
83.08606	17.0
85.06516	4.5
91.05462	75.7
93.07027	91.8
95.04949	26.9
95.08588	38.7
97.06518	10.6
97.10136	4.5
99.08058	1.8
103.05435	1.2
105.04497	1.7
105.07011	44.1
107.04954	6.6
107.08575	37.1
109.06483	7.9
109.10156	6.0
111.08075	7.6
115.05388	1.9
117.07001	14.1
119.08557	24.9
121.06487	5.3
121.10123	18.2
123.08049	3.9
123.11694	2.1
128.06187	2.4
129.06975	13.9
130.07762	1.6
131.08539	10.9
133.06487	1.8
133.10110	13.7
135.08040	2.8
135.11636	8.2
139.11034	1.3
143.08531	8.7
145.10085	9.0
147.08044	2.5
147.11655	34.8
149.13226	28.0
159.11661	9.4
161.09633	4.2
161.13228	12.4
171.11656	22.4
177.12720	5.7
179.14404	1.6
189.12732	11.8
195.13736	8.4
207.13748	29.5
213.14868	3.1
218.98451	1.2
225.14804	3.2
263.16611	1.5
269.17310	1.5
281.17404	2.5
432.39008	1.4
439.06671	1.4
475.30484	67.6
476.30698	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	475.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01862	4.4
55.05502	9.8
57.03424	18.2
57.07065	43.4
61.02916	47.4
61.56554	1.3
67.05494	19.4
69.03414	18.6
69.07050	10.0
71.01337	4.7
71.04973	4.1
71.08619	31.9
73.02905	22.3
75.04482	2.5
79.05474	6.8
79.22466	1.3
81.03403	17.8
81.06695	0.7
81.07037	29.9
83.04967	3.5
83.08606	17.5
85.02892	52.2
85.10171	19.8
87.04469	1.8
91.03942	30.6
91.05453	6.6
93.07034	5.9
95.04945	2.9
95.08593	33.9
97.02877	45.0
97.10171	7.7
99.04454	11.9
99.11702	1.8
99.73497	1.2
101.02345	10.3
103.03918	6.9
105.07006	4.2
107.08574	3.3
109.02867	7.4
109.10139	15.0
111.11736	2.9
115.03919	3.5
117.05475	2.5
117.07034	2.4
119.08605	3.1
121.10161	2.0
121.73058	1.2
123.11684	5.3
125.13243	1.5
127.03915	21.2
129.05463	5.0
129.07007	2.2
131.08524	2.7
135.11685	1.5
137.13243	2.6
143.08533	2.1
145.04933	6.7
145.10162	2.5
147.11670	1.5
151.14751	1.3
157.10211	1.4
159.06505	2.5
164.73573	1.4
171.06554	2.2
171.11688	2.9
176.14220	1.2
183.06459	6.4
201.07550	4.3
221.22653	1.4
239.23656	26.9
247.61086	1.2
257.24933	2.8
281.39926	1.1
313.27313	100.0
341.26871	3.7
355.28934	1.4
365.24872	1.4
383.27844	1.3
414.63522	1.3
457.31006	5.0
475.32489	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	475.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01857	0.3
55.05495	1.4
57.07037	0.7
65.03902	0.3
67.05492	4.5
69.03403	0.5
69.07052	2.2
70.88126	1.0
71.04976	0.3
75.17910	0.3
75.65501	0.3
79.05487	1.6
81.03426	0.9
81.06602	0.5
81.07041	6.2
83.04958	0.7
83.08588	0.5
91.05468	1.4
93.07022	2.2
95.04957	0.6
95.08586	5.2
97.10156	0.8
101.06042	0.5
105.07005	1.0
107.04900	0.8
107.08578	1.6
109.06490	0.8
109.10139	7.1
111.08067	0.3
111.11686	0.3
113.09577	0.3
117.06945	0.4
119.08572	2.5
121.06461	0.8
121.10152	0.8
122.07273	1.5
123.08121	0.4
123.11681	1.3
129.07011	0.6
133.10101	0.6
135.11671	1.0
137.09598	10.6
137.13232	0.5
145.10121	0.8
149.09592	2.5
149.13280	0.7
149.20889	0.3
151.07500	1.0
151.14821	0.9
153.09064	0.6
155.08496	0.4
159.08008	0.5
159.11668	0.5
163.11151	0.4
163.14716	0.5
165.09090	100.0
166.09433	1.1
177.09033	1.2
177.12663	0.5
179.10634	0.9
185.09492	0.3
187.11205	0.5
190.09785	0.5
191.10663	0.6
203.10706	0.6
205.12221	7.4
227.12706	0.5
247.16965	0.5
253.25162	0.3
259.24231	0.4
323.25739	1.3
383.21994	0.4
429.33795	1.1
439.31790	0.4
457.33356	0.5
475.26868	0.9
475.34067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01856	0.6
55.05494	2.3
56.96543	0.3
57.03428	0.5
57.07061	0.6
57.83055	0.4
62.12610	0.4
65.03928	0.5
65.96448	0.4
67.05498	7.1
68.99770	0.3
69.03407	1.6
69.07056	2.8
70.06561	1.0
71.04975	0.8
71.40583	0.6
76.43136	0.4
79.05481	3.5
81.03414	1.6
81.06609	0.6
81.07046	8.7
83.04941	1.3
83.08598	1.7
85.02893	2.0
85.06523	0.6
87.00800	0.7
91.05453	3.4
93.07028	4.6
95.04964	1.9
95.08591	8.6
97.02863	0.7
97.06483	1.0
97.10138	1.0
98.25826	0.4
99.04404	0.6
99.08129	0.5
101.05995	0.8
103.05441	0.9
105.07014	2.3
107.04926	2.4
107.08591	2.8
109.02845	0.8
109.06500	1.1
109.10135	8.6
111.04399	0.7
111.08080	0.8
111.11696	0.8
115.05457	0.5
117.06992	1.2
117.69087	0.4
119.04929	0.5
119.08556	4.0
121.02895	0.4
121.06475	3.7
121.10139	2.5
122.07256	1.6
123.04421	1.0
123.08047	1.5
123.11690	1.8
125.05973	0.7
125.09589	1.0
127.03892	0.9
129.06953	0.7
131.04869	0.8
131.08534	1.4
133.06433	1.0
133.10100	1.7
135.04268	0.4
135.08017	1.5
135.11649	1.3
137.05995	1.7
137.09592	11.2
137.13193	0.5
139.07512	0.4
139.11215	0.5
143.08618	0.7
145.04904	0.6
145.06441	1.0
145.08975	0.5
145.10054	1.7
147.04427	0.4
147.08034	0.8
147.11690	1.0
149.09596	3.9
149.13239	1.2
151.07532	4.4
151.11115	0.5
151.14705	0.7
153.09036	0.5
155.08578	0.5
157.10112	0.8
159.08043	0.8
159.11650	0.8
161.05954	1.1
161.09596	1.1
161.13268	0.5
163.07477	0.5
163.11148	0.8
163.14723	0.7
165.09091	100.0
166.09402	1.4
167.06989	0.5
171.11653	0.5
173.06013	0.4
173.09540	1.0
175.07547	2.0
175.11154	0.8
177.09041	1.8
177.12581	0.6
179.10629	1.2
185.09558	0.3
187.11208	0.9
189.09052	0.9
189.12746	0.7
190.09993	0.5
191.07010	0.4
191.10637	1.9
191.17706	0.6
193.12157	0.6
199.14836	0.5
203.10666	1.1
205.12219	5.9
219.13707	0.4
229.12126	0.5
231.13797	0.4
245.15137	0.5
247.13248	0.4
255.10127	0.5
257.11621	0.4
259.24194	0.7
269.11670	2.8
277.25125	0.4
279.10156	0.6
281.11566	0.4
289.14395	0.5
293.11688	0.4
311.12662	0.4
323.25729	1.0
335.12607	0.5
353.13666	0.6
383.22034	1.6
401.22849	0.5
429.33530	1.0
439.24533	0.5
439.32230	0.4
457.25751	1.2
475.21426	0.3
475.26779	3.3
475.33908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.0
55.01866	11.6
55.05492	2.2
57.03426	16.8
59.05001	2.5
60.04510	2.0
61.02917	13.3
67.05489	4.5
69.03418	30.5
69.07020	1.8
70.06584	5.8
70.48047	4.5
71.01334	5.0
71.04972	2.8
72.04489	1.7
72.08154	2.0
73.02903	100.0
75.05598	1.8
75.24603	1.6
76.72810	1.8
79.05466	4.1
81.03397	7.5
81.07024	6.5
83.08598	1.8
84.04482	1.8
85.02890	74.2
86.09695	2.1
87.04449	6.5
91.03947	3.0
91.05450	4.1
93.07021	3.0
95.04954	2.1
95.08593	3.6
97.02875	56.7
99.04453	4.8
100.07591	2.2
103.03918	3.3
105.07019	12.9
107.04932	2.7
107.08577	3.4
109.02840	5.6
109.06517	2.7
109.10152	2.9
111.04408	2.0
115.03912	35.9
115.08698	2.4
116.07074	2.4
116.08192	4.3
117.06568	4.9
120.08073	3.5
121.10094	2.1
122.06013	2.6
123.04430	3.2
127.03889	21.7
128.13571	1.7
131.08453	2.5
132.06535	1.8
133.04953	31.8
133.06445	15.4
133.10049	2.4
136.07533	4.3
137.02328	2.1
137.05956	21.5
144.06538	2.9
145.04939	28.8
145.06151	2.3
150.07532	2.5
151.03935	3.2
154.08601	6.0
159.07933	1.9
161.05946	3.3
162.07530	2.5
163.05988	7.2
165.09076	44.5
166.09438	2.2
173.08131	4.2
175.07426	2.3
177.09093	4.0
180.24316	1.7
189.09081	4.3
199.06075	2.0
201.09074	2.5
217.42552	2.2
219.10104	4.1
223.05992	3.8
241.06940	4.1
243.10164	3.0
259.08182	3.8
261.11069	2.6
278.24759	6.0
296.25742	11.9
314.26843	18.4
476.13977	2.5
476.32196	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01842	1.7
55.05490	1.7
57.14165	1.3
62.06054	2.3
67.05486	2.0
69.03417	8.1
69.07053	2.0
70.06570	4.6
71.04980	1.3
71.08622	11.8
71.68174	2.1
72.08120	2.0
73.02886	1.8
73.56699	1.3
76.02207	2.7
79.05473	1.9
81.03398	3.8
81.07047	6.1
82.06553	1.9
85.02876	8.4
86.06053	23.7
87.04416	1.5
91.05456	2.3
93.07021	4.4
95.08576	2.4
96.08091	1.7
97.02883	6.4
98.09653	2.7
99.04431	2.7
99.08071	11.0
100.07572	1.7
100.11243	2.8
101.02358	4.8
105.07011	4.0
107.04942	2.0
107.08559	3.1
108.08105	4.1
109.02856	2.5
109.06500	11.8
109.10167	1.5
111.08063	6.0
116.10689	14.0
119.08545	3.8
120.08108	2.3
121.10107	1.5
124.07572	2.1
124.11201	1.1
127.03897	7.1
131.00226	1.2
133.10069	2.4
133.74937	1.3
134.09624	3.4
137.05983	6.4
137.09518	2.0
138.09105	1.4
143.10648	5.8
145.04884	2.5
147.11699	2.4
151.07521	1.5
152.10652	3.4
154.08653	1.6
159.11574	1.6
170.11746	6.0
180.10130	4.2
191.14194	1.8
198.11224	100.0
199.11533	2.0
204.06287	1.3
216.12277	76.9
261.13174	1.6
296.18445	2.7
314.08060	1.9
314.19571	40.1
314.23294	2.1
314.26770	3.9
315.19962	2.3
360.16483	9.2
378.17535	6.4
380.81467	1.9
439.26047	1.3
476.18762	2.4
476.24744	4.0
476.31787	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	476.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05753	0.8
55.01862	2.0
55.05488	2.4
55.05730	0.9
57.03410	1.5
58.58210	0.8
60.04489	1.1
61.02924	0.9
62.06073	2.8
67.05478	3.2
69.03416	8.0
69.07042	1.7
70.02917	0.8
70.05453	1.4
70.05739	4.8
70.06573	1.3
71.04949	1.9
71.08621	8.7
72.08115	1.8
72.27825	0.8
72.45133	0.8
73.02912	1.9
76.91313	0.9
79.05459	1.4
79.66715	0.8
81.03393	3.4
81.07031	6.0
83.01274	0.7
83.08584	1.2
85.02895	7.1
86.05534	1.6
86.06046	25.2
91.05448	3.2
93.07013	2.9
94.06572	0.8
95.04942	2.5
95.08604	4.0
96.08115	1.1
97.02872	4.0
98.09680	1.6
99.04427	2.2
99.08080	11.1
101.02344	3.9
105.07011	2.7
107.08605	4.6
108.08088	2.1
109.02859	1.8
109.06496	8.0
109.10136	2.4
110.05981	0.9
111.08044	5.9
116.10712	10.9
119.08559	1.8
121.06480	2.1
121.08907	1.2
121.10114	1.3
123.08060	1.3
124.11152	1.1
127.03896	6.4
130.06451	0.9
133.10086	1.1
134.09612	2.7
135.11644	1.6
137.05928	5.6
137.09566	2.5
142.08597	1.9
142.12253	1.9
143.10655	3.1
145.04945	2.7
151.07538	1.9
152.10674	2.5
162.09109	1.0
165.09068	9.6
166.09464	5.2
170.11766	7.4
180.10202	2.4
198.11226	100.0
199.11482	1.5
216.12273	82.0
217.12766	1.1
243.12112	0.9
261.13330	2.7
296.18610	2.4
314.19522	6.3
360.16434	8.6
378.17520	6.0
458.23706	1.0
476.18396	1.6
476.24722	2.7
476.30865	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	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01851	0.5
55.05243	0.6
55.05504	8.1
57.03167	0.5
57.03430	8.3
57.07060	1.2
62.06080	0.8
65.03922	1.3
67.05495	32.2
68.05856	0.5
68.67028	0.5
69.06689	0.5
69.07060	7.4
71.04967	0.9
79.05019	0.9
79.05483	16.1
81.07046	28.1
83.04951	1.2
83.08611	3.2
85.06522	0.4
89.18501	0.4
90.86309	0.4
91.05465	7.6
91.13464	0.4
93.07034	17.1
94.07358	0.7
95.04957	2.2
95.08592	20.3
97.06516	1.3
97.10162	0.6
98.21310	2.1
105.07003	5.2
107.07907	0.6
107.08577	7.2
109.06499	0.9
109.10143	7.6
111.08095	0.7
117.06973	1.8
119.08571	3.4
121.10130	5.7
123.11690	2.3
125.03516	0.4
128.31561	0.5
129.72542	0.5
131.08546	1.8
133.10126	2.0
135.11650	3.1
137.09613	0.4
137.13249	0.5
145.10120	1.3
147.11641	1.4
149.13243	1.6
159.11644	1.2
161.13257	1.0
163.11137	0.4
163.14851	0.5
173.13237	1.0
261.22134	0.7
304.26367	2.7
328.66223	0.4
335.25751	100.0
336.26065	4.9
460.78711	0.4
476.30780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.9
55.05495	13.6
57.03420	5.5
58.76030	1.2
62.06077	34.5
65.03929	2.0
67.05493	46.5
69.07054	13.2
70.87833	1.4
70.88187	4.2
79.05476	28.8
81.07043	38.5
82.07373	1.5
83.04955	1.6
83.08613	4.4
85.05267	2.8
91.05467	18.5
92.05849	1.4
93.07025	30.1
94.07349	1.6
95.04932	2.8
95.08585	28.8
97.06483	2.5
98.06049	11.0
98.98450	13.5
105.07011	9.0
107.04960	2.3
107.08557	15.4
109.06473	1.3
109.10142	8.4
117.06990	3.1
119.08546	8.2
121.10133	9.9
123.08072	1.9
123.11679	3.2
124.01557	1.7
131.08554	5.5
133.10115	6.7
135.11681	5.3
142.02612	3.2
145.10103	3.7
147.11621	2.1
149.13251	3.8
155.00974	2.8
159.11674	1.8
161.13168	3.0
173.02068	2.5
173.13217	2.3
198.05261	2.0
216.06320	3.9
243.21074	2.0
261.22137	7.2
304.26288	100.0
305.26599	4.3
318.08627	1.5
335.25760	98.1
336.26114	3.4
368.98816	1.3
420.24298	1.5
458.26672	3.4
476.27371	1.5
476.31070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49006	0.5
53.03902	1.3
55.01821	0.8
55.05502	3.4
56.05002	0.9
57.03425	2.8
57.07035	1.0
57.25177	0.4
60.04493	0.5
61.02907	3.0
65.03905	1.2
67.05495	8.2
68.04985	0.8
69.03419	6.7
69.07052	3.7
70.06554	1.6
70.15866	2.4
71.04951	1.6
73.02895	2.5
74.43276	0.5
79.05486	2.5
80.04996	3.2
81.03403	2.7
81.07042	4.3
82.06566	2.7
83.08584	1.2
84.08095	1.7
85.02890	11.9
86.06016	0.6
86.09679	0.7
87.04419	2.0
88.76959	0.5
91.03897	0.7
91.05434	1.6
93.05725	0.7
93.07022	2.9
94.06548	3.0
95.04929	0.8
95.08588	2.9
96.04442	0.5
96.08062	1.0
97.02327	0.6
97.02878	4.5
99.04448	3.0
101.02330	0.8
103.03880	0.8
105.06996	0.5
106.06492	1.9
107.07278	0.5
107.08535	1.3
108.08061	2.1
109.02821	1.5
109.10095	1.8
110.09622	0.7
112.07555	1.4
120.08049	1.3
121.10078	1.4
122.09615	0.7
124.03852	0.5
126.09100	0.7
127.03885	3.0
131.08588	0.7
133.09995	0.5
134.09607	1.1
135.11667	0.5
136.11212	0.6
138.09093	1.8
145.04880	0.8
145.10011	0.6
145.27202	0.5
151.03867	0.6
152.14233	0.5
156.10149	1.9
165.09073	0.4
166.12331	0.5
191.14122	0.7
194.19041	0.7
195.22179	0.4
222.22047	0.6
227.16405	0.5
228.16797	0.8
234.21942	0.5
246.22144	2.1
248.23650	2.0
250.25322	3.0
256.09668	0.5
258.22147	0.7
260.23813	2.4
266.24741	0.8
268.26541	0.5
278.24731	13.6
278.27762	0.7
285.12570	0.5
296.25787	55.0
297.26224	1.7
314.26837	83.3
315.27197	2.8
317.06448	2.3
356.27942	1.4
434.19849	0.5
440.35397	0.5
458.30942	1.0
476.32114	100.0
477.32376	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	477.1381
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01844	0.3
55.05482	0.4
59.06102	0.5
67.01846	0.3
67.05486	2.8
68.05015	0.4
69.03423	1.5
69.07049	0.6
69.33791	2.1
69.34221	1.6
70.06568	0.7
71.04987	0.4
79.05465	0.4
81.03404	1.0
81.07032	2.0
83.39088	0.4
85.02882	1.2
85.07651	13.6
93.07038	0.8
95.08582	1.2
97.02876	5.9
97.87122	0.3
99.04435	0.6
101.07130	1.1
105.07004	0.5
107.08530	0.5
109.02853	1.3
109.06472	0.4
109.10135	6.4
119.08561	0.7
121.02863	0.6
127.03912	1.2
137.09595	10.9
155.10649	1.2
159.34956	0.3
165.09081	10.1
169.06442	0.5
170.07240	1.2
181.06454	0.4
183.10176	0.8
185.09598	0.3
187.03923	0.6
197.05905	1.1
198.06703	4.2
198.58383	0.3
201.11287	1.7
225.05502	0.6
226.06207	3.7
227.06819	0.3
237.05356	0.6
253.05022	0.5
254.05698	23.9
255.06007	0.6
257.04230	0.3
265.05121	0.4
266.09872	0.3
269.04413	0.6
269.13855	0.9
270.05023	1.2
271.05914	2.8
279.12225	0.7
279.25140	0.5
281.04373	5.7
281.07254	0.5
282.05194	9.7
283.05972	2.2
286.04688	1.8
297.13300	2.0
297.25970	0.4
299.05432	7.6
300.06253	9.2
301.06479	0.5
309.13205	0.3
314.26736	0.7
315.08563	100.0
315.27173	1.2
316.08905	3.2
368.13583	0.3
375.14307	1.1
432.36356	0.3
433.16864	0.3
436.92874	0.3
459.18143	0.4
476.31668	0.4
477.13449	4.0
477.32260	3.2
490.40610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1382
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03930	0.4
53.16886	0.2
54.02261	0.2
55.05486	0.3
57.01762	0.2
57.03421	0.3
58.96660	0.2
60.58493	0.2
66.57656	0.2
67.05491	2.5
69.03416	1.5
69.07050	0.2
69.46851	0.2
70.06555	0.2
71.04958	0.4
71.68187	0.5
79.05489	0.5
81.03420	1.1
81.07049	1.5
85.02878	1.4
85.07668	1.2
91.05473	0.3
93.07028	0.6
95.04942	0.6
95.08591	0.9
97.02879	8.3
99.04440	0.6
102.15989	0.2
103.66371	0.2
106.98342	0.2
107.08569	0.4
109.02883	1.2
109.06489	0.3
109.10139	6.6
110.10487	0.3
119.08564	0.5
119.86697	0.2
121.02890	0.6
121.10149	0.2
124.06104	0.2
125.05999	0.3
127.03886	1.7
137.09595	10.9
138.09833	0.2
140.61363	0.2
142.07767	0.4
145.04927	0.5
155.10637	0.9
165.09096	8.1
169.06435	0.7
170.07202	0.8
181.06441	0.7
183.10162	0.7
187.04041	0.3
193.05125	0.2
197.05934	1.3
198.06731	4.7
201.11215	1.5
225.05479	0.7
226.06227	4.2
237.05435	0.4
244.51169	0.2
253.04968	0.5
254.05707	24.0
255.06186	1.2
257.04410	0.4
265.04907	0.4
269.04330	0.8
269.13794	0.6
270.05115	0.8
271.05978	3.3
279.12207	0.6
281.04428	5.0
282.05182	11.1
283.05905	2.0
286.04633	2.2
297.13184	1.4
297.26166	0.5
299.05466	7.9
300.06229	8.7
301.06506	0.3
309.97821	0.2
314.26859	0.6
315.08569	100.0
315.27097	0.7
316.08920	4.4
349.52338	0.2
358.09109	0.2
370.48502	0.2
435.46109	0.2
476.31769	0.2
477.13617	1.9
477.32535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03172	3.1
53.03927	10.6
55.01863	15.8
55.05499	70.5
57.03424	11.3
57.07055	6.5
59.04987	5.8
62.71830	2.6
65.03919	2.9
66.05538	2.7
67.05489	68.2
67.59463	3.0
69.03412	23.3
69.07059	31.3
69.94043	2.7
70.06595	3.6
70.25549	13.5
71.04965	10.2
79.05478	60.2
79.96026	2.3
81.03408	45.1
81.07038	63.8
83.04958	37.8
83.08601	40.2
85.02895	21.3
85.06509	17.3
87.00803	4.8
91.05460	53.4
93.07021	41.5
95.04945	35.9
95.08578	36.0
97.02861	3.8
97.06512	11.1
97.10147	41.0
98.21295	3.4
99.04443	6.7
99.08077	4.5
101.06074	3.6
103.05462	3.5
105.01846	5.6
105.07017	39.5
107.04919	27.3
107.08576	48.1
109.02875	6.4
109.06492	15.0
109.10134	46.0
111.04456	3.9
111.08064	10.5
113.05976	6.3
115.05445	3.6
117.06992	19.6
119.04914	3.7
119.08559	28.4
121.06480	20.0
121.10094	20.2
123.04425	3.5
123.08057	12.4
123.11673	20.4
125.05985	4.0
125.09596	35.1
127.03891	7.9
127.11170	9.3
129.06998	13.4
131.04904	2.7
131.08536	25.1
133.06476	11.6
133.10100	21.5
135.08028	13.1
135.11687	18.0
137.05907	5.6
137.09572	9.5
137.13223	4.1
141.06996	5.7
143.08537	10.0
145.04953	2.5
145.06462	14.7
145.10078	12.8
147.04434	7.7
147.08043	10.5
147.11629	14.7
149.09622	12.7
149.13268	7.4
151.07544	7.6
151.11139	9.9
151.64035	2.7
153.06889	2.6
153.09059	7.9
153.12717	5.8
155.08519	5.7
157.10075	14.3
159.05008	3.0
159.08072	5.3
159.11661	6.6
161.05846	3.3
161.09549	6.3
163.11165	8.2
165.09091	27.0
165.12605	3.3
167.14301	15.5
169.10100	5.7
169.12212	24.1
171.07970	6.7
171.10194	3.1
171.11597	5.0
171.13858	4.1
173.09596	5.5
173.13202	6.0
175.11182	12.8
175.14746	6.4
177.12646	3.3
183.08244	2.6
183.11679	3.2
185.09637	4.7
185.15334	13.2
187.11098	4.1
187.14783	3.3
189.11209	15.0
189.12674	3.5
193.12189	30.6
193.15900	10.4
195.11746	3.2
197.13202	5.3
199.11171	3.1
203.14037	3.2
205.12279	5.3
209.15343	9.4
211.13275	11.9
211.16899	72.3
213.12625	3.8
215.14279	4.5
217.12199	3.5
219.13800	3.0
227.12582	6.7
229.15649	4.8
229.17938	100.0
233.15262	12.6
243.13953	4.6
243.80159	2.8
249.14902	4.2
253.18027	4.6
255.13756	7.3
267.15805	8.5
273.14786	12.6
291.15860	4.7
330.35989	2.9
339.23206	4.4
349.21606	13.8
357.24106	6.0
367.22656	39.1
385.23663	66.6
403.24786	17.8
430.89908	3.2
441.26132	11.0
459.27313	55.3
477.28415	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93650	2.0
53.03938	5.6
53.52274	1.5
55.01861	8.6
55.05501	33.9
57.03420	5.1
57.07056	2.7
59.04991	4.8
61.17267	1.7
67.05499	35.3
67.61468	1.9
69.03413	25.6
69.07065	22.5
70.06583	3.0
71.04983	6.8
71.41536	2.1
79.05479	27.2
81.03407	24.3
81.07043	37.5
83.04965	25.1
83.08154	3.2
83.08605	26.4
85.02895	23.6
85.06530	14.8
86.09707	3.2
87.00816	5.4
87.04443	4.4
87.61989	1.9
91.05459	24.1
93.07024	22.1
95.04972	19.8
95.05534	3.2
95.08593	25.5
97.02871	6.4
97.06512	5.9
97.10145	14.6
99.04419	4.0
99.08076	6.2
101.06029	2.6
105.01855	4.7
105.07018	23.9
107.04955	14.5
107.08570	32.2
109.02875	7.8
109.06501	8.3
109.10138	55.5
111.04438	2.5
111.08084	7.0
113.05978	4.3
117.06985	4.8
119.08575	18.6
120.08051	1.9
121.06497	14.9
121.10130	15.5
123.04408	3.5
123.08046	14.2
123.11697	20.4
125.09619	17.4
127.03884	12.4
127.11174	18.4
129.07001	8.1
131.04962	2.6
131.08551	12.4
133.06474	5.1
133.10107	12.9
135.08051	9.5
135.11674	13.4
137.05977	4.0
137.09578	9.1
139.11136	2.4
143.08575	6.8
145.04900	2.5
145.06450	4.7
145.10083	6.1
147.08046	4.3
147.11662	10.4
149.09561	5.2
149.13243	7.2
151.07520	43.9
151.11166	6.0
153.06862	2.0
153.09100	2.8
153.12743	3.5
155.08580	3.0
157.10112	5.6
159.02837	2.4
159.08073	4.3
159.11671	5.7
161.09654	5.7
161.13210	2.3
165.09090	23.1
165.12848	2.2
166.09456	7.6
167.07074	2.4
167.09608	2.2
167.14272	16.8
169.10091	3.3
169.12233	26.6
171.08055	2.8
171.11673	3.7
173.09595	3.8
173.13341	1.7
175.07677	2.8
175.11194	5.5
175.14830	6.6
177.09122	4.9
177.12717	2.7
179.10609	2.8
183.11569	2.1
185.09570	3.0
185.13254	3.6
185.15353	17.4
187.11179	3.2
189.09242	2.3
189.11185	7.4
189.12726	3.5
191.10654	7.1
193.12230	5.9
193.15880	8.8
195.11758	2.2
199.11116	3.2
203.10577	2.7
203.14415	2.1
205.12154	4.8
211.16899	70.2
212.17281	2.2
215.14267	2.5
227.12726	5.5
229.17957	100.0
233.15311	4.4
257.15121	2.2
267.15878	6.8
273.14862	4.4
275.16287	2.0
287.05655	2.3
315.08862	3.0
349.21652	3.2
357.24213	2.5
367.22665	13.5
385.23621	26.1
403.24557	4.1
433.25528	2.3
441.26230	3.5
459.21753	2.5
459.27344	20.3
477.28418	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51570	2.7
53.03933	8.1
53.41968	2.8
55.01863	14.9
55.05504	63.1
57.03421	14.0
65.03917	5.5
67.05492	79.7
69.03407	11.4
69.07054	29.7
71.04967	13.0
71.09947	6.5
79.05483	68.7
81.03412	40.0
81.07043	94.5
82.03786	2.9
83.04968	23.6
83.08599	34.1
85.02885	8.8
85.06517	9.2
88.91959	3.0
91.05470	64.3
93.06447	3.4
93.07031	62.8
95.04958	33.8
95.08595	57.4
97.02874	5.9
97.06506	11.3
97.10159	43.6
99.04417	5.5
99.08068	3.8
101.09634	2.9
103.05424	3.5
105.07019	45.6
107.04944	37.5
107.08582	48.3
107.89048	2.8
109.02877	3.4
109.06497	18.5
109.10130	34.6
111.04404	9.3
111.08066	10.9
113.06020	3.2
115.05402	4.5
117.07006	19.0
119.04956	3.5
119.08556	35.4
121.06500	23.5
121.10121	25.7
123.04391	8.3
123.08036	12.9
123.11713	14.8
125.05962	4.8
125.09602	30.9
125.23550	3.0
127.03867	5.3
129.07005	19.1
131.04858	5.9
131.08553	26.8
133.06470	10.8
133.10106	22.7
135.08031	14.8
135.11656	17.3
136.26753	3.0
137.05981	5.3
137.09592	13.4
139.11145	6.5
141.06937	7.2
143.08545	11.4
143.10612	3.4
145.06465	12.4
145.10121	20.0
147.04352	4.1
147.08020	8.9
147.11661	14.8
149.05957	4.6
149.09645	7.4
149.13245	11.6
151.07510	21.4
153.09106	8.5
153.12741	6.2
155.08536	6.8
157.06438	5.4
157.08926	4.1
157.10008	15.3
159.08073	5.3
159.11635	15.2
161.09612	5.1
161.13318	4.8
163.11171	22.0
165.09111	22.5
165.12700	5.8
165.16399	8.8
166.09453	9.3
167.07016	9.2
168.83818	3.0
169.10240	4.0
170.87254	3.5
171.07968	3.1
171.11711	6.8
173.09653	7.8
173.13196	6.2
175.11180	11.0
177.09111	3.9
177.12668	3.3
181.10033	7.4
181.12209	3.9
183.11708	4.8
185.13246	5.2
187.11235	6.0
189.09247	4.9
189.11203	17.9
191.06941	5.0
191.10641	7.1
193.04936	3.5
193.12192	25.3
193.15886	3.0
195.11740	5.0
195.13799	7.9
199.11119	6.5
201.12778	3.1
205.12233	6.5
209.11685	4.8
211.13231	10.6
211.17024	4.0
213.12579	3.7
215.14319	6.1
217.12189	3.3
227.12767	10.3
231.13724	6.6
233.15334	11.8
237.12653	3.3
245.15393	3.2
267.15942	12.7
273.14822	9.7
275.16345	4.6
287.16406	4.9
339.23285	9.1
349.21500	13.1
357.24304	9.4
367.22513	31.9
385.23657	56.9
403.24625	16.7
423.25504	3.6
430.89893	3.3
431.27902	7.0
441.26367	10.8
459.27200	54.9
477.28412	100.0
478.28812	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	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	9.7
55.01862	16.5
55.05503	66.6
57.03432	14.6
64.74368	2.6
65.03893	4.5
67.05495	82.8
69.03398	11.4
69.07061	33.4
69.78196	15.6
71.04982	5.9
79.05042	4.2
79.05479	82.6
81.03409	41.9
81.07044	91.6
83.01286	3.3
83.04973	23.9
83.08614	46.1
85.02864	8.0
85.06527	5.3
91.05476	57.2
93.07028	60.3
95.04958	35.2
95.08590	44.7
97.02859	4.8
97.06480	13.5
97.09583	3.4
97.10151	54.0
99.04397	4.1
105.07011	46.7
107.04945	35.2
107.07907	4.6
107.08572	51.3
107.33071	3.2
109.06506	18.0
109.10146	30.4
111.04353	9.9
111.08010	11.5
115.05376	4.2
117.06997	16.4
119.04871	4.3
119.08550	31.7
121.06473	32.8
121.10109	19.0
123.04380	6.1
123.08047	19.7
123.11642	6.8
125.08802	4.0
125.09615	32.2
128.06171	7.0
129.06975	18.4
131.04886	4.8
131.08551	33.2
133.06422	12.3
133.10100	21.9
135.08047	17.2
135.11597	10.6
137.05882	4.8
137.09550	6.7
139.07471	4.1
139.11084	4.6
141.06964	6.7
142.07764	2.8
143.08481	13.1
143.10559	4.0
145.06429	25.2
145.10101	21.2
147.08032	13.8
147.11679	14.2
149.09497	12.1
149.13181	8.4
151.07521	32.0
153.09013	7.2
153.12627	6.4
155.08534	6.7
157.06470	4.5
157.10052	14.3
159.07973	4.8
159.11690	14.8
161.05902	4.5
161.09564	5.3
163.11182	16.7
165.09007	11.9
165.12836	4.1
167.08510	4.4
169.10033	7.5
171.07895	5.9
171.11571	8.6
173.09534	11.2
173.13217	4.6
175.11172	7.2
177.09073	3.6
181.10033	4.0
181.12210	4.2
183.11600	3.9
185.09613	5.7
185.13205	6.2
187.11073	5.8
189.08907	3.7
189.11122	19.5
189.12717	5.0
191.10550	8.1
193.10612	3.3
193.12181	23.9
195.13742	5.4
197.13126	4.7
199.11041	8.6
201.12581	3.7
205.12221	5.5
211.13097	6.6
213.12624	4.4
215.10689	5.0
215.14215	10.9
223.13171	3.6
227.12527	19.9
231.13739	4.1
233.15283	24.2
235.13182	4.5
237.12679	3.3
241.14244	5.6
243.13551	3.0
245.15282	5.8
249.14659	8.3
255.13664	6.1
257.15164	3.1
261.14700	3.8
267.15851	17.8
273.14633	11.7
275.16220	6.1
287.16226	4.2
291.15594	5.7
339.22986	11.7
341.21069	5.6
349.21631	13.9
357.24237	14.3
367.22604	53.0
385.19302	5.0
385.23706	68.4
386.23904	5.0
403.24670	27.2
433.25494	12.4
441.25940	7.3
459.27316	85.0
460.27475	7.8
477.21936	5.1
477.28067	100.0
478.28354	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	477.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51579	0.3
53.03925	0.5
55.05498	3.1
57.03419	0.7
61.81486	0.3
67.05493	7.9
69.03402	1.5
69.07044	1.4
71.04983	0.4
79.05469	3.4
81.03403	1.3
81.06605	0.5
81.07044	6.5
83.04973	0.6
83.08596	1.2
85.02872	0.6
91.05444	2.5
93.07024	3.2
95.04946	1.9
95.08592	11.9
97.06538	0.4
97.10126	1.6
98.21081	2.1
99.08083	0.4
105.07006	3.3
107.04899	0.9
107.08548	1.9
108.05662	0.8
109.06483	0.9
109.10134	8.7
111.04382	0.5
117.06964	1.0
119.08556	1.9
119.41796	0.3
121.06474	1.2
121.10107	1.2
123.08053	10.9
123.11692	4.5
125.09644	0.6
129.07024	0.9
131.08519	1.5
133.06418	0.4
133.10072	1.8
135.08035	1.6
135.11658	0.6
137.05984	0.4
137.09581	2.2
139.07549	0.5
143.08551	0.6
145.06509	0.4
145.10069	1.0
147.08043	1.0
147.11679	1.1
147.15959	0.4
149.09584	0.8
149.13235	0.8
151.07513	100.0
152.07878	1.4
155.08626	0.6
155.10619	0.7
157.10114	0.8
159.08032	0.4
159.11632	0.8
161.09615	2.9
161.13174	0.5
163.11221	0.5
165.09076	3.2
166.09427	0.7
169.10052	0.6
171.11699	0.7
173.09615	0.4
173.11717	1.1
175.07384	0.4
175.11176	3.8
176.08443	0.4
177.09056	2.3
179.10683	0.5
183.10147	0.5
185.13223	0.4
187.11130	1.2
189.11208	0.6
189.12743	2.0
191.10638	6.7
191.18030	0.4
193.12178	0.4
199.11166	1.5
201.11192	0.9
203.10620	1.4
205.12210	4.4
213.16342	0.5
215.14320	0.5
217.12276	0.8
219.13754	0.4
227.12631	0.4
229.41905	0.5
233.15361	0.6
243.17567	0.6
273.14938	0.4
275.23105	0.3
285.18427	0.8
293.24747	1.2
297.22086	0.4
303.19467	3.1
332.60809	0.4
349.21539	0.6
367.22525	1.1
385.23730	1.4
395.29483	2.4
413.30438	4.2
423.28851	0.7
431.31458	1.4
441.30566	0.6
459.27213	1.4
477.28256	2.6
488.40454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05501	64.5
55.82618	3.5
57.03423	6.6
59.05024	4.3
64.12231	3.5
67.05494	81.6
69.07065	30.2
71.04974	7.1
71.67892	4.3
79.05488	72.5
81.07042	87.9
83.04963	5.4
83.08602	20.1
85.06570	5.6
91.05466	29.6
93.07029	64.7
95.04976	7.5
95.08593	96.3
97.06547	4.7
97.10159	38.4
99.08064	3.9
105.07013	26.6
107.08571	45.3
109.10132	22.4
117.07001	10.6
119.08564	22.8
121.10128	28.4
123.11694	9.2
125.09624	36.5
131.08551	16.1
133.10124	21.7
135.11668	25.1
143.08543	5.4
143.10640	6.0
145.10120	13.0
147.11667	12.8
149.13246	17.1
157.10031	5.3
159.04585	3.8
159.11723	9.4
161.13318	7.5
163.14803	7.4
173.13229	8.5
175.14809	4.7
185.13200	5.3
199.13316	9.4
241.93680	4.0
243.21147	4.7
261.22174	12.5
263.23648	6.3
270.57123	4.3
347.75784	3.7
385.31018	16.5
403.31943	7.9
459.34583	18.2
477.35815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12909	2.4
55.01863	5.7
55.05505	84.9
55.34399	2.3
57.03433	3.9
57.07059	5.3
57.43445	2.6
65.03913	4.5
67.05141	5.1
67.05493	85.7
69.03381	4.1
69.07055	27.6
69.51524	19.8
71.04964	4.1
79.05483	71.5
81.07048	94.3
83.04967	6.4
83.08610	37.5
85.06527	4.2
91.05463	35.1
93.07033	61.5
95.04926	5.4
95.08593	91.1
95.09203	5.3
96.08912	2.7
97.06483	5.5
97.10152	43.2
98.10451	2.6
99.08043	3.4
105.07016	24.9
107.08576	52.0
109.06529	2.7
109.10158	25.5
113.09601	2.9
117.06997	8.8
119.08566	15.4
121.10121	25.7
123.08000	3.4
123.11689	9.9
125.09615	37.3
129.06923	5.0
131.08539	12.9
133.10129	17.8
135.11679	20.8
137.13219	3.4
143.08598	3.3
143.10655	7.1
145.10118	12.7
147.11688	10.3
149.13246	14.4
157.10065	3.2
159.10185	7.7
159.11696	10.3
161.13263	7.4
163.11127	2.7
163.14807	6.5
173.13261	9.0
175.14799	4.8
185.13268	3.2
187.14850	4.4
199.13274	8.0
199.14911	2.5
204.08101	2.3
217.14488	3.0
238.18002	3.8
243.21072	5.3
261.22180	12.2
263.23624	4.9
267.33890	2.3
301.07135	2.7
317.24637	2.7
335.25641	5.9
385.31018	8.1
403.31961	5.8
459.34735	13.8
477.28754	5.5
477.35733	100.0
478.35913	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	477.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01843	1.1
55.05500	6.0
57.03413	0.7
57.07054	0.8
57.91212	0.5
64.25605	0.5
65.03898	0.8
67.05495	10.1
69.03400	1.1
69.07052	4.8
70.06569	0.7
71.04967	0.6
72.08144	0.6
75.29200	0.4
79.05474	5.8
81.03394	2.9
81.07047	12.7
82.92371	0.4
83.04965	2.3
83.08594	3.2
84.04483	0.6
85.02924	0.9
85.06528	1.0
91.05457	5.7
93.07037	5.1
95.04964	2.4
95.08601	6.1
97.06491	1.4
97.10172	2.9
98.20716	1.7
103.05431	0.6
105.07025	4.2
107.04925	2.7
107.08571	3.7
109.06480	1.7
109.10126	7.1
111.04401	0.9
111.08071	1.0
117.06982	2.1
119.04877	0.6
119.08564	5.8
121.06493	2.2
121.10124	2.7
122.07263	2.1
123.04405	1.0
123.08060	1.0
123.11676	2.5
125.09604	1.7
127.66489	0.4
128.06294	0.5
129.06976	1.5
131.08519	2.4
133.06461	1.1
133.10130	3.0
135.08000	1.5
135.11661	2.4
137.05981	1.5
137.09586	11.1
139.11154	0.8
143.08517	0.9
145.06522	0.9
145.10086	1.9
147.08029	0.9
147.11665	2.1
149.09608	1.3
149.13237	1.0
151.07523	1.0
151.11157	0.6
153.05370	0.6
153.09120	1.2
157.10089	0.9
159.11661	1.5
161.09564	0.5
161.13252	0.7
163.07573	0.7
163.11156	1.4
163.14723	0.5
165.09091	100.0
166.09438	2.0
167.06996	0.7
171.08041	0.5
171.11690	0.6
173.09634	1.0
175.11116	1.1
177.12651	0.5
179.10709	0.5
185.13261	0.6
187.11058	0.5
187.14838	0.6
189.09062	0.5
189.11143	1.0
189.12759	0.6
191.06923	0.6
191.10674	0.8
192.38690	0.4
193.12212	1.4
195.07959	0.7
197.18898	0.6
199.11176	0.5
203.14278	0.6
205.12273	0.5
209.13330	0.6
213.12744	0.6
215.14273	1.0
227.12679	0.9
229.52849	0.5
233.15309	1.1
261.51624	0.5
273.14886	0.8
303.15771	0.5
339.23029	0.6
349.21655	0.7
357.24094	0.5
367.22577	2.1
385.23611	4.2
399.30450	0.5
403.24951	1.5
404.55240	0.6
423.25348	0.6
431.27594	0.6
441.26279	0.9
459.26865	3.0
460.27621	0.6
477.28262	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	478.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03939	2.6
55.01863	0.6
57.03432	6.1
59.94795	0.3
61.02960	0.4
67.05501	0.9
69.03426	2.2
69.07040	0.5
69.50130	3.1
70.06583	0.8
71.01343	4.3
71.04980	0.4
73.01573	0.3
73.02518	0.5
73.02909	7.9
73.51571	0.3
75.04489	0.4
77.03904	0.9
78.03444	1.3
79.05489	5.2
80.05000	1.4
80.30608	0.3
81.03419	1.0
81.07049	0.7
82.52328	0.3
83.01327	0.8
84.08133	1.1
85.02895	15.2
91.05462	0.6
93.07038	0.8
95.01330	2.2
95.04960	5.3
95.08616	0.5
96.04487	1.0
97.02883	2.7
99.00800	0.9
100.85556	0.4
101.02373	1.7
103.03950	1.2
105.03381	100.0
105.89053	0.3
106.02903	5.9
106.03706	1.4
109.06421	0.5
109.10115	0.6
113.02354	4.5
119.08540	0.4
123.04414	10.4
124.03938	49.8
124.70017	0.3
125.04232	0.6
127.03889	0.6
130.06587	0.3
131.03380	4.0
133.10155	0.3
136.07587	0.4
139.03865	0.4
140.61626	0.3
141.01801	4.2
145.04897	0.5
151.03873	0.5
153.01828	1.1
159.02930	1.9
169.04831	0.4
179.07013	63.8
180.06439	6.8
195.08005	0.7
197.04602	0.5
198.07550	1.0
215.05447	0.7
221.07991	1.4
226.08688	0.3
233.09537	0.4
236.23694	0.8
237.52573	0.3
254.24924	0.4
261.09079	1.3
263.10895	0.5
274.04608	0.5
279.10022	0.8
280.26233	1.0
284.09143	1.2
289.08575	0.7
298.27240	2.0
301.03314	0.8
302.04773	2.8
302.10190	21.6
303.10434	0.9
307.09464	1.0
316.28421	3.0
317.06540	11.7
319.08060	0.7
321.11432	0.4
337.09125	0.6
355.10141	9.7
355.14548	0.5
356.10184	0.4
435.19019	0.5
460.27335	0.5
478.13254	1.0
478.33853	3.7
479.18921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22066	0.3
56.05024	0.5
58.99585	0.4
61.02916	0.5
65.25056	0.3
67.04234	5.7
69.03421	1.0
69.91779	1.1
69.92191	0.9
73.01125	0.6
74.00665	1.9
81.03394	0.5
84.04477	0.4
85.02901	2.0
86.00632	1.1
96.04450	0.7
97.02869	1.2
98.20797	0.5
100.02184	100.0
101.02530	0.7
102.05529	1.6
105.07113	0.3
110.06035	0.9
114.05493	1.9
117.03353	0.5
127.03935	0.7
129.04832	0.7
130.04979	1.3
132.01117	1.2
135.04362	0.7
138.05476	1.1
139.03874	0.5
145.02814	0.3
147.04337	0.4
156.06526	0.6
157.04283	3.6
158.02699	3.5
163.03897	2.0
175.05354	2.6
180.06488	0.5
185.03737	0.9
193.12167	0.4
203.04814	62.8
204.05132	0.7
213.06900	9.4
240.98637	0.3
255.07938	0.7
276.10709	0.9
316.09558	15.0
331.80505	0.4
340.34247	0.4
358.10446	0.8
375.12131	2.7
478.14908	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
56.05011	0.5
56.96547	0.7
57.03445	0.4
60.04521	0.3
61.02909	0.7
67.04233	5.1
67.59007	0.4
68.05019	0.7
69.03409	1.1
70.64339	0.9
73.01132	1.0
74.00649	4.4
74.82204	0.4
78.91359	0.3
85.02909	2.0
86.00637	0.5
86.06053	2.7
88.69815	0.3
89.03874	0.5
96.04470	0.7
97.02858	1.1
100.02184	100.0
101.02516	0.7
102.05506	1.3
111.04392	0.4
114.05516	1.6
114.54100	0.4
120.08069	0.5
123.04414	3.0
124.03949	0.5
127.03920	0.5
129.04770	0.8
130.04994	1.1
132.01173	0.6
135.04385	1.5
138.05502	0.5
139.03870	1.4
147.04430	0.4
156.06541	0.8
157.04286	3.3
157.09686	0.5
158.02675	3.5
163.03880	4.1
163.41010	0.4
164.04189	0.5
175.05299	2.3
179.80270	0.4
180.06549	0.5
185.03722	0.9
203.04819	67.5
204.05240	0.6
213.06888	18.1
243.61577	0.4
245.14899	1.0
255.08046	0.5
276.10797	0.7
312.75177	0.4
316.09558	16.8
316.13245	1.0
317.10001	0.8
358.10413	0.7
375.12238	1.9
407.20169	0.8
465.02982	0.4
478.08969	0.5
478.14841	5.2
478.22107	0.6
478.23535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.89603	0.8
53.03934	1.1
53.89252	0.7
54.92920	0.7
55.01857	1.2
55.05500	9.5
57.03424	4.9
57.07053	2.1
62.06076	30.9
63.17862	0.8
65.03925	0.8
67.05134	1.7
67.05490	29.9
69.06689	1.0
69.07059	16.3
70.05532	3.0
70.05955	1.5
71.08595	1.4
79.05478	9.3
81.07042	29.8
83.08608	7.1
85.05277	0.9
87.83009	0.7
91.05461	5.2
93.07017	10.2
95.08588	21.1
97.06494	1.6
97.10143	2.4
98.06033	3.0
98.98437	7.9
105.07001	3.6
107.08566	5.4
109.10143	8.9
119.08565	1.6
120.08952	0.9
121.10102	3.2
123.11692	3.6
124.01583	1.7
133.10132	3.2
135.11665	2.5
137.13216	1.1
142.02588	1.3
147.11665	1.6
149.13263	1.1
155.00974	4.8
161.13286	1.2
173.02084	1.6
175.14873	1.4
177.16350	1.4
189.16318	1.0
198.05226	1.4
216.06210	3.8
245.22652	3.0
263.23703	4.9
296.21793	0.9
306.27850	28.8
337.27307	100.0
338.27444	4.2
417.24149	0.9
460.28052	4.0
478.29059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2921
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.83609	0.3
53.03931	0.8
55.01849	0.5
55.05501	12.4
57.03428	6.6
57.07071	1.7
60.92683	0.3
62.06076	0.6
65.03918	0.8
67.05492	25.1
69.07056	16.3
71.04961	0.7
71.08614	0.6
71.43133	0.4
71.43496	0.4
73.07600	0.3
79.05024	0.4
79.05476	8.2
81.07041	24.4
82.07338	0.5
83.04942	0.8
83.08602	6.6
85.06526	0.6
85.10165	0.5
91.05459	4.6
93.06435	0.4
93.07024	7.7
95.08586	17.8
97.06518	1.6
97.10162	3.3
98.98461	0.4
99.08087	0.4
105.07019	2.7
107.08582	3.3
109.06491	0.4
109.09406	0.5
109.10132	6.9
111.08054	0.8
111.11682	0.5
119.08565	3.0
121.10105	2.7
123.11678	2.4
124.01546	0.4
133.10115	2.7
135.11667	1.5
137.13219	0.8
147.11647	2.1
149.13217	0.9
153.12825	0.3
161.13237	1.2
163.14757	1.0
175.14740	0.5
198.05226	0.5
216.06178	0.5
245.22720	0.4
263.23651	1.2
306.27826	3.1
337.27301	100.0
338.27652	4.2
441.49731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01853	1.5
55.05507	4.1
56.05013	1.4
57.03425	3.6
57.07062	0.8
58.02944	0.5
60.04515	2.3
61.02917	3.1
64.94944	0.5
65.03916	0.7
67.05494	5.5
68.05036	1.1
69.03416	9.5
69.07059	3.6
70.06574	2.0
70.79166	1.5
71.04971	1.5
71.08618	0.6
73.02908	3.4
74.06059	0.8
79.05469	3.7
80.04993	0.6
81.03400	3.7
81.07048	6.5
82.06564	1.3
83.04951	0.7
83.08599	1.9
84.08132	1.0
85.02895	18.3
86.06041	2.9
86.09699	0.7
87.04446	2.5
91.03939	1.2
91.05465	2.5
93.07034	3.8
94.06538	1.0
95.04962	1.4
95.08586	6.0
96.08123	2.6
97.02882	6.4
97.06521	0.6
97.10156	0.9
99.04439	2.1
99.08058	0.5
99.39294	0.5
101.02386	0.9
103.03944	1.1
105.03359	0.7
105.07028	2.0
105.95319	0.5
107.04911	0.6
107.08564	2.7
108.08119	0.9
109.02877	3.1
109.06506	0.7
109.10151	2.2
110.09675	1.0
114.09155	1.5
114.21600	0.5
115.03914	0.6
119.08565	0.8
120.08105	0.6
121.02906	0.6
121.06516	1.0
121.10137	1.9
123.08144	0.6
127.03895	4.3
131.08521	1.1
133.10094	1.0
135.04364	0.5
135.11600	0.6
136.07544	0.9
137.06017	1.1
145.04938	1.9
147.11606	0.7
149.13234	0.8
151.07520	0.8
153.01788	1.9
159.11696	0.6
166.08522	0.6
167.07190	0.5
194.59319	0.6
198.11234	1.0
199.11441	0.5
214.16690	0.5
216.12317	0.7
228.23227	1.1
236.23645	1.0
254.24744	4.2
262.25226	1.0
280.26312	13.2
281.26685	0.7
285.03790	0.6
298.27365	42.2
299.27725	1.5
302.04080	2.7
316.28421	47.9
317.06528	18.3
317.28873	2.4
333.05914	0.6
340.28394	1.7
358.29498	1.2
435.19733	1.3
460.32706	2.0
478.33710	100.0
479.19016	2.9
479.33868	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	478.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01853	1.5
55.05507	4.1
56.05013	1.4
57.03425	3.6
57.07062	0.8
58.02944	0.5
60.04515	2.3
61.02917	3.1
64.94944	0.5
65.03916	0.7
67.05494	5.5
68.05036	1.1
69.03416	9.5
69.07059	3.6
70.06574	2.0
70.79166	1.5
71.04971	1.5
71.08618	0.6
73.02908	3.4
74.06059	0.8
79.05469	3.7
80.04993	0.6
81.03400	3.7
81.07048	6.5
82.06564	1.3
83.04951	0.7
83.08599	1.9
84.08132	1.0
85.02895	18.3
86.06041	2.9
86.09699	0.7
87.04446	2.5
91.03939	1.2
91.05465	2.5
93.07034	3.8
94.06538	1.0
95.04962	1.4
95.08586	6.0
96.08123	2.6
97.02882	6.4
97.06521	0.6
97.10156	0.9
99.04439	2.1
99.08058	0.5
99.39294	0.5
101.02386	0.9
103.03944	1.1
105.03359	0.7
105.07028	2.0
105.95319	0.5
107.04911	0.6
107.08564	2.7
108.08119	0.9
109.02877	3.1
109.06506	0.7
109.10151	2.2
110.09675	1.0
114.09155	1.5
114.21600	0.5
115.03914	0.6
119.08565	0.8
120.08105	0.6
121.02906	0.6
121.06516	1.0
121.10137	1.9
123.08144	0.6
127.03895	4.3
131.08521	1.1
133.10094	1.0
135.04364	0.5
135.11600	0.6
136.07544	0.9
137.06017	1.1
145.04938	1.9
147.11606	0.7
149.13234	0.8
151.07520	0.8
153.01788	1.9
159.11696	0.6
166.08522	0.6
167.07190	0.5
194.59319	0.6
198.11234	1.0
199.11441	0.5
214.16690	0.5
216.12317	0.7
228.23227	1.1
236.23645	1.0
254.24744	4.2
262.25226	1.0
280.26312	13.2
281.26685	0.7
285.03790	0.6
298.27365	42.2
299.27725	1.5
302.04080	2.7
316.28421	47.9
317.06528	18.3
317.28873	2.4
333.05914	0.6
340.28394	1.7
358.29498	1.2
435.19733	1.3
460.32706	2.0
478.33710	100.0
479.19016	2.9
479.33868	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	479.1174
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03923	0.7
55.01851	0.6
55.05505	0.2
57.03417	1.0
61.02915	1.7
65.03941	0.5
69.03093	0.3
69.03416	3.9
70.15956	1.1
71.04982	0.4
73.02885	0.5
76.51021	0.2
79.55907	0.2
81.03407	1.9
83.01284	0.3
85.02891	11.1
87.04442	0.7
90.36306	0.3
91.03942	0.4
92.02608	1.3
93.03383	1.1
97.02873	3.9
99.04420	0.5
103.71775	0.2
109.02831	1.2
111.00790	0.3
112.81143	0.2
121.02840	1.4
126.03113	0.5
127.03855	1.7
127.87490	0.2
128.07866	0.2
137.02316	0.3
139.03851	1.1
140.21407	0.2
145.04942	2.0
151.03847	1.1
153.01794	8.8
163.03882	0.3
165.01813	1.0
173.05904	0.3
183.04384	0.3
190.06140	0.2
200.04684	0.4
200.43997	0.2
201.05460	0.8
203.03386	0.5
217.04892	1.3
218.05708	0.7
228.04124	1.8
229.04909	4.3
231.02820	0.5
237.64563	0.5
245.04414	1.3
246.05205	2.1
246.14893	0.7
246.65103	0.4
256.03641	0.2
257.04410	2.6
260.03186	0.4
273.03836	1.9
274.04672	4.4
284.03076	0.4
285.03891	5.2
287.01892	0.2
288.06256	0.3
299.05457	0.5
302.04156	14.9
303.04486	0.4
317.06497	100.0
318.06915	2.5
329.06403	0.3
359.07584	0.3
478.33154	0.6
479.93500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05399	0.4
53.03932	0.6
57.03407	0.6
61.02905	1.2
68.99777	0.3
69.03416	3.5
70.25343	1.3
70.25756	0.8
81.03408	1.7
85.02893	8.4
92.02617	1.6
93.03375	1.5
97.02894	2.8
109.02863	1.0
121.02831	1.2
126.03088	0.8
127.03896	1.2
131.02066	0.4
139.03867	0.6
145.04915	1.1
151.03862	0.9
153.01791	10.4
163.03947	0.4
165.01836	0.6
201.05533	1.0
217.04913	1.5
218.05617	0.7
228.04121	2.2
229.04909	2.9
245.04497	1.9
246.05185	1.8
256.03677	0.4
257.04385	2.3
260.03052	0.6
261.07550	0.6
273.03867	2.1
274.04666	5.8
284.03156	0.7
285.03876	3.6
302.04178	14.7
303.04434	0.5
317.06506	100.0
318.06857	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	479.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41922	0.2
53.03925	0.6
55.01867	0.4
57.03415	0.8
61.02637	0.2
61.02916	1.4
68.99733	0.2
69.03416	3.4
70.05883	0.6
70.06297	0.4
71.04978	0.5
73.02892	0.4
76.67945	0.2
81.03405	1.4
83.01310	0.3
85.02892	9.7
87.04455	0.3
91.03922	0.5
92.02609	0.9
93.03394	1.1
97.02876	3.6
99.04430	0.6
107.83620	0.2
109.02846	1.0
111.00808	0.2
121.02834	1.0
126.03117	0.4
127.03897	1.9
137.02324	0.3
139.03909	1.0
145.04939	1.5
151.03885	0.7
153.01797	8.0
165.01799	0.7
177.05370	0.4
183.02875	0.3
200.04637	0.2
201.05412	1.0
203.03398	0.5
217.04944	0.7
218.05766	0.5
219.02846	0.3
219.06314	0.2
228.04169	1.5
229.04930	3.6
231.02809	0.3
245.04329	1.4
246.02705	0.3
246.05156	1.8
256.03580	0.3
257.04413	2.5
260.03204	0.2
261.07416	0.4
271.06052	0.3
273.03870	1.8
274.04663	4.4
284.03262	0.5
285.03906	4.4
302.04175	15.1
303.04755	0.3
317.06506	100.0
318.06888	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1174
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.18892	0.6
57.03415	0.8
59.84075	0.5
61.02900	1.4
65.03947	0.6
69.03410	3.2
69.64880	5.3
81.03378	1.3
85.02888	8.5
92.02603	1.8
93.03409	0.9
97.02876	3.1
121.02817	1.0
127.03864	1.2
137.02290	0.6
139.03865	0.7
145.04924	1.1
153.01793	11.5
165.01743	1.1
177.05557	0.9
201.05289	1.4
217.04971	1.2
228.04164	2.0
229.04881	3.7
245.04424	1.8
246.05219	2.6
257.04401	2.3
271.05801	0.8
273.03937	2.2
274.04617	5.2
284.03070	0.8
285.03912	3.6
286.69321	0.7
302.04156	17.7
317.06500	100.0
318.06772	2.4
370.90933	0.7
444.40298	0.7
448.85355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1178
Annotation	Tamarixetin 3-galactoside
Peak:m/z	Relative Intensity
53.03926	0.8
55.01847	0.6
55.05497	0.8
57.03411	0.8
60.04496	1.1
61.02920	1.6
67.05482	1.6
69.03423	3.5
69.07055	0.9
70.06573	0.7
70.71391	0.7
70.71780	0.6
71.04978	1.4
73.02890	1.1
74.15868	0.4
79.05466	0.9
80.05012	0.4
81.03403	2.3
81.07046	1.9
83.04947	0.6
83.08574	0.4
84.38628	0.4
85.02889	9.0
86.09673	0.4
87.04425	0.5
91.05450	1.0
93.07018	1.0
95.04926	1.4
95.08575	1.4
97.02876	3.1
97.10094	0.4
98.17508	0.4
99.04427	0.7
105.06985	1.0
106.34939	0.3
107.08563	0.9
109.02847	1.2
109.06454	0.7
109.10135	1.2
111.04436	0.5
114.97144	0.3
116.34979	0.3
117.07025	0.5
119.08534	1.0
121.02840	0.9
121.06463	0.7
121.10098	0.6
123.04435	2.2
123.08028	0.5
124.01565	0.7
125.02348	0.5
125.05933	0.4
125.09576	0.4
127.03881	2.1
131.08591	0.4
133.10110	0.8
135.04321	0.4
135.08038	0.7
137.02322	2.2
137.05943	0.6
137.09584	0.4
145.04913	1.7
145.10123	0.9
147.08002	0.4
147.11656	0.8
149.09540	0.4
151.03859	1.1
151.07545	1.1
153.01755	0.9
153.05431	0.3
159.07980	0.4
159.11623	0.3
163.03926	1.0
165.09021	0.5
167.03349	3.6
179.03328	1.1
183.11723	0.3
185.13142	0.3
187.07481	0.4
193.12291	0.3
196.05151	2.3
197.04378	0.6
197.05980	0.5
211.07465	3.0
215.07007	1.6
218.16197	0.4
219.02737	0.4
225.05432	0.5
228.04019	0.5
239.06990	4.2
240.07773	0.9
243.06497	3.6
257.04724	0.5
261.07410	0.5
271.05917	1.7
273.03909	0.4
274.04697	3.6
288.06387	0.9
296.25784	0.5
299.05496	0.8
302.04184	3.0
314.26758	0.7
315.27090	0.6
315.51584	0.3
317.06506	100.0
318.06885	1.9
332.27875	3.2
333.28635	0.7
369.43860	0.4
434.18723	0.4
478.33377	1.3
479.34033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1177
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.81334	0.1
65.03915	0.2
68.99763	0.2
69.03403	0.1
70.06548	0.3
70.14035	0.2
70.14433	0.3
72.08170	0.1
81.03380	0.1
85.02877	0.4
88.90853	0.1
90.20015	0.1
90.57964	0.1
92.02083	0.1
92.02615	1.3
92.59081	0.1
93.02855	0.1
93.03392	1.3
97.02867	0.2
109.06297	0.1
110.34163	0.1
111.00753	0.2
121.02853	1.2
123.04411	0.3
126.03136	0.6
126.03902	0.1
127.03862	0.1
133.02753	0.1
135.04422	0.1
137.02342	0.3
139.03877	1.1
147.04387	0.2
148.07582	0.1
150.03107	0.1
151.03870	0.9
153.01801	8.5
155.05008	0.1
163.03954	0.2
165.01807	0.7
173.05936	0.2
177.05441	0.2
179.03300	0.1
183.02798	0.4
187.03885	0.1
189.05490	0.1
200.04669	0.4
201.05424	0.8
203.03342	0.6
217.04912	1.0
218.05734	0.6
219.02769	0.3
228.04128	1.7
229.04922	4.2
230.05487	0.1
231.02843	0.4
233.04335	0.1
237.99794	0.1
239.03279	0.2
243.06537	0.3
245.04439	1.5
246.05235	2.1
256.03549	0.2
257.04407	3.1
258.05099	0.1
260.03180	0.7
261.07553	0.2
271.05923	0.3
273.03876	2.2
274.04669	4.5
284.03271	0.6
285.00690	0.2
285.03894	5.1
286.04532	0.3
287.01846	0.1
287.11099	0.2
288.05978	0.2
299.05075	0.1
299.13901	0.1
301.03238	0.2
302.04160	13.9
303.04422	0.3
317.06500	100.0
318.06848	2.0
379.36420	0.1
479.11890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03928	1.5
55.01857	0.7
55.05495	0.6
57.03419	1.6
61.02895	1.9
63.89073	0.4
67.05488	1.1
68.99783	0.9
69.03418	8.3
69.53516	1.0
69.53916	4.0
70.06573	0.8
71.04971	1.2
71.83563	0.4
73.02881	0.7
75.05592	0.5
81.03402	6.7
81.07025	0.5
81.75700	0.4
83.04954	1.2
85.02894	15.3
87.00806	1.4
87.04465	1.1
90.59256	0.4
91.05472	0.5
92.02594	1.3
93.03403	0.9
95.04928	0.7
96.08113	0.5
97.02868	6.2
99.04442	1.9
107.04897	0.6
109.02868	4.8
109.10142	1.0
111.04411	0.9
117.06580	1.5
121.02834	1.2
123.04425	0.6
127.03899	9.3
129.01866	0.5
137.09601	1.0
139.03862	1.2
145.04951	2.6
151.03868	1.6
153.01811	8.0
163.03882	1.3
165.01744	0.7
165.09135	0.6
169.04932	0.5
171.02901	0.6
189.03888	0.5
195.92273	0.5
200.04716	0.5
213.03893	0.9
217.04965	1.0
228.04068	1.0
229.04915	3.2
231.02905	0.6
231.04976	0.9
245.04436	1.5
246.05281	2.1
256.03714	0.6
257.04422	2.5
273.03717	2.0
274.04675	4.2
280.26346	1.6
281.26498	0.6
285.03873	4.5
288.12198	0.8
298.27393	1.6
302.04163	12.9
302.07397	0.9
314.69974	0.4
315.08505	0.5
316.28275	1.5
317.06506	100.0
317.70697	0.5
318.06879	2.5
359.07596	0.7
461.09180	1.6
478.33755	3.6
479.33862	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	479.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
55.01848	5.2
55.05502	33.9
57.03410	12.1
57.86768	3.1
61.02928	3.0
65.03929	3.5
67.05495	75.3
69.03405	6.3
69.07050	34.9
70.06567	11.9
71.04949	9.4
71.19778	6.8
73.02895	3.6
79.05473	54.7
80.05796	3.2
81.03402	26.7
81.07038	100.0
83.04970	24.2
83.08607	28.1
85.02893	22.7
85.06528	7.1
91.03956	5.1
91.05467	52.7
93.07026	61.8
95.04954	32.4
95.08587	43.1
95.13983	3.0
97.02874	7.1
97.06499	13.3
97.10142	7.4
105.06992	31.3
107.04926	13.3
107.08575	35.2
109.06487	9.0
109.10114	11.4
111.04362	3.9
111.08062	9.3
115.05390	4.2
115.91007	3.2
117.06992	13.6
119.08576	27.0
121.06464	4.7
121.10097	20.4
123.08036	3.0
123.11678	6.2
125.09570	3.4
127.03876	3.5
128.06215	4.1
129.06975	11.1
131.08536	18.6
133.10118	20.1
135.08014	4.6
135.11661	16.0
145.10106	9.5
147.11690	16.1
149.09525	3.7
149.13203	19.0
153.05370	4.7
157.10097	10.2
159.11716	6.2
161.13239	4.7
163.11189	14.2
165.12679	8.0
175.11153	11.7
177.74094	3.0
181.12294	4.2
193.12245	32.9
195.13780	6.8
199.05920	6.0
211.13257	37.3
227.12737	32.1
253.17931	4.4
267.15945	6.4
269.17407	4.2
316.28287	4.0
317.06564	18.4
317.28693	8.4
338.76593	3.0
369.23987	6.1
387.25015	9.2
443.27200	5.0
461.28802	13.5
479.29642	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2013
Annotation	Aristoquinoline A
Peak:m/z	Relative Intensity
50.26417	0.4
52.27896	0.3
53.03935	1.8
55.01859	0.6
55.05504	0.9
67.05481	2.0
67.94031	0.4
69.03419	1.1
69.07047	1.0
70.06587	0.4
70.21145	1.6
71.04981	0.5
79.05482	1.6
80.05005	1.0
81.03395	1.5
81.07039	3.0
83.04966	0.6
83.08592	0.4
85.02893	1.8
85.06515	0.5
91.05465	7.1
93.07036	9.0
94.06564	0.8
95.04948	1.8
95.08574	3.2
97.02876	0.6
97.06495	0.6
99.04459	0.5
103.05446	5.6
105.07004	2.0
107.04947	2.0
107.08569	0.8
108.04472	3.4
109.02872	0.8
109.10121	0.7
110.06007	1.0
116.43702	0.4
117.06988	1.4
119.08588	2.0
121.06486	100.0
122.06017	0.7
122.06821	1.7
127.03951	1.1
128.06207	1.0
129.06960	1.2
131.08568	1.8
133.10091	2.0
134.05995	0.4
135.11664	0.6
137.13264	1.0
141.06982	0.8
142.07797	0.6
143.08549	1.9
145.04976	0.4
145.10135	1.4
146.05997	1.0
148.07487	2.1
151.07416	0.4
154.07784	0.8
155.08504	0.6
157.06432	0.5
157.10120	3.2
159.08020	1.5
159.11676	1.6
161.09586	0.9
161.13252	2.8
165.06950	0.9
167.08556	3.6
169.10141	1.7
170.07224	0.4
171.08002	0.7
171.11636	0.5
172.07504	0.6
174.09120	0.6
179.14301	3.5
181.10143	0.5
183.08057	0.8
185.08177	2.5
185.09761	2.6
187.11150	1.1
195.11797	0.5
197.05521	0.5
197.15340	1.4
198.09119	1.0
200.07025	4.1
200.10715	4.9
201.07796	1.0
202.08591	2.9
203.10617	1.4
204.10181	0.7
207.11714	0.4
210.09071	0.5
211.07658	0.5
211.09747	0.4
212.07024	0.4
212.10658	0.5
213.07687	0.6
214.08582	5.0
215.14412	0.3
215.16386	7.4
216.10278	1.2
226.08588	0.9
228.10155	48.2
229.10756	2.2
230.11752	1.4
239.07014	0.5
240.07500	0.5
242.11864	0.4
249.11206	0.8
250.12236	0.6
256.13248	0.6
266.11713	0.5
268.13226	0.4
296.12753	1.5
314.14011	0.5
317.06384	0.8
318.06827	2.9
332.15067	0.6
360.14496	0.4
360.19458	1.0
362.21219	0.7
370.17804	3.1
372.19781	0.6
372.42526	0.4
378.20749	0.5
388.19052	2.1
398.17422	0.7
406.20001	1.3
416.18405	5.3
434.19586	23.8
435.19928	1.1
452.20633	27.4
453.21011	1.4
462.19144	1.0
480.20117	66.9
481.15161	0.3
481.20642	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2011
Annotation	Aristoquinoline A
Peak:m/z	Relative Intensity
53.03932	1.3
60.48212	0.4
67.05473	1.0
69.03406	0.9
70.82104	0.5
70.82442	1.1
79.05480	1.2
80.04996	0.8
81.03407	0.9
81.07039	0.6
83.04970	0.7
85.02882	1.1
91.05456	5.8
93.06438	0.5
93.07027	9.0
94.06564	0.4
94.07358	0.4
95.04933	1.5
95.08595	0.5
96.04517	0.5
98.88478	0.4
103.05453	4.7
105.04508	0.5
105.07000	1.9
107.04943	1.2
107.08571	0.7
108.04453	2.7
109.05237	0.6
110.06039	1.1
115.05451	0.5
117.06979	1.3
119.04935	0.5
119.08534	0.8
121.06481	95.1
122.05998	0.9
122.06834	1.9
123.04399	1.9
127.03845	0.6
128.06180	0.6
129.06987	1.3
131.08521	2.5
133.10104	0.7
134.06027	0.6
141.06949	0.9
142.07765	0.8
143.08466	2.3
145.06482	0.5
145.10069	1.3
146.06058	0.4
147.11673	0.5
148.07527	1.1
153.07059	0.4
154.07704	0.8
155.08524	0.9
157.06476	0.6
157.10083	4.0
159.08012	0.8
159.11705	1.4
161.09575	0.8
163.03860	1.2
165.05479	0.5
167.08531	5.9
169.10052	2.6
177.09056	0.5
183.08064	0.6
185.08286	1.3
185.09628	5.0
187.11096	0.9
193.04997	0.4
195.11713	0.6
198.09119	1.3
200.07086	2.0
200.10663	4.2
201.07788	0.5
202.08621	3.8
203.10669	1.5
207.11667	0.6
214.08557	2.6
216.10191	1.3
226.08617	0.6
228.10144	46.8
229.10567	1.5
230.11777	1.4
231.10081	1.3
249.11235	1.2
250.12219	1.3
252.13930	0.8
296.12836	1.8
314.13812	1.2
318.06879	2.1
332.14923	0.8
360.19543	1.0
370.17926	2.5
372.19690	1.0
388.18930	1.3
406.20123	1.9
416.18460	5.3
434.19550	23.0
435.19550	0.9
452.20575	15.4
453.20822	0.7
480.20099	100.0
481.20569	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	480.2012
Annotation	Stephabenine
Peak:m/z	Relative Intensity
51.02377	0.6
53.03942	2.2
65.43433	0.4
66.73317	0.5
67.05485	0.6
69.03398	1.1
71.14011	1.3
79.05479	1.6
80.04977	0.7
81.03387	0.6
81.07043	1.7
84.04488	1.5
85.02895	0.5
91.05466	8.7
93.06427	0.7
93.07027	11.9
93.14082	0.5
94.06557	0.7
95.04967	3.5
95.08571	0.6
96.04478	1.1
103.05443	7.4
105.04456	0.9
105.07011	3.3
107.04932	1.2
107.08536	0.7
108.04472	3.9
109.05225	1.3
110.06007	1.9
115.05444	1.3
117.07016	2.8
119.08532	0.9
121.06486	95.4
122.06041	0.8
122.06828	1.3
123.04438	0.9
128.06238	1.3
129.06982	1.9
131.04924	0.5
131.08559	2.8
132.93408	0.5
133.06512	0.5
133.10103	1.3
134.06018	0.5
136.07564	0.7
141.06967	1.7
142.07730	1.0
143.08524	5.1
145.10109	2.2
148.07542	1.9
154.07756	1.8
157.10101	5.3
159.08025	1.6
159.11670	2.2
161.09587	0.7
161.13309	0.6
162.28024	0.6
167.07140	1.1
167.08519	9.3
169.10080	3.7
170.07220	1.2
185.09592	11.6
185.11169	0.8
187.11153	2.2
188.10666	0.8
195.11630	0.7
200.10739	1.3
202.08658	2.5
203.10672	1.9
204.10143	3.4
207.11844	0.8
213.09122	1.1
214.08536	1.1
216.10191	0.7
228.10156	14.3
230.11708	1.8
231.10147	3.8
249.11310	4.6
250.12195	1.0
272.13266	0.7
286.14304	4.0
296.12836	3.0
300.10486	1.2
314.13831	1.7
317.06509	0.7
318.06802	1.0
318.11420	0.6
332.14883	4.3
360.14319	7.0
360.19131	0.8
370.18033	0.9
388.19101	0.8
406.20062	3.6
408.21658	0.8
416.18646	2.4
434.19635	7.4
452.20639	26.7
453.20914	1.3
480.20117	100.0
481.20627	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3078
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03933	0.9
55.01866	0.5
55.05506	11.9
57.03162	0.4
57.03427	6.9
57.07071	5.4
67.05496	8.8
69.07059	19.9
69.88560	1.7
69.88978	0.8
71.04984	0.6
71.08617	2.8
78.69855	0.4
79.05489	4.5
80.40237	0.4
81.07045	10.6
82.55675	0.4
83.04971	0.8
83.08107	0.6
83.08604	12.0
85.06532	0.6
85.10150	1.7
86.09684	0.3
93.07032	6.0
95.08591	10.3
97.06520	2.6
97.10152	6.5
98.98435	0.7
107.08569	3.4
109.10127	4.0
111.08064	1.3
111.11692	2.2
121.10124	6.1
123.11709	1.4
125.09618	0.8
135.11662	3.9
139.11176	0.8
139.87105	0.4
142.61224	0.4
149.13245	1.3
177.16342	0.4
194.98085	0.4
196.17099	0.3
216.06212	0.8
247.24216	0.6
265.25229	1.4
308.29480	2.7
328.45099	0.4
339.28894	100.0
340.29221	2.8
386.99435	0.5
395.01062	0.3
480.33710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3077
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05507	8.4
57.03419	2.4
57.07058	5.5
62.06080	27.7
67.05500	9.8
68.84308	1.4
69.07060	17.9
71.08624	3.1
79.05466	4.5
81.07050	12.8
83.08617	14.5
91.05481	2.2
92.41969	1.3
93.07027	6.5
95.08591	10.4
97.06547	1.9
97.10155	6.4
98.06036	3.0
98.20601	3.6
98.98439	8.9
107.08568	2.8
109.10136	4.7
111.11704	2.5
121.10126	5.2
124.01585	1.9
135.11678	3.5
149.13239	1.9
155.00999	6.1
198.05215	1.9
216.06328	2.9
265.25229	4.7
276.52188	1.6
296.13928	1.6
308.29428	37.7
339.28897	100.0
340.29285	3.0
419.25418	2.9
438.13492	2.7
462.29498	2.1
466.12268	1.7
480.17468	2.0
480.30322	2.5
481.14697	19.0
490.24039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0967
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03919	0.6
55.01838	0.8
55.05495	0.4
57.03415	0.9
61.02898	1.1
68.99766	1.4
69.03428	3.1
70.06569	0.6
70.95086	0.7
71.04957	0.4
73.02904	0.8
81.03392	3.0
82.86138	0.3
84.08153	0.4
85.02888	8.8
88.05056	0.4
95.04947	0.5
97.02882	3.9
99.04448	0.6
107.01263	0.7
107.04962	0.4
109.02837	1.5
111.00813	0.4
111.04372	0.4
115.05417	0.5
121.02850	1.1
123.00755	1.4
123.04430	0.8
125.02289	0.5
127.03899	2.0
133.06393	0.4
137.02319	19.2
137.03374	1.1
137.05899	0.7
143.19975	0.4
145.04930	1.6
147.04388	1.2
149.02249	0.4
150.03073	0.8
153.01794	5.1
153.05414	1.4
161.05907	0.7
165.01785	1.0
169.01292	4.3
171.04405	1.6
175.03862	0.8
177.05386	0.5
179.03394	0.6
181.01295	1.3
189.05478	1.7
195.02820	0.5
199.03915	2.1
203.03404	0.5
217.04951	2.0
225.36069	0.3
227.03363	1.2
231.02811	0.5
245.04425	5.9
245.45357	0.4
248.64540	0.4
254.63730	0.4
255.02876	0.7
263.05341	0.7
273.03885	12.8
283.02289	1.0
284.27774	0.4
287.05447	0.9
290.04111	0.7
301.03366	13.5
302.04044	0.5
303.04968	0.6
319.04425	100.0
320.04739	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	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
54.63857	0.6
57.03423	1.3
57.05397	0.6
61.02908	1.7
68.99777	2.8
69.03420	3.2
70.75600	2.3
70.75977	1.3
73.02897	0.9
79.94547	0.8
81.03403	2.1
85.02887	9.5
97.02876	3.7
109.02843	2.5
111.00783	2.6
127.03900	1.9
137.02327	2.6
139.57399	0.6
145.04930	1.8
153.01808	12.8
153.02939	1.3
162.31996	0.6
165.01802	4.9
166.02597	1.0
179.03398	1.8
183.02853	1.6
189.05453	0.9
195.02901	1.0
203.03461	1.5
203.86890	0.6
217.04945	4.8
245.04367	7.0
255.02962	1.1
273.03915	7.8
282.35913	0.8
290.04303	1.8
301.03281	1.5
301.11688	0.8
319.04443	100.0
320.04807	2.5
348.87976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.8
53.45142	4.1
53.87217	4.7
55.01851	6.7
55.05490	12.9
57.03408	13.8
59.37667	3.9
61.02909	6.5
67.05505	25.6
68.99760	8.2
69.03419	56.3
69.07031	10.4
69.83981	25.0
71.01350	5.3
71.04967	6.4
79.05468	24.3
81.03406	41.6
81.07053	30.0
83.04964	36.9
83.08593	7.5
85.02886	100.0
87.00808	32.0
91.05459	16.9
93.07023	23.2
95.04939	17.7
95.08565	14.5
97.02885	25.8
97.06485	5.3
99.04440	14.6
100.24372	4.2
105.01855	36.1
105.07014	14.2
107.04942	6.9
107.08572	11.9
109.02859	41.1
109.10136	9.0
111.04401	30.7
111.97399	3.9
113.02327	4.9
113.06002	7.9
115.03855	6.4
117.06985	9.3
119.08561	7.5
121.10122	6.3
125.05986	5.5
127.03890	74.6
129.05449	10.1
131.08583	7.0
133.10120	9.6
135.11679	8.1
137.05911	4.8
138.78940	4.0
145.04893	13.8
149.09572	5.0
163.11140	5.6
173.04596	10.6
195.06416	5.4
231.04982	11.8
275.81183	6.0
431.24167	4.6
481.27670	5.2
506.26804	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	481.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
52.70731	1.0
55.01852	2.1
55.05506	2.5
65.03937	1.8
67.05488	4.5
67.39562	1.2
69.03435	2.3
69.84587	7.5
70.06593	1.8
73.41492	1.2
79.05475	6.3
81.07044	4.3
83.04978	1.6
85.02923	2.1
88.03989	1.5
91.05469	9.8
93.07027	4.9
94.52505	1.0
95.04964	4.0
95.08613	4.3
105.03371	1.3
105.07020	7.2
107.04922	1.2
107.08580	14.5
109.06498	2.2
109.10146	3.9
111.00764	1.9
111.04459	1.9
115.05483	1.8
116.06219	1.3
117.07034	3.5
119.04929	7.2
119.08566	13.1
121.06520	1.7
121.10120	7.0
123.04409	100.0
124.04797	1.7
125.63338	1.1
129.06996	2.7
131.08551	14.8
133.06483	1.4
133.10104	17.0
135.04413	6.6
135.08049	2.6
135.11700	2.6
137.02347	1.1
137.05937	1.9
139.03873	37.0
143.08534	6.0
144.09308	3.1
145.06482	1.3
145.10095	9.4
147.04384	25.2
147.11670	12.7
148.63544	1.1
149.02350	1.5
149.05997	1.4
149.09561	2.0
149.13225	5.2
151.03883	14.1
153.05479	1.6
155.08560	1.5
157.10120	3.0
158.10905	4.8
159.07999	2.5
159.11661	24.3
161.05966	5.5
161.13283	2.2
163.03905	5.3
163.07446	2.0
165.05484	15.8
167.08557	1.8
169.10078	1.4
171.11736	2.7
173.09564	1.9
173.13235	21.9
174.13994	7.4
177.05475	4.3
177.09203	1.8
179.07040	4.8
181.04948	2.0
181.10097	1.5
181.89436	1.0
185.09662	2.3
187.07556	1.8
187.14795	2.8
189.05431	7.7
191.07031	3.0
191.14294	10.3
199.07655	1.3
199.11087	1.5
203.07031	3.4
205.08524	2.6
207.06554	3.0
213.12511	1.2
215.06966	1.3
215.14305	3.9
217.08557	2.6
225.46637	1.1
227.07013	1.3
229.08582	5.6
231.10126	7.1
233.15393	3.5
241.08600	4.0
241.12180	1.3
243.10049	5.4
245.11629	8.2
255.10071	9.1
257.11850	1.3
257.15277	1.4
259.13419	2.6
269.11688	5.4
271.13318	4.7
273.07559	35.1
273.12189	2.3
285.11127	1.8
293.15244	1.4
295.16742	1.5
297.14880	1.4
299.16245	1.6
301.11844	5.0
303.08728	3.1
311.16376	28.9
315.11951	1.7
317.10138	1.8
319.04538	4.5
319.12766	5.6
323.16345	1.7
325.17850	1.5
329.17410	43.7
341.17624	2.9
381.13293	3.5
383.14984	2.8
397.16345	5.7
407.14700	5.2
421.16547	1.5
423.17612	1.6
425.15665	2.1
463.21085	47.8
464.14426	1.4
464.21317	2.5
481.22198	47.8
482.14871	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	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	2.0
55.01810	0.9
55.05447	2.0
57.07010	3.1
63.47626	0.7
67.05495	7.9
69.03394	1.3
69.06997	5.7
71.68015	1.2
79.05482	12.5
81.03407	7.8
81.07044	76.1
82.07339	1.2
83.04942	1.5
84.06831	0.6
91.05464	7.7
93.07042	6.2
95.04961	6.7
95.08595	22.7
96.35151	0.8
97.06431	1.2
105.07011	9.2
107.04878	2.9
107.08575	6.1
109.02866	10.6
109.06445	2.5
109.10144	6.6
111.08067	0.8
115.05430	0.8
117.07013	7.2
119.04864	1.0
119.08573	6.1
120.04399	1.2
121.06474	6.0
121.10060	2.9
123.04376	0.7
123.07982	1.2
123.11689	14.8
128.06102	3.0
129.07013	4.1
130.07738	0.7
131.04848	1.6
131.08559	7.7
133.06389	2.5
133.10106	5.7
135.07930	2.2
135.11603	2.0
137.05878	1.9
137.08145	2.8
137.13234	43.8
138.05463	1.6
138.06541	2.6
139.03818	1.2
141.06966	4.9
142.07701	2.1
143.08546	11.9
145.06395	3.0
145.10117	9.1
147.07997	2.8
147.11623	2.2
149.09541	1.4
149.13150	1.0
151.07565	0.7
153.06946	1.0
154.07666	2.2
155.08539	4.1
156.09238	0.9
157.06363	0.8
157.10098	12.1
159.08012	7.8
159.11678	6.4
161.05867	2.2
161.09599	7.2
161.13162	1.5
163.03906	1.0
163.07513	1.5
165.06956	1.0
167.08536	21.5
168.08960	0.7
169.10114	10.0
170.07220	2.1
171.07947	1.6
171.11597	3.2
173.05792	0.7
173.09511	3.0
173.13156	2.2
175.07497	1.4
175.11072	1.1
177.09058	1.3
179.07011	0.8
179.08484	1.6
181.10059	1.7
182.10835	0.9
183.07901	2.4
183.11612	1.7
185.09595	25.9
185.13153	1.6
186.10123	0.8
187.07445	1.6
187.11145	5.7
187.14760	1.8
189.05455	0.8
189.12704	1.4
191.08556	0.9
192.09406	0.7
193.10056	1.2
195.07921	1.4
195.11618	1.3
197.09673	0.9
197.13222	1.8
199.11111	1.1
201.12674	1.2
201.16322	2.4
203.10623	4.3
205.10051	1.0
209.09578	1.4
209.13205	0.9
211.14879	4.0
213.09032	3.0
215.14287	1.3
219.11748	1.0
223.11118	1.5
225.12730	0.9
228.10231	1.2
229.04956	1.3
229.08502	1.4
229.10553	0.9
229.15881	9.7
231.10103	8.1
234.10234	0.7
235.11029	1.3
237.12669	2.2
239.14238	0.9
247.11191	0.9
249.11169	25.8
253.12326	0.9
265.12155	2.0
271.13211	1.5
283.13260	1.8
285.14819	1.5
299.12775	1.5
310.51181	0.7
311.12677	4.0
313.14331	1.0
317.13770	8.4
329.13733	6.5
331.15445	1.7
355.11752	1.1
357.13278	100.0
358.13794	4.7
359.14713	3.1
385.16531	1.1
389.24756	1.0
397.19843	0.8
407.25839	1.6
417.23999	1.6
423.21652	1.2
425.19614	2.0
435.20273	0.7
435.25497	4.6
437.23450	1.1
453.26331	11.8
454.26898	1.0
463.24838	3.2
481.15506	5.4
481.25861	51.3
482.26169	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	481.3157
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
50.47577	2.8
53.03927	7.7
55.01855	10.9
55.05260	4.4
55.05500	39.7
57.03424	15.1
64.89218	2.9
65.03920	5.6
67.05141	4.3
67.05495	79.6
69.03410	7.1
69.07058	32.8
70.06573	3.5
70.35917	10.3
71.04970	10.3
75.17131	2.6
79.05482	58.9
81.03404	39.5
81.07040	100.0
83.04980	14.4
83.08608	35.8
85.02874	17.1
85.06510	6.8
91.05461	56.3
93.07032	64.9
95.04948	35.3
95.08584	63.1
97.06512	23.0
97.10143	19.7
99.08089	4.6
105.07014	48.0
107.04947	8.5
107.08578	41.0
109.06506	18.1
109.10130	26.7
111.04441	6.9
111.08039	14.2
115.05396	3.6
117.07004	15.3
119.08562	49.7
121.06495	8.4
121.10149	21.0
123.08035	9.9
123.11687	8.2
125.09613	14.0
126.60731	3.1
129.06969	13.6
131.08537	26.1
133.06459	4.8
133.10088	31.6
135.08052	7.1
135.11671	13.9
137.05969	3.3
143.08493	14.2
145.10066	19.4
147.08028	4.9
147.11644	17.3
149.02301	4.5
149.09625	8.8
149.13223	6.1
157.08769	3.3
157.10019	16.6
159.11662	11.8
161.13228	21.5
165.12787	3.7
169.10153	5.9
171.11722	5.9
173.11787	4.3
173.13249	6.5
175.11133	11.9
179.14227	6.7
183.11665	4.1
185.13231	12.8
189.11133	9.1
193.04990	5.4
193.12198	29.5
195.13722	3.8
203.14279	12.5
209.13170	3.8
211.13264	35.5
221.15283	17.6
227.12866	4.3
229.14288	8.6
235.16835	8.3
237.07555	6.1
251.16513	3.7
253.17810	19.3
257.14877	3.1
267.15875	12.0
270.20157	3.3
271.18936	4.4
277.17828	3.5
285.16931	11.5
309.20407	4.2
309.40994	3.2
315.04822	3.6
327.96683	3.1
335.23642	3.5
343.26151	5.7
353.24677	11.3
371.25696	20.0
389.26743	29.4
407.27859	5.1
445.29410	25.3
463.30365	84.7
481.15033	7.1
481.31668	61.5
482.30942	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	482.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08670	0.6
52.66796	0.6
52.87664	0.6
55.01855	3.5
61.02911	0.9
67.05489	0.9
68.99775	0.8
69.03412	1.1
70.03946	3.5
71.93047	0.6
77.03910	0.8
83.01299	1.4
91.05459	0.9
93.03353	0.7
95.04947	1.9
97.02884	1.2
98.20772	0.7
101.02348	0.6
105.03374	1.6
107.04924	1.2
109.02852	2.2
118.87128	0.7
119.04929	2.2
120.66004	0.6
121.02845	2.0
121.06468	0.8
123.04404	100.0
124.04750	1.9
135.04384	4.8
137.02336	4.7
139.03871	9.0
141.01790	1.8
147.04396	8.4
149.02313	6.0
149.05959	1.8
151.03883	6.3
161.05948	1.0
163.03889	7.7
164.04350	0.6
165.01802	25.9
165.05446	4.6
166.02214	0.8
167.03265	0.9
175.03912	1.9
177.01802	10.6
177.05432	5.5
179.03351	10.0
183.02864	22.0
183.04430	1.3
184.03275	0.6
187.03932	1.2
189.05463	1.1
191.03348	8.2
193.01384	0.7
193.04858	1.3
195.02919	1.2
203.03391	1.4
205.01270	7.1
205.04933	6.6
207.02841	7.2
209.29091	0.6
209.93488	0.7
215.03333	2.6
217.04967	1.1
217.11928	0.7
219.02878	1.4
221.04379	5.8
223.02332	21.1
231.02876	0.9
233.04408	16.2
235.02402	3.2
237.03835	2.4
243.02785	1.5
245.04335	0.8
249.03902	8.7
251.05545	0.8
257.04230	0.7
261.03915	12.2
267.04916	9.7
277.03339	7.4
279.04913	3.6
281.04565	0.7
285.06183	0.8
291.08658	0.9
295.04425	14.3
297.05988	19.8
307.04520	0.8
313.05487	87.5
314.05881	2.4
325.05466	6.0
359.07574	1.9
383.07263	0.7
401.08640	1.5
411.07028	3.6
419.09439	1.2
429.08179	10.8
447.09167	14.5
465.10257	7.3
482.13614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
55.01863	5.0
61.02921	1.3
65.03947	0.6
67.05477	1.1
68.99781	1.0
69.03410	1.5
71.44628	1.1
75.96182	0.6
77.03922	0.7
79.05479	0.6
83.01330	1.4
85.02931	0.7
95.04949	1.6
105.03393	1.8
107.04931	1.6
109.02868	2.2
111.04468	0.7
111.21101	0.6
119.04909	1.6
121.02835	1.6
123.04413	100.0
124.04744	1.7
127.03830	0.8
133.02856	0.8
135.04398	3.7
137.02335	6.1
139.03880	9.9
141.01822	2.2
145.02826	0.8
145.48180	0.7
147.04375	8.1
149.02348	5.8
149.05954	1.3
151.03894	7.5
153.01840	0.8
158.82816	0.6
159.04424	0.6
161.02255	0.9
161.05940	0.9
163.03906	8.3
165.01808	30.7
165.05438	4.2
166.02187	0.6
173.05978	0.6
175.03848	1.4
177.01814	11.9
177.05429	7.3
179.03368	10.7
180.29050	0.6
183.02870	25.9
187.03943	1.7
189.05455	1.0
191.03352	10.9
193.01344	0.6
193.04971	1.1
195.02821	1.7
203.03424	2.1
205.01305	5.7
205.04961	8.3
207.02863	7.4
209.04390	0.8
211.07620	0.6
215.03387	1.9
217.04939	1.4
219.02885	1.6
221.04434	5.1
223.02342	16.0
231.02882	1.0
233.04416	17.3
235.02373	2.5
237.03867	2.6
243.02884	1.4
245.04634	0.7
249.03874	7.8
261.03918	11.2
267.04977	9.3
277.03372	9.4
279.04959	3.1
289.03391	1.1
291.08575	2.2
295.04419	12.7
297.06018	21.2
306.26059	0.6
313.05496	88.4
314.05795	2.1
315.12515	0.6
325.05511	6.1
327.04767	0.7
355.04236	0.8
359.07568	1.6
386.62000	0.6
387.06982	0.8
393.05661	0.7
401.08603	1.3
411.07040	3.7
419.09625	2.0
429.08148	8.1
447.09183	20.1
465.10272	6.4
482.14468	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	482.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.2
57.03408	3.0
67.05496	20.7
69.03421	5.4
69.07066	4.1
69.44724	22.5
71.04975	7.8
79.05475	4.5
81.03388	3.0
81.07046	24.8
85.02897	6.9
93.07019	7.3
95.08582	8.8
97.02859	5.0
107.08551	6.9
109.06522	2.9
109.09409	3.7
109.10137	65.9
115.03926	8.5
119.08569	5.1
125.05975	5.5
133.04929	8.5
135.04446	2.6
135.11652	6.4
137.09590	100.0
137.10652	5.0
139.03874	4.4
147.04489	2.6
153.01811	6.4
153.12732	40.9
155.10628	21.0
165.09077	64.5
177.15720	2.3
183.10179	14.2
201.11188	54.2
219.12157	2.3
269.13785	6.9
279.12271	6.0
285.16959	2.4
297.13272	50.7
303.04959	13.9
315.14355	4.5
429.17215	3.2
482.15634	2.6
483.09085	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02944	0.9
55.05503	2.0
57.03421	5.5
59.04972	2.4
60.37006	0.9
61.02921	0.9
65.57053	0.9
67.05502	5.2
69.03419	20.9
69.07052	2.6
69.76199	7.5
70.06579	3.2
71.01325	1.2
71.04980	14.4
73.02902	1.6
73.06539	3.4
79.05473	6.1
79.36288	1.0
81.07038	18.8
85.02892	15.3
86.88710	1.0
87.04456	12.1
91.05464	2.3
93.07030	15.1
95.04954	1.7
95.08600	3.9
97.02873	17.9
97.06490	2.4
98.21438	1.6
99.04425	1.5
105.07014	2.6
107.08566	10.0
109.10136	15.8
111.04417	2.6
115.03911	25.4
119.08578	1.7
125.05945	1.4
127.03899	3.3
133.04948	28.1
135.04387	1.4
135.11670	20.8
137.09593	16.7
139.03911	3.7
142.07758	1.1
142.65256	1.1
145.04979	3.4
153.01801	1.5
153.12718	100.0
154.13107	1.9
155.10641	2.9
165.09071	8.9
177.05470	3.0
201.11180	5.1
205.86845	1.1
207.91637	1.2
239.12744	3.5
257.13965	5.5
259.08276	2.4
269.13864	1.2
295.10318	1.3
297.13208	5.1
302.04208	1.8
303.04990	4.0
315.14365	1.4
429.16919	1.8
483.09109	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	482.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.4
57.03415	4.5
59.04984	2.5
67.05457	1.8
69.03422	14.9
69.07050	2.3
70.06595	1.1
70.81051	1.3
70.81380	2.6
71.04974	10.7
73.06532	3.3
79.05476	3.7
81.03393	1.5
81.07044	16.2
82.94341	1.0
85.02891	12.0
87.04452	13.1
88.06412	1.1
91.05448	2.6
93.07026	12.5
95.08567	2.3
97.02876	16.6
97.06510	1.4
97.93230	1.0
99.04445	1.7
107.08569	8.1
109.10149	4.8
115.03915	21.4
127.03902	1.9
131.08414	1.0
133.02412	1.0
133.04936	27.1
135.11682	18.1
137.09587	3.6
139.03883	11.0
145.04936	3.1
153.12715	100.0
154.13057	1.9
165.09094	2.6
201.11188	1.4
259.08084	2.2
277.09109	1.4
295.10175	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05488	2.5
57.03408	4.2
59.04999	3.0
67.05499	10.5
69.03419	16.4
69.07035	2.6
69.34139	5.4
69.34572	11.5
70.06582	3.6
71.04974	15.3
73.06520	4.2
79.05505	6.8
81.03400	1.9
81.07046	27.3
85.02893	13.9
87.04452	12.5
91.05447	3.6
93.07021	14.4
95.04956	3.3
95.08619	7.4
95.56787	1.6
97.02877	18.2
99.04460	1.6
107.08581	8.3
109.06474	1.5
109.10135	31.2
115.03905	21.3
119.08553	2.8
125.05975	2.0
127.03981	2.2
133.04948	21.3
134.72287	1.5
135.11655	18.5
137.09596	33.0
139.03886	3.2
145.04958	2.6
153.01820	1.9
153.12721	100.0
155.10620	7.1
165.09102	21.0
183.10126	3.1
201.11189	13.2
205.92946	1.5
236.40094	1.6
240.54550	1.6
257.13644	1.7
269.13913	2.3
279.12082	1.5
285.16785	2.6
295.10370	1.4
296.02750	2.0
297.13275	13.4
302.04047	2.4
303.04965	7.1
306.15854	1.4
315.14380	2.2
348.66602	1.7
357.05325	1.6
429.17291	1.7
483.09030	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
56.05019	1.3
57.03417	0.7
57.07066	3.2
58.06343	0.3
58.06598	1.3
60.08155	15.8
67.05494	1.0
69.07047	0.5
69.43627	2.1
69.44044	0.9
71.07364	6.4
71.08611	1.9
81.07033	0.9
82.98824	0.3
85.10162	1.6
86.09695	49.8
87.10023	0.5
95.08581	1.4
97.10180	0.4
98.21521	0.5
98.98447	3.8
104.10728	99.5
105.11064	0.5
109.10164	0.5
124.99982	27.8
143.01065	0.4
144.92709	0.3
163.01538	0.7
184.07318	100.0
185.07687	0.7
258.11011	1.1
299.25671	2.5
302.81412	0.3
405.23706	0.4
464.25143	0.6
464.31317	7.5
482.32361	22.6
483.32886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.9
62.48048	0.4
69.45312	4.6
75.10040	0.4
81.12910	0.5
98.97569	7.7
108.87662	0.5
116.98605	10.5
129.32637	0.4
130.93248	0.5
134.31978	0.5
134.99631	7.7
147.90092	0.5
150.97598	0.7
153.00650	1.7
156.96652	0.6
158.01285	0.6
165.63177	0.5
174.97630	3.7
190.95457	1.4
192.98674	5.8
195.84625	0.4
208.96642	1.5
214.95618	1.9
216.98656	2.5
232.96643	12.7
233.96776	1.1
234.99715	6.2
238.95537	1.1
240.98679	0.7
250.97720	18.3
251.97868	1.3
253.00696	0.6
256.96643	15.9
257.97015	0.7
258.99854	5.5
260.00012	0.7
260.99811	0.9
273.99103	0.6
274.97693	68.0
275.97855	4.5
276.97778	1.4
277.00842	8.6
278.00909	1.6
279.00812	0.6
280.96579	2.5
283.00009	6.4
284.00079	1.4
284.99692	0.9
290.95471	0.8
292.98718	17.1
293.98892	0.9
297.99347	2.6
298.97696	47.8
299.97726	3.0
300.97839	1.1
301.01004	11.8
302.01282	1.5
303.00800	1.6
307.97409	0.5
314.95407	0.7
316.00650	0.7
316.98770	100.0
317.98904	6.3
318.98999	2.2
332.96667	1.7
334.99832	2.9
338.95328	0.6
340.00427	6.0
340.98965	1.8
356.96887	0.5
358.99863	5.2
360.00055	0.7
365.98254	0.5
374.97943	2.9
375.98007	0.8
377.01154	0.6
380.96878	0.9
397.99274	0.7
398.97748	2.6
401.01160	1.6
402.01147	1.0
403.00983	0.6
416.98840	8.6
417.99072	1.3
422.97803	5.2
425.00992	1.4
440.00638	0.8
440.98846	51.3
441.98944	4.6
443.02838	3.5
444.02756	1.0
445.02081	0.9
458.99918	77.5
460.00052	6.7
460.99850	1.5
482.01498	9.2
483.01523	4.0
501.02618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
56.96560	20.0
58.38801	1.0
59.19803	0.9
62.42622	0.8
69.03408	1.2
70.06576	1.1
70.09792	5.4
79.05491	1.0
84.04508	4.6
84.08141	1.0
84.22547	0.9
84.96025	4.1
85.02853	1.7
89.03881	2.6
91.05468	1.2
93.03362	1.2
96.04469	1.0
98.97565	77.0
107.04940	2.2
110.97553	4.1
111.04429	1.0
112.99093	1.5
116.98603	48.6
117.03378	1.5
120.08079	6.4
123.04377	2.9
126.05486	3.9
127.00690	0.9
127.03880	1.2
128.98576	9.2
131.00127	3.3
133.06076	1.0
134.99648	25.5
135.04416	6.0
135.05318	1.0
139.03868	5.0
140.00166	1.9
140.15575	0.9
143.00183	4.3
145.01691	3.1
145.02867	2.7
146.99644	8.3
147.03252	3.3
147.04320	1.3
149.01169	2.7
150.28943	1.0
152.98582	2.6
153.00664	2.9
153.05341	1.1
158.01219	1.3
158.99634	32.7
161.01225	6.6
162.99097	2.9
163.02728	1.9
163.03889	17.0
164.04218	2.0
165.00713	2.3
165.04353	3.5
170.99644	3.6
171.03220	2.8
175.02739	1.2
177.00700	47.2
179.02197	1.3
184.02701	1.4
187.02692	1.5
189.00711	4.7
189.04298	15.7
193.03853	1.3
195.01772	4.3
200.02274	3.3
201.00752	1.6
201.04283	1.7
204.08678	1.8
205.00127	1.5
207.05389	3.5
219.01747	12.6
231.05443	3.7
237.00679	2.9
237.02780	27.2
245.05191	1.2
249.06474	2.0
255.01631	2.5
255.03952	2.0
260.04245	1.4
273.02844	3.4
280.12854	2.9
291.07458	24.1
309.08533	100.0
310.08832	1.4
321.09967	1.0
332.10202	4.7
337.07809	1.9
348.07086	0.9
354.06931	2.2
367.09207	5.0
393.14066	2.7
407.12238	18.1
411.06104	1.5
429.07040	3.8
465.12885	19.1
483.14130	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	483.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01869	2.5
55.05506	0.4
67.05474	0.8
68.99760	0.7
69.07063	0.3
70.66309	0.9
77.11163	0.2
79.05478	1.0
81.03390	0.4
81.07040	0.9
91.05473	1.0
93.07024	0.8
95.04951	1.0
95.08591	0.7
97.06504	0.5
105.07021	0.6
107.04939	6.1
109.10146	0.4
111.04454	0.5
113.21591	0.3
115.05441	0.5
119.08540	0.3
121.06480	0.5
121.10069	0.4
123.04463	0.3
128.06178	0.4
129.06964	1.2
133.10036	0.4
137.05894	0.3
139.03883	0.9
141.06970	7.7
143.08534	0.8
144.05725	0.3
149.02341	0.7
152.06184	2.2
153.05688	0.5
153.06966	12.3
154.07620	0.4
155.04898	0.3
155.06007	0.3
155.08531	4.8
157.06465	4.5
165.06979	17.2
166.07518	0.3
168.05684	1.1
169.06485	2.0
171.04388	0.5
171.08043	1.8
173.13097	0.3
181.06453	15.0
182.07176	1.2
183.08040	6.0
184.05179	0.6
185.05873	0.4
193.06456	5.5
194.07228	1.0
196.05168	8.3
197.05904	1.0
199.07518	6.8
209.05933	4.0
210.06760	1.8
211.07512	30.4
212.07896	0.5
224.08252	0.7
225.05428	0.9
225.09053	3.4
227.06993	13.6
228.07367	0.4
238.07988	0.4
239.06992	100.0
240.07370	3.2
259.09683	0.4
316.09583	0.3
330.12009	0.3
465.30884	0.5
483.17978	3.3
483.31470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47749	3.2
55.05502	18.7
57.03411	4.6
57.07056	10.5
59.03554	3.2
69.07047	23.4
83.08595	16.8
85.10174	3.8
97.10143	13.5
98.21082	20.5
98.98459	10.6
109.10139	3.7
155.01071	9.0
227.20151	3.8
311.25775	100.0
447.24796	7.5
461.40817	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	483.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.8
55.01860	2.6
55.05501	18.2
56.93110	1.8
56.96554	2.2
57.03428	9.6
64.47819	1.7
65.03905	2.2
67.05495	61.4
67.19198	1.7
69.03422	3.2
69.07061	17.8
70.06585	1.5
71.04986	6.1
77.03958	2.2
79.05482	48.8
81.03420	4.0
81.07044	78.1
81.89433	1.7
83.04974	6.2
83.08604	14.9
85.02872	2.7
85.06529	6.5
91.04919	3.4
91.05468	48.3
91.06036	2.6
93.07030	60.5
95.04948	14.0
95.08590	49.8
97.02848	1.9
97.06516	7.7
97.10165	5.7
98.20702	2.6
99.08063	2.9
101.09447	1.5
103.05416	3.6
105.07012	42.0
107.04962	3.7
107.08576	32.4
109.06498	6.0
109.10144	15.5
111.08072	5.7
116.98550	2.5
117.07014	14.6
119.08567	26.9
121.06500	7.8
121.10119	27.6
123.08050	6.1
123.11690	5.4
125.09601	3.2
127.03891	2.0
129.06979	8.6
131.08553	28.5
133.10110	23.5
134.42337	1.6
135.08095	4.2
135.11667	12.3
137.09592	2.9
139.03831	2.5
141.06952	3.3
143.08502	11.5
145.10103	23.2
146.99603	2.0
147.08044	1.7
147.11636	13.4
149.09515	4.0
149.13239	5.8
155.08524	4.7
157.10078	8.9
159.11673	10.5
161.13234	4.7
163.03903	4.1
163.11232	3.1
165.12787	3.0
168.05710	3.1
169.10098	5.5
171.11658	8.5
173.13278	6.7
175.07477	2.9
175.14807	2.6
177.12801	3.1
181.10202	2.2
183.11694	4.4
185.13263	6.8
187.14740	3.1
189.16438	2.0
195.13774	4.0
196.05167	91.6
197.05605	4.8
197.13271	3.7
199.14868	5.9
201.16266	2.7
203.14337	2.3
207.13689	2.5
209.13335	1.8
211.07512	100.0
211.14774	4.7
212.07846	7.9
213.16435	3.3
217.15941	2.7
221.15355	2.8
225.05481	3.8
225.16403	3.5
229.15877	2.5
235.16960	3.3
239.06990	78.7
240.07637	12.0
247.16974	3.8
249.18460	2.1
257.19067	2.2
261.18463	3.4
337.25089	9.0
343.26285	7.6
355.26291	22.9
373.27209	16.4
391.28363	4.8
429.29971	7.4
435.30911	4.7
447.31036	11.9
465.31961	11.6
483.17834	7.4
483.33118	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	485.2891
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.02375	0.1
55.05508	0.5
57.07066	0.2
63.02364	0.1
65.03929	1.1
67.05487	0.3
69.03419	0.2
69.07059	0.3
69.50255	0.4
69.50684	0.6
71.04982	0.2
77.03905	0.1
78.04697	0.4
79.05471	0.5
81.03403	0.4
81.07052	0.2
85.06539	0.2
89.03899	0.1
91.05466	46.2
92.05817	0.5
93.07027	0.3
97.02886	0.2
97.06486	0.2
103.05448	0.5
104.06231	3.7
105.07014	9.0
107.08549	0.1
111.08049	0.6
117.07011	0.4
123.08045	0.4
127.07545	0.2
129.09100	0.1
130.71123	0.1
131.08562	0.7
133.10107	100.0
134.10435	1.7
137.09615	0.1
147.08043	2.6
147.09096	0.1
149.09560	0.7
151.07428	0.1
153.09087	0.3
169.08592	0.2
171.10088	0.4
171.11501	0.1
189.11148	0.2
190.94614	0.1
274.20242	0.1
485.28790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
53.03925	0.6
55.05490	0.3
57.63826	0.2
67.05486	0.7
69.07021	0.3
69.67056	0.2
69.82032	2.1
70.06560	0.6
75.50793	0.2
75.91560	0.3
78.03438	5.8
79.05492	0.4
80.04998	3.1
81.07047	0.4
83.04972	0.5
84.22621	0.3
86.09684	0.9
91.05445	0.5
93.07030	0.5
95.04928	0.4
96.04472	4.6
97.06520	0.4
99.04425	0.3
105.06992	0.7
106.02895	20.2
108.35982	0.3
109.06477	0.4
109.10116	0.4
111.04420	0.8
117.06995	0.7
119.08553	0.4
121.06479	0.3
124.03926	100.0
125.04272	0.6
129.06995	0.6
131.08537	0.9
133.06523	0.3
133.10097	0.5
139.03886	1.1
141.06950	0.5
142.07762	0.8
143.08507	1.8
145.10138	0.6
147.07953	0.4
155.08536	0.4
157.10120	0.5
159.08044	2.5
160.08789	0.8
161.09615	1.9
162.10281	0.3
165.07050	0.4
167.08505	1.4
169.10114	0.6
177.09233	0.4
179.08522	0.5
181.10097	0.9
183.11633	0.4
185.09552	0.8
187.07465	0.3
189.08989	0.4
192.09317	0.3
193.10120	0.3
194.10844	0.3
199.11179	0.4
207.11713	0.7
209.13280	0.5
225.12752	0.6
229.15477	0.4
235.11108	1.1
236.89880	0.3
243.13789	0.4
249.11223	0.4
253.12274	2.0
271.13150	2.2
299.12802	0.7
317.13730	3.1
328.19534	0.3
359.97540	0.3
433.38495	0.3
440.16953	1.7
486.17493	62.8
487.17856	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
54.31684	0.9
55.01861	2.6
55.05496	8.5
56.05018	1.4
57.07059	2.4
58.99567	17.7
59.04973	4.3
63.23799	0.9
66.55290	1.1
67.05138	2.3
67.05489	38.8
69.03410	3.8
69.07055	8.1
70.06570	3.6
71.04974	2.9
71.67974	1.1
71.68349	1.1
72.08138	1.8
73.01080	1.7
74.00651	1.4
76.02210	68.9
76.03989	3.7
79.05472	8.5
80.04988	1.3
81.03385	2.2
81.07040	33.2
83.04955	2.8
83.06081	3.4
83.08591	3.2
84.04490	20.2
84.08137	2.2
85.02879	3.2
85.06519	1.7
85.77061	1.0
86.99022	4.3
88.02226	1.4
91.05460	9.0
93.07024	14.5
95.04942	6.6
95.08585	51.2
97.06509	2.5
98.06010	1.3
99.05554	2.2
103.07568	1.6
105.07001	10.1
107.04925	2.0
107.08575	9.7
109.02816	1.1
109.06499	3.8
109.10132	32.8
111.02650	1.4
111.04412	1.3
112.03962	1.3
113.04210	1.9
116.01650	23.5
116.10691	2.0
117.06976	1.5
119.08553	14.5
120.08048	1.5
121.06459	1.1
121.10133	4.5
123.08050	4.3
123.11681	1.5
124.03951	1.6
127.03896	2.2
129.06595	3.9
130.04939	6.2
130.06810	3.2
130.08623	1.3
131.08517	1.3
133.10107	5.5
134.09622	1.9
135.08058	1.3
135.11658	2.7
137.09596	3.5
142.03191	5.6
143.08528	1.5
144.01129	13.0
145.06050	1.6
145.10086	1.4
147.06801	1.1
147.11641	1.4
151.14787	25.8
159.11687	1.4
161.13239	10.7
162.02165	46.8
163.03883	1.4
170.02675	2.6
179.04814	100.0
179.14267	36.9
187.05371	3.7
214.18005	1.5
215.04805	1.6
216.06886	2.5
219.11896	1.3
233.05846	16.9
233.09509	2.5
236.14578	3.5
237.13037	2.5
238.15025	1.3
245.05838	2.2
291.06476	2.6
308.09009	12.2
339.17255	16.2
347.12299	2.5
357.18161	1.4
388.19620	5.0
393.18216	2.1
411.19443	16.8
468.21347	4.3
486.22504	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	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
53.06795	0.9
54.79291	0.9
55.01854	1.2
55.05503	11.1
56.05009	2.5
57.03405	1.5
57.07068	1.6
58.99576	14.0
59.04713	0.9
59.04979	3.2
61.01115	1.7
65.03931	1.2
67.05497	35.7
69.03407	3.2
69.07053	7.0
70.06576	4.4
71.04988	1.9
71.08621	1.2
71.31174	1.9
76.02216	62.8
76.03963	2.3
77.03912	0.9
79.05481	9.2
80.04967	1.4
80.05865	0.9
81.03416	1.5
81.07043	29.1
81.25105	0.8
81.43578	1.1
83.04964	2.6
83.06089	3.4
83.08605	4.0
84.04488	23.8
85.02899	2.0
85.06532	2.3
86.06039	1.4
86.09692	1.2
86.99029	4.6
87.02681	1.7
88.02210	1.6
91.05463	7.8
93.07030	12.6
95.04952	4.3
95.08593	49.8
96.25544	0.9
97.06517	2.4
99.04371	1.1
99.05564	1.4
100.11239	1.1
103.07565	2.7
105.07016	9.6
107.04965	1.5
107.08562	6.5
109.02890	1.0
109.06496	5.5
109.10143	34.3
110.10439	1.9
112.03961	1.6
113.04234	2.5
116.01662	26.1
116.10688	1.4
117.06999	1.7
119.08558	11.6
121.10132	5.0
123.04361	1.0
123.08054	3.6
123.11606	1.4
129.06604	3.3
130.04999	5.4
130.06850	3.4
131.08537	1.5
133.10129	5.0
134.09583	2.7
135.08018	1.7
135.11661	2.1
137.09587	5.0
139.05779	1.9
142.03172	6.3
142.04915	1.0
142.08672	1.7
144.01131	13.0
145.06035	1.5
145.10094	1.2
147.11714	0.9
151.14803	23.2
161.13249	11.0
162.02174	42.8
170.02623	2.3
173.11687	1.5
176.14194	1.1
178.15810	1.3
179.04828	100.0
179.14284	35.3
187.05357	3.5
198.07683	1.4
203.14313	1.6
203.17702	1.1
209.33716	1.1
215.04785	1.4
216.06955	1.3
226.14336	2.5
233.05894	18.4
233.09459	2.2
236.14650	2.3
237.12950	2.0
245.05879	3.9
262.04578	1.0
291.06363	1.4
308.09116	15.7
339.17352	13.0
388.19537	6.9
393.18240	2.0
411.19406	17.6
468.21509	4.1
486.22415	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0832
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
55.01864	0.7
55.05492	1.8
69.03407	0.7
69.07047	0.5
70.06578	3.1
70.29733	1.1
70.30141	1.8
79.05470	0.6
81.03391	0.7
81.07035	0.8
83.04982	0.6
83.08592	0.7
84.08109	1.4
85.02891	1.3
86.09700	2.5
93.07022	0.8
96.08096	1.1
97.02882	0.8
97.06530	0.8
99.04451	0.7
100.07616	0.6
100.11225	3.8
101.11557	1.4
111.04440	0.7
113.91245	0.5
128.07074	0.5
163.03860	0.6
179.64561	0.5
183.15700	0.7
185.04163	7.9
204.81000	0.6
210.82910	0.5
211.15179	0.7
254.13545	1.2
254.63446	0.7
271.07047	0.5
287.05392	0.8
313.93268	0.5
324.02246	6.2
325.03113	15.7
326.06522	2.0
361.02411	2.0
366.05612	0.6
379.04340	0.6
486.33661	0.9
487.08408	100.0
487.20029	2.6
488.08524	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	487.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	12.4
58.06572	4.8
65.28936	1.3
69.03400	2.2
69.36105	12.8
72.27312	1.2
75.09221	5.7
75.31606	1.1
78.05977	1.1
81.03405	1.3
84.95982	1.5
85.02874	4.0
97.02872	2.7
98.97565	31.5
103.89161	1.3
109.02785	1.3
110.97556	7.9
112.99111	45.6
116.98598	17.9
123.04446	1.3
127.03941	6.4
128.98572	10.1
131.00146	72.6
133.03418	1.6
134.99608	3.5
135.04372	2.6
139.03877	4.3
143.00122	4.8
143.01866	1.9
145.01689	2.3
146.99593	5.9
149.00031	2.2
149.01198	37.7
151.03897	1.7
157.01720	1.2
158.99626	9.1
161.01183	3.8
163.02696	2.0
163.03896	9.6
167.02223	3.3
170.99634	4.9
172.02798	1.3
173.01184	23.8
175.02773	4.6
177.00642	7.6
178.04865	3.2
181.04883	1.2
182.99545	1.3
187.02777	3.2
189.00642	3.6
191.02238	23.0
193.03844	11.6
201.00677	8.0
205.03751	1.7
211.04875	9.0
214.03902	1.7
217.03893	1.7
219.01718	31.0
219.07220	1.4
222.26456	1.4
227.02243	1.2
233.03284	7.8
235.04784	2.1
237.02780	45.2
238.03363	1.1
242.03421	1.4
247.04907	1.4
249.06339	1.4
250.07030	2.1
255.03761	3.1
257.04184	3.5
259.07449	3.1
261.02747	4.6
263.04465	4.3
275.04279	11.0
279.03815	2.4
281.05313	10.4
287.05545	1.7
293.05359	13.4
299.05487	1.2
321.04947	1.4
321.10403	6.4
337.07986	100.0
338.08310	3.2
351.05789	2.4
355.09042	93.4
356.09509	2.9
362.10065	1.6
378.10593	5.2
427.11319	6.4
469.12277	19.3
487.12518	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	487.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.1
53.03938	10.3
55.01852	3.9
55.05500	24.5
55.92020	1.0
57.03422	3.6
57.07058	1.8
59.04969	0.9
60.20526	0.9
65.03921	5.2
67.05493	69.5
68.04725	0.9
69.03400	1.0
69.07054	15.8
71.04971	4.0
73.06521	2.6
77.03908	1.8
79.05479	100.0
81.03397	13.0
81.07041	59.9
83.04964	17.9
83.08249	0.9
83.08617	9.4
85.06507	3.2
91.05465	89.2
93.07026	80.8
94.07361	1.2
95.04952	36.8
95.08590	37.7
97.02880	1.2
97.06507	7.4
97.10152	3.3
99.07999	1.1
103.05429	2.1
103.13518	1.0
105.04504	2.7
105.07011	61.7
107.04933	8.6
107.08577	25.0
109.06499	10.8
109.10154	6.8
111.08038	2.2
111.89793	1.1
115.05418	1.8
117.07002	12.7
119.04942	1.4
119.08556	35.5
119.34039	0.9
120.08905	0.9
121.06464	4.9
121.10104	6.4
123.08040	7.7
125.05953	1.3
127.07529	1.9
128.06221	4.9
129.06975	26.0
131.08537	5.2
133.06487	1.9
133.10107	13.4
135.07962	1.7
135.11649	3.2
137.09579	1.3
141.06876	1.1
143.08528	13.0
145.10103	13.8
147.07982	4.4
147.11655	42.8
155.08542	1.7
156.09326	1.3
159.11662	2.7
161.09547	5.0
161.13231	20.1
163.11165	3.0
169.10201	1.6
171.11661	41.5
179.14253	5.7
180.26405	1.0
184.89717	1.0
185.59036	0.9
189.12711	17.6
207.11792	2.1
207.13762	42.6
225.14795	11.2
229.35237	1.2
263.16403	1.7
281.17456	4.5
284.16846	1.1
289.42242	1.1
296.57053	0.9
469.29077	1.4
487.30392	47.0
488.30606	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3411
Annotation	Acerinol
Peak:m/z	Relative Intensity
52.39766	1.1
53.03928	2.8
55.05502	14.1
57.03417	4.6
57.07055	1.3
59.04990	1.4
61.59127	1.1
65.03941	1.5
67.05494	39.1
67.50137	1.0
69.07063	10.7
69.45661	2.2
69.46072	9.9
71.04974	2.2
79.05483	16.8
81.07042	20.8
81.07487	2.0
83.04933	1.4
83.08601	7.3
85.06487	1.7
91.05466	20.0
91.83531	1.0
93.07034	14.5
95.04945	2.6
95.08590	16.0
95.64716	1.1
97.06531	2.2
97.10159	4.2
98.20646	2.2
98.21346	3.2
103.05387	1.1
105.07011	27.3
107.08562	10.0
109.06514	1.5
109.10139	20.4
110.64367	1.0
111.08082	2.0
115.05427	1.3
115.13380	1.1
117.06978	12.8
119.08555	22.5
121.10105	5.5
125.09628	2.3
128.06219	3.0
129.06981	10.3
131.08553	23.4
133.10118	12.9
135.08086	1.2
135.11673	3.1
141.06996	3.3
142.07803	2.8
143.08536	13.7
145.10100	23.0
147.11653	8.1
149.13252	1.9
155.08557	7.2
157.10109	13.0
159.11667	18.6
161.13232	2.6
167.08551	2.1
169.10133	9.1
171.11638	12.0
173.11740	5.3
173.13284	10.9
175.14743	1.2
181.10156	3.7
183.11629	5.8
185.13248	12.3
187.14799	4.1
191.14412	1.4
195.11661	4.1
197.13139	5.0
199.14813	6.8
201.12758	1.5
207.11633	1.5
209.13274	4.8
211.14839	3.3
213.16452	1.6
215.17877	1.4
223.14842	2.5
223.52728	1.2
225.16463	2.7
229.14316	1.5
239.17996	2.2
241.19579	2.7
253.19460	2.0
255.17520	1.4
257.18802	1.7
259.20523	5.3
265.19595	1.4
269.19080	2.3
271.20410	1.9
283.20670	3.8
287.20050	1.3
297.22202	2.2
299.19974	1.6
309.22061	1.4
313.21625	1.3
315.23184	2.0
322.63678	1.2
353.25040	1.1
367.29950	1.9
370.47870	1.1
375.25427	2.7
377.28165	7.3
395.29395	18.0
413.30203	5.5
431.31830	2.4
451.32074	2.2
469.33020	7.0
487.34164	100.0
488.34399	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	488.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27368	0.3
53.03938	0.4
54.64601	0.3
55.01854	0.5
55.05495	0.3
57.07064	1.3
65.03930	0.8
67.05509	0.7
68.99773	0.3
69.03424	1.7
69.07045	0.7
70.23090	0.6
70.23499	1.2
71.04993	0.6
73.02901	0.4
79.05470	0.5
81.03407	1.8
81.07044	1.1
82.07341	0.3
83.08610	0.4
84.08109	0.5
85.02899	2.7
87.00806	1.5
91.05453	0.6
93.07027	0.9
95.04926	0.4
95.08592	1.2
96.08955	0.4
97.02870	1.4
99.04417	0.7
105.01868	0.8
105.07042	0.6
107.08567	0.7
109.02864	1.5
109.06496	0.4
109.10094	0.6
117.01820	0.3
119.08541	0.5
121.02852	2.3
121.10108	0.4
127.03912	1.5
131.08516	0.4
133.10135	0.4
140.22067	0.3
145.04941	0.3
149.02315	100.0
150.02687	0.9
151.31813	0.4
159.02905	0.7
159.11734	0.4
165.09096	0.4
167.03339	1.9
180.26595	0.3
190.05003	0.8
205.08572	3.3
223.09618	12.9
388.65155	0.4
400.17422	0.3
488.29462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
54.41003	0.9
55.01848	1.8
55.05497	2.5
57.03424	2.1
67.01863	1.1
67.05495	8.7
69.03413	12.7
69.07056	1.8
69.92892	5.8
70.06573	2.7
71.01346	2.3
71.04968	3.9
72.08137	1.2
79.05489	1.7
81.03407	11.6
81.07032	4.3
83.04982	1.0
84.08135	1.7
85.02888	12.1
86.09677	1.0
91.05453	2.0
93.07020	3.2
95.04945	2.6
95.08585	2.6
97.02872	100.0
98.03172	1.5
98.21476	0.9
99.04435	4.3
105.07000	1.5
107.08578	7.4
109.02867	12.9
109.06501	2.2
109.10133	13.9
111.04438	1.0
119.08524	4.6
121.06487	2.2
121.10130	3.0
123.04410	1.5
123.08028	2.2
127.03886	20.1
133.10101	1.8
135.08005	5.0
135.11649	3.8
137.05922	1.1
137.08589	1.9
137.09587	28.8
139.03946	1.2
145.04926	6.0
149.13210	4.4
155.10622	2.6
155.38412	0.9
159.11673	2.8
163.03903	1.2
164.15868	1.0
165.09085	21.4
175.17307	1.0
177.12721	11.5
181.08582	1.3
183.10095	1.7
195.13777	10.0
201.11139	2.2
223.13245	8.0
231.09775	0.9
241.14305	7.5
245.11594	1.4
309.13116	3.1
327.14331	3.1
386.15799	1.1
415.19168	1.5
439.18201	1.5
461.19720	1.6
489.19156	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	489.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.05029	4.5
63.44077	0.4
67.04238	1.1
67.05503	0.7
69.03419	0.8
69.69929	1.0
69.70348	2.7
70.06573	1.9
72.08154	1.1
79.05470	0.8
79.12339	0.4
80.04996	1.8
81.07064	0.5
82.06570	15.8
84.08131	100.0
85.02914	0.6
85.08462	0.8
86.09704	1.4
88.46006	0.4
89.79816	0.4
91.05471	1.2
93.07040	1.2
94.06561	0.4
95.04951	0.8
96.04473	0.5
97.02865	0.8
98.20745	0.5
105.07020	1.0
107.04959	0.6
107.08607	0.6
108.04475	1.4
110.06015	1.3
117.07002	0.5
119.08562	1.0
120.08123	0.8
121.06495	0.5
122.05976	0.5
123.04449	0.5
123.08128	0.4
128.07056	9.4
129.06914	0.5
129.10234	0.4
130.08641	1.7
131.08560	0.8
134.09634	1.0
135.11623	0.4
136.07574	1.3
137.09592	0.6
143.08560	1.3
145.10161	0.7
146.06033	0.7
148.07513	0.6
148.11177	0.9
149.10735	1.1
150.09140	0.7
154.07764	0.6
157.10110	1.4
158.09677	1.3
159.08022	0.6
159.09219	0.7
159.11618	1.0
167.08527	2.8
169.10176	1.2
174.09157	1.7
174.11526	0.9
176.10724	0.8
176.13065	0.9
177.12794	0.5
184.11176	0.5
185.09653	2.3
187.11205	0.9
205.12262	0.6
209.68457	0.6
213.12344	0.8
216.80695	0.5
223.13338	1.0
231.09956	0.6
249.11241	1.3
289.14236	1.0
296.12692	0.5
314.13629	0.6
316.15479	1.0
317.13937	0.7
332.14969	0.5
334.16830	0.9
354.20529	0.5
360.14398	1.3
362.15967	2.0
379.19687	0.5
381.22055	0.5
396.18024	3.2
397.21176	1.1
398.19958	1.0
408.18198	0.6
414.19046	1.1
415.22113	1.2
425.20700	6.8
426.19052	2.7
427.22461	3.5
443.21704	14.6
444.16324	0.7
444.21991	0.8
445.23462	3.2
489.22284	76.8
490.17059	0.6
490.22662	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	489.2225
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
53.65744	0.4
55.05489	0.6
56.05029	2.8
58.98924	0.5
59.22052	0.4
67.04251	0.7
67.05481	1.6
69.03416	0.9
70.06570	1.8
71.69650	0.6
72.08134	1.2
80.05000	1.3
81.03406	1.0
81.07028	0.7
82.02930	0.9
82.06567	9.1
83.07336	0.7
84.04470	0.5
84.08124	64.0
85.02879	1.9
85.07657	0.4
85.08444	0.6
86.06052	0.9
86.09695	0.9
91.05447	0.8
93.07023	0.7
95.04910	0.6
95.08582	0.5
97.02871	4.5
105.07002	1.3
107.08588	0.6
108.04468	1.9
109.02837	1.3
109.10141	1.0
110.06031	1.5
117.07006	0.7
119.08554	0.7
120.08093	0.6
121.02856	0.9
121.06512	0.7
123.04445	0.7
127.03895	1.9
128.07054	2.1
129.06917	0.7
130.08675	0.6
131.08545	0.9
132.08064	1.1
134.09622	1.3
134.99612	0.4
135.08076	0.4
136.07570	0.7
137.09607	2.6
139.03883	1.0
143.08514	1.3
145.04889	0.7
145.10104	1.0
146.09621	0.9
148.07552	1.2
149.10727	1.0
157.08844	1.4
157.10139	1.2
158.09616	2.9
159.08043	0.7
159.09209	1.7
160.07635	0.6
161.09575	0.8
162.09135	1.4
163.03935	0.5
165.09099	2.5
167.08530	2.1
169.10118	0.7
173.10793	0.5
174.09157	1.7
174.11523	2.8
175.12325	0.9
176.10655	0.5
177.12762	0.6
184.11198	0.7
185.09512	2.4
187.11159	0.7
191.11778	1.0
192.12534	0.5
195.08118	0.5
200.89194	0.5
203.10771	0.5
205.12170	0.5
213.09109	0.5
213.12344	0.5
223.13344	0.9
231.10114	0.6
249.11247	0.7
252.13863	0.6
270.14807	0.6
297.03854	0.6
314.13876	1.6
316.15475	1.4
332.14761	1.1
334.17529	0.8
346.16620	0.5
360.14432	0.9
362.15988	1.4
379.20093	1.3
380.18326	0.9
396.18008	7.8
397.21329	3.6
398.19681	2.3
408.18164	1.4
415.22171	2.3
425.20648	13.9
426.19043	0.7
439.18539	0.6
443.21698	22.1
444.22028	0.7
457.19873	0.8
461.22586	0.8
465.39993	0.5
489.22266	100.0
490.22580	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01406	2.0
53.03930	4.1
55.05503	16.1
56.55184	2.0
57.03423	15.2
57.07060	3.4
67.05495	61.6
69.07049	17.0
70.88277	2.8
70.88612	5.2
71.08589	2.2
73.42600	2.1
76.88433	2.1
79.05481	43.9
81.07043	74.8
83.04980	2.4
83.08598	6.8
91.05466	30.9
93.07033	60.9
93.07587	4.9
95.04941	3.7
95.08592	51.7
95.09196	3.2
97.10165	3.3
98.98452	80.5
105.07009	29.9
107.08577	31.7
109.10126	31.1
116.99526	2.3
117.07014	11.4
119.08578	20.5
121.10135	31.5
123.08067	3.3
123.11694	10.4
125.09665	3.5
129.06972	2.8
131.08543	19.7
133.10110	20.1
135.11665	20.9
136.99973	3.2
137.09630	3.9
137.13251	6.5
143.08569	2.5
145.10133	15.0
147.11679	14.5
149.13220	12.6
151.14877	2.4
155.01021	69.8
157.10143	2.6
159.11610	11.3
161.13272	11.1
163.14810	8.3
173.13260	11.4
175.14806	7.7
177.12688	2.4
187.14767	7.2
201.16353	3.6
205.15790	2.3
211.03687	8.2
229.04698	9.4
243.21063	21.2
261.22113	43.6
299.23810	3.5
317.24719	18.4
335.25763	100.0
335.29788	5.3
368.29678	2.3
379.29953	3.1
397.31265	3.2
415.22607	4.6
423.24017	2.5
471.24982	15.1
489.29004	3.4
489.35773	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3567
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.53068	1.0
53.03947	1.8
55.01867	1.8
55.05501	17.4
57.03419	2.7
57.07063	1.4
58.87506	1.0
59.04976	2.3
65.03930	2.6
67.05495	73.4
69.07052	14.3
69.36612	7.7
69.37027	3.0
71.04976	2.5
79.05477	26.4
81.07044	37.6
83.04948	2.5
83.08615	7.4
85.06528	2.2
91.04928	0.8
91.05458	23.3
93.07027	31.9
95.04959	3.3
95.08588	26.6
97.06513	2.9
97.10154	4.6
98.21416	2.0
99.08077	1.8
103.05479	1.3
105.07011	25.0
107.08573	19.8
108.08849	1.2
109.06455	1.4
109.10136	38.2
111.08079	3.2
111.16264	0.9
117.07000	8.5
119.08562	25.6
121.10131	16.5
123.08041	1.5
123.11712	3.0
125.09634	2.2
127.11288	1.0
128.06198	1.4
129.06963	4.6
131.08546	17.3
133.10104	17.0
135.08063	1.7
135.11646	9.7
137.09595	1.8
138.42230	0.9
139.11121	1.5
141.07019	2.0
143.08533	7.0
145.10112	15.4
147.11649	13.7
149.09552	1.2
149.13249	4.4
155.08545	3.8
155.10628	1.3
157.10062	6.3
159.11699	11.7
161.09615	1.4
161.13205	7.3
162.84840	0.9
163.11232	1.2
163.14810	2.2
169.10036	2.0
171.11670	6.4
173.11723	7.4
173.13254	8.7
175.14857	3.0
183.11728	3.6
185.13194	5.7
187.14771	4.7
195.11617	1.6
197.13246	2.7
199.14838	2.8
201.16414	1.3
203.17960	1.5
211.14912	1.9
213.14685	1.7
213.16461	1.9
225.16284	2.7
227.17963	1.5
230.85161	1.1
239.17897	1.4
241.19583	1.4
243.21092	2.6
245.18990	1.2
255.21188	1.3
259.20685	1.4
261.22162	3.5
271.20609	1.8
273.22147	1.5
285.22076	3.4
299.23816	2.6
315.23123	1.4
317.24667	1.9
369.31714	1.1
377.27051	1.5
379.29877	8.1
391.28650	1.2
397.31003	13.9
405.30212	1.1
415.32053	4.9
422.62048	1.1
433.33087	2.0
435.32260	1.5
453.33633	1.1
471.34650	12.7
489.35727	100.0
490.36182	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	489.3567
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03935	3.5
55.05499	15.4
57.03412	5.0
57.07058	2.1
57.71342	1.4
65.03933	2.5
67.05495	52.0
69.07053	11.4
70.87236	1.7
70.87563	2.8
71.04980	3.0
79.05480	24.0
81.06603	2.6
81.07047	32.4
82.16635	1.5
83.08607	7.0
85.06516	2.5
91.05467	24.5
93.07032	31.0
95.04958	2.3
95.08585	23.4
96.63500	1.8
97.06504	2.6
97.10181	3.4
98.21407	1.6
105.07018	23.3
107.08577	18.5
109.10147	27.9
111.08062	2.9
117.06989	8.0
119.08565	26.0
121.10121	14.7
125.09541	1.9
129.07004	4.0
131.08534	13.6
133.10123	16.7
135.11705	8.5
139.11165	2.7
141.06979	1.5
143.08551	5.3
145.10094	13.8
147.11655	10.9
149.13228	2.4
155.08578	2.4
157.10126	4.8
159.11682	11.4
161.13255	5.3
169.10036	2.3
171.11682	2.9
173.11725	7.0
173.13243	8.6
175.14796	3.0
183.11661	2.6
185.13242	6.7
187.14822	4.6
197.13293	2.0
199.14835	4.4
211.14883	1.8
213.14790	3.2
216.70306	1.4
241.19569	1.8
245.19029	2.0
261.22156	2.3
285.22049	3.2
290.99435	1.5
297.22171	1.8
299.23679	3.1
348.15845	1.6
363.76218	1.6
377.26910	3.5
379.29938	9.8
397.31128	16.9
415.32156	4.6
433.33081	2.7
471.34546	12.0
489.35730	100.0
490.36389	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3567
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02358	0.9
53.03926	2.1
55.01852	1.5
55.05242	1.0
55.05503	19.7
57.03426	5.6
57.07055	2.5
59.04970	1.7
65.03927	2.6
65.23197	0.8
67.05492	61.2
69.03404	1.0
69.07050	12.7
71.04971	3.1
76.91765	0.9
79.05477	28.5
81.07042	39.0
83.04953	2.5
83.08601	7.6
85.06543	2.2
91.05466	24.2
93.07024	33.0
95.04948	4.2
95.08008	1.9
95.08589	27.2
95.32363	1.0
97.06501	2.6
97.10146	3.3
98.20827	4.8
98.21497	1.6
99.08044	1.2
105.07013	24.4
107.04967	0.9
107.08575	19.4
109.06504	1.8
109.10141	31.4
111.08069	2.2
115.05437	1.0
117.06985	10.5
119.08556	26.2
121.10125	16.6
123.08044	2.0
123.11700	2.7
125.09566	1.5
129.07002	5.8
130.07721	1.0
131.08542	18.2
133.10109	20.3
135.11656	9.4
137.09578	2.6
139.11159	3.1
141.06960	2.7
143.08563	5.9
145.10101	18.9
147.11639	14.0
149.09592	1.7
149.13220	5.5
155.08511	3.4
157.10101	6.8
159.11662	14.1
161.13196	8.6
163.80473	0.9
169.10071	3.8
171.11621	7.1
173.11711	7.0
173.13249	8.3
175.11130	1.0
175.14833	2.9
177.12694	1.2
181.10037	1.2
183.11713	4.0
185.13220	5.8
187.14784	4.2
197.13219	2.7
199.14841	3.1
201.16394	2.3
203.87766	1.1
211.14886	1.7
213.14748	3.2
213.16370	2.6
215.17827	1.1
217.15808	1.0
227.17918	1.6
239.17990	1.8
241.19409	1.1
259.20422	1.6
261.22159	3.9
263.20264	1.3
267.20892	1.1
271.20578	1.4
285.22079	2.8
287.23575	1.3
289.21637	1.2
299.23581	2.7
313.25229	1.4
331.22787	1.1
333.24167	0.9
363.25375	1.5
369.31039	1.1
377.27002	3.2
379.29892	10.5
391.28354	1.7
397.30969	16.9
399.32654	1.4
415.32019	3.3
433.33395	2.1
453.33658	1.2
471.34564	13.3
472.34439	1.2
489.35693	100.0
490.35956	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	490.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01851	1.6
57.03423	1.0
67.05484	3.7
68.05004	1.7
68.99770	1.4
69.03409	5.3
70.06574	3.3
71.68719	1.5
79.05473	3.0
80.05001	5.0
81.03403	5.1
81.07038	1.7
82.02921	1.6
84.04486	7.8
84.08127	1.9
85.02895	7.2
86.09663	1.5
91.05455	4.1
93.07036	1.6
94.06569	2.0
95.04922	1.4
96.04482	2.9
97.02877	11.3
98.03193	2.7
99.04422	1.2
105.07018	3.3
106.06523	1.2
107.08575	1.5
108.04450	11.5
108.08084	1.5
109.02858	10.7
109.06486	1.1
109.10141	1.4
110.06030	2.6
114.05496	1.6
117.07015	2.3
118.06534	3.8
119.07310	1.4
119.08550	2.0
120.08073	3.5
122.05997	3.0
127.03902	3.0
128.06218	1.0
129.06998	2.8
131.08568	3.3
132.04442	1.4
133.06468	1.1
133.10098	1.4
134.06009	5.1
135.04378	1.3
136.07570	3.9
137.02286	5.3
137.09598	3.1
138.09953	2.1
139.03871	1.2
141.06956	3.8
142.07736	1.1
143.08574	5.9
145.10097	1.8
146.05963	7.8
147.04327	1.2
147.06816	2.2
147.07991	1.5
148.07544	7.8
153.07014	1.2
154.07750	1.0
155.08504	1.8
157.06540	1.3
157.10083	5.0
159.07991	4.2
159.11725	1.8
161.05974	4.0
161.09637	3.4
163.11192	1.1
164.07039	9.2
165.07047	1.0
165.09050	2.3
166.09531	1.4
167.08537	14.2
168.06522	3.5
169.06496	2.5
169.10045	4.7
170.07249	1.1
171.11848	0.9
172.07494	1.0
173.05939	1.5
174.05486	2.9
174.09171	2.3
175.03931	3.5
176.07059	2.0
177.09029	1.1
179.08495	1.1
181.10161	2.2
182.04492	1.2
183.08052	1.1
183.11772	1.0
185.09575	14.0
187.07571	1.4
187.11140	1.3
192.06520	39.4
193.04988	1.0
193.06924	1.0
194.08102	2.1
195.08005	1.3
195.11650	2.7
196.05849	1.2
197.05945	2.6
201.05420	2.4
203.03523	2.2
203.10664	2.3
205.10130	2.8
207.11719	2.2
211.11095	1.7
213.09045	1.5
220.06046	2.7
223.11171	4.4
225.12741	1.4
225.14699	1.2
229.04921	2.6
231.10178	5.2
241.12216	1.6
242.14911	1.1
243.06468	2.8
249.11276	7.3
250.12282	2.2
251.10585	2.7
252.13737	1.7
253.05005	1.0
269.11789	2.4
271.05942	16.1
278.15439	2.1
286.14328	2.1
287.12708	1.7
288.13733	2.5
289.14413	1.1
292.22791	1.6
296.12805	6.3
299.05429	25.4
306.14819	2.6
310.13931	1.2
310.23804	7.3
314.13818	9.9
315.12201	13.5
316.13257	1.0
317.13791	1.2
317.55652	1.1
324.15857	6.8
326.17935	1.3
328.24652	8.8
332.14890	10.2
334.14365	3.5
352.15356	37.8
360.14368	6.9
362.13788	1.2
370.16437	19.9
372.52899	1.0
380.14838	16.3
398.15909	61.8
399.16235	1.4
416.16949	19.9
426.15445	21.3
444.16464	100.0
445.16931	4.0
462.17435	7.9
472.15964	26.5
473.10849	2.8
490.16971	88.4
490.29355	17.4
491.17319	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	491.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01868	2.6
55.05504	0.6
56.16798	0.5
67.05478	1.3
68.99776	8.0
69.03407	1.5
70.06579	0.5
71.04974	1.3
81.03405	1.5
81.07038	0.6
83.04939	0.8
84.04477	0.5
84.08131	0.5
85.02880	2.5
87.00811	0.6
91.05466	1.0
93.03361	0.5
95.04984	1.1
95.08607	0.8
97.02875	2.5
97.06517	0.6
99.04447	2.8
105.03328	0.7
105.07027	0.7
107.08579	0.6
109.02858	1.1
111.04384	0.9
115.05452	1.7
117.06982	0.7
118.62435	0.5
119.08558	1.1
123.04404	1.7
127.03895	1.3
129.06979	2.4
131.04895	0.8
131.08582	0.8
133.02797	1.6
135.04416	1.6
135.08005	1.2
137.02318	19.5
137.03339	0.8
137.09592	1.1
139.03902	0.6
141.06950	5.7
143.04941	1.1
145.06465	1.6
147.04388	3.6
149.05908	0.5
149.09563	0.8
151.03914	1.0
153.06987	0.6
155.04880	2.6
155.10629	0.6
157.06442	1.6
158.46947	0.4
159.07983	1.0
160.18973	0.4
160.92274	0.5
161.02254	1.1
161.05951	18.8
163.03851	3.3
165.09077	0.7
169.06448	10.3
169.12189	0.6
171.04436	0.8
173.05956	6.3
175.03873	17.7
175.07487	1.7
177.05342	0.6
181.06483	1.1
183.04414	3.0
185.05966	2.6
187.03806	1.0
187.07518	4.2
189.05452	2.7
192.06520	0.7
197.05940	12.9
198.06412	0.7
200.04517	0.6
201.05437	9.7
203.01608	0.8
203.03371	9.5
203.07011	1.7
207.13785	1.1
211.03838	1.6
213.05519	0.5
213.14880	1.2
215.06992	8.5
216.07256	0.5
225.05426	8.4
225.14819	1.3
226.06110	0.5
227.06985	0.6
229.04921	13.1
243.06491	16.2
243.15807	0.8
247.05974	1.1
250.11269	0.4
253.04947	4.0
257.04401	4.7
271.05969	68.2
272.06259	1.9
273.07535	3.8
281.04373	0.6
299.05447	100.0
300.05737	3.3
316.14227	0.9
317.06485	3.9
328.24619	0.5
329.06693	0.6
329.24957	0.8
398.16409	0.6
399.16351	2.5
432.72546	0.5
445.16953	2.5
473.10703	20.1
473.16071	0.8
491.11188	4.3
491.17200	2.0
491.30539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1177
Annotation	Isoscutellarein 8,4'-dimethyl ether 7-glucuronide
Peak:m/z	Relative Intensity
50.94887	0.3
53.03935	0.6
55.01869	2.5
67.05495	0.9
68.99454	0.5
68.99787	6.3
69.03424	1.9
70.04977	2.2
70.06567	0.7
71.04979	0.7
77.74761	0.4
79.05463	0.6
81.03397	1.7
81.07050	0.4
82.06577	0.6
83.01329	0.4
83.04948	0.7
84.04474	1.2
84.08128	0.6
85.02903	2.8
87.00813	0.6
91.05468	1.4
95.04932	1.4
95.08592	0.4
97.02865	1.9
97.06522	0.5
98.03151	0.4
99.04438	2.7
105.03397	0.7
105.07007	0.7
107.04900	0.6
107.08632	0.4
109.02870	1.4
109.10159	0.5
115.05444	1.5
117.06985	1.0
119.08598	1.0
121.10112	0.4
123.04385	1.8
126.22042	0.4
127.03876	1.6
128.15173	0.4
129.06960	1.4
131.04947	0.7
131.08501	0.9
133.02820	0.9
135.04384	1.7
135.08008	0.8
137.02327	17.7
137.03351	0.8
137.09587	0.7
139.03778	0.6
139.05350	0.5
139.85878	0.4
141.06976	6.7
143.04916	1.4
143.08505	0.5
145.06439	1.6
145.10052	0.5
146.05879	0.6
147.04379	3.0
148.07495	0.5
149.09572	0.7
151.04025	0.4
153.06973	0.8
155.04922	2.7
157.06464	2.0
159.02963	0.4
159.04384	0.4
159.08008	1.4
161.02374	0.6
161.05960	16.6
162.06332	0.5
163.03918	2.8
165.09012	0.5
168.08870	0.7
169.06465	8.6
170.06862	0.4
171.04393	0.5
173.05989	6.0
175.03880	13.6
175.07439	1.9
181.06400	0.5
183.04402	1.5
185.05919	1.5
186.09885	0.8
187.03862	0.7
187.07527	3.0
189.05434	1.9
189.12741	0.5
192.06491	0.9
193.06857	0.7
195.13644	0.4
197.04247	0.8
197.05960	10.6
198.06500	0.6
200.04625	0.5
201.05447	9.4
203.03363	7.8
203.06982	1.5
207.13756	1.0
211.03905	1.1
213.14780	1.0
215.07022	7.4
224.11572	0.4
225.05440	6.5
225.14853	0.8
229.04932	13.5
232.10573	0.5
243.06506	14.8
243.15874	0.5
247.06044	1.4
253.04897	3.3
257.04413	3.1
259.05914	0.4
271.05975	63.1
272.06308	2.3
273.07581	2.7
283.05820	0.5
299.05463	100.0
300.05847	3.1
317.06485	3.9
328.25131	0.4
329.06506	1.3
353.15622	1.3
371.16489	1.2
381.15332	0.8
399.16245	4.2
417.17319	1.4
427.15610	0.9
445.16873	7.3
463.17899	0.9
473.10736	20.4
473.16199	1.0
474.10864	1.1
490.29492	0.6
491.11523	4.1
491.17368	5.5
491.30383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1177
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03714	0.2
53.03935	2.8
55.01841	0.7
57.03410	0.7
61.02910	0.9
68.30183	0.2
68.99770	0.6
69.03413	9.0
69.44135	2.1
70.03741	0.2
71.04970	0.6
73.02899	0.9
75.65855	0.2
81.03397	12.4
81.07018	0.2
82.28524	0.2
85.02888	4.9
91.05405	0.2
95.04914	0.3
95.08566	0.2
97.02877	4.7
99.04437	2.1
103.03954	0.2
105.03346	0.4
107.04921	0.3
109.02856	8.1
109.10175	0.3
111.00764	0.8
121.02843	3.5
127.03893	5.5
128.04216	0.2
133.02823	0.4
133.04913	0.2
137.02290	1.0
138.73666	0.2
145.04916	0.9
147.04356	0.6
153.01784	4.5
155.10045	0.2
157.06425	0.7
165.01781	2.0
165.09007	0.2
169.01382	0.3
171.04323	0.3
176.07091	0.2
183.02872	0.9
185.05865	0.3
187.05977	5.8
213.05447	1.4
222.43275	0.2
231.06474	0.6
241.04955	0.9
258.05157	1.2
259.05908	0.5
269.04330	0.2
287.05432	100.0
288.05771	2.5
329.06610	0.4
395.07428	0.2
416.99445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2996
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02360	4.0
53.03932	10.4
53.80392	4.2
55.01863	5.9
55.05502	40.1
57.03413	16.9
65.03936	6.2
67.05501	82.9
69.03410	5.5
69.07056	22.2
69.99387	17.6
69.99803	6.8
71.04975	9.0
71.08624	13.4
79.05481	85.0
81.03400	50.7
81.07048	89.7
83.04967	15.5
83.08591	26.2
84.08148	4.1
85.02887	13.8
85.06520	4.4
91.04926	7.6
91.05466	100.0
93.07028	67.6
95.04955	33.0
95.08590	42.1
97.06511	9.3
97.10160	17.0
98.20788	6.9
98.87124	4.1
99.08077	6.3
100.19730	3.8
105.07023	61.0
107.04961	17.9
107.07981	4.5
107.08594	36.9
109.06542	9.1
109.10126	23.5
111.08089	12.0
117.07013	19.1
119.08559	48.7
121.06482	10.4
121.10121	19.7
123.04359	3.8
123.08068	11.7
123.11696	14.5
125.09623	11.2
129.07014	25.8
131.08505	24.8
133.06430	4.1
133.10097	24.9
135.08084	7.5
135.11671	10.0
137.09503	3.8
138.05560	3.4
143.08534	15.2
145.06488	4.0
145.10106	15.6
147.08078	5.8
147.11659	44.2
149.09605	10.8
151.07582	4.3
151.11147	5.7
155.08592	3.5
155.38683	3.6
157.10094	11.8
159.11630	6.7
161.09564	6.7
161.13234	13.6
163.11148	6.9
165.09097	27.5
171.10359	3.9
171.11601	23.5
175.11121	11.1
179.14296	14.8
187.13115	4.8
189.11182	6.7
189.12738	8.0
193.12227	31.4
205.12201	5.5
207.13828	21.0
211.13147	18.9
231.13770	4.5
243.16045	4.0
249.14780	7.7
267.15881	23.5
277.21603	11.8
281.17450	17.2
333.80850	3.5
347.16513	4.5
351.25275	53.6
399.25229	8.8
455.27429	4.3
473.28687	51.6
491.29987	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28143	6.0
53.03932	10.2
55.05497	48.9
57.03434	13.9
66.38094	6.8
67.05488	56.7
69.03416	7.0
69.07040	19.7
69.34705	5.8
69.35047	80.6
71.04985	6.8
79.05485	70.6
81.03410	43.2
81.07040	92.3
82.34613	5.6
83.04981	15.7
83.08598	22.2
84.08107	11.1
86.73898	6.2
91.05466	100.0
93.07029	60.4
95.04949	39.9
95.05454	6.0
95.08601	31.9
97.02839	10.8
97.10133	22.5
105.07008	51.3
107.04923	20.2
107.08570	24.5
109.06482	14.0
109.10156	16.5
111.08090	6.5
117.06963	35.0
119.08586	32.4
121.06464	6.8
121.10122	15.5
123.11665	21.6
125.09592	14.0
129.06979	25.0
131.08560	13.3
133.06451	9.1
133.10121	22.3
139.03865	7.2
141.06961	9.1
143.08554	17.9
145.06488	8.0
145.10110	19.3
147.11652	19.8
155.08533	9.9
157.10085	10.8
159.11685	9.2
165.09105	8.4
171.11702	15.8
175.11215	9.2
175.14873	8.5
185.13121	9.6
189.11215	8.5
189.12733	11.0
193.12177	11.1
207.13663	12.6
227.12721	11.1
231.13594	7.5
249.14719	18.6
254.67549	7.9
267.15866	26.7
281.17401	22.3
305.17331	7.8
347.21655	7.6
363.23215	10.1
381.24197	10.0
399.25079	20.0
473.28882	82.6
474.29291	7.0
491.29602	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	491.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01854	1.1
55.05268	0.5
55.05501	5.3
57.03413	0.7
65.03924	0.5
66.27503	0.3
66.54945	0.4
67.05495	9.3
69.03400	1.2
69.07043	2.8
71.04988	1.8
71.10049	0.8
79.05482	7.7
81.03400	1.2
81.07043	10.4
83.04959	1.9
83.08605	2.1
85.02893	0.6
85.06526	1.3
91.05455	4.7
93.07030	8.0
95.04940	4.2
95.08585	6.2
97.06522	1.8
97.10153	2.8
100.30970	0.4
103.05423	0.6
103.08693	0.7
104.06317	0.4
104.07040	0.4
105.07015	4.2
107.04935	7.2
107.08566	4.4
109.06507	3.3
109.10130	9.0
111.08067	1.3
115.05444	0.5
117.06992	2.2
119.08571	5.8
121.06477	5.0
121.10130	4.0
122.07274	2.2
123.04367	0.8
123.08060	1.0
123.11687	7.9
125.05845	0.4
125.09631	2.2
129.06975	1.5
131.04916	0.9
131.08539	4.1
133.06473	1.1
133.10114	1.8
135.08032	1.6
135.11658	1.0
137.05940	0.7
137.09587	13.5
139.07545	0.7
139.11134	0.8
143.08554	1.5
145.06490	2.0
145.10098	1.8
147.04388	0.4
147.07996	1.7
147.11632	0.8
149.09587	2.2
149.13217	0.6
155.08487	0.6
155.10625	0.8
157.10083	1.0
159.08029	1.2
159.11674	0.7
161.05856	0.4
161.09566	0.8
163.11172	0.9
165.09088	100.0
166.09341	1.9
167.08554	0.4
167.10660	1.3
169.10091	1.0
171.08029	0.9
171.11607	0.6
173.09691	0.6
173.11749	0.6
173.13213	1.3
175.11156	1.2
177.12578	0.4
183.10149	0.8
183.11636	0.7
185.09567	0.9
185.13191	0.5
187.14732	0.5
189.11160	1.1
189.12675	0.6
191.14261	0.9
195.11740	0.6
197.13271	0.7
199.13275	1.3
201.11142	1.8
201.12775	0.8
203.14333	1.0
205.12238	1.3
211.11139	0.5
215.14333	0.5
219.13753	2.4
225.12642	0.4
227.14333	0.7
233.15359	1.0
249.14760	0.9
257.15359	0.6
273.14850	1.5
275.16400	1.7
293.24628	0.6
294.72360	0.4
297.07642	0.5
339.22781	0.6
339.25510	0.6
349.21576	1.4
367.22598	4.3
385.23743	5.2
399.25772	0.5
403.24728	1.4
417.26410	0.8
441.26221	0.9
459.27383	10.4
460.27618	0.7
462.49011	0.4
473.29001	1.5
491.29962	12.2
492.30304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92810	0.4
53.03934	1.0
55.01854	1.4
55.05504	4.1
57.03423	0.6
57.07060	0.4
59.06104	0.5
65.03916	0.9
66.42830	0.4
67.05494	8.5
69.02187	0.4
69.03402	0.8
69.07063	2.7
69.43994	0.7
69.44402	3.4
71.04975	2.1
79.05477	6.1
79.35945	0.4
81.03391	1.4
81.06607	0.7
81.07045	10.2
83.04961	1.7
83.08606	1.2
85.02865	0.6
85.06517	1.2
91.05453	5.0
93.07028	6.4
95.04951	3.4
95.08587	5.9
97.06519	1.2
97.10187	2.2
98.21086	2.1
101.15041	0.4
103.05407	0.5
103.08668	1.5
105.07011	4.2
107.04935	6.6
107.08572	3.7
109.06497	3.3
109.10140	8.9
110.63992	0.4
117.06994	2.0
119.08548	5.1
121.06487	6.0
121.10120	3.0
122.07265	1.6
123.04412	0.4
123.08019	1.2
123.11689	8.1
125.09612	2.0
129.06952	1.4
131.04898	0.7
131.08543	2.7
132.91858	0.5
133.06444	0.7
133.10103	1.8
135.08052	1.4
135.11667	0.7
137.05920	0.6
137.09595	14.3
139.07515	0.8
139.11145	0.9
143.08519	1.0
145.06465	1.7
145.10106	1.9
147.08031	1.2
147.11708	0.6
149.06010	0.4
149.09587	1.3
149.13237	1.2
153.09058	0.6
155.10678	0.9
157.10049	1.0
159.08034	0.7
159.11681	1.0
161.09544	0.5
163.11188	0.8
165.09084	100.0
166.09441	1.7
167.10594	0.9
170.79437	0.5
171.11700	0.7
173.11739	0.8
173.13264	1.2
175.11046	0.6
183.10088	0.8
189.11179	0.6
193.12329	0.6
195.11685	0.8
199.11240	0.6
199.13231	1.0
201.11179	1.4
205.12231	1.1
211.53630	0.5
213.12680	0.5
215.14171	0.5
219.13776	1.9
236.77043	0.4
273.14853	1.4
275.16403	1.0
349.21591	1.7
367.22696	3.5
385.23755	4.6
403.24622	1.3
417.26709	0.5
441.26382	0.9
459.27393	9.2
460.27539	0.5
473.29248	1.4
491.29922	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	492.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05504	0.8
55.77039	0.3
57.03428	1.1
58.14378	0.3
60.04509	0.4
67.05495	4.9
69.03425	2.0
69.07042	1.4
70.06557	0.7
71.04949	0.5
72.50845	0.4
73.02894	0.6
78.03440	0.6
79.05476	1.4
80.05011	3.6
81.03398	1.5
81.07042	3.2
83.04957	0.7
83.08575	0.3
85.02878	3.3
85.06516	0.6
86.09697	0.4
87.00787	0.6
89.71796	0.4
91.05463	8.0
93.07034	2.5
95.01336	2.8
95.04960	1.3
95.08598	3.5
96.04483	3.3
97.02871	2.1
97.06513	0.6
99.04440	0.7
99.08067	0.5
105.07013	1.4
106.02907	2.7
107.04929	0.4
107.08584	3.1
109.02915	0.5
109.06484	0.8
109.10136	7.9
111.04442	0.5
111.08104	0.4
113.02368	0.7
119.04905	0.7
119.08540	1.7
120.08099	0.6
121.06492	0.5
121.10120	3.2
123.00777	22.6
123.04401	3.1
123.08046	0.9
123.11687	0.6
124.03934	100.0
125.02344	5.7
125.04252	1.1
127.03896	1.2
131.08578	0.5
133.06468	0.5
133.10110	1.4
135.08054	1.4
135.11659	0.7
137.09595	10.8
138.09120	0.4
141.01804	14.5
142.29376	0.4
147.04446	1.9
147.08006	1.1
147.11676	1.3
149.09599	1.2
149.13257	1.4
151.03885	5.4
155.10661	1.3
159.02869	0.5
161.09689	0.4
161.13342	0.5
163.04033	0.5
163.11177	0.5
163.14827	0.7
165.05476	1.5
165.09094	16.3
166.08563	0.5
169.01300	32.9
170.01724	0.5
173.13228	1.2
177.05515	0.6
180.06537	1.1
181.04816	0.4
183.10173	0.9
189.12704	0.8
191.14238	2.3
193.08585	4.7
198.07632	1.2
207.10271	0.3
207.13828	0.6
209.15375	2.4
217.57655	0.3
219.10135	6.2
231.10114	0.4
268.08127	1.9
286.09177	1.7
312.25266	0.7
315.08481	0.5
316.11749	2.7
323.11191	0.9
330.26306	1.1
351.10614	0.8
371.14920	4.0
492.15497	1.2
492.31638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05504	0.8
55.77039	0.3
57.03428	1.1
58.14378	0.3
60.04509	0.4
67.05495	4.9
69.03425	2.0
69.07042	1.4
70.06557	0.7
71.04949	0.5
72.50845	0.4
73.02894	0.6
78.03440	0.6
79.05476	1.4
80.05011	3.6
81.03398	1.5
81.07042	3.2
83.04957	0.7
83.08575	0.3
85.02878	3.3
85.06516	0.6
86.09697	0.4
87.00787	0.6
89.71796	0.4
91.05463	8.0
93.07034	2.5
95.01336	2.8
95.04960	1.3
95.08598	3.5
96.04483	3.3
97.02871	2.1
97.06513	0.6
99.04440	0.7
99.08067	0.5
105.07013	1.4
106.02907	2.7
107.04929	0.4
107.08584	3.1
109.02915	0.5
109.06484	0.8
109.10136	7.9
111.04442	0.5
111.08104	0.4
113.02368	0.7
119.04905	0.7
119.08540	1.7
120.08099	0.6
121.06492	0.5
121.10120	3.2
123.00777	22.6
123.04401	3.1
123.08046	0.9
123.11687	0.6
124.03934	100.0
125.02344	5.7
125.04252	1.1
127.03896	1.2
131.08578	0.5
133.06468	0.5
133.10110	1.4
135.08054	1.4
135.11659	0.7
137.09595	10.8
138.09120	0.4
141.01804	14.5
142.29376	0.4
147.04446	1.9
147.08006	1.1
147.11676	1.3
149.09599	1.2
149.13257	1.4
151.03885	5.4
155.10661	1.3
159.02869	0.5
161.09689	0.4
161.13342	0.5
163.04033	0.5
163.11177	0.5
163.14827	0.7
165.05476	1.5
165.09094	16.3
166.08563	0.5
169.01300	32.9
170.01724	0.5
173.13228	1.2
177.05515	0.6
180.06537	1.1
181.04816	0.4
183.10173	0.9
189.12704	0.8
191.14238	2.3
193.08585	4.7
198.07632	1.2
207.10271	0.3
207.13828	0.6
209.15375	2.4
217.57655	0.3
219.10135	6.2
231.10114	0.4
268.08127	1.9
286.09177	1.7
312.25266	0.7
315.08481	0.5
316.11749	2.7
323.11191	0.9
330.26306	1.1
351.10614	0.8
371.14920	4.0
492.15497	1.2
492.31638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32309	2.1
53.03940	3.8
55.01865	4.6
55.05503	11.5
57.03424	5.0
61.02909	3.6
67.05487	8.6
69.03426	24.4
69.07059	11.6
70.06567	2.8
70.73977	5.5
70.74341	4.2
71.04967	5.6
73.02896	4.3
79.05479	8.8
81.03403	20.5
81.07030	15.9
83.04979	7.3
83.08600	6.5
85.02900	56.9
85.06530	3.4
87.00814	26.6
91.05458	6.4
93.07011	14.1
95.04944	7.5
95.08596	13.0
96.04472	3.7
97.02883	29.6
97.06522	100.0
99.04449	8.0
99.08094	2.9
105.01856	37.1
105.07014	10.3
107.08575	23.6
109.02859	26.0
109.06495	11.1
109.10136	18.4
111.04411	2.1
111.08084	5.0
117.07036	2.9
119.08549	8.6
121.10138	17.7
122.02753	2.8
123.00748	2.3
123.07992	4.4
123.11679	6.4
124.03949	18.1
125.09579	2.3
127.03902	41.4
129.01738	2.2
131.08551	7.8
133.10117	21.7
135.08023	5.3
135.11708	3.2
137.09624	3.4
139.11154	3.7
141.01816	3.5
145.02841	9.2
145.04974	11.6
147.11678	6.4
149.09622	2.7
149.13231	21.2
151.11177	9.7
153.09055	5.6
159.02855	7.0
161.13289	2.4
163.14804	6.6
165.09076	4.5
165.12755	4.4
167.14320	4.6
169.01324	2.7
169.12250	12.2
173.13278	15.7
175.14772	7.2
177.05466	15.3
191.14270	32.9
193.15840	2.7
209.15363	50.1
213.03929	10.9
227.16405	49.8
231.04945	11.6
249.06184	3.1
294.20483	5.2
312.21570	8.9
312.24982	5.4
313.03305	8.3
313.06589	4.8
330.05884	3.6
330.22705	2.4
330.26288	5.7
331.08084	3.1
439.19476	8.0
457.20438	5.8
492.30167	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.01855	3.7
55.05491	7.4
57.03420	2.9
57.07060	2.4
60.04480	1.8
60.73077	2.0
61.02919	3.0
65.03928	1.8
67.05506	9.5
69.03411	21.7
69.07061	8.7
70.06577	5.6
70.26410	4.8
70.26825	3.3
71.04985	4.6
71.13386	1.8
72.08109	4.1
73.02906	2.6
74.88555	1.6
79.05476	9.4
81.03400	10.2
81.07043	15.8
82.06542	4.2
83.04942	6.0
83.08592	3.3
84.08098	3.8
85.02888	29.1
85.06509	1.9
86.09675	2.1
87.00809	8.3
87.04429	2.6
91.05447	8.9
93.07008	14.3
94.06545	4.2
95.04945	7.8
95.08577	14.7
96.08087	2.4
97.02871	25.7
97.06513	100.0
99.04463	8.3
99.08090	2.1
105.01851	12.9
105.07003	17.6
107.04928	1.7
107.08573	26.8
108.08107	2.1
108.86073	2.0
109.02843	9.2
109.06497	17.4
109.10127	12.3
109.71566	1.6
111.07095	1.8
111.08039	6.2
117.06960	1.9
117.61104	1.6
119.08550	20.4
120.08075	2.0
121.06500	3.5
121.10097	21.9
123.11652	5.2
124.03957	5.9
125.09621	2.0
127.03889	22.2
129.06912	1.7
131.08549	12.6
133.10095	21.9
135.08017	4.7
135.11659	5.0
136.07509	2.2
137.05978	1.7
137.09570	3.2
139.11217	2.5
142.08600	1.8
145.02826	3.8
145.04926	13.5
145.10046	5.0
147.11670	17.1
149.09602	5.9
149.13222	23.6
151.11148	10.4
153.09085	4.6
153.64200	1.7
154.08589	7.1
159.02881	3.5
161.13210	17.6
163.14771	6.1
165.12749	3.0
167.10680	4.6
169.12239	20.0
173.13269	12.9
175.13287	1.3
175.14777	37.6
177.05426	7.4
179.14275	5.1
186.06718	4.1
191.14264	24.1
193.15837	11.9
209.12155	1.7
209.15338	34.2
214.06221	1.7
227.16364	43.1
231.05006	5.1
242.05765	1.8
249.06087	3.9
250.21648	4.7
266.24783	1.7
268.22626	8.4
270.05157	28.6
276.23276	3.8
285.03979	2.2
286.23633	3.9
287.05316	2.9
294.24243	8.1
297.03781	2.5
298.04703	11.7
299.05472	4.8
302.04202	3.0
303.01370	1.8
312.25156	13.8
315.04929	11.1
316.05695	10.3
330.26331	41.1
331.08054	93.9
438.28833	2.2
460.11530	1.9
474.30624	3.8
492.31595	59.8
493.13211	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	492.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01859	2.9
55.05502	9.4
57.03431	1.6
57.39342	0.8
59.04987	1.1
61.02911	1.3
65.03922	1.0
67.05482	2.9
69.03419	7.3
69.07049	0.9
71.04970	3.3
73.02871	1.3
79.05493	1.2
81.03419	6.0
81.07033	3.4
83.04955	8.1
83.08611	8.7
85.02891	14.8
85.06535	1.6
87.00793	5.4
87.04450	1.0
91.05450	1.2
93.07018	3.2
95.04950	47.1
95.08596	2.5
97.02871	4.0
97.06503	2.0
97.10137	1.6
98.20747	2.5
99.03870	1.4
99.04444	15.5
105.01854	5.0
105.07024	2.1
107.08566	5.1
109.02867	6.5
109.06499	2.4
109.10130	8.0
111.08057	2.3
115.60770	0.8
116.78308	0.8
119.08556	2.2
121.10132	2.2
123.04409	1.9
123.07997	1.7
123.11671	2.8
124.03948	1.1
125.09594	2.7
127.03897	8.4
129.01851	0.9
131.08511	1.0
133.10101	6.8
135.08012	1.0
145.04939	3.1
147.11665	2.8
149.09596	1.3
151.11166	13.1
153.09076	20.4
154.08629	1.1
159.02892	3.1
167.14278	14.5
173.13275	2.6
175.14812	4.7
191.14302	4.3
193.15845	2.7
209.15338	100.0
210.15616	1.7
220.86560	0.9
227.16389	2.7
231.04919	1.5
244.10329	1.1
277.86533	1.0
330.26306	1.3
427.98291	0.9
492.31467	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	492.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83675	2.2
55.01843	8.7
55.05495	4.6
65.95683	2.2
67.05491	5.4
69.03419	29.7
69.07056	51.8
70.79578	2.7
70.79913	4.8
79.05463	10.1
81.03391	7.0
81.07033	8.5
83.04967	5.2
83.08586	2.4
85.02882	22.9
87.00806	8.6
91.05444	12.0
93.07037	24.2
94.38121	2.4
95.04942	6.9
95.08582	10.6
97.02873	7.0
97.06474	2.8
99.04476	2.5
105.01850	18.3
105.07037	15.3
107.08581	36.8
109.02859	8.2
109.06522	4.3
109.10138	5.7
117.06986	3.5
119.08550	22.3
121.06492	15.9
121.10131	27.8
123.08049	6.4
123.11703	3.6
127.03889	17.0
131.08543	8.1
133.10101	33.0
135.08029	24.4
135.11719	15.8
137.05948	2.9
137.09573	6.5
145.04922	3.6
145.10086	5.3
147.11665	68.9
149.09642	11.5
149.13228	26.1
159.02861	2.6
161.09647	6.2
163.11142	2.8
163.14804	11.4
165.12737	4.6
173.13271	18.3
175.14804	9.8
187.54182	2.3
189.12779	2.9
191.14275	100.0
191.15993	5.4
192.14522	3.1
193.71960	2.4
209.15271	10.7
231.05011	6.5
231.13535	2.6
233.15320	7.2
249.05980	4.5
272.02579	2.3
281.15436	2.5
287.05432	6.2
288.05783	12.5
299.16241	6.2
301.03345	4.4
303.07156	2.7
315.05035	5.5
316.05795	16.9
331.08072	52.3
385.15707	2.4
403.17389	9.0
421.18655	3.0
439.19553	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	492.3158
Annotation	Morusimic acid C
Peak:m/z	Relative Intensity
53.03918	1.2
55.01831	1.8
55.05506	3.6
55.05711	1.0
56.04992	1.2
57.03386	2.3
58.03762	0.7
58.88268	0.7
59.04960	0.8
59.06089	1.7
60.04473	1.0
61.02869	2.5
65.03890	0.8
67.05494	6.1
68.04964	1.8
69.03419	11.4
69.07008	2.1
70.06577	3.8
71.04935	2.4
71.68005	0.8
72.08095	0.7
73.02863	1.9
79.05432	2.0
80.04967	2.7
80.46980	0.6
81.03416	4.5
81.07063	4.4
82.06520	2.1
83.04929	0.9
83.08556	1.5
84.08102	1.9
85.02892	16.0
85.06494	0.8
86.09650	1.2
87.04428	1.7
91.03878	0.8
91.05476	4.0
93.05724	0.8
93.06976	3.1
94.06508	2.4
95.04901	1.6
95.08582	4.2
96.08072	1.9
97.02884	6.5
97.06512	0.7
99.04418	1.8
100.61420	0.6
101.02383	1.0
101.07052	1.6
103.03898	0.7
105.06979	2.1
106.06477	1.1
107.07306	0.9
107.08516	2.8
108.08037	1.9
109.02803	2.5
109.06431	0.8
109.10094	2.1
112.07541	1.2
113.07081	1.5
119.08509	2.5
120.04372	0.9
120.08042	1.9
121.06409	0.9
121.08768	0.8
121.10107	1.5
122.02705	1.2
123.04346	1.2
123.11642	0.7
124.03928	1.0
124.07571	0.7
127.03888	3.8
130.09732	1.4
131.08536	1.3
133.10097	3.2
134.09570	1.5
137.05878	0.9
137.09586	1.5
138.09064	1.3
141.97542	0.6
145.02754	0.9
145.04910	1.0
145.10072	1.1
147.11613	2.3
149.05923	0.9
159.59216	0.7
161.13191	1.3
167.10614	0.7
169.07727	0.7
173.13101	0.9
175.14749	2.9
177.05429	2.4
191.14268	1.1
201.05637	0.8
209.15230	1.4
238.21609	1.2
240.19670	0.8
241.12502	2.8
248.23640	0.7
250.21605	3.9
254.21196	1.1
258.21948	1.1
264.23178	2.6
266.24722	2.2
270.20712	0.9
276.23172	11.5
278.24670	0.8
294.24258	17.9
312.25284	23.6
313.03311	0.8
313.25433	0.7
317.11011	0.9
330.17719	2.4
330.26340	94.9
331.08044	2.8
331.26645	3.7
446.02380	0.7
474.30835	1.2
492.31625	100.0
493.13876	0.9
493.32028	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	493.1334
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
50.10261	0.3
55.05506	0.3
69.03394	0.6
69.95539	0.3
69.95871	1.9
85.02876	0.6
95.04908	0.3
95.08614	0.3
95.52963	0.4
96.08926	0.3
96.92903	0.3
97.02879	0.3
97.06508	0.4
98.21396	0.4
121.02773	0.3
137.02313	0.7
144.38936	0.3
153.01740	0.4
158.07231	0.8
168.05678	0.4
175.14786	0.5
178.02623	0.4
185.05919	0.8
186.06747	4.2
196.04987	0.7
197.05949	0.7
203.03294	1.1
213.05415	1.6
214.06236	3.2
224.04576	1.4
225.05338	0.9
227.03201	0.3
241.04994	0.9
242.05745	4.1
252.04202	1.2
253.05029	1.3
263.85266	0.3
269.04388	0.7
270.05179	33.7
271.05545	0.9
273.03915	0.7
281.04361	0.9
285.03845	1.0
286.04590	1.2
287.05453	4.0
288.06329	0.4
292.41592	0.3
297.03906	5.2
298.04660	13.1
299.05429	3.4
301.03107	0.4
302.04117	2.6
315.01279	0.7
315.04935	11.5
316.05728	11.8
330.26083	0.3
331.08063	100.0
332.08438	2.8
450.34338	0.3
492.31290	0.4
493.13330	45.5
494.13617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1333
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
56.05014	0.2
57.73131	0.2
59.05840	0.3
59.06112	4.5
59.54291	0.2
60.04516	1.1
62.80302	0.2
67.05480	0.4
69.03397	0.3
69.73521	1.0
70.06565	0.4
72.08148	0.2
79.05433	0.3
81.03418	0.3
81.07055	0.2
84.04484	0.2
85.02880	0.8
88.70196	0.2
91.05492	0.2
93.79534	0.2
97.02848	0.4
98.21439	0.2
101.07124	9.0
107.08540	0.2
108.70277	0.2
109.02872	0.4
119.04870	0.2
123.04350	0.3
127.03938	0.2
128.00919	0.2
137.02348	0.7
137.05948	0.2
137.09520	0.3
157.06462	0.2
158.07243	0.7
165.09128	0.2
168.05594	0.6
169.06485	0.3
171.04375	0.2
175.03912	0.2
178.02664	0.2
179.03206	0.2
180.06462	0.2
185.05946	0.6
186.06714	2.3
196.05183	0.8
197.05981	0.5
201.21602	0.2
203.03349	1.0
213.05397	1.4
214.06242	1.5
224.04695	0.8
225.05455	0.5
241.05019	1.0
242.05710	3.4
243.06305	0.2
252.04158	0.6
253.04942	1.0
254.20634	0.2
258.05035	0.3
269.04355	0.6
270.05188	25.4
271.05569	0.5
273.03973	0.8
276.23251	0.3
281.04321	0.7
285.03876	0.8
286.04657	0.7
287.05484	3.2
288.05978	0.2
294.24384	0.4
295.24408	0.2
297.03873	4.2
298.04660	9.7
299.05389	2.9
301.03305	0.2
302.04245	2.0
312.25320	0.6
313.25604	0.5
315.04926	9.0
316.05734	8.0
316.09473	0.3
317.06198	0.3
330.26276	1.8
331.08060	100.0
331.26434	1.1
332.08432	2.2
449.17703	0.2
450.58554	0.2
492.31601	1.7
493.13315	5.5
493.31879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88727	0.2
55.05480	0.2
59.06092	0.2
67.05486	0.5
69.03402	0.3
70.06559	0.6
70.94562	0.2
70.94913	0.7
72.08157	0.2
81.06989	0.3
85.02867	0.4
91.05475	0.2
94.06639	0.2
97.02869	1.3
101.07105	0.7
109.02910	0.2
109.10123	0.4
120.08114	0.3
123.04382	0.2
127.03873	0.4
130.35622	0.2
137.02333	0.9
137.09546	0.4
147.04405	0.4
155.11751	0.8
157.06467	0.2
158.07236	0.9
165.09091	0.4
168.05669	0.5
171.04361	0.3
178.02522	0.3
184.39227	0.2
185.05933	0.6
186.06749	3.1
196.05173	0.7
197.05946	0.4
203.03323	0.8
203.44635	0.2
213.05400	1.7
214.06207	2.5
224.04607	0.7
225.05345	0.4
241.04898	0.6
242.05728	3.6
252.03992	0.4
253.04904	0.9
269.04446	0.4
270.05167	23.9
271.05594	0.8
271.10876	0.3
273.03931	0.7
281.04416	0.6
285.03906	1.0
286.04666	0.8
287.05420	2.6
288.06113	0.3
297.03876	4.4
298.04660	10.2
299.05426	3.3
301.03262	0.4
302.04120	1.9
312.25281	0.4
313.11902	0.4
313.25620	0.3
315.04919	9.4
316.05685	8.2
317.05936	0.4
330.26178	0.5
331.08044	100.0
332.08466	2.3
374.90210	0.2
492.31345	0.6
493.12973	1.2
493.31827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27017	0.5
51.39774	0.5
51.78200	0.4
55.05478	0.7
56.05017	0.6
58.06573	0.6
60.08153	6.8
62.36896	0.5
66.79894	0.4
67.05480	1.0
68.10873	0.4
69.40121	4.0
69.40533	1.0
71.07353	2.7
71.09943	0.4
81.07017	0.9
86.09690	30.6
91.05435	0.6
98.20760	1.2
98.21431	0.8
98.98447	3.2
104.10717	3.8
109.10129	0.5
124.50909	0.4
124.99980	20.9
133.12267	0.6
139.24016	0.4
149.02353	0.6
184.07309	100.0
185.07675	0.5
193.04974	0.7
205.71716	0.4
400.99475	0.5
476.31134	1.3
494.32681	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	494.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.05024	0.6
57.03441	0.2
57.07068	0.2
58.06356	0.1
58.06612	0.4
59.07390	0.2
60.07845	0.3
60.08153	5.6
66.98527	0.1
67.05491	0.4
68.85168	0.1
69.07062	0.5
70.06577	0.3
70.87704	0.5
71.07359	2.7
72.06591	0.1
79.05453	0.2
81.07039	0.5
83.08604	0.4
86.09690	29.9
93.07007	0.4
95.08598	0.4
97.10176	0.2
98.98443	2.8
104.10724	3.1
121.10179	0.2
124.99982	21.1
135.11676	0.2
143.01057	0.3
149.02333	0.3
156.56152	0.1
184.07310	100.0
185.07735	0.7
193.04897	0.3
225.09071	0.1
226.64256	0.1
237.07431	0.4
240.11391	0.4
246.09608	0.2
255.06480	0.6
258.10916	0.2
284.29315	0.2
311.25558	0.4
476.31351	1.2
494.16901	0.2
494.32547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05500	2.4
56.05028	1.5
57.07057	0.9
58.06592	1.4
60.07848	0.8
60.08154	15.2
67.05499	1.6
69.07049	2.5
69.53196	5.7
70.06583	0.7
71.07359	6.9
79.05461	0.9
81.07027	2.9
83.08621	1.2
86.09692	50.6
91.05475	0.8
93.07034	1.1
95.08598	1.2
98.21036	2.4
98.98476	4.2
104.10725	96.3
107.08577	1.0
109.10133	0.6
124.99982	25.8
135.11667	0.7
149.02295	1.1
163.01561	0.9
166.02577	0.6
176.66685	0.6
184.07314	100.0
193.04971	1.5
237.07579	1.1
311.25879	1.9
422.53024	0.6
476.31226	8.0
494.32352	21.9
495.32785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.01827	0.8
55.05508	4.0
56.04983	1.5
57.03427	2.8
57.07044	0.7
60.04518	19.3
60.04805	0.7
60.33252	0.4
61.02916	3.4
67.05488	3.9
68.04972	1.8
68.05305	0.4
68.89945	0.4
69.03423	10.9
69.07053	4.5
70.06551	0.7
70.16937	2.2
71.04926	1.4
72.04506	2.6
73.02856	1.8
79.05440	1.8
80.05006	8.6
81.03404	3.6
81.07050	3.8
82.06523	1.4
83.08568	2.0
84.04448	1.2
84.40352	0.4
85.02896	19.5
86.06029	1.1
87.04408	1.6
90.05482	1.3
91.03907	1.3
91.05421	0.4
93.07034	2.1
94.06561	4.8
95.04934	0.5
95.08605	4.3
97.02885	5.9
97.10109	0.7
98.06023	1.0
99.04385	1.9
101.02319	0.5
103.03863	0.5
105.06979	1.1
107.08537	1.5
107.89484	0.4
108.08072	0.5
109.02882	2.3
109.03441	0.4
109.10101	2.0
110.05991	1.3
111.11620	0.5
115.03889	0.7
116.07050	1.5
118.02256	0.5
119.08504	0.8
121.10096	0.7
123.11677	0.7
124.03920	0.8
127.03904	4.2
132.06490	1.6
133.10016	0.8
137.09528	0.5
145.04877	1.6
147.11664	0.6
152.95781	0.4
153.96182	0.4
175.10939	0.5
182.23335	0.5
210.22171	5.2
228.68672	0.5
230.14525	0.4
236.23698	1.6
240.23187	1.1
248.23730	3.5
250.25262	1.3
252.23166	0.8
260.23648	2.4
266.24954	0.5
278.24756	7.4
296.25821	18.1
314.26849	36.7
315.27307	1.2
332.27908	100.0
333.28314	2.7
338.27014	0.5
356.27966	1.0
374.28967	2.8
420.05002	0.6
435.07089	1.6
458.31064	1.6
476.32184	1.6
491.01944	0.5
494.33206	73.6
495.09445	0.7
495.33679	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	495.1119
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
57.03421	1.2
61.02912	1.6
67.05479	1.3
69.03415	4.6
69.52367	1.7
69.52780	4.6
70.06586	1.8
71.04979	1.0
72.08140	1.3
75.59470	0.7
81.03387	2.6
81.07022	1.6
84.08153	0.7
85.02454	0.9
85.02892	10.5
86.09675	1.5
90.81315	0.6
91.05466	1.1
93.07016	1.5
95.01268	1.0
95.08560	1.7
97.02868	3.2
99.04488	1.0
105.06985	1.0
107.08578	1.0
109.02885	1.6
109.10120	1.7
111.04405	1.1
121.06486	1.3
121.10129	1.1
123.04365	1.2
127.03837	2.5
135.08017	1.0
137.05945	1.3
137.09616	1.2
145.04854	1.3
151.03874	12.1
151.05045	1.0
152.32695	0.7
153.01816	3.6
153.45895	0.7
163.03891	1.2
165.01813	1.4
165.09103	1.0
169.01273	6.3
171.11804	0.7
188.04544	0.8
199.03760	0.7
216.04065	1.2
217.04877	1.5
227.03398	0.8
234.05208	0.8
244.03653	1.9
245.04295	3.3
255.02870	1.3
259.06000	1.3
262.04651	1.3
272.03241	1.7
273.03955	2.3
273.47235	0.8
283.02344	1.7
287.05490	5.8
289.03262	1.4
290.04135	1.6
296.25809	1.6
300.02560	1.4
301.03387	3.4
309.03937	3.8
314.26761	1.1
315.04874	7.6
317.06467	1.5
318.03656	12.0
332.27942	1.5
333.05966	100.0
333.28192	0.8
334.06375	3.4
435.07193	9.3
494.33084	2.0
495.11063	1.2
495.17917	1.7
495.25287	0.9
495.33453	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	495.1125
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03936	1.6
55.01843	1.3
55.05483	1.1
55.95414	0.7
57.03421	1.9
60.04516	1.8
61.02908	1.7
67.05486	2.2
69.03426	9.3
69.07053	1.8
69.80655	5.4
70.06564	2.5
71.04969	1.7
73.02904	1.4
79.05479	1.4
81.03394	2.4
81.07050	3.9
84.04507	0.8
84.08107	1.4
85.02892	15.9
86.03233	0.8
86.09686	2.1
91.05423	1.7
93.07030	2.2
95.04931	0.8
95.08591	3.1
97.02879	6.1
97.06517	1.2
99.04436	1.0
105.07023	0.8
107.08585	1.6
109.02855	3.6
109.10134	1.5
119.40952	0.8
121.02850	0.9
121.10088	1.3
125.09612	11.5
127.03896	3.7
133.10109	0.9
137.02364	0.9
137.05891	1.0
137.09613	0.8
145.04916	1.7
147.04425	0.9
151.07500	1.8
153.01787	5.7
167.03363	0.9
171.87701	0.8
189.09099	1.0
204.06528	2.5
205.04904	0.8
206.05702	0.9
208.03825	1.6
209.15292	0.8
211.15033	1.1
211.16838	5.4
217.04881	1.1
219.02850	7.4
229.12193	2.6
229.17966	1.8
233.04427	3.0
234.05083	1.1
244.03677	2.1
245.04352	2.4
247.02464	0.8
252.05965	0.7
252.23164	1.0
261.03931	1.8
273.04053	1.4
278.24667	1.4
279.25046	0.9
289.03323	3.0
290.04172	3.7
296.25821	3.3
297.26080	2.0
301.03458	3.9
314.26981	4.3
315.27133	1.6
318.03665	36.3
319.03964	1.3
325.11411	0.8
332.27881	11.6
333.05991	100.0
333.28293	5.9
334.06396	3.0
353.11157	1.6
354.11609	2.3
451.18939	1.1
494.33203	15.2
495.18481	4.3
495.33597	12.1
518.51770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1125
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.88068	0.6
55.01846	1.0
57.03423	0.8
58.48663	0.6
59.51494	0.7
60.93411	0.8
61.02911	1.2
67.05470	1.3
68.99776	2.1
69.03400	2.5
70.06579	2.7
81.03401	2.0
81.07048	1.2
84.04500	0.9
85.02898	8.2
86.09689	1.1
93.07030	0.9
95.08577	1.4
97.02868	2.7
97.06455	0.7
109.02856	1.3
111.00798	2.0
119.87005	0.8
120.08105	1.2
123.04427	1.0
127.03909	2.0
137.02286	1.1
139.03857	0.9
145.53430	0.7
151.03873	0.9
153.01804	9.2
165.01810	3.0
167.03368	3.8
169.01317	1.5
179.03354	1.6
183.02908	0.8
193.04900	1.4
199.04057	0.8
199.31424	0.9
207.02866	0.8
213.05496	0.9
217.04915	2.9
219.02846	1.5
219.68318	0.6
229.51669	0.9
244.03564	1.3
245.04437	3.3
259.05865	1.5
261.04037	0.8
272.03189	1.1
273.03833	4.0
277.07159	1.0
287.05536	2.4
289.03412	2.4
290.04144	1.2
301.03421	4.9
304.05817	1.1
314.26733	0.9
315.27151	1.0
318.03656	6.6
327.52426	0.7
332.27966	3.2
333.06000	100.0
333.28217	1.1
334.06433	2.1
438.26578	0.7
494.33054	4.9
495.18622	2.6
495.33426	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	495.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84428	2.5
52.09737	2.2
53.03935	16.0
55.01863	19.6
55.05513	14.0
57.03415	9.5
57.07050	2.8
61.02906	9.8
67.05498	23.4
68.99777	5.9
69.03420	62.1
69.07059	12.2
70.06577	4.3
71.01361	2.6
71.04974	11.0
71.68210	4.2
71.98311	2.6
73.02892	11.0
76.27353	2.4
79.05470	17.6
81.03406	63.6
81.07046	42.1
83.01323	2.5
83.04954	6.8
83.08603	9.3
85.02892	100.0
85.06540	4.3
87.00336	3.1
87.00818	39.1
87.04441	3.0
90.76489	2.5
91.03933	3.9
91.05466	24.3
93.07024	31.4
95.04955	19.6
95.08596	37.3
97.02890	35.7
97.06522	8.5
97.10147	3.5
99.04439	27.1
100.11234	9.4
103.03915	5.4
105.01852	25.1
105.07012	38.9
107.04949	20.2
107.08572	44.6
109.02856	52.7
109.06493	10.6
109.10139	21.7
111.04422	10.2
111.08024	5.6
115.03922	7.7
117.01806	8.6
117.06984	10.1
119.08567	46.3
121.06467	9.8
121.09338	3.4
121.10138	19.2
123.04401	8.9
123.08018	3.9
123.11689	5.6
124.03854	3.0
125.05965	3.9
127.03901	76.2
128.06223	3.1
129.01765	5.1
129.06993	10.3
130.07773	3.3
131.08553	26.7
133.06447	8.6
133.10117	37.3
134.10915	3.8
135.04459	2.9
135.08034	12.1
135.11656	8.8
137.05919	5.9
137.09593	4.2
142.07764	6.0
143.08514	11.9
145.04932	26.1
145.06393	7.0
145.10100	25.1
146.10902	4.7
147.02863	4.9
147.08014	10.2
147.11674	29.7
148.12450	6.9
149.09575	5.4
149.13274	4.9
151.03883	3.5
153.05461	4.1
155.08511	5.1
156.09256	3.1
157.10081	16.1
159.02861	32.0
159.08040	7.5
159.11649	25.4
161.05946	3.6
161.09570	7.0
161.13222	9.7
163.11086	4.2
165.09145	5.9
167.07066	5.1
169.10103	10.6
171.08015	5.8
171.11710	14.8
173.09618	9.3
173.13255	13.4
175.11148	4.8
179.08563	3.3
179.10713	2.8
181.10204	3.2
183.11610	6.3
185.09595	5.5
185.13168	3.4
187.07513	3.1
187.11143	12.8
187.14799	6.6
189.03821	3.7
189.09041	6.8
191.10683	4.1
195.11708	5.6
199.11183	4.3
199.14760	8.4
201.16312	13.3
205.12135	4.2
209.13245	3.8
211.14833	4.8
213.03917	5.1
213.09125	3.2
213.16290	2.6
215.06894	3.6
215.14302	3.5
217.08603	31.1
217.12073	4.5
219.10049	2.7
219.13657	4.8
223.11177	3.8
225.12732	4.8
227.14296	5.3
229.12189	4.2
229.15866	10.6
231.05016	12.1
233.15326	7.8
237.10988	2.9
243.17447	3.9
245.15245	15.4
247.13193	3.2
247.16884	53.5
257.15271	2.7
271.16937	6.8
280.31073	2.2
289.17975	6.5
295.73520	2.5
309.18393	2.9
311.23315	3.8
319.16684	2.9
337.17853	9.5
355.18762	4.9
391.18863	3.3
459.20184	7.1
459.31158	4.7
477.27307	3.2
495.20184	4.7
495.29004	3.3
495.38669	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32686	3.2
50.36573	2.7
53.03930	6.7
55.01870	14.5
55.05497	38.5
57.03425	10.8
57.07053	5.5
57.96260	2.9
65.03934	4.8
67.05137	5.8
67.05492	100.0
69.03407	4.6
69.07059	25.1
71.04979	13.0
71.19497	5.2
71.19830	4.5
79.05477	63.3
81.03409	15.4
81.07042	85.2
83.04958	24.2
83.08609	17.7
85.02883	6.9
85.06516	8.3
87.04436	3.7
91.05464	45.1
93.07030	57.4
95.04955	15.3
95.08588	29.6
97.06508	16.1
97.10163	10.4
99.08131	3.1
105.07018	23.5
107.04958	7.4
107.08567	29.7
109.06440	4.0
109.10126	36.5
111.04425	4.4
111.08087	9.5
113.05975	3.1
117.06975	9.4
119.08566	16.1
121.06491	4.9
121.10133	20.5
123.08049	4.2
123.11716	6.3
125.09624	7.7
129.06970	4.0
131.08563	14.0
133.10106	15.2
135.11655	13.0
137.09612	3.0
145.10117	8.9
147.11678	11.6
149.09608	4.7
149.13239	11.2
151.11052	4.0
159.11736	5.4
163.11136	10.8
165.12820	4.2
171.06485	4.9
173.11630	5.1
177.12659	3.0
181.02618	8.6
183.11716	4.9
189.11197	3.7
191.10660	4.3
193.12247	5.1
194.62088	3.6
195.13789	8.9
209.11674	4.3
211.13161	4.4
226.11967	3.0
227.12741	5.0
255.15770	3.2
267.15921	4.4
269.17444	3.9
283.15366	8.3
295.18695	3.7
423.27985	4.8
439.13116	5.5
477.28152	6.2
495.18695	7.2
495.29254	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.1
53.03936	7.1
53.82075	0.9
55.05500	29.8
57.03160	1.4
57.03426	18.9
57.07059	1.5
58.81662	0.8
59.04975	2.0
62.97337	0.9
65.03915	3.5
67.05493	46.3
69.03419	8.5
69.07049	11.8
69.61269	2.6
69.61688	5.0
70.67432	0.9
71.04984	10.9
79.05479	42.8
81.03401	100.0
81.07042	49.3
82.03727	1.2
83.04508	1.5
83.04965	21.5
83.08603	34.3
85.02890	57.6
85.06551	5.0
91.05460	52.8
92.05779	1.0
93.07027	34.6
95.04948	47.0
95.08590	19.7
97.02852	5.7
97.06507	7.3
97.10143	7.8
98.20821	2.8
99.04433	2.0
99.08028	1.3
103.05457	1.7
105.04453	1.1
105.07009	42.7
107.04926	10.9
107.08569	15.8
109.06507	8.4
109.10137	5.5
111.04436	4.4
111.08064	18.8
113.05972	4.6
115.05423	3.6
116.06261	0.9
117.07011	2.6
119.08560	30.8
121.02821	1.8
121.06484	3.0
121.10119	17.6
123.08042	4.0
123.11698	4.6
125.05899	1.1
125.09616	4.3
127.07549	1.5
129.06981	18.8
131.08542	16.4
133.06470	5.5
133.10104	14.0
135.08014	1.5
135.11662	1.9
136.83765	0.8
137.05984	1.6
137.09598	2.8
141.06944	1.0
142.07718	4.9
143.08502	1.1
145.10094	3.4
147.08017	6.1
147.11659	23.4
149.09596	10.9
149.13235	1.0
151.11171	1.2
157.10100	19.8
159.11639	0.9
163.11166	2.3
165.12698	5.9
175.11143	24.8
189.11211	1.3
193.12206	91.6
194.12634	1.3
211.13257	98.5
212.13547	2.5
212.17319	1.0
267.15854	7.7
285.17001	3.8
359.22034	1.9
367.22931	1.2
385.23645	1.9
459.26984	1.3
477.28275	3.5
495.29437	70.8
496.29681	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14911	0.7
55.01851	1.2
55.05494	2.3
57.11962	0.9
58.06584	3.2
67.05492	0.8
70.06580	2.7
71.04981	0.9
71.39251	1.5
72.08144	10.2
84.08117	4.3
85.07636	0.9
91.05460	2.2
95.04939	0.8
97.02882	0.8
98.06044	8.1
101.07128	1.1
103.08685	1.0
104.07127	1.0
112.11266	1.8
113.07085	4.9
115.08685	0.9
119.04922	2.1
123.04398	1.3
127.08688	4.1
135.04353	1.0
137.05942	6.7
145.34369	0.9
147.04405	2.0
149.05959	2.2
151.03842	1.2
153.10252	0.9
155.11766	22.9
172.14395	12.1
173.05875	3.7
175.03868	1.7
175.07440	0.8
177.06961	2.4
186.03055	5.4
191.08548	0.8
194.07227	1.1
198.12358	4.1
201.05411	11.4
204.05600	1.0
205.06482	10.2
207.08025	1.3
210.06827	0.9
219.08054	1.7
221.06006	2.1
222.06767	5.7
223.07428	0.8
233.05977	10.6
234.06760	3.0
235.07437	1.1
237.09035	8.3
239.06985	1.2
247.07507	2.9
249.05507	2.4
250.06258	8.7
251.07007	2.2
253.08589	1.1
254.09476	0.8
261.05420	1.9
262.06195	0.8
263.06964	3.1
264.07721	5.8
265.05243	1.2
265.08548	19.4
266.09140	1.9
267.06638	2.6
275.07129	1.6
277.05005	1.9
278.05646	5.3
279.06033	1.0
279.10098	1.8
280.07376	1.5
282.08823	1.9
291.06595	1.4
292.07245	15.3
293.04782	1.5
293.08005	18.9
295.06046	1.6
295.09296	0.8
297.11197	3.6
299.12607	0.9
307.06039	1.3
307.09607	26.0
308.06805	5.6
308.10056	1.4
310.08405	2.9
323.09195	3.6
325.10660	30.4
335.03961	2.0
350.10181	1.3
351.08508	5.9
362.54877	0.9
366.13553	0.8
367.13971	1.5
380.14914	1.8
382.16425	15.5
407.15897	0.9
408.14279	5.1
464.19199	1.0
479.21710	41.3
480.21887	1.9
496.24362	100.0
497.24686	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	496.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05020	0.4
57.03421	0.2
57.07066	0.9
58.06308	0.2
58.06623	0.4
59.07407	0.1
60.08151	6.5
67.05483	0.3
69.07063	0.2
70.06561	0.1
70.62681	0.1
71.07356	2.9
71.08618	0.5
74.29724	0.1
74.57781	0.1
79.05492	0.2
81.07034	0.3
83.08612	0.2
85.10150	0.3
86.09689	29.3
87.05795	0.1
87.10019	0.2
95.08590	0.3
97.10120	0.1
98.98435	2.7
102.62023	0.1
104.10722	3.2
108.04178	0.1
124.99977	19.4
143.00948	0.2
163.01530	0.1
184.07306	100.0
185.07680	0.8
258.10962	0.2
313.27249	0.3
478.32846	1.0
496.33997	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	496.339
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05508	0.3
56.05032	1.3
57.03420	0.4
57.06844	0.2
57.07071	3.0
57.58438	0.2
58.06559	1.5
59.07367	0.3
60.08154	15.9
63.43259	0.2
63.43598	0.2
67.05480	0.7
69.07051	0.5
69.71394	0.7
69.71816	0.5
70.06572	0.3
70.54600	0.2
70.58929	0.2
71.07363	6.1
71.08628	2.0
81.07037	0.8
83.08587	0.5
85.10161	0.7
86.09692	49.2
87.10006	0.4
89.06020	0.2
95.08582	1.0
97.02274	0.2
98.98448	4.1
104.10724	100.0
105.11053	0.7
109.10130	0.4
123.11708	0.2
124.99981	26.5
136.96524	0.2
143.01013	0.2
163.01503	0.8
181.02547	0.2
181.58292	0.2
184.07314	98.5
185.07642	0.8
233.28497	0.2
258.11047	1.1
313.27347	2.2
419.25644	0.4
478.25949	0.5
478.32892	8.6
496.33911	28.6
497.34265	0.9
497.41272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.7
54.76211	5.5
55.05483	26.4
55.97785	5.6
57.03429	34.3
61.02908	46.9
64.25001	5.2
67.05492	100.0
69.03415	40.2
69.07056	29.6
69.42746	12.0
69.43073	66.5
71.04971	11.2
73.02899	28.4
74.65121	5.6
77.98203	6.1
79.05484	66.4
80.91156	5.8
81.03376	30.6
81.07040	92.1
83.04964	12.9
83.08598	15.0
83.88749	5.8
85.02869	51.9
90.40337	5.5
91.03930	26.1
91.05467	47.9
93.07035	73.5
95.04945	12.6
95.08596	79.0
97.02873	37.0
97.06502	9.9
97.10138	9.9
103.03887	11.0
105.07008	38.5
107.04917	6.9
107.08572	32.5
109.02841	8.9
109.06488	6.9
109.10135	32.4
117.07009	16.4
119.08571	29.0
121.10104	28.6
123.08042	6.7
123.11673	8.9
127.03906	12.9
129.06985	7.2
131.08565	29.9
133.10098	25.0
135.11687	13.0
137.09619	9.4
142.96327	5.9
143.08557	6.6
145.10115	25.5
147.11673	22.7
149.09651	6.6
149.13232	11.7
157.10156	6.4
159.11696	12.2
161.13225	14.6
169.10036	9.2
171.11670	10.4
173.13202	9.6
182.38161	5.8
193.10147	7.1
195.07872	8.7
210.06711	21.8
225.09041	17.7
234.34128	6.4
241.08522	49.2
242.09341	8.3
253.08589	23.4
255.10054	20.8
261.22104	17.2
335.25790	54.0
351.23096	8.9
369.24109	9.7
385.43027	7.3
465.17056	6.5
479.30093	6.5
486.56592	6.2
497.19107	19.2
497.31259	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	498.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01864	2.9
55.05505	3.7
55.15237	1.1
57.75803	0.9
67.05491	16.2
69.03410	4.0
70.06586	2.1
71.04958	1.6
71.68282	1.3
72.08154	7.1
73.86182	0.9
79.05470	3.1
81.03400	1.5
81.07055	11.4
83.04943	1.2
83.08569	1.2
85.02895	6.3
85.06519	1.0
91.05466	4.6
93.07024	4.2
95.04949	3.1
95.08599	7.2
97.02872	5.8
97.06549	1.2
99.04412	1.2
100.11259	1.3
105.87156	0.9
107.08580	1.4
108.08046	1.4
109.02866	1.3
109.06497	1.5
109.10141	53.8
110.10489	1.1
111.04385	1.0
112.11250	1.9
114.15378	0.9
119.04879	5.2
119.08544	3.4
121.10143	1.3
125.05978	2.5
127.03888	1.6
128.10706	1.5
129.13861	1.3
137.09595	100.0
138.09944	1.8
145.02820	4.3
145.04919	2.0
147.04387	10.9
147.08052	1.4
148.37257	0.9
155.10657	11.9
165.09097	76.3
175.03883	7.1
177.05458	5.4
182.15338	1.4
183.10133	8.5
201.11201	23.5
203.11880	1.2
204.10190	3.9
207.06491	6.7
210.14938	1.0
219.12302	1.9
234.11201	2.0
238.82642	1.0
255.12225	7.1
264.12314	1.6
273.13324	1.2
283.11713	40.0
292.20081	6.0
301.12790	27.9
301.15759	0.8
319.14001	1.5
322.21237	1.4
334.27545	1.1
352.22275	2.6
374.36740	1.0
481.22925	1.4
498.19662	1.6
498.25909	12.5
498.36475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05503	1.9
56.73454	1.0
57.03425	6.4
57.03666	1.2
59.04990	2.0
63.83982	1.0
67.05481	2.8
69.03421	22.5
69.07072	1.6
69.85549	7.3
70.06565	4.7
71.04977	12.8
72.08139	5.9
79.05478	19.1
80.64590	1.1
81.03399	2.5
81.07041	100.0
82.07377	1.9
83.04951	8.3
84.08112	2.4
85.02892	14.7
87.04461	15.8
91.74292	1.3
93.07063	1.5
95.04932	2.2
95.08577	1.5
97.02876	17.1
98.20699	2.0
105.06992	2.0
107.08546	2.2
109.06465	1.9
109.10107	6.4
110.02365	1.6
111.04413	1.4
111.05312	1.0
112.11192	1.9
113.05978	1.2
115.03904	22.4
121.37978	1.0
123.08073	1.6
123.11690	7.9
127.03924	2.3
133.04930	23.3
133.10091	1.7
138.05490	2.0
139.11133	2.1
145.02805	4.3
145.04924	3.2
149.05959	1.2
149.09619	1.7
151.11131	14.6
153.12764	1.6
155.08147	2.0
163.03845	1.3
165.98564	1.4
169.04907	1.3
169.12212	80.4
177.05434	3.5
187.13269	5.4
209.12837	1.9
228.48393	1.4
265.14328	1.6
283.15506	1.9
295.10266	2.0
301.16400	4.4
427.18677	1.2
498.26096	8.6
498.33109	1.2
498.35934	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51556	2.2
55.01860	2.0
55.05512	10.2
58.06561	2.0
67.05484	17.6
69.03417	2.5
70.06583	5.4
71.04985	4.3
72.08138	26.1
79.05470	3.2
81.03395	4.0
81.07041	11.2
83.04959	44.6
84.08118	3.3
84.96786	2.5
85.02867	6.7
89.03873	3.3
91.05457	7.2
93.07034	3.7
95.04929	3.4
95.08595	5.1
97.02894	11.2
101.05998	21.9
109.06554	2.2
109.10133	58.9
109.10877	3.2
110.10466	2.4
112.11224	6.3
117.03375	14.0
118.19505	2.1
119.04916	15.0
119.08547	4.8
121.10086	3.3
123.04440	3.7
127.03885	3.9
137.05968	4.0
137.09589	100.0
137.10652	5.0
145.02827	42.8
145.04944	2.7
146.16475	3.4
147.04378	36.3
149.05937	7.3
153.01700	2.1
154.02118	2.6
155.10623	12.6
155.11751	3.5
163.03897	4.7
165.09081	67.4
165.10445	4.4
175.03856	22.9
177.05435	56.2
178.05893	3.0
183.10138	8.3
201.11185	34.8
204.10240	6.4
207.06473	21.0
219.12105	2.7
234.11169	19.4
255.12128	4.8
264.12268	5.3
275.17569	3.2
281.74423	2.2
283.12131	4.1
283.15280	39.0
292.20111	10.7
301.16312	18.5
305.18542	5.1
313.12689	4.2
322.21198	32.6
328.05112	3.1
352.22052	5.8
481.23059	6.7
498.20145	5.3
498.26001	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64672	0.7
58.06573	1.9
67.05461	0.8
70.04437	4.4
70.06561	1.9
72.08140	18.0
75.09180	0.8
78.04715	0.8
84.08115	3.1
84.26452	0.6
86.09668	1.3
89.03889	8.0
90.88277	0.6
91.05453	7.9
97.02852	1.1
109.10112	0.7
111.04450	0.9
112.11224	6.9
115.94678	0.7
117.03358	25.6
119.04919	16.2
123.04433	0.8
129.13876	5.6
134.03593	0.8
135.04366	2.8
137.05971	1.1
145.02823	73.5
146.16484	4.8
147.04379	31.7
149.05956	7.6
155.11749	2.6
157.07622	1.2
163.03845	6.3
172.14461	0.9
175.03879	17.2
177.05440	100.0
178.05785	1.4
179.06973	0.8
186.05412	1.1
204.10164	11.2
207.06491	20.4
208.06758	0.7
224.95047	0.7
233.12886	1.5
234.11198	33.2
236.13875	0.7
248.12764	6.6
251.13857	1.3
264.12265	3.3
275.17551	0.9
278.13925	1.2
292.20267	4.6
303.04813	1.2
304.05295	1.2
304.20117	2.2
305.18457	5.1
322.21213	28.0
352.22180	4.5
367.14499	0.9
369.33975	0.9
481.23303	13.0
482.22867	0.8
498.25955	95.3
499.26688	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	498.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21320	2.2
53.03936	2.9
54.77375	2.1
55.05503	11.7
57.03424	8.2
67.05492	42.6
69.07053	14.4
69.43850	5.5
69.44257	19.0
71.04982	3.1
74.98007	2.1
79.05482	19.9
81.03407	2.7
81.07047	47.8
83.04968	6.0
83.08599	12.4
90.32188	2.0
91.05464	20.8
93.07032	35.0
95.04918	2.1
95.08607	15.6
97.06498	6.3
98.21413	4.4
105.07004	9.8
107.08566	18.1
109.10143	3.5
117.06973	8.0
119.08553	6.5
121.10126	11.6
123.11678	3.1
129.07043	3.1
131.08595	12.4
133.10085	9.9
135.11667	5.1
143.08549	3.2
145.10139	2.9
149.13254	13.6
159.11659	7.5
173.13350	2.8
177.12843	3.5
183.11681	3.5
195.13763	8.5
246.69501	2.4
269.17410	57.0
371.25732	2.8
389.26581	2.5
445.29248	13.3
463.30487	100.0
464.31003	6.3
498.37137	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	499.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	25.3
69.39959	18.8
84.96027	12.8
86.91401	1.7
97.18165	2.1
98.97567	85.8
101.00851	4.6
110.97536	27.9
112.99113	15.1
116.98602	41.9
119.01918	14.6
124.99068	2.5
127.02369	3.7
128.97650	2.2
128.98599	36.3
131.00153	22.3
131.01843	9.5
134.99672	9.9
135.04460	2.1
137.02986	2.2
140.98589	10.8
142.83420	2.0
143.00154	14.6
143.01852	10.0
145.01671	3.5
145.03488	23.0
146.99646	17.7
149.01213	15.7
152.98540	6.2
155.01884	12.2
156.98091	7.9
157.03436	8.1
158.99638	33.2
161.01205	22.5
161.02869	14.7
163.02673	3.5
163.03761	9.6
167.02020	5.3
169.03476	2.6
170.99641	32.0
171.01170	3.7
173.02914	26.0
174.99130	45.5
175.02715	3.3
177.00690	27.8
179.02162	2.9
182.99608	16.5
183.01085	2.6
185.02905	22.8
187.04581	5.2
189.00729	29.1
189.02444	6.0
191.02274	3.6
191.04037	2.6
193.00186	52.2
193.03828	8.5
195.01782	4.1
197.02930	9.8
197.04869	2.0
201.00696	72.4
203.02286	2.6
203.03979	8.5
207.01680	3.2
211.01176	3.8
211.04704	3.6
213.00684	4.1
215.03951	5.8
217.00145	18.9
217.01947	20.3
219.01724	64.6
224.02332	4.6
227.04039	4.1
229.01935	5.0
231.01784	7.7
235.01010	11.8
235.03000	4.9
237.02785	26.8
242.03374	2.6
243.01720	27.0
245.05060	44.9
247.01022	3.8
247.04974	2.8
257.05035	4.1
261.02789	100.0
263.06000	5.9
271.72125	2.4
273.02667	10.1
275.06097	6.8
277.03986	7.2
279.03842	51.9
289.02048	3.1
291.03839	21.3
293.05371	8.2
301.03973	4.9
302.05396	5.6
307.06799	2.3
309.05023	2.3
314.05392	2.2
319.03455	14.0
321.04910	56.9
333.04837	7.4
337.04114	17.4
351.05994	10.7
365.09177	3.7
370.15479	2.1
381.06903	7.0
399.07953	6.7
481.08484	8.7
499.09775	24.5
499.14551	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	499.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86079	1.4
56.96564	7.3
70.54597	4.6
84.96062	2.1
85.02923	2.6
98.21485	2.4
98.41066	1.5
98.97565	18.2
101.00928	4.6
110.97620	5.1
112.99156	5.4
113.00878	1.8
115.02454	1.7
116.98583	8.1
119.01888	11.8
127.02470	3.8
128.98596	7.5
131.00224	6.8
131.01933	5.8
133.03508	2.2
134.99686	2.3
139.03862	1.7
142.67653	1.6
143.00133	2.4
143.01877	7.7
145.01764	2.1
145.03537	14.3
146.99693	5.2
149.01262	5.9
155.01874	11.3
156.98209	2.9
157.01874	1.3
157.03503	5.2
158.99712	6.8
161.01340	5.3
161.02914	10.3
163.04001	6.2
167.01918	2.0
168.00063	1.5
169.03333	2.0
170.99713	4.4
171.01422	2.2
173.01474	3.0
173.02934	20.0
174.99129	14.9
175.04561	1.8
177.00833	7.1
177.05551	2.8
179.02104	2.3
182.99709	1.9
185.02943	17.5
187.02835	2.7
187.04552	1.7
189.00790	5.5
189.02415	2.6
191.02220	2.9
191.03926	2.3
193.00150	15.5
193.03886	3.3
197.03040	6.9
199.04625	1.9
201.00713	10.1
203.02225	2.1
203.04066	5.4
211.04839	1.9
215.04137	4.8
217.00233	7.7
217.02065	15.9
219.01711	14.9
221.05049	2.8
227.04135	4.5
229.02055	4.4
235.01123	2.9
235.03151	6.1
237.00946	1.6
237.02927	6.8
243.02025	2.0
245.05043	40.7
247.02934	3.0
247.05019	4.1
257.05252	5.5
259.44321	1.5
261.02795	12.8
263.06241	5.9
265.09747	1.7
273.03000	1.8
275.06262	6.9
277.04181	6.7
279.04056	7.2
291.03732	2.8
293.05365	3.3
301.04193	3.5
305.07257	5.3
319.05307	3.6
319.12994	3.7
321.05106	6.8
337.04987	4.9
337.08899	4.8
337.14172	3.2
337.17877	2.1
351.06494	2.3
355.09247	2.5
365.09528	3.8
367.09299	1.6
399.08472	2.4
481.09048	2.4
499.14487	100.0
500.14682	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	499.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42238	1.1
56.96542	1.6
60.04507	2.4
67.05483	3.6
69.03423	3.8
70.16116	1.1
70.92682	1.1
71.41977	2.1
79.05494	1.7
81.03405	2.8
83.04973	2.7
85.02871	8.1
89.03891	1.8
91.05454	1.7
94.06536	8.4
95.04962	1.9
96.08096	1.6
97.02846	1.8
98.97567	1.9
99.04472	1.4
107.07337	2.2
108.08104	4.7
110.06031	3.7
110.09659	1.8
111.04408	1.6
117.03355	1.5
117.11077	1.0
120.08087	2.6
122.06016	6.6
123.04398	2.0
123.06851	1.3
126.05467	2.0
127.69952	1.2
127.73335	1.2
134.05963	1.5
135.04420	3.0
136.07565	6.7
138.05504	5.6
138.09105	18.1
139.03871	9.7
144.08087	2.0
144.99825	1.0
145.05029	1.8
145.08810	1.9
148.07584	1.4
152.07065	2.3
156.06531	16.9
157.08850	1.7
163.03871	11.0
164.07060	20.2
167.07295	1.7
169.08884	2.7
172.11163	1.6
174.09212	1.3
180.06543	2.8
182.08110	7.0
182.09673	4.4
184.07497	1.8
184.11206	3.4
186.09113	2.6
188.10664	4.0
189.00763	1.4
193.07553	1.6
194.08339	3.8
197.10837	1.3
198.11343	1.4
200.10692	2.1
202.08620	4.4
202.12225	2.8
208.09930	2.2
209.10701	15.7
210.09070	13.1
212.10728	2.0
214.08533	7.7
215.09413	4.7
215.82373	1.4
216.10199	4.6
222.07907	2.3
224.09563	1.9
225.10205	2.1
228.10097	3.8
230.11646	6.6
232.09676	7.3
233.10419	1.5
234.11156	7.2
237.10165	21.9
239.11732	2.1
240.10172	5.1
242.08099	4.9
243.07765	3.6
248.12798	2.2
252.08919	1.5
255.11290	3.6
256.09659	3.0
257.09183	5.2
257.12802	3.4
258.11209	11.8
260.09152	16.5
265.09677	48.9
271.10535	2.1
274.10733	4.0
275.10565	2.8
275.13873	3.1
276.12253	25.3
278.10251	4.9
283.10712	78.3
284.08725	6.9
288.11020	2.7
293.14801	4.6
301.08328	2.0
301.11777	52.7
302.10098	16.8
319.12814	66.9
320.11121	18.5
326.11926	1.5
331.21442	1.3
337.13864	100.0
338.14343	1.6
453.08536	1.4
499.18994	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
57.03414	0.7
57.07090	0.5
65.03925	1.1
66.95293	0.5
67.05496	12.5
67.64913	0.4
68.15321	0.4
69.03416	0.8
69.07059	2.6
71.04984	2.0
71.69980	0.4
77.03939	0.4
79.05479	5.7
81.03397	0.6
81.06606	0.7
81.07045	10.2
83.04952	1.0
83.08601	1.3
85.02876	1.0
85.06551	2.5
87.00804	0.9
91.05466	6.1
93.07033	11.6
95.04957	7.1
95.08585	8.0
97.06515	3.2
97.10076	0.5
103.05453	0.5
105.06331	0.7
105.07014	11.8
107.04916	0.9
107.08572	8.3
109.02869	0.4
109.06496	2.4
109.10144	13.0
111.08073	0.7
113.05997	6.0
115.05399	0.8
117.06989	3.8
119.08548	5.6
121.06416	0.4
121.10123	9.2
123.08074	2.1
123.11685	0.8
125.09628	0.9
127.03873	0.6
128.06210	1.2
129.06973	5.8
130.07841	0.8
131.08551	9.6
133.10107	12.4
135.08026	0.5
135.11661	3.0
139.03877	0.9
141.06947	2.1
142.07761	3.6
143.08553	8.2
144.09303	0.8
145.10109	12.5
146.74094	0.4
147.11659	21.2
149.09615	0.8
154.07790	0.4
155.07001	1.2
155.08527	4.4
156.09319	0.7
157.10100	22.3
158.10626	0.6
159.11667	15.3
160.12001	0.7
161.13226	2.0
163.03876	0.7
163.11166	0.7
167.08458	0.6
168.09346	0.9
169.10091	3.0
171.11674	13.6
173.13202	2.6
175.11118	0.4
181.10080	0.9
182.10841	0.7
183.11679	5.5
184.12436	0.5
185.13220	5.1
187.14774	0.6
195.11693	0.8
196.12502	0.7
197.13216	7.5
197.14905	0.5
198.13976	1.7
199.14796	2.4
201.07545	1.4
207.11679	0.4
209.13168	1.9
210.01459	0.5
211.14821	4.8
212.15489	0.7
213.16360	5.0
215.17992	0.5
223.14774	1.7
224.15523	1.7
225.16331	1.4
227.18018	0.5
229.10727	0.9
237.16220	0.4
238.17146	2.0
239.17773	0.6
251.17928	2.0
253.19481	100.0
254.19841	3.5
271.20483	1.1
281.22580	1.0
289.19379	0.5
291.21045	0.6
303.20941	0.5
305.22614	1.3
309.22195	0.7
337.25241	1.1
359.27261	1.7
377.28329	28.6
378.28625	1.6
395.29468	2.6
449.15567	0.4
463.28384	0.6
481.29398	10.8
482.29510	0.5
499.30573	4.6
508.94748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
53.73996	0.6
55.01864	0.8
65.03929	4.0
67.05478	0.5
69.03437	1.3
70.06556	1.0
70.98168	1.2
70.98539	1.3
77.43913	0.5
81.03411	3.8
85.02890	3.3
93.03386	4.4
97.02863	1.3
109.02866	2.6
111.03651	0.9
111.04427	21.4
127.03878	4.0
137.02325	100.0
137.03423	5.6
138.02686	0.8
139.03880	55.2
145.04944	1.4
155.03368	54.3
155.70235	0.6
167.03377	50.7
185.04427	1.7
239.66763	0.5
241.13802	0.6
269.28415	0.7
281.06619	1.6
299.07568	2.1
422.46515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74796	1.0
55.98179	0.9
66.86205	0.9
69.03426	2.4
69.72576	2.7
69.72991	4.8
79.05484	1.7
81.07026	1.9
85.02885	5.4
88.72820	0.9
91.05466	3.7
94.04171	3.1
95.04964	1.3
97.02888	1.2
103.05438	2.3
105.07011	6.3
107.04929	1.7
109.06457	1.7
115.05456	3.9
117.16946	0.9
119.08554	3.2
122.03633	6.8
127.03922	2.0
127.11159	1.0
128.06181	2.1
129.06964	1.5
131.04909	1.3
132.05731	1.7
133.06448	4.1
137.05951	100.0
141.64348	0.9
144.05727	1.4
144.11844	0.9
145.35539	1.0
146.03633	1.2
147.04408	1.5
147.08018	3.9
149.05975	2.3
154.16273	0.9
155.04872	1.1
159.08049	2.5
160.05122	1.7
161.05943	17.1
171.61540	1.0
175.07513	29.5
184.05263	1.6
187.07539	9.4
190.07745	2.7
191.08533	5.9
199.07535	9.8
202.07719	2.8
203.08499	6.6
218.07225	1.5
219.08012	13.0
220.08688	2.4
231.07956	6.8
232.08823	1.2
236.08170	1.3
247.07529	4.2
248.08318	4.2
251.10634	12.5
259.07587	3.0
260.08337	2.3
261.09006	1.4
263.10678	3.5
264.07739	1.6
276.07791	2.2
277.08585	2.2
279.10095	10.0
280.10889	1.7
291.10028	9.8
292.10956	2.3
311.12723	23.4
323.12701	14.5
341.15167	1.2
503.21240	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	503.1886
Annotation	Tryptoquivaline I
Peak:m/z	Relative Intensity
55.01851	5.5
55.05500	3.4
59.32071	2.0
65.98972	2.6
66.95922	2.1
67.05238	2.0
67.05493	21.4
69.03406	6.0
70.06578	7.6
71.04977	4.4
71.70300	3.7
79.05482	7.0
81.03397	3.8
81.07043	15.8
82.06557	2.6
84.08131	3.4
85.02881	8.7
85.06538	2.5
86.09679	5.0
89.03886	3.8
91.03893	2.6
91.05837	2.8
91.97211	2.2
93.07008	5.9
95.04928	7.3
95.08592	8.1
105.07022	6.0
107.08564	5.1
109.06458	2.7
109.10125	27.0
111.00768	4.6
117.56845	2.4
119.08569	3.1
120.08091	4.5
121.10159	7.2
123.08028	3.2
123.11615	3.2
124.03922	7.1
127.03903	2.8
131.08557	2.9
132.76584	2.5
133.10138	3.5
137.05986	7.2
137.09590	37.4
147.04414	3.3
151.03906	6.1
163.03873	13.0
165.09091	26.8
167.05562	3.9
171.02812	3.2
175.07446	2.3
201.16270	2.6
219.10033	5.8
255.06419	6.9
269.08112	8.5
279.12198	3.3
298.20215	6.0
299.06180	5.2
341.24222	12.7
358.98447	6.3
361.02115	5.2
376.99460	3.1
436.99664	3.5
485.19473	2.9
503.02747	4.3
503.19849	100.0
503.29132	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	503.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61296	0.6
64.29123	0.6
66.01183	0.7
69.03342	1.4
69.06986	0.9
69.36149	7.5
69.36537	1.8
69.78869	0.6
70.06517	1.1
72.13963	0.6
79.05420	0.7
81.03331	0.7
81.06965	1.3
83.04853	0.6
85.02818	1.7
86.09595	5.7
87.09981	0.7
91.05365	2.0
93.06960	1.1
95.04884	0.7
97.02824	0.9
105.06931	1.6
107.04849	1.0
107.08538	0.9
109.10065	1.2
121.09997	0.8
123.04305	1.1
133.10051	1.5
137.05933	4.5
137.09518	0.8
145.06430	0.8
147.04216	0.9
157.56316	0.7
167.05426	1.5
175.07489	1.0
201.05368	1.4
215.11736	3.0
216.12131	3.8
223.09271	2.2
237.08859	0.7
238.19464	0.7
259.11136	0.8
271.05875	1.0
287.26041	0.9
299.05783	1.2
311.12799	0.9
320.91559	0.7
328.20129	0.9
329.20117	0.9
341.15652	100.0
342.15918	2.7
365.78714	0.9
390.18610	1.6
439.20773	0.8
503.21030	69.0
504.21326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01866	7.3
55.05500	17.0
55.90725	1.2
57.03427	2.8
57.07074	1.1
57.65895	1.1
59.04991	3.4
65.03939	3.0
67.05494	100.0
69.03424	1.6
69.07059	21.6
70.29076	2.4
70.29459	2.1
71.04971	3.3
77.03903	1.2
79.05476	25.9
81.03401	4.7
81.07042	44.5
83.04953	4.6
83.08593	10.7
83.14342	0.9
85.06532	3.1
91.05452	37.8
93.07030	25.0
95.01329	7.2
95.04952	5.9
95.08591	24.4
97.06516	13.1
97.10154	3.8
105.07011	44.8
107.04945	11.6
107.08582	13.7
109.06499	4.2
109.10135	48.7
111.08051	3.4
117.06996	9.3
119.08559	26.7
121.06479	1.9
121.10100	6.1
123.04420	1.1
123.08073	3.7
123.11672	1.5
125.09616	1.8
129.06976	2.4
131.08539	16.4
131.09454	1.3
133.10106	28.3
135.08015	2.7
135.11655	5.2
137.09654	2.7
141.06970	2.2
143.08572	2.8
145.06435	2.0
145.10092	13.7
147.11661	10.2
149.09616	3.7
149.13277	3.5
151.07646	1.4
151.11243	1.2
155.08517	1.5
155.10555	1.3
157.10110	3.2
159.11711	7.1
161.13264	4.5
163.11188	2.8
165.09102	1.8
167.05579	1.6
169.10094	2.4
171.11679	2.8
173.11751	10.0
173.13257	3.3
175.14822	1.4
177.12778	3.2
179.14293	11.4
183.11674	1.7
187.11124	2.3
187.14767	1.2
197.13293	1.3
205.12126	1.1
211.13271	3.4
219.17525	1.2
229.14452	1.9
229.19496	2.0
239.17987	2.0
241.14188	0.9
247.20525	1.8
257.18964	6.7
275.20020	53.9
276.20239	1.5
293.21136	3.2
299.06137	2.5
331.22791	1.2
349.23923	1.9
393.73306	1.1
450.95917	1.0
503.33701	39.1
504.34036	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03934	3.4
54.40463	0.7
55.01846	1.2
55.05499	22.7
55.10346	0.8
56.72844	0.7
57.03420	3.6
57.07064	5.0
57.41067	0.8
59.04995	0.8
65.03930	2.4
67.05494	67.1
68.05796	0.8
69.03414	0.8
69.07056	17.0
70.94542	2.4
71.04976	7.8
71.08617	2.4
79.05106	0.5
79.05478	36.1
81.03407	12.5
81.07041	100.0
82.07380	0.9
83.04979	2.3
83.08608	13.3
85.06523	10.8
91.05458	23.2
93.07027	33.4
95.04941	7.7
95.08591	23.1
97.06516	2.6
97.10142	6.2
99.08089	1.1
105.07011	17.6
105.07710	1.0
107.04887	1.0
107.08569	17.9
109.01276	0.7
109.06512	1.9
109.10127	10.8
111.08056	1.6
111.11707	2.2
117.06996	4.8
119.08564	11.2
121.10123	15.5
123.11692	14.0
125.09636	1.2
129.07005	3.3
131.08533	10.4
133.10101	15.5
135.11646	8.1
143.08629	1.8
145.10097	5.5
147.11682	5.0
149.13255	3.3
151.11139	4.6
153.12761	1.9
157.10146	3.0
159.11700	3.6
161.13264	3.4
163.14973	1.1
169.12253	1.8
171.11722	1.3
173.13260	3.4
175.11203	1.9
175.14793	1.7
185.13301	2.4
187.13312	8.0
187.14803	1.9
193.12262	4.6
199.06731	0.8
199.14915	1.0
215.18137	0.9
243.15932	0.9
243.21167	0.9
261.22079	4.1
341.24878	1.1
393.31439	1.9
411.32471	3.7
429.33719	1.4
434.55087	0.9
485.36508	3.2
503.37399	80.1
504.37683	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01863	1.7
55.05503	31.1
57.03425	3.5
57.07069	7.1
59.05001	1.4
60.15135	0.9
65.03912	2.7
67.05494	62.4
68.19336	1.0
69.07056	25.7
71.04975	8.8
71.08611	3.8
71.43959	1.8
79.05479	37.5
81.03399	31.6
81.07041	94.8
83.04980	2.7
83.08604	26.4
85.06537	9.9
91.05448	30.9
93.07029	33.2
95.04940	12.3
95.08591	28.3
97.06526	2.6
97.10151	11.1
105.07008	21.4
107.04929	2.4
107.08572	18.1
109.06518	4.1
109.10134	15.0
111.08067	4.6
111.11723	3.8
115.05485	1.3
117.07030	6.4
119.08559	18.9
121.10120	17.5
123.08080	1.7
123.11677	11.9
129.06944	6.6
131.08542	12.6
133.10094	18.4
135.08093	1.2
135.11670	9.6
137.09592	1.5
142.07773	1.5
143.08582	2.5
145.10098	8.4
147.08054	1.5
147.11665	9.0
149.09596	2.0
149.13272	3.0
151.11122	5.3
157.10043	5.7
157.70486	1.0
159.11655	5.7
161.13286	3.1
167.05739	1.2
169.12157	1.7
171.11646	2.4
173.13255	4.6
175.11200	4.7
175.14952	1.1
183.11713	1.9
185.13217	1.9
187.13300	7.8
187.14742	2.1
193.12225	11.6
225.16289	1.3
227.16562	1.6
243.21150	1.2
249.14857	2.7
257.18896	1.2
261.22177	3.2
275.20007	1.2
297.21802	1.3
299.06137	1.8
299.23682	1.2
341.28632	1.1
386.02893	1.3
393.31488	2.5
411.32312	5.1
429.33640	3.1
485.36026	4.5
503.37311	100.0
504.37711	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24749	1.7
53.03932	5.0
55.05505	40.6
57.07072	15.8
59.52092	1.9
67.05486	15.6
69.03427	2.0
69.07055	46.0
70.05229	10.1
71.08615	13.4
79.05479	18.1
79.64716	1.9
81.03405	98.6
81.07037	16.6
83.04974	2.5
83.08606	56.8
85.10163	5.2
86.13388	1.6
91.05457	22.0
93.07038	7.3
95.04953	28.4
95.08594	6.1
97.10157	38.9
98.20692	2.3
105.07021	13.2
107.04950	7.2
107.08585	5.9
107.20219	2.0
109.06462	1.8
109.10149	3.1
111.08043	10.4
111.11697	13.4
119.08540	14.3
121.06483	2.0
121.10146	6.2
123.08046	2.0
125.13247	4.6
129.07001	11.1
131.08536	8.7
133.06520	2.2
133.10149	5.4
142.07733	2.9
147.08167	2.4
147.11708	6.3
149.09613	5.0
157.10083	10.1
175.11157	11.0
193.12193	40.4
204.74284	1.9
231.13708	2.5
237.22163	2.0
249.14827	9.8
302.39871	1.8
503.37381	100.0
504.37531	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	503.372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01850	1.1
55.05501	21.9
57.03424	3.1
57.07063	5.3
59.05002	1.5
65.03928	3.7
67.05489	71.0
69.03421	1.7
69.07050	14.8
69.43124	7.1
69.43549	1.5
71.04972	7.3
71.08607	1.6
71.81547	0.8
73.06538	0.9
79.05476	35.5
81.03410	12.8
81.07040	100.0
82.07414	0.9
83.04961	2.3
83.08604	12.9
85.06522	10.0
91.05460	28.7
93.07026	33.0
95.04948	8.9
95.05428	0.8
95.08585	21.6
96.48272	0.8
97.06523	3.4
97.10143	7.0
99.08076	0.8
105.07014	18.2
105.33826	0.8
107.04961	1.5
107.08570	19.3
107.09238	1.3
109.06516	1.5
109.10126	11.8
111.08109	2.4
111.11702	2.1
115.05432	0.9
117.06993	6.1
119.08548	14.8
121.10113	14.0
123.11684	11.7
125.09618	1.6
129.06995	2.3
131.08556	9.5
133.06453	1.1
133.10101	17.3
135.11642	9.0
143.08566	2.1
145.10085	6.7
147.11658	7.0
149.09625	0.9
149.13232	4.2
151.11145	4.8
153.12672	1.6
157.10141	3.3
159.11623	6.4
161.13263	4.0
163.14874	1.2
165.12831	0.8
167.05574	1.0
169.10103	0.9
169.12225	2.3
171.11668	1.3
173.13217	3.8
175.11182	1.9
175.14801	1.3
183.11736	0.9
185.13193	1.4
187.13304	9.2
187.14828	2.2
193.12163	4.6
197.13167	0.9
201.16228	1.1
212.36568	0.9
226.50699	0.9
227.16475	1.2
243.21127	1.2
261.22217	2.7
275.19965	1.2
317.24783	1.4
321.73944	0.9
393.31543	2.4
411.32739	4.3
429.33765	1.4
485.36362	2.5
503.37329	85.7
504.37573	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.6
55.05503	5.9
56.96541	2.6
57.03416	2.2
67.05496	5.8
67.26528	0.8
69.03420	6.4
69.07041	3.0
70.06569	1.4
70.24211	1.8
70.24626	2.9
71.04976	1.8
71.08623	5.5
72.08134	1.4
75.04456	2.5
79.05458	2.4
81.03389	2.5
81.07048	8.7
83.04968	6.4
83.08560	1.4
84.08107	1.0
85.02887	8.2
85.06522	0.9
86.06052	13.5
86.09687	1.0
86.74500	0.9
87.04462	0.9
91.05448	3.5
93.07040	4.6
95.04943	1.5
95.08607	6.0
96.08096	3.9
97.02855	4.2
97.06503	1.0
98.06010	1.0
98.09676	8.0
98.97558	3.9
99.04428	0.9
99.08077	7.7
100.11212	1.1
101.05989	5.0
105.07007	7.0
106.38943	0.9
107.04939	0.9
107.08561	4.0
109.02848	2.7
109.06498	1.1
109.10149	5.8
110.97556	0.9
111.04424	5.0
116.01649	1.2
116.09945	1.6
116.10718	19.5
116.98602	2.1
117.06973	1.2
119.08540	6.3
121.06487	1.5
121.10094	3.7
121.10888	0.8
123.11655	1.6
124.07563	1.6
127.03899	4.8
128.98584	1.5
129.05444	2.3
131.08522	1.0
133.10072	4.7
134.09561	1.4
135.08086	1.1
135.11647	1.7
137.09583	1.3
142.08638	7.9
142.12236	1.1
143.00130	2.5
143.10623	3.3
145.04979	1.2
145.10065	2.0
146.99626	1.2
147.11644	5.1
155.06979	1.7
157.10074	3.6
158.99585	1.1
159.11664	2.1
161.01163	2.6
161.13240	1.5
162.02167	1.5
164.10657	4.4
177.00655	1.4
182.15387	4.6
184.13329	1.7
190.12285	4.1
198.14795	2.4
203.02307	1.9
203.17871	3.4
208.13252	5.4
210.65504	0.9
214.17999	3.4
226.14337	28.0
226.16446	1.8
232.54837	0.9
237.02798	1.2
244.15404	100.0
245.15599	1.6
253.19499	3.9
254.23750	1.0
259.11081	2.2
261.13333	1.8
271.20636	2.2
272.11462	1.0
279.12527	1.0
324.21512	1.2
342.22760	7.9
345.14462	1.3
352.15363	1.1
406.20636	5.9
425.16452	2.3
504.28223	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	504.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
53.23499	0.7
55.01848	0.7
55.05497	5.1
56.05035	0.6
57.03419	1.9
59.04972	1.1
61.02902	1.6
67.05492	1.0
67.17435	0.6
69.03412	7.0
69.07049	1.1
69.99755	1.0
70.00151	3.7
70.06562	1.4
71.04987	1.0
71.08614	8.1
72.08128	1.8
73.02895	0.7
79.05454	1.5
81.03397	2.6
81.07024	2.6
83.04958	5.0
84.08118	1.5
85.02892	7.8
86.06054	16.3
87.04441	1.1
91.03946	0.7
91.05459	1.1
93.07018	1.6
95.04930	0.9
95.08575	2.4
96.08119	5.6
97.02884	4.5
98.09668	9.2
99.04453	0.8
99.08074	11.1
101.05991	5.3
103.49678	0.6
105.07014	1.5
107.08570	1.7
108.08068	1.7
109.02843	2.2
109.10130	1.2
110.09662	0.9
111.04434	7.1
112.07519	0.6
114.09161	0.7
114.80434	0.6
116.10710	24.2
119.08547	2.7
121.08820	0.6
121.10093	1.0
122.09611	1.2
123.08030	0.6
124.07551	1.4
126.09125	0.7
127.03897	4.7
129.05450	3.0
131.08450	0.7
134.09589	1.0
135.11703	0.7
137.09589	1.0
139.03865	1.1
140.10776	0.7
142.08618	10.0
142.12234	0.9
143.10617	2.8
145.04918	1.9
146.09532	0.7
147.06483	1.4
151.07498	1.0
154.15924	1.5
155.06969	1.2
164.10699	4.3
166.15887	1.6
168.17479	0.6
173.08043	2.0
173.87856	0.7
180.13838	1.0
182.15320	3.8
184.13251	0.6
190.12213	2.5
196.16962	3.1
198.14793	1.6
203.17889	1.1
208.13321	5.7
214.17984	56.7
215.18369	1.1
226.14339	27.1
227.14687	0.9
244.15408	100.0
245.15627	2.2
256.07147	0.9
257.08041	1.3
261.13251	2.1
286.62228	0.7
324.21570	1.6
342.22659	10.9
376.23233	8.1
379.11569	1.7
388.19617	2.2
406.20697	13.5
434.21533	0.7
504.17435	2.0
504.27734	6.8
504.35748	1.8
505.14545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01857	1.1
55.05500	4.8
56.96558	1.8
57.03407	1.2
59.59023	0.8
61.02902	1.2
67.05474	2.0
69.03424	6.0
69.07044	1.5
71.04975	1.5
71.08621	8.4
72.08141	1.2
73.02928	0.9
79.05483	1.9
81.03393	3.0
81.07034	3.7
83.04964	5.3
85.02888	6.4
86.05535	1.0
86.06057	14.7
86.81174	0.7
87.04422	1.2
91.05454	1.6
93.07037	1.9
95.04939	1.2
95.08575	3.0
96.08105	4.8
97.02865	2.8
97.06509	1.7
98.09670	7.7
98.97549	2.1
99.08077	9.0
101.05996	3.6
105.07008	1.9
107.08581	1.0
108.08076	1.2
109.02844	1.2
109.06494	1.0
109.10121	3.0
111.04434	7.8
116.10712	25.2
116.98608	2.1
119.08553	4.1
121.10098	1.5
122.09610	1.1
127.03886	5.0
129.05455	2.3
133.10104	1.2
134.09590	0.8
134.99625	0.9
136.11171	1.1
139.03886	2.5
139.53479	0.8
142.08627	9.6
142.12230	2.1
143.10641	3.6
145.04939	1.1
145.10147	1.2
155.06969	3.0
155.08514	0.8
157.10083	1.8
159.11766	1.2
161.01207	1.1
162.29860	0.8
164.10667	5.3
173.08064	2.0
182.15387	4.5
184.13324	1.4
190.12233	3.3
198.14841	2.2
203.02167	1.3
208.13347	7.1
214.17935	7.2
226.14349	29.4
227.06990	1.2
244.15416	100.0
245.15773	2.4
253.19528	2.3
255.06528	1.6
261.13202	2.6
271.05994	1.6
271.20618	1.4
279.29990	0.8
283.05994	3.0
283.09119	0.9
299.05505	1.0
311.05273	1.2
324.21744	2.6
327.15445	1.0
336.15805	2.5
339.11984	1.8
342.22729	18.1
345.16220	1.6
356.66751	1.0
379.11716	5.6
388.19672	2.5
406.20679	14.3
504.28479	3.7
505.14807	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	504.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	19.6
55.05492	27.5
56.96546	34.4
59.04974	17.2
67.05490	60.2
69.03419	65.9
69.07040	28.0
71.04955	19.9
71.69138	20.9
71.69531	23.4
72.08141	20.0
79.05487	37.5
81.03390	30.5
81.07033	100.0
83.04969	36.9
83.08580	15.6
84.74706	16.6
85.02872	91.2
87.00807	23.5
91.05442	28.8
93.07019	87.2
95.04934	22.2
95.08582	72.6
97.02883	26.4
97.06505	32.1
98.97588	16.5
105.07001	68.2
107.08569	69.4
109.02929	17.5
109.10138	85.2
111.04422	32.3
116.98589	28.5
117.06973	20.2
119.08557	66.7
121.10126	44.0
123.04431	20.2
123.11728	33.0
127.03902	38.1
131.08521	18.7
133.10121	32.0
135.11671	37.7
137.09509	16.9
143.08502	17.5
145.10059	21.1
147.11665	49.9
157.10110	42.1
159.11713	17.7
175.14844	17.4
203.02275	23.7
203.17816	82.9
221.19044	17.2
237.02625	18.8
253.19536	41.7
271.20496	15.5
299.05801	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	505.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00126	0.6
50.55439	0.8
53.03939	8.3
55.01868	11.6
55.05500	1.4
57.03428	8.6
61.02922	7.1
67.05481	1.1
68.99781	8.2
69.03417	46.1
71.01363	0.7
71.04981	6.1
71.15273	1.9
73.02907	7.8
79.05478	2.2
81.03406	43.0
81.07060	1.6
83.01315	1.0
83.04967	0.9
85.02892	100.0
85.06499	0.7
86.03239	1.0
87.00816	35.2
87.04436	1.1
91.03950	2.4
91.05460	11.6
93.07024	0.9
95.04952	2.0
95.08578	2.0
97.02876	30.6
97.06474	0.8
99.04441	17.6
101.02375	1.9
103.03928	2.7
103.05470	2.2
105.01849	23.1
105.07016	12.8
107.04943	5.3
109.02861	42.6
109.06502	1.1
111.04402	3.5
115.03924	1.6
115.05444	2.0
115.17362	0.6
117.01833	4.4
117.06964	1.5
119.04927	9.7
119.08589	0.8
121.02866	0.8
121.06473	5.2
124.05254	0.8
127.03896	73.3
129.01813	6.4
129.06998	2.1
131.04904	2.0
131.08488	0.9
133.06468	22.1
135.04411	1.0
135.08028	2.5
137.05981	6.2
138.06725	1.1
139.03854	1.9
139.07544	2.0
141.06929	1.3
145.04938	20.3
145.06429	2.3
147.02879	6.0
149.05969	3.5
151.07509	3.4
157.06499	2.2
159.02863	26.2
159.08061	0.7
161.05946	1.6
163.07539	1.2
164.08307	1.9
165.06995	2.7
166.07787	1.5
167.08624	0.9
171.02939	1.1
173.06087	1.0
175.07539	1.1
177.03952	1.0
179.08554	1.3
181.06451	2.1
182.07182	1.7
183.08049	1.5
188.08292	0.9
189.03941	2.5
193.06599	1.0
194.07256	1.1
195.08174	0.9
197.06004	0.9
197.09627	3.2
199.07576	1.7
201.05461	0.9
207.08102	1.2
209.09625	0.8
210.06700	4.1
211.07503	3.0
213.03938	2.6
213.09135	0.8
223.07521	1.4
224.08325	1.3
225.09065	4.5
226.09857	3.1
227.07086	2.4
229.12148	0.9
231.04993	11.0
239.06956	1.0
239.10689	2.1
240.11333	1.3
241.08557	1.1
242.09352	4.7
250.09805	0.8
255.10110	1.1
257.11691	84.4
258.12097	2.1
266.09381	1.3
267.10074	1.5
269.11713	4.2
271.05927	1.2
281.11688	9.0
283.05991	2.9
283.09686	1.7
293.11798	1.6
295.06238	1.0
295.13254	1.1
299.12704	9.0
305.11731	1.2
307.26324	0.9
309.07571	0.9
311.05276	1.6
323.12802	4.5
337.10599	1.0
339.12274	1.9
347.12805	1.1
365.13785	5.1
367.11838	0.9
379.11780	4.4
394.34079	0.8
487.13699	0.9
505.14685	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	505.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.8
53.03930	9.7
55.01857	4.3
55.05503	22.7
57.03436	10.0
60.51527	1.7
65.03935	3.4
65.13126	1.6
66.20016	1.9
67.05138	3.7
67.05496	74.2
69.03393	2.6
69.07056	16.4
71.04980	3.4
71.70661	3.1
73.06535	3.0
79.05481	100.0
81.03403	10.2
81.07047	62.2
83.04967	15.6
83.08601	8.2
85.06536	4.4
86.09679	2.2
91.05467	85.6
93.07031	96.8
95.04948	32.0
95.08588	35.2
97.06523	8.7
97.10161	4.3
103.42979	1.9
104.47430	1.8
105.04513	3.0
105.07008	58.2
107.04945	9.5
107.08568	22.7
109.06506	9.4
109.10148	15.7
111.08053	3.8
115.05421	1.6
117.07018	11.8
119.08570	36.7
121.06487	3.6
121.10125	8.0
123.04433	2.0
123.08031	10.1
128.06294	2.3
129.07007	28.2
131.08505	6.6
133.10130	16.3
135.11641	4.5
141.06944	2.1
143.08524	9.9
145.10100	16.8
147.08023	5.4
147.11661	56.2
157.10040	2.7
159.11800	2.3
161.09570	6.9
161.13219	24.0
163.11172	4.0
171.11678	40.8
173.11653	2.4
173.13106	2.1
179.14293	2.6
184.07327	6.0
189.12737	19.2
200.00259	1.9
207.13792	46.1
225.14838	8.1
229.14375	3.3
259.20554	6.1
263.16379	2.1
281.17438	66.5
282.17679	2.4
333.24298	3.5
487.30490	64.6
488.30783	3.0
505.34338	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	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01854	1.3
55.05500	14.5
57.03421	7.0
57.07065	8.0
58.28012	1.1
59.04985	2.2
61.50520	1.2
65.03924	2.0
67.05492	63.3
69.07066	10.9
71.04980	3.8
71.08601	3.3
71.24352	1.1
71.70229	1.2
79.05077	1.8
79.05483	19.1
79.26439	1.1
81.03406	8.2
81.07042	27.6
82.07323	1.3
83.04909	1.4
83.08598	12.5
85.06534	1.6
85.10173	3.2
89.03893	4.9
90.40817	1.1
91.05466	29.3
93.07023	20.1
95.04926	5.1
95.08585	19.7
97.06524	1.6
97.10151	6.5
99.08101	1.6
105.07012	27.5
107.08573	15.4
109.06432	1.7
109.10139	50.6
111.08051	3.0
117.03351	16.2
117.06991	5.5
119.08557	27.7
119.09403	2.0
121.10136	9.7
123.11645	2.5
125.09641	3.2
129.06973	4.3
131.08563	10.7
132.84145	1.1
133.10112	15.1
135.04378	1.8
135.08060	1.8
135.11673	8.4
137.09573	3.3
143.08582	2.5
145.02814	33.1
145.10118	9.9
147.11665	20.3
149.05946	4.5
149.09543	1.6
149.13226	3.8
155.10616	3.1
157.10103	5.3
159.11655	7.9
161.13213	15.8
163.03874	1.4
163.14719	1.6
171.11638	3.8
173.11700	18.6
173.13248	5.1
175.11137	2.0
175.14789	6.2
176.99232	1.7
177.05432	100.0
185.13222	4.1
186.05426	1.8
187.14807	2.5
189.11223	2.6
193.12112	6.0
195.06427	2.2
199.14795	3.4
227.12682	5.2
229.14325	37.4
231.21004	4.5
241.19498	15.5
259.20544	41.4
261.22061	3.6
277.21527	2.2
315.23099	3.9
333.24170	16.1
351.25342	1.9
395.29190	1.3
413.30533	2.0
487.34128	8.0
505.24930	2.2
505.38062	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	505.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.6
55.01850	1.7
55.05237	1.2
55.05499	15.0
57.03423	7.6
57.07064	2.3
59.04984	4.7
65.03933	2.8
67.05491	100.0
68.05825	1.0
69.03415	0.8
69.07064	8.2
69.09444	0.8
70.16596	3.3
71.04981	2.8
72.80676	0.8
74.46622	0.8
79.05476	23.3
81.03425	0.9
81.07043	30.9
83.04973	1.2
83.08605	8.8
83.15060	0.8
85.06516	3.6
91.05457	36.8
93.07025	33.7
95.04942	3.4
95.08581	18.4
97.06509	1.5
97.10168	2.9
98.21360	1.1
98.52644	0.8
99.08072	2.2
103.05386	1.0
105.04556	1.0
105.07009	37.0
107.08566	18.1
108.09933	0.8
109.06509	1.7
109.10133	70.6
110.10462	1.0
111.08045	3.2
115.05418	1.0
117.06980	8.7
119.08553	34.7
119.09412	1.9
121.10123	12.3
123.08077	1.1
123.11656	1.2
125.09621	2.7
127.11195	0.9
129.06976	5.2
131.08534	14.3
133.10114	24.0
135.11661	10.7
137.09605	4.4
143.08560	4.5
145.10095	12.2
147.11652	27.3
149.09615	1.9
149.13223	8.7
155.10590	4.6
157.10103	6.5
159.11636	12.7
161.13235	21.5
163.14853	2.1
169.10063	1.1
171.11653	6.9
173.11714	22.6
173.13242	6.9
175.14784	9.6
177.12750	1.2
183.11716	0.9
185.13226	4.6
187.14807	2.2
189.11153	3.0
189.12717	1.1
189.16277	1.0
198.26970	0.8
199.14764	4.9
201.16360	1.1
203.14203	0.9
203.17859	1.0
213.16306	1.4
217.19478	1.1
227.12714	6.6
229.14307	54.5
231.21048	6.2
241.19455	22.0
243.21123	0.8
259.20514	56.3
260.20874	1.3
261.22104	3.1
277.21545	1.6
315.23083	3.8
333.24176	28.8
334.24490	1.3
395.29532	1.2
413.30258	2.5
431.31418	1.3
487.34195	9.4
505.35031	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	505.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01863	1.5
55.05504	12.2
57.03430	8.3
57.07070	2.5
59.04990	4.2
65.03925	2.7
67.05494	100.0
69.03413	0.9
69.07056	7.4
71.04980	3.9
75.23575	0.9
76.31841	0.9
79.05482	24.3
80.11431	0.9
81.06693	0.9
81.07043	29.5
83.08610	10.4
85.06536	5.3
91.05466	32.2
93.07029	30.6
93.07479	1.1
95.04945	3.1
95.08594	18.4
97.06532	2.3
97.10172	3.5
99.08082	1.0
105.07015	33.6
107.08579	18.0
109.06499	1.6
109.10137	71.7
111.08072	3.7
111.11752	1.1
117.07018	7.8
119.08562	32.2
121.10127	12.5
123.11683	1.3
125.09601	2.5
129.06978	5.5
130.07802	1.3
131.08549	12.4
133.10103	22.5
135.08070	0.9
135.11678	12.1
137.09618	4.1
142.07790	1.1
143.08568	6.6
145.10103	12.3
147.11664	25.4
149.09644	1.2
149.13217	7.5
151.11145	1.1
155.10591	4.8
157.10085	5.1
159.11681	9.7
160.74030	1.0
161.13237	20.4
163.11176	2.2
163.14784	2.2
171.11607	6.9
173.11728	22.0
173.13249	6.4
175.11230	1.3
175.14824	6.6
185.13303	5.8
187.14813	1.9
189.11201	1.7
189.16414	1.2
199.14835	3.6
203.14294	1.2
213.16470	1.4
227.12718	4.9
229.14314	47.6
231.20934	5.1
241.01776	1.2
241.19466	19.6
257.19153	1.5
259.20532	49.7
260.20792	1.2
261.22015	2.5
277.21573	2.2
306.37213	1.0
315.23151	3.4
333.24219	25.8
377.28687	1.1
413.30469	3.1
439.23871	1.2
487.34116	9.6
499.39630	1.2
505.34891	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	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.8
55.01857	5.3
55.05501	47.1
57.03421	8.3
57.07067	18.0
59.04977	4.1
65.03910	3.2
67.05494	100.0
69.03409	2.8
69.07057	21.1
69.50617	13.6
70.27714	1.3
71.04974	5.7
71.08616	11.1
78.39637	1.3
79.05028	2.4
79.05480	44.1
80.05806	1.6
81.03408	33.5
81.07041	58.6
83.04958	4.3
83.08609	29.9
85.06520	2.6
85.10169	7.0
91.05466	36.7
92.47273	1.4
93.07027	46.0
95.04956	11.5
95.08592	38.6
97.02820	1.7
97.06506	2.6
97.10155	34.0
98.21432	3.0
99.08035	2.2
105.07005	33.5
107.04929	3.2
107.08574	33.6
109.06453	2.0
109.10132	56.8
111.08051	7.9
115.05448	1.3
117.06989	9.1
118.81605	1.5
119.08556	33.8
121.06482	1.5
121.10114	19.0
123.08071	2.1
123.11669	3.2
125.09615	28.1
127.11165	1.3
129.06978	4.9
131.08543	16.3
133.10107	23.3
135.08008	5.1
135.11679	12.8
137.09590	3.6
137.13213	2.8
143.08511	3.1
145.10124	11.7
147.08080	2.0
147.11661	21.9
149.09596	4.0
149.13237	6.1
153.09061	2.2
155.10666	3.1
157.10103	8.4
159.11682	11.1
161.13225	14.1
163.08322	1.3
163.14763	2.3
171.10219	1.9
171.11642	5.0
173.11697	12.7
173.13248	7.2
175.11191	3.9
175.14772	3.9
179.14326	2.7
185.13203	5.3
187.14815	2.5
189.11209	25.4
193.12210	18.9
195.00287	9.2
199.14781	2.7
227.12758	23.1
229.14307	27.1
231.21049	3.5
239.23695	4.1
241.19508	15.1
243.21025	2.2
249.14783	1.7
259.20517	35.6
261.22095	14.8
266.81573	1.9
275.19901	1.6
277.21524	3.4
303.64740	1.5
311.25607	1.6
317.24506	2.9
328.27100	1.6
333.17401	2.2
333.24261	14.9
348.65771	1.5
413.30139	2.3
418.04489	1.5
431.31973	1.4
487.34158	6.7
505.35138	27.3
505.37921	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	505.388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38758	1.7
53.03938	4.7
55.01868	3.0
55.05505	23.0
57.03428	1.9
57.07064	29.8
63.20417	1.6
64.12523	1.5
67.05496	31.1
69.07060	25.1
69.38013	3.2
69.38418	16.6
71.04960	1.8
71.08624	22.4
79.04553	1.5
79.05480	21.1
81.03404	56.3
81.07041	36.3
83.04971	3.8
83.08603	31.3
85.06525	1.9
85.10182	10.6
88.02322	1.5
91.05463	19.0
93.07024	17.2
95.04959	13.5
95.08591	24.6
97.06538	4.1
97.10153	18.1
102.46077	1.6
105.06986	9.3
107.04956	3.0
107.08586	10.4
109.06503	3.1
109.10136	9.9
111.08066	4.9
111.11710	3.9
115.05444	1.7
117.07018	2.6
119.08549	11.5
121.10145	7.5
123.11701	6.3
125.09606	2.4
127.32954	1.7
129.07010	5.5
131.08557	5.9
135.11720	3.9
142.07837	2.0
147.11710	6.2
149.13255	7.4
153.27242	1.9
157.10149	6.1
159.11635	2.2
175.11108	7.8
177.12650	1.8
189.11201	1.8
193.12206	22.4
195.13763	3.2
217.17123	1.9
227.12808	2.0
237.22182	6.4
239.23730	7.4
249.14848	5.0
505.38940	100.0
506.39368	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	505.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.0
55.01858	1.9
55.05503	19.8
57.03424	1.7
57.07066	47.0
61.07246	1.3
65.03921	2.8
67.05493	45.4
69.03412	3.2
69.07060	13.0
69.75338	2.8
69.75735	8.7
71.04990	2.9
71.08618	32.0
71.09016	1.7
74.43832	1.2
75.24419	1.2
79.05482	20.3
81.03404	100.0
81.07044	40.5
83.04983	3.7
83.08608	34.9
85.06538	3.1
85.10167	18.8
89.31039	1.3
91.05465	27.4
91.06022	1.6
93.07037	15.0
95.04951	25.9
95.08591	37.5
95.09192	2.1
97.02896	2.4
97.10159	10.4
98.21423	2.5
99.08113	3.0
105.07004	17.0
107.04932	6.1
107.08576	8.2
109.06490	2.9
109.10136	20.7
111.04430	1.4
111.08060	6.8
111.11729	1.8
117.06957	1.8
119.08568	13.5
121.06482	2.6
121.10136	9.6
123.04425	2.8
123.08083	1.7
123.11715	3.7
125.09613	2.1
125.13419	1.3
128.06197	1.6
128.37497	1.3
129.06990	11.0
131.08546	11.8
133.06566	2.3
133.10112	8.8
135.11687	4.2
137.13281	2.4
140.47130	1.3
142.07832	3.7
145.10129	1.6
147.08066	2.7
147.11665	7.5
149.09596	6.4
157.10120	10.0
161.13356	2.0
173.11705	2.0
175.11154	8.9
179.14291	8.9
193.12212	52.0
215.03792	1.4
227.12819	2.0
229.14427	4.2
231.13922	1.6
239.23682	10.4
241.19611	1.8
249.14850	7.8
259.20663	3.6
267.66177	1.5
277.21487	6.1
333.24130	2.1
338.12360	1.4
505.39011	73.0
506.39221	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47054	1.4
53.03933	3.9
55.01854	3.5
55.05501	19.1
57.06796	2.7
57.07066	43.6
58.52794	1.3
65.03912	1.8
67.05135	2.9
67.05492	47.4
68.75389	1.3
69.03410	1.7
69.07058	14.3
70.87722	4.1
71.08617	34.5
71.09011	1.8
76.24023	1.4
79.05489	18.7
81.03403	93.4
81.07042	44.4
83.04970	4.7
83.08607	35.8
85.10169	20.1
86.15354	1.3
87.23209	1.4
91.05465	29.1
93.07032	16.8
95.04949	25.3
95.08588	36.6
97.02838	3.1
97.06532	2.3
97.10154	12.6
99.08109	3.1
99.11735	1.5
105.07019	23.1
107.04960	7.7
107.08576	5.8
109.06503	5.6
109.10140	23.5
111.04433	2.0
111.08049	9.3
111.11684	2.2
112.82166	1.5
115.05474	2.0
117.07034	2.3
119.08555	17.3
121.06487	3.1
121.10117	7.7
123.04417	2.2
123.08028	1.7
123.11724	5.4
129.06952	11.7
131.08556	10.6
133.06485	4.9
133.10094	7.4
135.11699	2.0
142.07788	3.8
145.10139	3.6
147.08063	3.3
147.11655	11.1
149.09627	4.6
149.13252	2.0
157.10086	13.8
159.11696	2.0
173.11816	2.5
175.11122	13.5
185.13300	2.5
193.12201	68.0
195.37956	1.5
211.13419	1.5
227.12651	1.5
229.14447	1.9
231.13954	2.1
239.23682	10.7
249.14885	8.1
259.20258	3.2
277.21619	3.5
313.27008	1.9
357.09134	1.4
364.67947	1.6
505.38898	100.0
506.39383	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94330	0.8
53.03926	5.9
53.51004	0.9
55.01851	1.6
55.05502	13.1
57.03419	1.1
57.07064	44.4
57.07347	2.4
65.03944	2.1
67.05488	35.2
69.03424	2.0
69.07055	11.3
69.25871	0.8
71.05001	1.2
71.08615	31.5
79.05476	19.9
80.05868	0.7
81.03400	99.3
81.07040	31.9
83.04970	3.8
83.08604	28.7
85.06512	1.2
85.10162	18.1
91.05460	21.9
93.07023	9.6
94.90290	1.0
95.04946	27.7
95.08586	33.0
95.09200	1.9
96.67603	0.9
97.02892	2.5
97.06515	1.6
97.10140	7.9
98.21429	3.5
105.07008	17.8
107.04928	6.2
107.08564	5.2
109.02910	1.0
109.06499	3.0
109.10132	15.5
111.04429	1.6
111.08046	6.9
111.11705	1.9
115.05458	1.7
117.06961	1.9
119.04925	1.6
119.08556	13.3
119.09310	1.4
121.06487	2.4
121.10120	5.6
123.04432	2.4
123.11673	5.4
125.13260	2.4
129.06972	9.9
131.08528	8.7
133.06458	3.2
133.10127	4.8
135.11620	1.0
137.09657	1.5
137.13252	4.3
142.07758	3.3
145.10135	2.0
147.08086	2.4
147.11629	6.6
149.09583	4.9
149.13312	0.9
152.23354	0.9
157.10104	9.5
163.11070	1.0
165.12750	2.8
175.11139	9.9
179.14299	1.7
193.12207	62.1
205.12334	1.3
229.73433	1.6
231.13846	1.3
239.23616	10.3
249.14838	8.4
277.21594	1.2
317.16891	1.0
425.26398	1.1
494.45844	1.0
505.38855	100.0
506.39435	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.5
55.01869	9.3
55.05491	7.7
57.03403	4.9
61.02915	8.7
67.05487	13.7
69.03426	29.8
69.07066	7.3
70.06568	21.6
71.04984	4.5
71.68255	7.8
72.08138	5.3
73.02908	8.3
79.05486	12.5
81.03403	24.0
81.07046	17.7
82.07404	4.3
83.04972	9.3
84.08129	7.7
85.02893	76.0
86.09691	9.8
87.00816	29.8
91.05463	11.9
93.07036	28.2
94.06516	4.9
95.04972	6.3
95.08611	13.3
97.02883	34.8
99.04452	12.1
105.01843	30.2
105.07050	4.9
107.04922	5.9
107.08562	24.2
109.02847	22.1
109.06505	9.8
109.10136	10.2
110.06067	4.3
111.04504	5.1
111.08076	7.0
119.08558	15.0
120.08055	9.6
121.06474	4.9
121.10152	12.1
123.08048	18.8
127.03917	55.0
133.10110	15.1
135.08038	8.9
135.11636	28.4
137.06015	8.0
137.09593	55.1
139.07521	6.8
145.04950	14.2
149.13214	7.1
151.03891	4.7
159.02974	7.1
159.11699	13.0
160.57088	4.2
161.09666	5.2
163.07596	4.5
163.11191	5.5
165.09062	4.3
166.08662	4.8
177.05388	8.9
177.12709	64.5
179.10730	8.3
181.08556	11.8
187.40620	4.8
189.03986	5.1
195.11942	6.4
195.13757	100.0
196.14148	5.4
199.45833	4.3
205.12190	8.0
213.03841	6.4
222.79092	4.2
223.13243	90.4
231.05013	8.6
241.14381	43.4
249.06088	7.1
255.58612	5.4
303.04935	8.2
326.23260	18.6
327.05127	6.0
344.07846	4.7
344.24261	27.5
382.14771	5.3
428.15402	7.9
453.17456	4.7
456.14789	9.5
474.15976	6.4
488.17212	5.0
506.18045	10.1
506.29550	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	506.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22787	0.4
53.03944	3.6
53.87468	0.5
54.05694	0.4
55.01861	3.1
55.05504	0.8
57.03419	2.7
61.02907	2.0
64.53183	0.5
67.05489	2.8
68.99761	0.9
69.03423	13.2
69.07036	0.9
69.89046	1.8
69.89478	1.4
70.06566	1.0
71.04992	2.5
72.08149	0.6
73.02888	1.8
78.25961	0.4
79.05479	1.2
81.03402	12.3
81.07036	2.7
82.06577	0.6
83.04977	4.2
84.04487	0.5
85.02893	22.8
86.09676	1.4
87.00819	8.3
87.35795	0.5
87.65472	0.5
91.03960	0.7
91.05453	1.3
93.07038	2.4
95.04957	3.1
95.08577	4.0
97.02880	10.4
97.06493	1.5
98.21472	0.6
99.04427	4.9
105.01862	6.1
105.06998	2.6
107.04937	0.5
107.08595	2.5
109.02862	10.2
109.06518	1.1
109.10159	3.1
111.04457	0.6
111.08044	1.0
115.03936	0.5
119.08537	2.4
120.08072	0.7
121.06513	0.9
121.10120	2.4
123.08048	100.0
124.03935	1.1
124.08374	1.3
125.06030	1.3
125.09609	1.9
127.03896	15.4
129.01848	1.0
131.08525	0.8
133.10121	2.5
135.08081	1.2
135.11639	1.2
137.02335	1.3
137.05957	1.8
137.09599	2.7
139.07530	1.6
141.09145	2.4
145.04948	5.6
145.10094	1.7
147.02811	1.0
147.08044	0.6
149.06007	0.7
149.09673	0.8
151.11209	2.7
153.01817	1.8
153.09122	1.4
154.08612	0.8
159.02866	3.2
159.11655	1.4
161.09598	12.2
163.11147	5.1
165.01801	0.7
165.09122	2.8
167.07031	1.7
177.12773	0.7
179.10645	34.6
180.10979	0.5
180.70313	0.5
181.12260	1.3
187.06012	2.1
195.13745	0.8
197.09999	1.0
197.11691	8.8
198.18483	1.6
205.12248	4.9
211.07590	0.7
213.03917	0.7
220.13234	0.9
221.11781	0.9
223.13248	17.8
229.04965	1.2
231.04970	3.0
239.12772	1.3
241.14296	14.1
241.16608	0.9
243.10231	0.8
249.06160	0.5
257.04453	0.6
278.21286	0.8
303.04938	30.0
308.22095	0.8
326.23120	0.9
344.24350	0.8
359.16397	0.7
409.14929	0.5
427.15872	0.6
457.12631	0.5
506.19342	0.5
506.29605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.9
54.65464	1.6
55.01860	5.8
55.05502	16.9
57.03412	4.7
59.04969	3.0
61.02911	3.5
67.05482	8.5
67.77883	2.0
68.80415	1.8
68.99780	2.6
69.03417	36.5
69.07040	2.6
69.51513	17.6
70.06574	9.0
71.04976	5.9
73.02897	3.7
79.05482	8.7
81.03396	19.0
81.07034	11.6
81.78985	1.9
83.04974	19.2
84.08135	4.3
85.02888	100.0
86.09705	2.4
87.00810	29.7
87.70924	1.7
91.05477	7.0
93.07027	15.3
95.04958	12.7
95.08587	11.5
97.02876	27.3
97.06525	13.8
99.04436	15.0
99.08064	12.8
105.01849	65.2
105.07005	12.2
107.04919	3.0
107.08556	8.9
109.02863	33.7
109.06508	11.9
109.10143	6.9
110.05976	2.1
113.05983	6.1
117.01871	2.8
117.06954	4.2
119.08570	19.3
121.06501	8.3
121.10109	14.4
123.02868	1.9
123.08054	24.1
125.05960	14.1
127.03893	54.8
127.07536	3.2
129.01775	2.8
129.05455	3.1
131.08551	2.5
133.10098	2.6
135.08041	8.0
135.11661	7.3
137.05937	5.6
137.09584	18.4
138.05434	2.5
139.03778	2.3
139.07553	2.6
139.11130	3.0
143.07024	6.7
143.08484	2.2
144.09248	2.4
145.04921	27.7
145.10129	8.6
147.08035	19.5
149.13248	2.9
151.07431	2.0
157.07404	2.1
159.02835	9.5
159.08018	3.0
159.11707	16.4
161.09564	5.5
162.10350	3.6
163.11168	45.6
165.09091	36.5
167.07021	2.8
172.08830	2.0
175.11150	2.4
177.05423	3.0
177.12758	9.9
179.10619	2.4
181.12076	3.9
187.11160	11.5
189.03978	3.3
195.13826	2.2
205.10580	1.3
205.12212	77.4
213.03925	6.5
223.13263	87.6
231.04961	23.2
249.06055	9.2
259.40594	2.1
325.19849	1.8
415.19061	2.8
460.21246	2.3
506.23273	9.8
506.29114	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	506.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01855	3.6
55.05495	1.4
57.03432	9.6
59.04979	0.9
60.04503	1.0
61.02921	7.1
62.48048	0.7
67.05493	2.4
67.26511	0.7
69.03422	16.9
69.07038	1.3
70.06572	1.6
70.45896	1.9
70.46268	1.6
71.01326	2.7
71.04986	1.4
73.02905	46.6
75.58526	0.8
79.05470	3.4
81.03394	4.4
81.07050	1.6
83.04964	1.8
84.08118	0.9
85.02895	34.0
85.99235	0.8
86.09692	1.0
87.04432	2.1
91.03956	1.1
91.05460	2.4
93.06999	1.8
95.04937	2.5
95.08618	1.8
97.02882	24.5
99.04446	2.3
103.03880	1.3
103.05421	1.7
105.07007	3.3
107.04938	34.0
107.08586	1.4
109.02867	3.1
109.06490	1.6
109.10125	1.5
110.09681	1.1
111.04386	1.0
115.03914	12.2
115.05465	1.9
117.07018	2.2
119.08560	1.1
120.05701	1.0
121.06474	1.2
123.04409	2.0
123.08009	1.0
124.07551	1.9
127.03902	10.9
133.04944	14.2
135.04396	1.0
135.08038	13.7
137.05951	2.0
144.06577	2.1
145.04939	10.4
147.04446	0.9
150.07651	1.3
155.07025	1.0
156.06490	1.3
162.07669	1.9
163.03856	1.2
163.06082	1.9
163.07515	41.9
165.09059	1.2
166.08685	1.2
167.06996	11.1
167.64479	0.9
173.08080	2.6
175.07498	1.0
180.07831	3.3
187.07507	1.7
195.10141	100.0
196.10535	1.1
198.18495	12.8
207.10135	2.4
219.10133	1.4
223.05933	2.0
237.11290	1.1
241.06992	1.5
259.07883	1.1
267.09708	1.5
273.11194	2.8
276.10876	1.0
291.12292	1.9
294.11734	1.4
303.04938	11.2
308.22260	1.0
312.67520	0.8
326.23047	4.0
344.24075	0.9
352.43814	1.0
394.85364	0.9
415.03430	1.0
447.31125	1.0
474.18893	1.9
506.18903	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17403	1.1
51.16091	1.5
53.03936	3.8
55.01860	2.4
55.05508	7.4
56.05011	2.1
57.03421	3.4
60.04507	2.1
61.02901	2.4
65.03920	2.2
67.05495	16.2
68.04993	2.1
69.03416	11.6
69.07071	3.3
70.06571	4.1
71.04961	3.9
71.69975	2.4
72.04501	2.9
72.08124	1.9
73.02893	2.9
79.05475	10.7
80.05003	17.3
81.03396	5.7
81.05766	3.4
81.07043	14.1
82.06561	3.2
82.07336	1.3
83.08601	2.2
84.04512	3.2
85.02893	17.7
86.09676	1.2
87.00797	3.0
91.05481	10.7
93.05778	2.4
93.07028	9.4
94.06553	21.4
95.04956	5.3
95.07334	4.6
95.08587	16.7
96.04479	22.8
96.93263	1.2
97.02866	8.4
97.06492	2.0
97.10157	1.6
98.06038	4.4
99.04446	3.2
99.07991	1.2
100.03956	2.7
103.05460	2.9
105.01864	3.0
105.07014	8.2
106.06535	3.5
107.04960	2.0
107.08556	5.3
108.04417	6.6
108.08077	3.5
109.02869	5.2
109.10106	4.8
110.06025	15.6
110.09669	2.2
111.00743	1.3
111.04386	1.3
111.06804	2.0
112.03944	3.3
114.05497	2.3
117.06986	2.7
118.06521	9.8
119.08566	3.2
120.08068	7.5
121.02821	1.4
121.06550	1.6
121.10112	3.6
122.05993	10.1
123.04413	1.8
123.08061	2.0
124.07568	1.5
126.05489	11.8
127.03899	6.9
128.07057	4.1
130.06479	1.4
131.08556	3.8
132.08086	6.5
133.08855	2.6
133.10110	3.0
134.05969	4.8
134.09601	4.6
135.11656	2.5
136.07545	6.7
136.11159	2.7
137.02321	9.3
137.05927	3.6
137.09573	3.7
138.09114	3.3
144.06543	5.7
144.08070	1.8
145.04903	2.0
146.09572	2.8
147.04416	1.6
148.07541	2.9
148.11195	3.6
150.09087	1.8
150.12692	1.9
152.07059	2.1
153.01814	6.9
154.01978	1.4
156.06538	3.8
159.10324	1.3
159.11615	2.1
162.09254	1.5
163.03842	1.4
164.10712	2.1
166.08614	3.4
170.08134	3.2
170.09566	1.3
177.05429	1.5
177.12712	2.5
190.04984	1.8
192.13814	1.4
193.82954	1.4
195.13785	3.0
197.06168	1.6
201.05431	2.0
204.08672	4.0
215.03336	1.5
217.04913	2.5
223.13287	3.2
229.04933	3.0
241.14305	3.7
245.04437	1.9
253.04866	4.0
257.04504	2.1
260.20114	3.6
261.21005	1.7
262.21625	2.9
271.06006	1.8
272.20093	2.8
273.03864	3.6
278.21066	9.3
280.22644	1.5
281.04297	2.5
284.06674	3.0
285.03824	2.7
290.21027	9.4
296.22168	34.9
298.06870	1.5
299.05304	4.8
300.08789	1.6
301.03162	6.3
302.04053	1.8
303.04929	23.3
308.22153	79.8
309.03827	2.8
310.04388	1.5
312.05963	1.5
316.08157	1.6
326.06451	5.5
326.23196	22.1
327.04916	54.2
328.05200	3.6
329.06760	1.7
330.07501	1.7
344.07599	49.0
344.24261	100.0
345.09891	12.5
345.24533	2.4
506.18936	1.9
506.29791	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	507.1125
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03939	3.1
55.01867	0.9
56.40454	0.2
57.03421	0.9
61.02907	0.8
61.62524	0.2
67.01839	0.2
68.99767	0.6
69.03417	10.1
69.44162	2.1
70.06599	0.4
71.01334	0.2
71.04991	1.2
73.02907	1.1
81.03402	13.9
83.01318	0.2
85.02888	5.2
86.09692	0.6
93.03352	0.4
95.04938	0.3
97.02876	5.6
99.04436	2.5
103.03964	0.2
109.02860	8.7
109.37121	0.2
111.00780	0.8
115.03930	0.2
121.02821	1.2
123.04424	0.4
127.03893	7.9
135.04327	0.3
137.02325	3.9
137.03384	0.4
145.04895	1.3
149.02310	0.5
153.01790	4.5
155.04900	0.2
163.03902	0.7
165.01834	2.3
166.02599	0.2
173.05965	0.6
183.02948	1.0
183.04300	0.3
187.04204	0.3
187.05981	7.0
187.07613	0.4
191.03424	0.3
195.02713	0.3
201.05417	1.9
205.04755	0.3
225.25230	0.2
228.04124	0.4
229.04927	5.1
247.06058	0.9
257.04404	3.0
262.25278	0.2
274.04675	1.0
275.05423	0.3
285.03806	1.4
303.04935	100.0
304.05316	2.5
345.06082	0.3
411.06879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1127
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.15274	0.2
51.63958	0.2
52.21850	0.2
53.03935	2.7
55.01853	0.9
55.05488	0.2
57.03421	0.9
61.02905	0.8
65.03926	0.2
67.05459	0.2
68.99782	0.5
69.03418	10.0
70.06590	0.3
71.04970	0.9
73.02917	1.0
79.05452	0.3
81.03407	13.1
81.07039	0.4
85.02892	5.7
87.00828	0.3
93.03373	0.3
93.07011	0.3
95.04937	0.5
95.08583	0.3
97.02248	0.3
97.02875	5.4
98.21473	0.4
99.04440	2.1
105.01801	0.3
109.02863	8.4
109.10083	0.3
111.00770	1.0
115.03938	0.3
119.08543	0.3
121.02851	0.9
123.04422	0.5
123.08043	2.6
124.08376	1.1
127.03896	7.3
128.04242	0.3
133.06438	0.2
135.04445	0.2
137.02313	3.4
139.03905	0.3
145.04942	1.7
145.06400	0.3
149.02321	0.4
153.01796	3.5
154.85466	0.2
159.04253	0.2
161.09558	0.4
163.03886	0.6
165.01823	2.0
165.09029	0.4
166.02612	0.4
171.02873	0.2
173.05978	0.4
179.10638	0.8
180.11029	0.5
183.02875	1.1
183.04343	0.3
187.05984	6.6
197.11661	0.3
201.05420	1.5
213.05499	0.4
219.02803	0.2
219.06479	0.3
223.13174	0.4
224.13593	0.5
229.04930	5.0
241.14346	0.4
242.14638	0.5
247.06001	0.7
257.04428	2.7
259.24527	0.2
274.04755	0.7
285.03906	1.3
303.04941	100.0
304.05225	1.5
344.24286	0.2
345.06046	0.5
355.11566	0.3
376.09305	0.2
507.16403	0.3
519.98865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1491
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
56.22812	0.2
57.86139	0.2
67.05477	0.3
69.03424	0.3
69.87162	1.1
69.87578	0.4
70.06552	0.4
85.07645	3.6
95.04893	0.2
98.20705	0.3
100.01096	0.3
107.04948	0.3
114.26692	0.3
121.02847	0.4
124.03976	0.3
127.03845	0.3
137.06012	0.3
137.09593	0.4
145.09705	0.5
151.03922	0.6
167.03351	0.4
185.05862	0.3
196.05176	1.1
199.07538	0.3
203.03448	0.3
213.05481	1.6
217.04950	0.5
224.04622	0.7
225.05447	1.0
227.06908	0.5
227.09001	0.2
231.06528	0.4
241.04932	4.6
252.04283	0.4
253.04865	1.1
255.06602	0.4
256.07208	0.4
259.06079	0.7
269.04474	1.7
272.02908	0.3
281.04251	0.3
284.06735	23.4
285.07190	0.4
286.04623	0.6
287.05423	4.2
297.03918	0.8
299.05502	1.5
300.02737	0.3
300.06171	0.6
301.07043	2.6
302.07797	0.3
303.05005	0.8
303.84146	0.3
311.05475	3.2
312.06207	9.0
313.06982	2.6
314.04044	0.3
315.04944	6.9
316.05737	1.8
329.06479	4.9
330.07281	12.2
345.09622	100.0
346.09891	2.9
450.17361	0.3
475.17596	0.3
479.39255	0.3
507.14355	1.5
507.31268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74602	1.1
53.03936	2.4
55.01854	4.0
55.05506	2.1
57.03419	3.2
61.02921	2.7
64.02972	1.3
65.03915	2.1
67.05505	2.3
67.88158	1.0
68.99770	3.0
69.03410	11.8
70.08007	6.4
71.04968	2.9
73.02905	3.6
79.05476	1.7
81.03399	11.1
81.07049	3.3
81.45408	1.1
83.04974	1.3
85.02892	31.9
87.00808	10.9
91.05464	75.5
93.07025	1.2
94.25547	1.0
95.04958	2.4
95.08570	2.2
97.02885	10.4
99.04446	4.6
103.03910	3.0
103.05442	2.5
105.01846	5.7
105.07011	100.0
106.07356	1.8
107.04871	1.3
107.08556	2.1
109.02869	13.4
109.10163	2.4
111.00779	1.8
115.05435	4.9
117.01820	2.0
118.52463	1.0
119.08537	2.9
121.10162	2.0
123.04425	2.7
127.03898	20.5
127.04848	1.2
129.01788	5.1
129.06940	2.2
131.08530	1.8
133.06468	19.0
133.10123	2.1
139.03889	2.7
141.20343	1.1
143.08549	2.1
145.04909	7.4
145.10086	1.7
147.02861	1.8
147.11656	1.7
149.02361	1.3
149.09535	1.3
151.03905	10.5
153.01787	1.5
155.03362	2.5
157.06505	6.8
157.10088	1.2
159.02899	8.4
159.11653	1.9
163.03935	2.4
165.05539	1.5
165.06940	1.7
165.09048	1.3
169.05008	1.8
171.07968	1.6
175.03970	1.5
189.05481	1.6
193.04948	3.9
195.08128	1.5
201.05420	1.5
205.04887	2.1
217.04866	5.1
231.05008	3.8
235.05994	4.2
241.08498	1.8
245.04425	2.1
253.08673	1.3
253.19502	2.7
259.09619	49.8
265.08594	2.4
283.09604	12.1
301.10678	17.7
303.05145	1.7
303.10214	1.5
321.11044	1.4
325.10654	16.5
327.23077	2.8
331.09775	2.0
349.10709	9.9
367.11746	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1493
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03936	1.4
55.01864	1.4
55.05493	0.5
57.03442	0.9
61.02910	0.8
64.59376	0.4
65.03927	2.4
67.05489	1.2
68.99785	5.3
69.03420	4.8
69.07064	0.8
69.43065	5.3
71.04971	0.8
79.05479	1.8
81.03400	4.7
81.07032	2.3
83.08579	0.8
85.02893	9.9
87.00823	3.2
91.05465	83.0
93.07024	1.2
95.04958	1.4
95.08594	2.6
97.02876	3.0
99.04446	2.1
103.05435	1.6
105.01869	2.7
105.07013	87.0
106.07334	1.1
107.04935	0.8
107.08584	0.8
109.02866	4.7
109.06483	0.5
109.10117	1.7
111.00791	15.8
115.05443	6.2
117.01815	0.5
119.08478	0.5
121.10062	0.9
123.04385	0.9
123.11719	1.1
127.03898	38.2
128.04222	0.5
129.06993	1.4
129.41743	0.4
131.08546	4.4
133.06465	14.8
133.10106	0.7
135.11600	0.5
139.03862	2.1
139.76550	0.6
145.04977	2.8
147.02890	0.7
149.09596	1.0
151.03867	2.9
153.01782	1.4
155.03354	3.6
155.08398	0.5
157.06462	1.7
159.02844	3.0
163.03864	2.3
171.07988	0.7
175.07507	0.9
181.04951	1.2
195.08080	0.7
213.09076	0.8
223.07556	0.6
224.86728	0.5
241.08592	6.3
259.09622	100.0
260.09921	1.8
303.04929	0.9
389.05380	0.6
442.72751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	18.2
53.76656	5.2
55.01852	16.9
55.05490	14.8
57.03413	13.4
61.02908	13.7
67.05479	18.2
68.99778	12.0
69.03413	36.4
69.07042	6.1
70.06564	6.7
71.04968	9.0
71.69740	6.0
73.02906	11.5
77.98521	4.3
79.05456	17.4
79.05874	4.5
81.03393	39.7
81.07050	25.8
83.04967	7.4
83.08582	6.6
85.02888	100.0
87.00813	50.7
91.03961	5.7
91.05474	34.2
93.07036	32.1
95.04954	12.2
95.08580	18.2
97.02858	37.8
99.04430	19.4
103.05408	7.2
105.01831	17.3
105.07005	50.4
107.04928	14.8
107.08572	19.3
109.02852	39.4
109.06510	5.2
109.10164	13.6
111.04421	6.7
115.05435	5.6
117.01862	9.8
117.07011	27.5
119.08570	12.0
121.06486	73.4
121.10137	9.6
123.04413	6.5
123.11698	5.9
127.03891	52.0
129.01801	9.6
131.04910	21.3
131.08546	7.4
133.10069	10.6
135.08037	16.5
137.05937	10.5
139.03880	6.2
139.07558	8.7
139.11131	7.6
145.04936	15.6
145.06442	38.2
145.10059	8.7
147.02960	5.5
149.05927	16.1
150.06764	5.6
151.07509	59.4
153.09018	5.3
157.36707	4.5
159.02884	24.3
159.11658	9.3
161.05939	5.7
163.07547	12.4
165.09082	82.4
171.11658	5.9
173.05925	28.4
173.13145	5.5
205.08606	6.9
231.04977	8.8
259.09616	7.9
259.13245	61.3
269.11823	23.2
271.13303	12.5
275.10611	5.0
275.73917	4.6
283.13226	78.1
293.11615	6.8
301.14233	57.0
303.04810	11.6
315.37146	5.5
325.14233	42.8
349.14212	22.4
367.15262	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	507.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00099	3.0
51.02385	2.3
52.40979	2.3
52.48465	2.3
53.03936	15.9
55.01865	15.5
55.05508	14.9
57.03426	8.1
57.07058	9.9
61.02938	12.7
63.89833	2.4
67.05495	20.3
68.99769	10.5
69.03420	80.5
69.07053	17.7
69.72251	20.5
71.01355	2.9
71.04971	9.1
71.08620	2.7
73.02896	18.0
79.05479	12.1
81.03405	79.3
81.07037	19.7
83.04969	4.8
83.08598	10.0
85.02892	100.0
85.06541	10.1
87.00818	44.9
89.09707	2.5
91.03919	3.0
91.05473	18.9
93.07039	16.1
95.04955	4.2
95.08604	20.8
97.02881	41.8
97.10169	5.3
98.21488	3.3
99.04444	23.5
99.08026	4.5
102.14632	2.7
103.08669	3.8
105.01859	29.1
105.07017	58.1
107.04926	5.6
107.08580	19.9
109.02863	61.5
109.06566	3.1
109.10123	18.3
113.09623	4.3
115.03941	6.5
115.05430	2.8
117.01859	4.9
117.07026	12.3
119.08562	38.4
121.06484	5.4
121.10126	15.1
121.10856	2.6
123.04388	2.5
123.11691	7.7
125.09605	2.6
127.03900	96.8
128.06201	7.8
129.01817	7.8
129.06998	11.4
130.07780	5.9
131.08557	25.0
133.10107	28.5
135.11670	6.4
137.09599	7.0
141.06966	3.8
142.07759	30.6
143.00270	2.8
143.08543	43.1
144.09328	3.9
145.04950	29.2
145.10104	78.4
146.10400	3.1
147.02884	6.8
147.11707	14.4
149.09546	5.1
151.11108	4.9
155.08525	7.8
156.09317	24.4
157.10107	96.0
158.10635	3.5
159.02869	32.6
159.08047	3.9
159.11685	42.7
161.13219	8.0
163.11165	4.2
165.09074	32.5
169.10124	9.0
170.10875	29.8
171.11662	48.8
172.12218	3.5
173.13260	14.7
175.14897	3.2
183.11684	5.9
184.12476	4.9
185.13228	63.8
186.13669	3.7
187.14825	23.3
189.12740	3.6
191.14247	4.6
195.11717	3.3
197.13231	11.0
199.11147	3.3
199.14810	51.4
201.16365	44.3
203.14233	3.6
204.88121	3.0
205.12219	2.7
211.14807	4.8
213.03908	5.2
223.14894	5.7
225.16223	3.3
231.04944	12.4
235.07430	3.2
239.17987	2.6
241.19469	48.6
241.21873	3.2
243.21103	17.9
253.19443	2.8
257.18979	5.5
259.20633	21.7
271.20480	2.9
343.88998	2.8
449.98578	3.1
460.37808	3.0
471.23618	2.9
489.24667	5.0
507.25711	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	507.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	18.1
57.03415	8.2
67.05494	54.1
69.07042	12.7
79.05489	27.9
81.07039	48.1
83.08594	8.8
86.09687	6.9
91.05455	24.7
93.07026	34.4
95.08585	34.3
97.06528	4.4
98.21557	5.9
98.98456	46.6
104.10753	7.9
105.07002	13.3
107.08569	18.6
109.06481	3.4
109.10125	18.3
109.28838	3.7
119.08554	12.8
121.10103	12.5
123.11684	7.5
125.09673	4.0
131.08528	10.7
133.10083	5.3
135.11681	7.4
139.11206	4.5
145.10062	7.9
147.11655	5.2
149.13208	6.0
155.01030	17.6
159.11719	7.4
161.13162	5.0
163.14738	5.7
173.01979	4.9
173.13286	7.7
184.07333	10.5
187.14728	5.9
229.14217	3.8
242.15761	3.7
243.20959	7.7
247.05678	4.7
261.22131	21.6
269.08005	5.6
302.43488	4.1
317.24649	15.6
335.25735	100.0
426.52814	4.0
471.24966	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	507.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17127	3.0
50.26930	2.6
55.01878	3.4
55.05497	13.9
55.07420	3.1
57.07071	7.2
60.14504	2.8
67.05492	30.3
69.03412	8.5
69.07059	30.6
70.06581	5.5
71.04993	7.3
71.08621	3.7
71.68024	5.0
76.09332	3.4
79.05476	12.8
81.03384	9.2
81.07046	100.0
83.08604	13.8
85.02898	14.8
85.06528	10.7
86.09695	6.5
91.05465	6.7
93.07027	24.7
95.04948	3.9
95.08595	91.2
97.02874	3.6
97.06512	4.8
97.10158	9.6
99.08088	7.6
105.07012	9.5
107.04931	5.0
107.08585	24.8
109.02864	4.7
109.06505	4.1
109.10143	61.3
110.22891	2.9
111.08054	5.7
111.11699	11.7
119.08551	11.0
121.02913	2.9
121.06493	4.8
121.10114	19.9
121.54707	2.8
121.96527	3.1
123.04352	4.3
123.11693	40.4
124.03939	3.9
124.07696	5.1
125.13265	5.0
126.09140	3.9
127.03893	4.9
127.11153	14.8
130.56737	3.1
133.10089	5.0
135.08023	4.5
135.11662	15.8
137.02283	4.2
137.05946	6.0
137.13228	25.0
139.03879	3.6
145.04970	3.0
147.08110	3.6
147.11639	9.8
149.13264	23.0
151.03885	4.5
151.14806	11.5
153.12756	5.8
155.14279	9.6
157.10135	3.1
161.13138	3.9
163.03879	3.8
163.14804	12.4
165.07082	3.1
165.09122	5.2
167.06961	2.9
177.16388	9.1
178.31160	3.4
185.73129	3.3
189.13896	6.1
189.16367	3.1
203.17920	4.5
205.19434	4.5
217.19495	7.6
273.25775	12.0
279.26868	13.6
291.26688	31.8
300.25241	4.0
303.04950	15.1
309.27859	12.1
327.28946	4.2
346.25748	22.4
508.20648	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	507.3675
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.13031	1.7
53.03938	2.4
55.01858	4.0
55.05503	31.4
57.03428	8.4
57.07070	5.6
65.03931	3.8
67.05494	100.0
69.03423	1.9
69.07063	14.9
69.34745	1.6
70.76135	6.2
71.04989	3.8
71.08618	3.8
79.05486	30.4
79.05945	3.1
81.03434	2.3
81.07043	66.5
82.07369	1.9
83.04965	4.6
83.08605	19.4
85.06507	3.4
85.10191	1.9
86.06194	1.4
91.05473	23.6
93.07032	38.3
95.04948	5.4
95.08595	43.1
95.74464	1.7
97.06514	4.4
97.10154	17.1
105.07017	21.9
107.08583	28.3
109.06482	1.9
109.10141	57.5
111.08079	4.7
117.07018	7.9
119.08566	18.9
121.10115	17.2
123.08057	2.0
123.11662	9.4
125.09624	11.5
129.06982	2.7
131.08549	10.3
133.10109	14.5
135.11705	13.2
136.12465	1.8
137.09563	2.2
137.13242	4.0
139.11166	2.4
145.10118	11.3
147.11639	9.2
149.13234	8.8
157.10175	2.0
159.11624	9.1
161.13234	8.3
163.14766	2.8
171.10303	1.7
171.11685	3.7
172.24675	1.6
173.11725	19.4
173.13255	9.5
185.13252	2.2
187.14856	3.6
189.11189	10.7
195.00273	3.2
199.14883	2.8
227.12766	11.8
229.14336	31.3
241.19621	2.1
243.21066	5.3
259.20483	4.5
261.22119	25.2
263.23624	2.2
279.23230	2.5
317.24811	4.9
335.25769	20.6
379.30099	2.4
397.30954	10.5
415.32117	11.8
422.26447	1.9
433.32938	8.6
471.34811	3.5
489.35718	50.5
507.36493	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	507.3671
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03922	3.0
54.48761	1.3
55.01867	3.5
55.05500	28.1
56.13579	1.8
57.03425	9.9
57.07051	7.8
59.04984	1.9
59.11909	1.4
65.03925	3.6
67.05493	100.0
69.03421	2.2
69.07056	22.2
71.04990	4.0
71.08613	2.8
79.05481	33.6
81.07041	84.5
83.04961	4.2
83.08604	18.1
85.06525	3.5
91.04932	2.2
91.05465	25.4
93.07027	42.3
95.04935	5.5
95.08591	53.0
97.06514	5.9
97.10159	18.6
98.20687	4.2
99.08068	2.8
105.06997	19.4
107.08581	31.0
107.09261	3.4
109.06462	2.4
109.10133	58.6
111.08038	5.2
111.11763	2.3
117.06980	10.0
119.08553	23.7
121.10120	16.6
123.11688	10.9
125.09570	10.2
131.08557	12.0
133.10098	13.9
135.11671	16.8
137.09618	2.4
137.13222	4.1
139.11223	3.3
143.08577	3.8
145.10118	11.4
147.11661	9.8
149.09615	1.7
149.13208	12.3
153.09070	3.0
155.10695	2.6
157.10162	1.6
159.11632	11.0
161.13219	8.0
163.14767	4.5
171.11726	2.6
173.11699	16.9
173.13248	8.5
175.14758	4.6
185.13196	3.0
187.14824	3.9
189.11147	10.4
193.31450	1.9
194.58720	1.6
199.14813	2.3
201.16481	2.4
211.14806	2.3
227.12714	13.5
229.14304	33.9
231.15768	3.5
239.23750	2.0
241.19542	3.4
243.21040	5.4
245.22527	2.1
259.20496	5.7
261.22092	30.1
263.23688	3.5
270.42545	1.6
279.23071	2.4
317.24731	5.3
329.24295	2.0
333.24179	2.1
335.25757	24.0
379.29779	5.3
397.31000	12.8
405.88394	1.7
415.31931	10.5
433.32858	7.2
455.83234	2.2
471.34549	4.0
489.28616	3.0
489.35632	51.9
490.36221	2.7
507.36169	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	507.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68354	1.3
53.03936	2.2
55.01862	3.5
55.05503	28.1
57.03431	10.1
57.07063	6.1
58.95324	1.6
59.04990	2.2
60.01642	1.4
65.03925	3.8
66.61755	1.4
67.05496	100.0
69.03414	1.8
69.07056	19.5
71.04982	2.6
71.08614	3.1
79.05489	30.5
81.07044	64.5
83.04967	1.9
83.08605	14.1
85.06517	4.1
85.10203	1.5
91.05470	20.9
93.07031	38.6
95.04953	5.7
95.08595	43.5
95.64939	1.5
97.06524	4.6
97.10168	11.8
99.08058	2.0
105.07012	18.6
107.08582	26.4
109.06462	1.7
109.10138	58.7
111.08067	3.6
117.06982	7.8
119.08555	18.9
121.10126	17.1
123.11698	10.4
125.09624	9.3
129.06985	2.1
131.08563	13.1
133.10120	13.4
135.08015	2.3
135.11688	12.4
137.09619	1.9
137.13235	2.7
143.08513	3.4
145.10104	8.3
147.11703	11.1
149.09677	2.4
149.13248	9.1
153.54883	1.6
155.10678	2.5
157.10088	3.2
159.11682	9.0
161.13266	5.1
169.10204	1.5
171.11620	3.2
173.11714	12.5
173.13275	7.4
175.14833	2.2
176.11549	1.4
183.14230	1.6
185.13234	2.0
187.14732	4.5
189.11168	7.4
195.13792	1.7
227.12791	11.1
229.14310	32.5
243.21118	4.8
251.20134	1.6
259.20499	3.0
261.22095	26.1
263.23715	2.8
277.21774	1.7
279.23169	2.4
317.24631	1.9
333.24234	2.4
335.25772	20.4
379.29895	2.3
397.31036	9.8
415.32397	7.6
433.32944	3.9
471.34601	3.8
489.35715	31.9
489.42807	3.2
507.36066	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	507.3673
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03923	2.8
55.01857	4.0
55.05499	29.8
57.03411	6.8
57.07057	4.5
65.03929	4.9
65.48350	1.5
67.05494	100.0
69.07060	19.6
70.16219	3.8
70.16635	6.1
71.04966	3.6
79.05478	40.1
81.07042	66.1
83.04971	2.2
83.08601	13.6
85.06527	2.6
91.05465	21.2
93.07030	35.6
95.04950	2.3
95.08006	2.7
95.08591	50.6
97.06528	3.8
97.10152	16.3
99.08080	2.2
105.07008	19.1
107.08579	30.5
109.06515	3.1
109.10134	59.0
111.08056	3.2
117.07009	7.7
119.08553	14.4
121.10107	20.4
123.08125	1.9
123.11677	11.2
125.09607	13.3
129.06976	3.2
131.08545	14.3
133.10112	12.9
135.08076	2.0
135.11658	13.1
137.09572	3.2
137.13261	2.3
139.11130	2.2
141.75111	1.6
142.22020	1.6
143.08514	3.0
145.10098	10.8
147.11681	12.0
149.09608	1.8
149.13203	10.4
149.57666	1.9
155.10620	2.2
157.10098	4.3
159.11700	9.1
161.13225	5.5
162.03415	1.7
163.14845	5.0
171.11644	3.1
173.11694	13.0
173.13232	10.3
175.14778	2.6
177.12701	2.2
177.16339	2.2
185.13232	3.5
187.14789	4.7
189.11243	9.6
195.00272	1.9
197.13205	2.3
199.14850	2.8
223.16913	1.8
227.12744	15.4
229.14322	32.1
231.15753	2.1
243.21135	2.5
259.20459	3.2
261.14368	1.6
261.22079	25.7
289.21426	2.5
317.24799	2.8
333.24326	2.5
335.25720	24.2
379.29755	5.7
397.30811	10.4
401.15253	1.9
415.32031	11.3
433.33276	7.9
465.32550	1.7
471.34290	5.5
489.35693	52.5
507.36734	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05503	9.2
57.03439	1.3
57.07066	17.0
59.69380	0.7
65.03928	2.0
66.96651	0.8
67.05493	34.9
68.05832	0.8
69.07056	10.6
71.04985	1.0
71.08621	11.9
71.20430	0.7
71.69650	1.0
75.72829	0.8
79.05480	14.7
81.03424	1.6
81.07043	35.8
83.04967	1.4
83.08600	10.3
85.06505	1.2
85.10161	6.6
91.05454	8.5
92.05831	0.7
92.11350	0.8
93.07024	15.4
95.04951	2.2
95.08591	20.8
97.06513	2.2
97.10162	4.8
105.07018	4.8
107.08573	11.9
109.06481	0.9
109.10140	13.2
111.08071	1.7
117.07015	2.6
119.08575	3.3
121.10133	5.7
123.11655	4.5
125.09636	2.0
129.06955	0.9
131.08540	3.4
133.09239	1.1
133.10121	6.3
135.11650	5.0
137.09612	0.7
137.13228	1.6
145.10080	1.4
147.11684	2.0
149.13232	8.2
151.11215	0.7
153.31729	0.7
155.10760	0.8
157.10077	0.8
159.11636	3.8
161.13185	1.6
162.18118	0.7
163.14786	1.0
173.11755	2.9
173.13173	1.2
177.12791	2.3
189.11195	0.9
195.13789	4.4
213.14861	1.1
222.61133	0.7
227.12715	1.9
229.14389	4.4
239.23720	4.3
261.22174	3.5
335.25912	3.6
397.31375	1.0
415.31650	0.8
489.35629	5.5
507.27170	100.0
507.40286	41.8
508.27420	14.7
508.34613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05500	19.9
57.03418	4.9
57.07066	42.1
65.03899	2.4
67.05490	66.4
69.07058	22.4
69.45964	22.0
71.04983	3.8
71.08622	30.8
79.05478	25.5
81.03427	3.1
81.07040	79.5
83.04957	2.9
83.08611	24.0
85.06532	3.0
85.10178	12.2
91.05463	16.5
93.07024	42.5
95.04958	6.5
95.08588	47.5
97.06502	8.0
97.10149	11.9
98.20866	7.7
105.07056	4.6
107.08575	22.5
109.10145	20.9
111.08080	6.3
111.11707	2.8
117.07021	6.9
119.08591	4.5
121.10098	16.1
123.11704	6.4
131.08534	7.1
133.10129	5.7
135.11639	4.2
135.77827	2.0
137.13297	3.3
141.10281	1.9
147.11699	2.9
149.13231	31.0
159.11624	13.3
161.17107	1.8
173.11716	2.8
177.12766	8.6
195.13795	10.9
229.14374	4.0
235.43344	2.1
239.23605	12.6
261.22128	2.4
303.04871	2.5
335.25912	2.4
489.35886	5.7
507.40445	100.0
508.40967	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	507.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.05505	18.2
57.03430	2.7
57.07067	48.8
65.03925	3.1
66.49464	1.5
67.05498	59.7
69.07058	24.2
69.82939	11.8
71.04974	4.2
71.08250	2.2
71.08623	35.2
79.05480	26.4
81.07047	76.8
82.07387	2.2
83.04967	4.3
83.08600	25.8
85.06514	3.5
85.10168	20.8
91.05476	20.9
93.07027	38.3
95.04966	7.0
95.08593	40.6
97.06516	6.7
97.10163	8.8
98.20975	5.0
105.06995	6.3
107.08578	21.0
109.06500	3.4
109.10146	15.1
111.08055	6.0
111.11760	2.2
117.07011	5.8
121.10114	13.0
123.11758	10.4
131.08562	7.1
133.10114	11.4
135.11678	8.3
137.13242	2.4
141.09178	1.7
146.23141	1.5
149.13248	20.9
159.11662	10.9
177.12680	4.2
177.78728	2.0
195.13800	14.5
239.23714	11.1
293.43405	1.9
300.14642	1.7
507.40390	100.0
508.40311	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	508.1959
Annotation	Hygrocin B
Peak:m/z	Relative Intensity
53.03934	1.8
55.05495	1.7
57.02171	1.0
67.05491	2.5
69.03400	1.5
69.07066	1.1
70.06575	1.8
70.41574	3.9
71.04976	0.9
79.05479	2.7
80.04989	2.0
81.03387	3.2
81.07038	3.9
81.16352	0.8
83.04935	1.0
84.04498	1.9
85.02887	2.2
90.04272	0.8
91.01462	0.9
91.05476	8.8
93.07033	2.7
95.04930	1.0
95.08605	1.5
97.02898	1.1
97.10126	0.9
103.05420	2.1
104.10667	0.8
105.07026	5.3
107.04942	1.3
107.08562	2.8
109.02861	1.6
109.10130	1.6
111.08009	1.4
115.05444	1.2
117.06984	3.8
119.08546	2.2
120.08067	2.4
121.06505	1.6
121.10103	1.4
123.11654	1.3
129.06993	2.5
130.06476	4.6
131.08530	3.5
132.08060	1.7
133.10115	2.0
139.03824	1.2
141.06950	1.4
142.07742	1.3
143.07408	0.8
143.08525	4.0
144.81436	0.8
145.10086	1.4
146.36531	0.9
154.07753	1.2
155.08479	1.4
156.08066	3.2
157.10085	5.6
158.09550	1.2
159.08072	3.0
159.11635	2.5
161.09616	2.3
165.07001	2.4
165.09116	1.7
167.07285	15.1
167.08571	7.9
168.08069	1.4
169.10081	2.9
170.07321	1.1
170.09525	0.9
176.07089	1.1
177.09087	0.8
180.08049	14.8
181.08606	1.2
181.10121	1.5
182.09628	27.4
183.08051	1.0
184.07607	4.8
185.09601	6.4
186.09145	1.6
187.11169	1.8
193.10040	0.9
195.11678	1.8
196.07614	3.3
197.13164	0.9
198.09122	3.5
199.33559	0.8
203.10654	2.1
205.10146	1.4
208.07591	1.3
210.09093	58.8
211.09639	2.9
212.10722	3.8
213.09148	2.0
228.10135	2.0
231.10130	2.2
238.12334	1.3
249.11244	1.3
256.09644	6.0
288.13638	1.2
342.18433	2.6
352.16858	3.1
354.18671	1.5
356.12048	0.9
370.17963	4.5
388.19107	4.5
398.17453	6.1
416.18472	21.5
417.18393	1.1
434.19614	19.6
444.17923	2.2
462.19040	51.5
463.19366	2.9
480.20148	7.4
508.19638	100.0
509.20084	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	508.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01857	2.3
55.05507	2.5
57.03438	1.8
58.99569	7.9
60.04521	6.8
61.02906	1.3
67.05496	4.5
69.03415	6.4
69.07059	2.5
70.06571	4.9
71.04967	1.9
71.19869	3.2
73.02913	1.4
76.02211	15.8
79.05482	3.1
80.05012	1.2
81.03403	4.7
81.07037	9.8
83.04968	3.8
84.04486	1.5
84.08153	1.3
85.02883	16.5
86.09698	1.8
86.99026	4.3
87.00812	5.1
88.02163	1.4
91.05476	3.3
92.23859	1.2
93.07024	4.6
94.06528	1.4
95.04942	2.1
95.08582	9.9
97.02876	7.1
97.06490	2.7
99.04449	2.6
100.02184	3.6
105.00072	10.6
105.01844	4.7
105.07022	9.7
107.04926	1.6
107.08539	7.0
109.02862	5.3
109.06508	3.0
109.10160	4.0
111.08053	1.4
119.08563	11.2
121.06496	2.5
121.10111	6.5
122.02703	100.0
123.04420	1.8
123.08044	8.7
123.11691	1.4
125.05921	1.4
125.09650	2.4
127.03889	9.1
131.08534	2.0
132.01147	1.3
133.06371	1.3
133.10121	3.3
134.02722	1.4
135.08037	8.3
135.11667	2.3
137.05994	1.3
137.09596	2.7
137.13229	9.0
139.03836	1.5
143.08569	1.3
145.05000	1.3
145.10056	2.1
146.02670	2.7
147.08072	2.0
147.11684	6.5
149.09601	8.6
151.07500	8.6
153.09119	1.4
159.11659	1.2
161.09529	1.3
161.13248	13.1
163.03868	1.1
163.11133	2.4
164.03700	1.7
165.09052	1.4
165.12755	4.5
167.10640	2.8
171.11647	2.0
177.12769	2.4
179.14273	6.1
183.02852	1.2
189.12701	11.0
195.13872	1.1
200.03656	1.3
207.13762	43.0
224.91452	1.4
225.14798	26.0
243.15895	1.6
248.05936	1.2
284.07785	2.4
285.07462	2.2
328.15845	3.9
328.25018	2.2
329.11215	1.9
346.16785	40.1
346.25653	7.3
446.06238	1.3
490.29947	2.0
508.23911	1.3
508.31119	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	508.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
55.01854	5.8
55.05491	6.7
57.03416	5.6
57.07069	2.8
60.04502	5.6
61.02907	5.6
67.05489	4.1
68.99757	2.6
69.03420	29.5
69.07066	3.6
70.06576	4.8
71.04974	6.0
71.69537	1.9
71.69936	2.4
73.02908	4.7
78.78455	2.2
79.05478	4.8
81.03401	23.4
81.07040	10.1
83.04986	3.4
85.02889	59.2
85.06515	2.5
87.00818	28.3
91.05468	7.7
93.07024	9.6
95.04958	6.4
95.08572	11.1
97.02308	3.3
97.02880	29.6
97.06489	12.8
99.04444	12.2
105.01842	28.5
105.07025	17.1
107.04927	3.9
107.08573	13.1
108.08099	1.9
109.02848	25.5
109.06496	4.6
109.10148	5.7
111.08051	1.9
119.08555	20.1
121.06463	6.7
121.10096	9.9
122.02740	3.1
123.08047	10.2
123.11755	2.6
125.09586	3.0
127.03892	41.2
131.08530	8.2
133.10114	7.5
135.08025	51.2
135.11691	3.0
137.09593	7.7
138.05421	1.9
143.08522	4.6
145.04941	11.5
145.10112	5.7
147.08064	5.8
147.11664	20.4
149.09607	16.1
151.07542	2.2
154.08632	3.7
159.02902	7.0
159.11687	2.6
161.09610	5.6
161.13269	15.2
163.11179	3.5
165.09129	4.7
165.12675	4.8
167.10620	3.4
171.11664	4.5
177.12709	14.8
179.14319	3.6
180.36882	2.4
189.12715	18.8
195.13785	4.0
207.11862	3.8
207.13757	52.3
207.15617	2.9
213.03934	7.8
225.14815	100.0
231.05067	10.2
243.15871	9.0
302.09991	2.4
328.24695	6.1
346.25888	13.4
347.12207	3.1
437.18231	4.0
455.18817	5.8
473.20328	2.5
484.52661	2.0
508.30844	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	508.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
57.07053	1.0
60.07851	0.9
60.08155	16.1
67.05476	3.5
69.07054	2.8
71.07365	5.8
79.05470	0.8
79.14958	0.7
81.07029	2.0
83.08591	1.8
86.09691	50.7
89.62975	0.8
93.07015	2.0
95.08578	3.0
97.10141	1.7
98.98441	3.7
104.10727	95.3
107.08582	1.4
109.10103	1.1
121.10131	0.8
124.99980	26.3
135.75887	0.8
136.05267	0.8
136.76387	0.7
141.57484	0.8
149.03613	0.8
184.07317	100.0
193.45676	0.7
258.10983	1.2
325.27225	0.9
490.32681	8.0
508.33832	24.1
508.40939	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	508.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05017	0.6
57.03436	0.2
58.06628	0.5
60.08152	7.2
67.05484	0.5
67.16172	0.1
69.07052	0.6
70.06603	0.1
71.00686	0.4
71.07362	3.1
76.74364	0.1
78.49760	0.1
79.05480	0.3
81.07026	0.4
83.08602	0.4
86.09689	33.9
93.07002	0.2
95.08581	0.5
97.06516	0.2
97.10166	0.2
98.98449	3.4
104.10715	3.1
107.08573	0.2
109.10168	0.2
110.52532	0.1
119.76615	0.1
121.10101	0.2
124.99979	24.3
125.38303	0.1
143.01036	0.4
164.90381	0.1
184.07306	100.0
185.07674	0.5
219.92349	0.2
258.10898	0.2
273.07889	0.1
312.34622	0.1
325.27313	0.2
371.69852	0.2
490.32779	0.9
508.33823	1.2
508.40472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
55.05487	0.6
59.06108	0.7
60.04506	0.5
61.44897	0.5
63.90230	0.4
65.03920	0.4
67.05471	0.5
69.03400	1.5
69.07015	0.5
69.76948	0.4
70.06564	1.5
71.68920	0.5
72.08158	2.4
72.08482	0.5
75.05579	1.0
80.04980	0.4
81.03403	0.8
81.06995	0.5
82.88441	0.4
83.04942	0.5
84.04482	0.7
84.08104	0.6
85.02903	2.2
86.09665	1.4
91.05456	1.1
94.06530	0.6
95.04985	0.4
95.08668	0.4
97.02856	1.4
99.04395	0.5
108.04505	0.5
109.02856	0.9
109.06488	0.5
110.05977	0.4
117.06589	4.3
117.10184	0.6
119.04902	0.9
119.08533	0.5
124.03914	0.9
127.03876	0.8
128.71075	0.5
134.05962	0.6
135.08095	0.5
136.07550	3.5
140.06981	0.6
145.04898	0.7
145.37491	0.4
146.06033	0.5
160.03914	1.2
165.57004	0.4
176.07043	1.2
178.04955	2.3
185.18129	0.4
187.05006	1.2
199.08585	2.3
201.06596	2.2
201.10271	0.8
208.14212	0.5
211.08635	0.8
213.06532	3.0
213.10173	2.4
219.07555	0.8
223.08629	0.8
227.08116	4.5
227.11726	1.2
229.09698	2.8
231.07623	2.0
235.14293	0.8
237.10207	1.9
238.08615	1.2
239.08124	0.9
239.11768	0.8
241.09555	3.4
243.07802	0.5
243.11003	0.7
245.09142	0.8
250.07431	0.6
255.07617	5.6
255.11252	4.1
257.09286	2.0
257.12738	1.1
259.07034	0.5
259.10724	1.0
265.09656	2.6
267.07654	1.7
269.09167	5.5
273.08658	4.0
273.11642	0.7
274.09540	0.6
275.13712	0.7
283.10712	12.2
286.04584	0.5
287.10193	2.4
293.09161	3.6
301.11746	3.5
311.10208	28.6
319.12753	1.1
329.11252	41.8
330.11566	1.0
347.12299	100.0
348.12680	2.2
355.10263	0.4
509.17822	0.7
509.31467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46276	0.1
51.82450	0.2
52.20176	0.1
55.05502	0.2
57.07050	0.3
65.03892	0.1
67.05466	0.2
68.05016	0.2
69.03407	0.3
69.07059	0.7
69.63067	0.2
70.06575	0.3
71.08605	0.3
71.67979	0.3
72.04493	0.9
72.08134	0.3
79.05455	0.2
83.04978	0.7
83.06060	0.3
84.08123	1.3
85.02883	0.4
86.09687	0.3
89.03903	0.3
91.05446	0.2
93.03341	0.2
95.04939	0.3
96.08118	0.4
97.02876	0.3
97.06491	0.3
99.05558	0.2
105.01876	0.2
107.04926	0.3
109.02829	0.3
110.09632	0.2
111.04393	0.6
111.05521	0.7
112.06328	2.8
113.07102	0.6
114.09144	0.4
117.03329	0.5
119.08568	0.1
123.04378	0.3
127.03847	0.2
129.05490	0.2
134.14484	0.2
135.04387	1.5
137.05991	0.3
139.03870	0.5
145.02841	1.1
145.72511	0.2
155.11760	100.0
156.12170	0.8
163.03877	8.4
164.07034	0.2
165.05438	0.2
207.13754	0.2
208.14058	0.2
225.14726	0.2
226.15219	0.2
241.73331	0.2
261.12369	0.2
265.48776	0.2
317.14853	1.1
337.09085	0.3
347.07336	0.3
422.72513	0.2
509.21475	3.0
509.30060	0.3
509.31210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.9
54.20196	1.8
55.01857	13.9
55.05503	11.4
57.03415	8.7
57.07048	4.5
58.82345	2.3
61.02902	7.4
65.03914	2.1
67.05493	21.3
68.99779	6.0
69.03418	57.4
69.07040	15.1
70.06579	2.2
71.04984	10.6
71.69602	2.2
71.70030	3.2
73.02895	12.0
79.05489	13.6
81.02941	3.6
81.03403	60.1
81.07038	31.2
83.04965	4.9
83.08601	10.0
85.02894	100.0
85.06534	11.9
87.00812	36.0
87.04454	3.6
91.03944	3.0
91.05460	14.0
93.07028	29.0
94.61803	2.0
95.04929	8.5
95.08591	31.4
97.02883	37.2
97.06537	2.4
97.10130	4.7
99.04427	21.6
101.02350	2.8
103.03930	2.4
105.01858	30.5
105.07020	28.3
107.04977	5.1
107.08584	32.8
109.02167	3.6
109.02861	47.6
109.06487	7.3
109.10134	19.0
111.04448	3.6
113.09625	5.4
115.03908	5.0
117.01801	5.4
117.07012	9.0
119.08561	43.6
121.06467	4.5
121.10125	23.5
123.08038	2.8
123.11691	14.1
125.09579	4.4
127.03900	87.3
129.01811	9.5
129.06979	6.0
130.07735	2.7
131.08553	22.1
133.10121	44.6
135.08017	3.5
135.11676	24.6
137.06065	5.1
137.09601	3.1
139.03804	2.5
143.08525	9.4
145.04945	27.8
145.10101	35.8
147.02866	6.3
147.07982	2.7
147.11688	19.2
149.09607	3.0
149.13229	5.9
151.07530	2.5
155.08397	2.3
157.06473	2.8
157.10092	11.3
158.10892	3.6
159.02859	32.4
159.07980	3.8
159.11671	32.9
161.13177	10.8
163.11153	2.7
163.14885	4.5
165.09126	2.8
167.07018	3.0
169.10114	4.6
170.10770	3.5
171.11652	10.2
173.13225	35.3
175.14807	29.4
177.09013	3.5
183.11707	4.0
185.09686	2.6
185.13196	9.3
187.11180	3.5
187.14786	27.9
199.14743	6.4
201.16374	29.2
203.10542	3.8
203.17953	12.9
205.15787	2.7
210.14592	2.5
213.03928	2.5
213.16405	3.9
215.17841	4.2
217.08569	14.4
231.04961	12.8
233.24164	2.3
241.19429	3.9
243.21075	41.5
255.20973	3.6
259.20517	6.8
261.22104	19.7
303.23187	4.3
351.23022	4.1
369.24014	3.2
406.07742	2.3
435.08380	7.7
441.44275	2.4
449.09970	4.4
451.22980	2.6
463.08054	14.0
473.24719	2.8
478.10489	22.4
491.26389	7.7
509.11948	5.8
509.27139	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	509.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71453	1.9
53.03934	14.8
55.01861	10.2
55.05504	15.5
56.61598	1.8
57.03419	7.7
57.07053	5.4
60.74755	2.0
61.02907	7.4
65.03931	3.0
67.05486	21.3
68.99778	4.9
69.03418	60.1
69.07056	14.5
69.96941	4.7
69.97359	9.0
70.06560	3.4
71.04967	9.8
73.02894	14.4
77.34088	1.8
79.05459	13.5
81.02951	3.4
81.03403	56.2
81.07034	33.3
83.01304	2.6
83.04940	4.5
83.08593	9.7
85.02890	100.0
85.06523	16.6
86.09689	2.3
87.00809	42.2
87.04447	2.1
91.05461	19.8
93.07015	25.1
95.04926	7.2
95.08588	30.9
97.02868	38.4
97.06513	2.8
97.10151	4.0
99.04440	20.2
102.24636	2.0
105.01847	25.1
105.07013	30.0
107.04935	6.8
107.08577	25.3
109.02853	51.6
109.06530	4.6
109.10144	18.4
111.04420	3.9
111.08082	2.2
112.97642	2.1
113.09649	2.9
115.03922	3.7
117.01863	4.6
117.06994	8.3
119.08554	34.0
121.06480	8.1
121.10130	21.8
123.08091	3.5
123.11675	12.2
125.05972	3.1
125.09622	4.4
127.03890	81.4
128.06197	4.7
129.01826	6.1
129.06958	6.3
131.08533	24.0
133.10109	39.2
135.08047	5.4
135.11700	20.5
137.05930	6.1
137.13177	2.7
142.07732	3.6
143.08466	6.3
144.09261	3.7
145.04924	21.7
145.06400	3.3
145.10106	32.1
147.02844	5.9
147.11667	13.7
149.09566	4.3
149.13219	7.0
151.07529	5.2
151.43907	2.1
155.08510	3.5
156.09297	4.7
157.10089	10.9
158.10655	5.2
159.02873	30.4
159.07993	3.1
159.11658	34.2
161.09508	3.4
161.13213	9.3
163.11140	6.2
165.09085	4.2
167.08539	5.3
168.08820	2.7
169.10042	2.4
170.10860	2.4
171.11662	7.5
172.12366	2.8
173.09520	3.8
173.13243	27.5
174.13818	2.5
175.14789	22.9
177.09047	3.0
177.16405	2.4
183.11626	3.6
185.13237	8.3
187.11041	2.3
187.14781	22.6
189.09102	3.9
191.14349	3.1
191.18019	2.3
196.40924	2.5
197.13246	4.2
199.14673	4.0
201.16342	30.9
203.10741	3.8
203.17938	12.9
211.14813	3.6
213.03745	3.2
213.16373	3.0
215.17834	3.0
217.08517	2.6
223.09593	3.9
227.18037	2.3
231.04965	12.2
231.13792	2.4
233.19200	2.2
241.19566	5.6
243.21048	42.1
245.11623	8.9
255.21356	2.8
259.20441	8.5
261.22189	16.6
271.20441	3.0
273.22107	4.0
285.22086	4.8
301.17953	2.8
303.23160	4.2
335.43515	2.4
351.23114	3.2
356.72775	2.4
391.21332	2.5
463.19318	18.1
473.28943	6.6
491.26312	4.6
509.19736	12.9
509.27225	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	510.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.1
55.01856	7.6
55.05503	5.3
56.05039	2.3
57.03419	3.0
60.73635	2.0
61.02906	5.2
67.05484	9.8
68.99788	3.4
69.03416	20.4
69.07036	7.2
70.03744	5.1
70.06573	2.6
71.04984	3.2
73.02888	3.3
78.65160	2.0
79.05477	6.1
81.03404	22.1
81.07039	15.2
82.03716	2.5
83.08584	4.6
84.08118	4.4
85.02891	39.2
85.06540	5.7
86.03237	3.1
87.00817	14.9
91.05453	17.0
93.07039	22.5
95.04940	7.2
95.08607	10.5
96.08976	2.7
97.02876	12.6
97.06525	2.3
98.03225	2.4
99.04430	9.2
99.53732	2.3
100.04776	3.0
100.11237	5.0
103.05440	10.5
105.01839	8.1
105.07006	8.6
106.07347	2.7
107.04929	13.6
107.08568	5.8
109.02862	18.7
109.06490	4.0
109.10123	5.9
110.03183	3.7
111.04449	3.4
116.61585	2.2
119.08567	10.9
120.08891	3.8
121.06484	76.4
121.10140	11.1
123.04417	2.8
123.08048	6.0
123.11672	4.9
125.09622	2.4
127.03899	27.9
128.04214	5.8
131.08537	6.8
133.06482	2.4
133.10056	8.8
134.10429	5.3
135.11678	2.6
136.05151	3.1
136.11995	3.3
137.05951	36.4
145.04944	11.0
145.10092	8.5
146.10432	4.3
147.02821	3.4
147.11652	4.6
149.09645	2.3
151.07516	44.4
152.07001	3.3
157.10118	2.5
159.02907	14.2
159.08087	3.2
159.11650	7.4
160.12042	4.6
161.05914	5.5
165.09105	4.5
171.11711	2.6
173.13222	6.6
174.13605	4.9
175.07489	3.9
175.14729	2.9
176.15060	2.8
186.13525	2.8
187.14867	3.4
188.15089	3.3
201.16354	2.4
202.16704	4.3
219.01434	2.1
231.04982	6.5
243.21024	4.3
244.21391	8.6
245.11690	100.0
246.12091	3.1
262.22406	4.3
269.08923	3.5
269.11658	29.0
287.12747	7.7
311.12695	8.5
335.12836	4.3
353.13791	7.6
359.12616	2.7
371.08603	3.4
392.15308	2.6
464.19516	5.3
478.16061	3.8
482.19525	2.6
510.19345	8.5
510.27127	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	510.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.5
55.01850	11.8
55.05502	8.2
57.03421	8.4
61.02910	7.3
67.05481	9.3
68.99780	6.6
69.03424	32.9
69.07066	5.9
70.06580	14.8
71.04969	7.8
71.69398	4.3
73.02895	9.5
79.05466	8.9
81.03408	27.9
81.07050	13.5
84.08144	6.2
85.02895	100.0
87.00819	30.2
91.05450	16.5
93.07030	20.5
95.04951	8.6
95.08599	10.7
97.02867	33.2
97.06548	4.2
99.04442	16.6
103.05452	6.7
105.01838	23.2
105.07009	9.7
107.04935	9.7
107.07343	5.5
107.08577	8.1
109.02859	31.0
109.10142	5.1
117.01915	4.2
119.08601	6.2
121.06494	70.5
121.10167	5.9
122.09659	8.3
123.08033	9.4
123.11758	3.9
127.03889	55.9
129.01813	9.5
131.04872	4.1
133.06442	4.5
133.10104	4.2
135.06743	3.3
137.05928	20.7
142.12234	4.8
145.04948	26.7
145.06514	6.2
146.02887	3.3
147.02824	5.0
147.11646	3.9
150.09142	29.6
151.07506	26.7
159.02888	23.8
161.05937	21.8
165.09087	12.1
175.07539	16.0
189.03955	7.9
201.14828	9.6
203.07022	4.4
215.74649	3.5
231.04970	11.7
236.59914	4.1
245.11690	48.8
255.09984	3.6
269.11688	92.2
279.10046	4.6
287.12692	26.4
301.11502	4.1
307.13104	3.7
311.12738	29.0
324.21518	6.8
329.11386	4.8
335.12778	15.9
348.27502	5.6
353.13922	25.6
361.13913	12.4
443.30508	3.9
478.41394	3.8
510.12723	4.6
510.20123	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	510.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17765	1.5
53.00297	1.6
53.03931	2.1
53.54839	1.3
55.01849	4.8
55.05497	2.5
57.03420	6.0
59.04984	13.5
60.04512	5.1
61.02912	8.8
61.86689	1.5
62.16412	1.4
67.05493	8.2
69.03419	24.8
69.07053	3.7
69.46449	15.4
70.06589	4.1
71.04976	16.9
71.48875	1.6
73.02896	2.6
79.05468	6.9
81.03407	10.6
81.07043	36.5
83.04975	2.9
84.04499	1.6
85.02892	89.4
87.04436	2.0
87.98853	1.6
91.03941	3.1
91.05453	7.3
92.18768	1.6
93.07018	17.2
95.04926	6.2
95.08578	5.9
97.02872	27.4
99.04442	4.2
101.82719	1.5
105.07021	8.2
107.04969	1.5
107.08575	18.3
109.02875	11.5
109.06499	11.7
109.10136	23.0
111.08070	11.2
111.15646	1.5
119.08592	1.7
121.06443	1.8
121.10114	3.6
123.08039	3.0
123.11691	43.2
124.03905	4.9
127.03900	21.5
132.06529	1.7
133.10120	15.6
135.11591	2.7
137.09544	2.1
143.10640	3.0
145.04939	25.2
149.09650	2.2
151.11154	100.0
153.12675	3.0
161.13278	1.8
163.06032	11.6
165.09152	2.5
166.51402	1.6
169.12224	33.4
189.82700	1.7
295.15332	4.3
313.16409	9.2
325.11221	7.3
325.51038	1.8
326.06274	2.5
331.17368	9.8
348.27362	4.0
510.32532	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	510.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	1.6
55.01822	1.9
55.05453	6.1
56.05017	2.8
57.03381	2.5
57.07025	1.5
58.06547	0.6
60.04516	20.9
60.04794	1.3
61.02911	3.4
65.03925	0.9
67.05499	6.6
68.05017	3.9
69.03419	13.8
69.07056	5.8
70.06580	3.7
71.01333	0.7
71.04928	1.7
71.08593	0.6
71.22448	1.3
71.22791	0.9
72.04496	4.5
72.08068	0.9
73.02895	2.7
74.06010	1.9
77.95734	0.5
79.05486	3.5
80.05006	13.4
81.03403	5.1
81.07046	9.9
82.06579	3.1
83.01244	0.6
83.04921	1.3
83.08604	4.0
84.04494	3.0
84.08113	1.0
85.02886	30.4
86.06036	1.2
86.09631	0.8
87.04411	1.8
90.05513	0.8
91.03901	1.3
91.05412	1.8
93.07033	4.9
94.06548	8.5
95.04908	2.2
95.08028	0.7
95.08578	7.9
96.04469	4.3
96.08054	1.7
97.02874	9.9
97.10107	2.0
98.05978	2.2
99.04394	2.4
100.07542	2.3
101.02274	0.8
102.05478	0.9
105.01808	0.8
105.06923	1.7
106.02870	0.6
106.06473	2.0
107.08564	3.5
108.08040	0.7
109.02860	4.0
109.06492	1.1
109.10125	4.1
110.06012	7.7
110.09599	0.9
112.07537	1.9
114.05465	2.1
115.03899	0.6
116.06993	0.7
119.08488	1.3
120.08039	1.8
121.10148	3.2
122.05952	1.7
122.09647	0.6
123.08010	0.6
123.11646	1.7
124.03869	2.0
124.07561	0.6
125.05843	0.8
126.05444	0.7
127.03053	0.6
127.03883	6.9
127.07469	1.8
128.07011	1.2
131.08455	0.7
132.06538	17.9
133.10028	1.9
134.09535	1.3
135.08081	0.7
135.11606	2.4
136.07523	0.7
137.09554	2.8
138.09070	0.7
140.06979	1.7
145.04852	1.9
147.11584	0.9
151.03775	0.8
158.08044	1.3
163.03751	0.6
163.14893	0.6
165.09073	1.6
167.14262	0.6
173.13223	1.0
191.14368	0.9
208.20505	1.2
209.15349	4.0
210.22258	0.8
224.23650	0.7
227.16302	1.0
234.22075	1.3
246.22150	7.1
248.23595	1.2
249.60362	0.6
252.23183	22.0
258.22073	1.2
264.23264	3.5
266.24649	2.5
270.24240	7.0
276.23151	8.6
279.11163	1.8
294.24197	16.0
312.25278	32.6
313.12747	1.6
313.25281	0.7
317.06381	1.6
330.26331	27.4
332.04932	0.7
333.05481	1.3
347.07513	1.4
348.07898	3.8
348.27374	100.0
349.05557	1.1
349.27646	2.3
369.14438	1.3
370.14691	0.8
372.27304	1.2
390.28619	3.6
398.11560	0.6
474.30453	2.1
492.31625	5.1
510.32663	88.3
511.33041	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	510.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01855	1.4
55.05508	4.5
56.05028	1.8
57.03420	3.1
58.02939	1.0
60.04514	27.8
61.02917	4.0
65.03920	1.1
67.05492	9.1
68.04993	1.4
69.03410	12.6
69.07061	3.3
69.75318	4.5
69.75731	1.5
70.06572	3.1
71.04968	2.3
72.04494	3.2
72.08130	0.9
73.02891	2.4
73.23867	0.9
74.06072	0.9
79.05479	3.7
80.04999	7.4
81.03405	5.3
81.07047	8.2
83.08601	1.3
84.04482	2.2
84.08096	1.8
85.02888	23.4
86.06036	1.5
86.09692	4.0
87.04446	2.3
90.05535	1.6
91.03949	1.7
91.05474	4.0
91.68920	0.8
93.07025	5.7
94.06535	7.7
95.08592	7.2
96.04459	1.2
97.02881	9.2
97.10178	1.3
98.06050	1.5
98.21345	1.9
99.04436	2.1
102.05563	1.0
103.03989	0.9
105.06989	1.2
106.06566	0.8
107.08588	2.6
108.08137	1.2
109.02843	4.3
109.10120	4.6
110.06019	2.8
116.07068	1.9
117.06995	0.8
119.08515	1.4
120.08067	1.9
121.10095	1.8
123.08046	1.0
123.11644	1.1
124.07574	1.1
127.03896	5.7
132.06523	7.5
133.10095	1.1
134.09650	2.1
135.11697	1.0
137.05939	0.9
142.08565	1.7
143.08661	0.8
145.04915	2.2
152.07028	1.2
158.08188	1.0
167.06888	0.9
177.05469	0.9
181.08525	0.8
186.24977	0.9
206.08141	0.9
208.20558	2.4
209.08188	1.0
217.07208	0.8
226.21571	1.4
231.94611	0.9
232.15504	1.1
246.22124	2.2
248.23761	0.9
258.22040	1.8
264.23312	1.0
276.23145	6.4
284.11249	1.2
294.24207	14.5
295.24698	0.9
311.10211	1.3
311.74860	0.9
312.25250	36.1
313.25607	1.2
319.13910	0.9
330.11761	1.3
330.26324	42.0
331.26569	1.3
348.12640	3.6
348.27365	98.3
349.27734	3.0
376.97409	1.0
390.28369	1.9
474.30435	2.1
492.31638	3.3
510.32654	100.0
511.20700	0.9
511.33398	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	510.3536
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.93160	0.5
53.04464	0.5
53.06409	0.5
55.05502	1.1
56.05030	1.1
57.03421	0.8
57.07067	4.8
58.06588	1.5
60.07845	0.9
60.08154	17.1
67.05492	1.8
69.07056	1.0
71.07362	6.7
71.08620	2.9
71.30762	0.5
78.34646	0.5
78.36667	0.5
79.05510	0.6
81.07049	1.7
83.08607	1.0
85.10168	1.9
86.09692	51.8
87.09985	0.5
93.07011	0.6
95.08583	2.2
97.10164	0.7
98.21471	1.3
98.98465	4.2
104.10725	98.3
105.07015	0.6
105.11108	0.5
107.08573	0.8
109.10162	1.2
113.83277	0.4
123.11728	0.6
124.99979	27.6
134.82037	0.5
143.00967	0.5
155.08455	0.5
157.10162	0.7
163.01488	0.9
183.11595	0.7
184.07312	100.0
198.06712	0.9
199.07043	0.9
237.05295	0.8
239.06870	0.6
239.23749	0.6
253.15347	0.6
258.10983	1.1
269.08151	2.6
270.08429	2.2
290.46140	0.5
313.27347	3.2
327.28854	1.9
436.32739	0.8
488.78946	0.5
492.34436	9.5
492.41135	0.5
510.35516	28.4
511.35638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05506	2.6
56.05020	1.5
57.03427	0.9
57.07051	1.6
58.06586	0.6
65.03906	0.4
66.07420	0.4
67.05181	0.5
67.05499	5.8
67.44660	0.3
68.05008	0.7
69.07067	3.0
70.02938	0.6
70.06577	0.5
70.83246	0.8
71.04977	0.5
71.08609	0.7
72.04500	2.1
79.05485	3.1
80.05022	0.5
81.03412	0.4
81.07043	6.1
82.06568	1.3
83.04076	0.4
83.04955	0.8
83.08608	1.2
84.04480	0.8
84.08132	0.9
85.02915	0.8
86.06049	2.0
91.05460	1.6
92.83385	0.4
93.07036	3.4
95.08588	9.7
96.04499	0.7
96.08105	1.1
97.10165	0.9
98.09666	1.5
105.07018	1.4
107.08580	3.6
108.08092	3.6
109.06476	0.6
109.10149	4.5
110.09660	1.9
112.03963	0.6
112.07610	1.0
119.08569	1.3
121.08871	0.5
121.10143	0.8
122.06023	0.6
122.09658	1.9
123.08032	0.5
123.11688	0.9
124.07598	0.4
124.11224	0.9
126.09174	0.4
126.12775	0.8
133.10126	0.6
134.09663	0.7
135.11674	2.4
136.11153	0.6
137.13289	0.6
138.09138	0.8
140.07042	0.6
140.10669	0.7
148.11165	0.7
149.08371	0.7
149.13235	0.5
150.09132	0.7
150.12781	3.0
151.14812	1.4
152.10718	0.8
152.14326	22.2
153.12695	0.6
154.15887	1.7
161.13235	1.3
164.10728	1.1
164.14340	0.9
166.15958	2.8
168.13869	0.4
176.14351	0.6
178.12247	0.5
178.15927	0.8
179.14359	0.4
179.27133	0.3
180.17526	1.0
189.51712	0.3
192.13818	2.9
194.15384	29.3
195.15852	0.4
196.16940	5.4
198.18375	0.6
206.15381	0.8
208.17000	0.9
210.18483	1.3
211.06184	0.4
218.15419	2.0
222.18483	1.1
236.16376	3.9
238.17976	4.6
240.19749	0.8
250.18112	0.5
251.23889	0.5
262.18063	0.8
268.26331	0.9
280.19049	0.4
296.25842	0.7
303.08429	0.4
395.95587	0.4
402.37341	1.6
404.39063	0.4
420.38397	0.5
430.36832	2.1
438.39371	1.6
448.37817	11.4
450.39401	1.1
466.38840	14.6
482.41922	0.8
492.40454	3.3
510.41486	100.0
511.41852	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2106
Annotation	7-Hydroxy-5-methoxyflavan-(4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
57.03376	0.5
64.34352	0.4
67.05453	1.2
69.07004	0.9
71.68887	0.6
71.69289	0.5
77.74416	0.5
79.05437	1.3
81.06996	1.5
83.08559	0.6
83.71810	0.5
91.05431	0.9
93.07018	0.5
95.08543	1.2
97.02827	0.7
98.20950	0.5
105.07008	0.9
107.08573	0.7
109.10107	0.6
129.06940	0.5
131.08563	0.5
133.10056	0.6
135.11656	0.5
143.08540	0.6
145.10182	0.6
152.06152	1.5
153.06941	0.8
165.06929	2.1
166.07555	0.6
167.08556	0.5
169.06482	1.2
171.08035	0.8
180.05684	1.3
181.06514	2.4
182.07132	0.7
183.07945	1.1
184.08784	3.4
185.09540	0.6
189.04349	0.5
195.08018	13.7
196.08818	6.5
197.05931	3.4
197.09517	1.2
198.06734	0.5
199.07477	0.5
199.11063	1.0
210.06554	0.8
211.07475	1.8
212.08273	14.2
213.09026	3.7
223.07516	0.6
224.08141	0.8
225.09018	1.3
226.09860	0.8
227.10609	4.0
239.07088	1.2
240.07658	1.9
241.08585	5.1
242.09015	0.6
254.08965	0.5
255.10112	100.0
256.10849	12.8
257.11111	0.9
360.44916	0.5
400.73022	0.5
465.16217	0.5
466.38687	1.0
496.18649	1.4
510.41586	1.6
511.20728	15.3
511.42499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01922	1.4
53.03924	4.1
55.01854	7.3
55.05499	9.0
56.30974	1.2
57.03429	8.4
57.07069	2.9
61.02613	1.6
61.02916	26.2
65.03944	1.3
66.10594	1.0
67.05496	19.1
68.17416	1.0
69.03419	14.4
69.07059	11.2
69.46848	1.7
69.47256	10.1
71.01352	2.6
71.04979	3.7
71.13575	1.3
71.91814	1.2
73.02898	10.7
79.05482	18.4
81.03400	12.3
81.06606	2.1
81.07047	28.8
83.04964	9.9
83.08579	4.4
85.02895	20.9
85.06496	1.4
91.03935	12.5
91.05459	20.2
93.07033	21.7
95.04955	9.5
95.08594	17.9
97.02872	19.3
97.06509	4.5
97.10146	2.4
99.04440	3.5
101.02357	4.1
103.03922	2.0
105.07008	22.6
107.04923	7.9
107.08564	15.2
109.02853	7.5
109.06487	7.4
109.10125	7.0
111.04369	1.4
111.08047	2.4
117.05507	1.4
117.07015	7.4
119.08559	12.2
121.06474	9.1
121.10098	9.2
123.08031	5.5
123.11673	1.6
125.09568	1.2
127.03904	13.9
129.05449	1.5
129.06972	3.7
131.08530	16.0
133.06462	3.0
133.10104	15.3
135.08017	4.2
135.11684	5.4
137.05948	1.2
137.09578	2.8
141.06929	1.5
143.08504	1.6
145.04916	2.4
145.06505	1.9
145.10091	11.8
147.08006	4.2
147.11649	10.4
149.09537	6.0
149.13225	2.5
151.11180	6.8
157.10098	4.6
159.08040	3.6
159.11688	7.7
161.09592	3.7
161.13251	3.1
163.11165	4.4
165.12744	1.6
169.09995	1.8
171.11668	2.2
173.09627	1.8
173.13205	3.8
175.11137	4.1
177.09113	1.5
177.12694	2.2
179.14296	1.6
183.06557	3.9
183.11732	1.7
187.11130	2.6
187.14809	2.3
191.14294	2.6
193.12236	2.1
197.13162	1.7
201.07570	2.6
201.12712	3.9
207.13628	2.7
211.07513	1.8
211.13228	1.2
215.14378	2.5
215.17831	2.7
219.13887	1.7
229.19431	1.2
239.17909	3.9
247.20490	3.0
257.18994	12.6
262.80505	1.2
272.50778	1.3
273.06104	1.7
275.20016	100.0
276.20410	3.3
293.21072	10.9
294.21228	1.4
340.15082	1.7
349.23657	39.0
352.64212	1.1
367.24646	1.5
377.23154	2.7
391.24643	9.5
402.14398	1.4
416.70932	1.4
457.25720	2.9
511.28284	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	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90987	2.7
53.03928	12.3
55.01854	14.4
55.05503	32.1
57.03430	24.7
57.07055	6.7
61.02903	11.0
63.39850	2.8
65.03922	6.4
66.62024	2.7
67.05139	5.0
67.05492	76.5
69.03419	40.9
69.07063	29.2
69.57045	23.7
69.57464	7.5
70.06574	3.3
71.01331	6.6
71.04972	11.9
73.02894	6.9
79.05482	60.3
81.03402	66.5
81.03875	5.1
81.07040	100.0
82.40489	2.8
83.04967	24.8
83.08595	12.6
85.02885	33.0
85.06509	9.9
91.03911	4.7
91.05460	54.5
93.07030	67.6
95.04965	19.3
95.08597	49.7
97.02869	38.1
97.06496	13.9
97.10138	11.7
98.20729	6.0
99.04422	10.8
99.08107	6.2
103.03923	5.7
105.07011	55.0
106.07337	3.3
107.04906	15.4
107.08580	43.3
109.02855	11.5
109.06490	16.3
109.10132	36.4
111.04411	8.7
111.08067	10.6
113.05942	4.2
115.05418	3.8
117.07004	18.2
119.08558	52.3
121.06473	10.8
121.10112	24.3
123.04418	3.9
123.07999	7.6
123.11674	13.7
125.05957	4.3
125.09615	7.1
127.03886	25.3
129.05431	10.0
129.07001	10.2
131.08542	30.1
133.06483	6.1
133.10109	37.2
135.08025	12.7
135.11696	21.3
137.05940	4.6
137.09616	7.8
137.13182	3.9
139.03969	3.7
139.07536	3.6
141.07018	3.1
143.08586	10.7
145.04913	3.5
145.06436	5.7
145.10089	32.0
147.07988	4.9
147.11658	26.3
149.09605	16.6
149.13226	14.2
151.11143	9.6
155.08543	5.0
157.10091	8.8
159.11630	17.8
161.09639	8.9
161.13185	7.6
163.11166	10.8
163.14783	3.9
165.12778	5.4
169.10121	5.5
171.11636	8.6
173.04419	12.8
173.11781	4.7
173.13206	10.0
175.11180	6.6
177.12708	8.6
177.73956	3.6
179.10553	3.1
181.12134	3.7
183.06458	4.2
183.11624	7.3
185.13257	5.1
187.11096	5.3
189.11148	4.0
189.12723	5.6
193.12238	8.8
195.13724	4.9
197.13278	5.2
201.07635	3.1
205.12224	3.2
211.13168	7.9
229.19368	4.3
239.18019	7.6
247.20563	7.7
249.14664	4.5
257.18903	15.7
263.16293	4.0
267.15863	4.9
269.17426	5.6
271.09695	4.8
275.20032	62.1
293.21353	4.2
301.96024	3.4
349.23590	53.6
367.24835	4.9
373.23782	3.5
413.21646	22.4
457.29596	4.3
475.26553	5.6
493.27811	11.4
511.23193	3.1
511.29111	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	512.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05491	1.2
57.03425	1.6
67.05491	16.2
69.03407	1.3
69.07065	1.5
69.90932	6.9
71.04971	2.2
80.20517	0.9
81.03403	1.4
81.07042	11.9
83.16419	1.0
85.02897	5.3
93.07014	1.4
95.04928	2.0
95.08600	9.6
97.02863	2.6
99.04440	1.3
107.08581	1.9
109.06507	2.2
109.10139	56.7
110.10517	1.2
119.08582	2.8
121.10147	1.5
125.05972	3.9
136.34857	1.0
137.09590	100.0
145.92059	1.1
155.10643	15.6
165.09093	64.9
183.10144	11.5
201.11188	50.6
219.12230	1.6
251.12801	1.1
269.13760	10.3
279.12259	5.1
287.14908	3.2
296.86096	1.0
297.13284	53.9
315.14343	14.2
333.15604	2.0
381.38116	1.1
422.65323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31961	1.5
50.83537	1.6
53.03930	3.6
55.05499	3.6
57.03436	1.4
60.04510	3.0
67.05491	29.8
69.03417	9.3
69.37705	8.5
69.38136	7.6
70.06570	5.2
71.04979	5.2
72.08123	2.4
79.05490	3.3
81.03402	11.1
81.07042	22.9
84.08146	1.5
85.02898	13.1
91.05477	3.4
92.44492	1.5
93.07026	6.3
95.04935	8.7
95.08578	11.4
97.02879	41.2
98.20741	3.0
99.04438	5.3
106.19257	1.4
107.04978	2.0
107.08617	2.4
109.02862	13.0
109.06505	1.5
109.10139	90.0
110.10485	1.6
111.04428	11.5
117.03420	1.9
119.04897	1.7
119.08575	8.8
121.10135	7.7
123.04380	4.1
124.03930	3.7
127.03888	13.3
133.04953	2.6
133.79852	1.6
137.09593	87.7
138.09874	1.3
145.02797	3.8
145.04918	6.5
147.04347	4.6
147.08026	14.1
155.10637	18.6
165.09093	100.0
177.05403	4.9
180.08754	1.7
183.10132	23.2
201.11186	22.3
207.06339	1.4
211.16974	1.6
223.13446	1.8
226.08417	1.9
244.09570	2.5
251.12685	3.4
269.13776	30.3
274.10794	1.6
279.12341	7.7
287.14828	4.9
290.21423	1.7
297.13284	40.9
298.13449	1.6
309.13409	2.0
315.14374	18.2
327.14294	4.4
332.13617	1.7
333.15317	2.5
350.29028	3.4
434.17108	2.5
441.17145	2.9
451.40610	1.6
452.17740	2.2
459.18570	5.4
494.18283	2.0
512.20062	14.0
512.33557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3049
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.01861	5.5
55.05499	7.8
57.03421	7.7
61.02921	14.1
67.05492	28.6
69.03410	6.6
69.07054	10.4
71.01375	2.9
73.02905	7.2
78.42445	2.5
79.05484	30.1
81.07050	27.9
83.08608	6.0
85.02873	13.5
85.06538	5.2
87.95522	2.6
91.03945	7.3
91.05456	26.3
93.07024	47.3
95.04955	5.0
95.08585	23.1
97.02885	7.0
105.07015	27.9
107.08572	27.5
109.10143	8.4
114.62919	2.4
115.76175	2.4
117.07021	10.2
119.08560	35.0
121.09382	2.7
121.10140	26.2
127.03897	3.6
129.07007	6.9
131.08571	14.8
133.10094	24.7
135.08070	2.7
135.11682	25.1
143.08537	9.3
145.10092	18.1
147.11636	24.5
149.13228	14.5
157.10074	7.1
159.11633	15.6
161.13242	23.2
163.14854	3.3
165.83920	2.7
171.11656	9.5
173.13261	9.6
174.64668	2.6
175.14786	10.4
178.20863	2.4
185.13217	12.3
187.14876	3.3
189.12711	4.8
196.10135	2.9
199.14851	4.8
203.14250	3.5
229.88925	3.2
231.20961	3.7
236.01102	2.8
241.19417	25.2
259.20535	49.9
277.21478	4.9
333.24307	7.8
349.23877	3.4
351.25272	100.0
385.24197	3.2
429.27090	3.0
477.28482	4.4
495.29288	5.8
513.18878	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01861	3.3
55.05497	7.6
57.03426	6.1
61.02918	13.7
67.05499	22.8
69.03420	7.4
69.07056	6.5
69.55834	17.3
70.19067	2.0
71.04961	4.4
73.02913	5.0
79.05481	26.6
81.03394	4.0
81.04591	2.0
81.07043	28.7
83.08617	4.5
85.02887	13.2
91.03917	8.4
91.05463	29.0
93.07030	32.0
95.04954	5.9
95.08595	15.6
97.02864	8.5
97.06504	3.2
97.10156	2.7
98.21432	3.1
99.04456	4.1
99.08105	2.5
105.07016	27.6
107.04952	3.4
107.08584	17.3
109.06509	2.5
109.10139	11.4
117.07023	10.2
119.08568	29.8
120.11549	2.6
121.06563	2.7
121.10133	16.9
127.03893	3.3
129.05478	4.3
129.07028	5.0
131.08533	14.8
132.98537	1.9
133.10109	25.4
135.11649	18.9
137.09589	2.8
143.08557	8.9
145.10078	20.0
147.11664	24.8
149.13252	12.0
155.08420	2.4
156.84581	1.9
157.10109	9.2
159.11665	16.2
161.13243	22.0
163.11241	2.4
163.14778	2.5
169.10052	3.4
171.11615	10.5
173.13268	9.2
175.14812	10.1
177.12694	2.4
183.11731	3.5
185.13217	8.1
197.13269	2.5
199.14839	6.9
231.21057	3.8
241.19519	18.4
241.61217	2.7
259.20560	43.1
262.52673	2.2
301.21661	3.6
325.21613	2.3
333.24207	2.5
349.23679	3.8
351.25250	100.0
363.25223	3.1
367.22760	2.9
385.23544	2.5
417.26389	3.1
441.26190	6.8
459.27277	4.0
477.28525	6.3
495.29535	5.4
507.47797	2.4
513.18506	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01858	10.2
55.05271	2.5
55.05500	26.5
57.03421	26.0
59.04976	5.8
59.16003	1.8
67.05495	100.0
69.03398	5.0
69.07063	15.6
71.04968	4.5
73.02887	8.0
79.05477	26.6
81.03389	7.7
81.07043	54.9
82.04160	1.8
83.04951	8.6
83.08609	16.2
85.02866	7.4
85.06529	3.6
85.27133	1.9
87.04445	3.1
91.05465	24.5
93.07039	28.0
95.04942	8.8
95.08595	16.0
97.06512	4.2
97.10168	13.7
98.20695	3.1
105.07007	6.3
107.04944	3.6
107.08578	18.1
109.10137	65.0
111.07298	1.8
111.08051	5.1
113.05982	2.3
116.04667	7.1
117.06999	7.0
119.08552	12.8
120.50431	2.4
121.06471	2.7
121.10106	6.4
123.07977	2.9
123.11675	3.9
125.09613	12.4
125.10374	1.8
129.05463	36.4
131.08514	6.1
133.10086	8.3
135.08051	2.5
135.11694	6.0
137.09581	3.5
143.07013	8.4
143.08514	2.8
145.10110	4.1
147.11665	4.0
149.13225	10.6
154.94121	2.9
155.10645	4.8
157.08591	3.6
157.09993	4.0
159.11644	3.6
163.11189	2.6
171.10216	2.8
172.95149	3.5
173.11722	21.3
177.12572	2.6
177.57413	2.3
185.11688	7.4
193.12219	3.1
195.13794	7.5
211.13118	1.9
229.14314	46.0
241.08499	3.4
257.17355	3.9
269.17453	9.8
407.25940	2.0
423.27350	19.4
453.17242	2.2
471.18207	4.7
513.30316	7.0
513.36523	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00649	1.7
55.01867	15.7
55.03021	1.9
55.05506	30.7
57.03431	21.8
57.07065	2.9
59.28613	1.8
65.03904	3.3
67.05494	100.0
69.03407	4.1
69.07053	13.7
69.40961	19.5
69.41364	5.0
71.04978	6.9
73.02900	3.6
79.05486	23.4
81.03409	8.5
81.07039	52.8
83.04971	6.1
83.08611	19.3
84.74628	1.9
85.02895	5.8
85.06517	5.5
87.04447	2.8
91.05466	21.3
93.07028	27.3
95.04961	8.3
95.08574	18.6
97.06513	5.8
97.10173	13.7
99.08081	2.9
101.56358	1.9
105.07000	12.1
106.52039	2.3
107.04906	3.4
107.08589	19.0
109.06500	3.2
109.10137	65.7
111.08066	6.0
111.32130	2.2
116.04693	7.1
117.07014	5.3
119.08546	14.2
121.10088	7.3
123.08015	2.2
123.11694	2.6
125.09618	15.0
129.05457	33.4
129.06931	4.3
131.08539	6.6
133.10085	8.1
135.11665	6.4
137.09564	5.2
143.07028	7.7
145.10086	4.2
147.11656	2.7
149.13264	7.6
156.95930	2.0
157.08601	6.2
159.11618	5.0
163.11182	2.8
172.95233	2.9
173.11711	22.1
177.12735	3.2
185.11668	7.6
193.12193	2.6
195.13777	6.2
197.11629	3.2
199.13278	4.1
200.14117	2.2
211.13152	2.9
226.06247	3.6
229.14288	43.0
241.08539	5.2
255.10199	2.7
257.17368	2.9
269.07941	3.5
269.17557	10.3
283.26273	3.3
284.26828	2.1
411.45258	2.4
421.31161	2.2
423.27322	20.8
471.18103	5.8
513.29382	12.7
513.50610	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03927	3.3
55.01859	4.4
55.05497	12.6
57.03411	6.7
60.07752	3.1
61.02909	16.9
61.52305	3.0
67.05495	38.9
69.03415	7.7
69.07050	9.3
70.32330	4.9
70.32735	10.2
73.02908	3.9
79.05489	34.4
81.03412	5.6
81.07043	44.3
83.04967	5.7
83.08590	6.3
85.02888	12.7
85.06507	3.6
87.11503	3.2
91.03915	6.2
91.05463	31.3
93.07030	50.7
95.04945	8.6
95.08578	24.9
97.02872	9.9
97.06528	5.9
105.07019	36.0
105.97550	3.7
107.04934	4.5
107.08556	19.0
109.06532	3.7
109.10125	12.3
111.08073	3.1
117.06996	10.3
117.26654	3.2
119.08574	30.4
119.54599	3.3
121.06468	5.7
121.10109	26.2
129.06973	7.8
131.08562	14.0
133.10117	28.5
135.08017	5.0
135.11682	26.8
141.12721	3.1
143.08510	12.3
145.10101	16.2
147.11684	28.8
149.13249	15.2
155.08609	3.9
157.10120	7.1
159.11632	16.3
161.13220	21.7
163.14795	5.8
171.11653	8.5
173.13251	10.5
175.14804	12.9
183.11633	3.9
185.13239	9.7
199.14738	8.0
221.15408	3.3
231.21159	3.6
241.19511	22.8
259.20508	46.1
277.21667	8.7
333.24207	8.7
349.23856	5.3
351.25247	100.0
363.25107	3.7
373.60696	3.5
441.26059	3.7
459.27383	4.8
477.28375	3.9
495.29022	6.7
513.18634	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01867	0.6
55.05502	3.3
57.03439	0.5
57.07071	0.5
67.05490	9.1
67.98769	0.5
69.07055	1.8
70.06568	1.1
71.69498	0.9
79.05479	7.7
81.03394	1.4
81.07047	12.5
83.04961	2.0
83.08598	2.7
83.63029	0.7
85.02890	1.7
85.06525	0.6
87.67189	0.5
91.05460	6.7
93.07030	16.8
95.04942	1.9
95.08591	15.1
97.02876	1.0
97.06512	1.7
97.10187	0.6
99.04443	1.4
105.07014	13.9
106.07364	0.8
107.04882	0.6
107.08579	20.2
109.06493	0.8
109.10133	9.5
111.04416	5.4
111.08060	3.5
113.05986	0.7
117.07029	2.6
119.08560	24.1
121.06460	1.3
121.10120	9.8
123.04380	0.7
123.08092	1.2
123.11669	1.6
125.05976	3.6
125.09615	3.9
127.03947	0.8
129.06940	0.8
131.08536	4.5
133.09166	0.9
133.10104	8.7
135.04411	1.4
135.08012	2.0
135.11679	12.3
137.05956	0.8
137.09586	1.3
139.07507	16.9
139.08557	1.0
140.07895	0.7
142.07692	0.8
143.08533	1.6
145.10114	4.9
147.11664	5.2
149.05939	1.1
149.13223	3.9
151.07550	0.7
151.11185	1.6
153.09084	38.5
157.10088	2.1
159.11658	3.2
161.13225	2.2
165.09140	0.8
167.10686	0.6
169.10069	1.1
170.10909	0.8
171.11714	1.7
173.13255	0.8
179.10658	1.2
179.52658	0.5
181.12213	0.6
183.11577	0.7
185.13232	1.6
187.11177	1.5
187.14828	0.8
189.09009	1.0
189.12737	0.7
189.16396	0.6
191.10678	4.2
193.12222	9.4
201.16391	1.8
203.10620	2.1
205.12201	15.3
217.12222	9.5
219.13739	2.4
229.12177	3.3
231.13757	4.8
243.13873	1.3
245.15237	1.4
257.15433	1.1
259.16876	1.6
269.18994	0.9
271.16843	1.0
287.20013	100.0
288.20325	2.0
299.20007	24.3
300.20303	0.7
317.21039	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	515.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	7.6
69.03391	1.3
69.38942	7.6
69.39349	1.8
82.99850	1.3
84.96029	2.0
85.02859	2.4
97.02872	2.5
98.20596	1.0
98.97571	11.3
100.99133	2.7
101.00832	6.2
102.08279	0.9
110.97556	2.5
112.99102	3.3
115.02422	0.9
116.97875	0.8
116.98594	6.4
119.00153	2.2
119.01888	17.8
127.02369	5.2
127.03862	1.6
128.98558	5.5
129.25121	0.8
131.00163	7.2
131.01854	5.0
133.03435	2.9
134.99609	3.4
137.02927	3.3
139.02423	1.1
140.98633	1.2
142.03476	1.2
143.00140	1.8
143.01877	17.3
144.98067	1.8
145.01688	1.5
145.03441	35.0
146.99631	5.2
147.01410	1.0
149.01160	5.2
149.02899	1.3
151.04558	0.8
152.98616	1.0
155.01846	10.6
157.03442	12.4
158.99646	3.5
161.01208	2.3
161.02921	20.8
162.99107	1.7
163.04008	4.2
164.04140	0.9
165.00739	2.1
167.01888	6.1
169.03490	4.4
170.99696	4.4
171.04958	2.2
172.97572	1.7
173.01468	0.7
173.02919	22.1
175.03001	1.3
175.04495	7.1
177.00757	4.8
179.01889	3.3
182.99603	1.9
184.04532	1.4
185.02919	34.6
187.03033	0.9
187.04475	5.4
189.00723	6.2
190.98592	6.1
191.03987	17.3
193.03780	3.6
197.02937	15.5
199.04472	2.5
201.00677	8.8
203.03957	12.5
207.01691	1.3
208.04587	1.1
208.99632	9.4
209.03032	1.4
209.05040	1.8
211.04791	2.9
214.98578	2.2
215.04005	10.8
219.01723	8.7
221.03041	1.3
221.05023	2.8
223.02542	1.2
227.03996	8.5
232.99739	6.7
233.05043	16.4
237.02718	6.2
239.03891	1.1
243.01692	2.4
245.05034	100.0
246.05130	2.7
247.04561	1.7
247.06760	1.7
249.06131	1.4
251.00691	4.3
251.06081	3.6
255.02165	0.9
257.05109	4.9
261.02747	10.9
263.00687	2.7
263.06079	15.5
273.02710	1.3
275.06052	17.5
279.03839	3.5
281.07047	1.8
286.07654	1.9
287.05957	1.8
291.03848	4.3
293.01712	1.5
293.07187	6.9
302.05368	1.1
305.07123	17.1
309.04834	5.4
317.01712	2.1
317.06958	1.9
321.04904	3.9
323.10034	1.8
335.02759	4.9
335.08185	12.2
341.09012	6.0
351.05710	1.3
353.03680	3.9
353.08817	1.7
365.04944	1.7
365.09253	27.1
366.09348	0.9
381.06812	2.6
383.09976	1.5
399.07813	2.9
497.07141	1.1
497.13925	7.8
515.08478	7.7
515.15601	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.2
78.13804	0.6
82.99849	1.2
94.99829	0.5
97.02857	0.9
98.97569	2.8
101.00859	7.1
109.02839	1.0
110.97516	0.9
113.00813	1.0
115.02390	0.5
119.01911	15.7
127.02397	5.6
128.98570	1.3
129.03925	0.6
131.01895	4.7
133.03452	1.4
135.57022	0.5
137.02928	1.4
139.02391	0.8
142.03458	0.5
143.00179	0.9
143.01875	16.8
145.03441	30.8
146.03624	0.8
146.99600	0.7
147.01381	1.1
147.04965	0.6
149.02943	0.6
155.01855	11.2
155.03017	1.1
157.03445	10.9
158.03461	0.6
158.99602	1.1
161.02928	18.0
162.88608	0.5
163.04491	2.8
167.01866	6.8
168.05020	0.6
169.03401	3.9
170.99608	0.9
171.01282	0.6
171.04990	2.1
173.02939	22.4
175.04506	4.8
177.00673	0.9
179.01836	2.7
181.03406	0.9
185.02934	35.7
186.03133	0.9
187.04510	4.9
189.00722	0.9
190.98590	2.0
191.03973	16.4
197.02934	13.1
199.04526	1.8
201.00684	2.2
203.03996	11.5
208.04494	1.1
208.99670	1.6
209.02975	1.0
209.04959	1.2
212.05336	0.7
215.03996	9.4
217.05501	0.6
219.01691	1.9
221.02992	0.6
221.04997	1.5
227.03984	9.8
229.05496	1.0
231.34204	0.5
232.99709	1.6
233.02663	0.9
233.05023	18.2
234.05061	0.7
237.02798	1.6
239.03987	0.8
243.01712	1.0
245.05040	100.0
246.05298	3.1
247.06609	1.6
251.00801	0.7
251.06183	3.0
257.04993	5.9
259.06796	0.6
259.93555	0.6
261.02786	2.1
263.06104	15.5
275.06082	16.9
277.32751	0.6
279.03784	1.1
281.07208	0.6
287.06033	1.1
291.03809	0.8
293.07126	7.7
305.07156	15.6
317.01590	0.6
317.07062	2.2
321.04758	0.8
335.08176	11.4
347.08063	0.8
353.03802	1.0
353.09174	1.6
365.09250	24.5
366.08911	0.7
377.09238	0.8
381.06961	1.1
383.10388	1.2
399.07813	0.7
497.13446	5.7
515.08899	2.0
515.14691	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	515.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.1
71.09703	1.8
82.99853	1.4
84.96008	1.8
85.02907	1.1
90.91604	0.7
94.06522	0.8
97.02879	1.3
98.21508	0.8
98.97562	11.8
100.99117	2.9
101.00864	5.7
110.97548	3.6
113.00848	1.3
114.39570	0.6
116.98603	5.2
119.01907	14.0
127.02409	5.3
127.03803	0.8
128.98547	5.6
131.00125	1.6
131.01880	5.9
133.03423	2.1
134.99615	1.8
137.01959	0.8
137.02937	1.6
139.02313	0.9
140.98537	1.9
143.00211	3.2
143.01865	15.5
144.98045	1.8
145.03447	29.1
146.99643	3.4
147.01384	1.6
149.01149	1.6
155.01854	11.8
157.03441	10.7
158.99620	4.8
159.05031	0.7
161.01221	2.3
161.02924	19.1
162.99075	1.4
163.04370	2.9
165.00664	2.4
167.01855	6.9
169.03448	3.8
170.99599	6.3
171.05043	2.6
172.97517	2.6
173.01456	0.8
173.02925	22.1
174.99127	1.0
175.04526	5.5
177.00711	4.0
179.01857	3.8
182.99648	2.4
184.04376	0.8
185.02924	35.4
186.03139	1.3
187.04506	5.0
189.00676	5.1
190.98567	6.1
191.03937	15.2
197.02913	10.9
199.04472	2.2
201.00679	11.0
202.55170	1.2
203.03941	11.6
208.04585	1.0
208.99651	8.5
209.02863	1.1
209.04979	0.8
212.05327	0.8
214.98593	2.5
215.03992	9.0
219.01755	8.9
223.02725	1.3
227.00613	0.8
227.03955	7.6
228.04211	0.8
229.05620	1.1
231.01688	1.2
232.99675	8.6
233.05060	15.9
237.02715	6.2
242.03380	1.2
243.01794	3.4
245.05034	100.0
246.05281	3.2
251.00677	3.8
251.06007	3.9
257.05014	5.6
261.02737	11.4
262.03058	0.6
263.00717	2.6
263.06116	14.5
273.02713	1.6
274.98022	0.7
275.06076	18.3
279.03778	5.5
281.01837	0.7
281.07254	1.2
286.07455	0.9
287.05923	1.1
290.12097	0.7
291.03882	2.6
293.01721	1.7
293.07300	6.0
305.07156	16.1
309.04947	1.3
317.01752	3.1
317.07181	2.4
321.04916	4.5
335.02734	3.5
335.08170	10.0
339.08960	0.8
341.09021	5.2
351.06158	1.5
353.03857	5.0
353.09299	1.8
365.09235	23.6
381.06918	3.0
383.10126	1.8
399.07950	2.3
455.10931	1.5
471.09973	0.8
497.07098	1.4
497.13727	5.3
504.61874	0.7
515.08655	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	515.2424
Annotation	Telmisartan
Peak:m/z	Relative Intensity
51.02357	0.7
51.62607	0.5
52.30526	0.6
53.03919	2.2
55.01846	0.6
55.05472	0.8
58.26321	0.6
65.03897	0.9
67.05473	1.2
69.59176	0.6
71.52038	0.7
71.52372	1.0
72.63681	0.6
79.05025	0.8
79.05477	16.3
79.06149	0.7
81.07034	0.8
91.05457	8.8
93.07015	2.8
94.48727	0.7
95.04944	4.3
95.08587	1.1
103.05450	14.6
105.04499	0.8
105.07013	40.7
107.04955	4.2
107.08546	1.1
109.06485	1.3
115.05389	1.1
117.06967	1.4
118.04134	0.7
119.04926	1.7
119.08516	0.7
119.21286	0.6
120.05713	7.0
121.06488	10.2
122.07183	0.7
123.08028	2.5
129.06946	0.7
133.06479	3.5
135.04376	1.4
135.08028	13.4
136.05193	0.7
137.05965	3.4
138.06696	0.9
139.07504	2.5
141.06953	1.1
145.06410	0.8
145.10062	0.7
149.05966	2.0
149.09576	1.2
150.06726	13.7
151.07515	45.1
152.08232	1.4
153.09033	2.8
155.08488	0.9
164.94891	0.7
165.09088	100.0
166.09421	1.9
167.08551	0.6
168.08559	0.6
169.06415	0.8
178.07686	1.9
179.08565	2.8
179.10634	6.4
181.06465	2.3
182.07281	2.0
183.07980	2.0
193.06464	0.9
194.07280	0.8
195.08052	1.3
197.05928	3.8
197.09624	3.4
199.07515	0.9
202.07777	0.7
207.08009	1.6
210.06750	4.8
211.07509	8.1
211.11035	1.0
212.08231	2.8
213.09073	1.6
221.09631	1.3
223.07555	0.8
224.08287	2.6
225.09067	22.9
226.09808	1.9
227.06897	0.8
239.10606	9.2
242.09302	1.4
255.10062	1.0
257.11646	1.8
258.12479	1.8
285.09296	0.7
285.76950	0.7
313.08655	0.7
363.15829	8.5
377.17279	6.9
406.80856	0.7
483.21573	0.8
515.24243	85.9
516.24939	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.3
55.01850	3.3
55.05509	18.5
57.03420	12.1
57.07037	2.9
61.02909	6.8
67.05142	5.3
67.05495	98.2
69.03412	7.7
69.07061	22.8
70.13276	14.2
71.04971	5.8
71.08594	3.6
73.02926	2.8
79.05482	57.4
81.03415	5.6
81.07045	100.0
81.76940	3.1
81.99181	2.8
83.04955	4.1
83.08595	11.0
85.02890	7.1
85.06509	5.7
90.81651	3.4
91.03933	5.1
91.05470	37.6
93.06431	3.7
93.07030	65.8
95.04946	7.4
95.08012	5.1
95.08595	77.9
97.02882	6.9
97.06500	9.6
97.07132	2.7
97.10136	6.6
99.04400	3.4
99.08064	6.5
105.07008	28.6
107.08566	39.9
109.02961	3.3
109.06484	9.0
109.10143	43.6
117.06963	10.0
119.08570	27.8
121.06491	4.2
121.10130	32.9
123.08030	6.3
123.11690	17.0
127.03854	3.4
129.06952	5.3
131.08537	26.5
133.10124	18.6
135.08009	3.3
135.11659	26.9
137.13229	8.1
143.08513	5.7
145.10091	26.1
147.11673	19.6
149.13225	19.8
157.10088	4.5
159.11679	24.3
161.13306	13.6
163.11098	4.5
163.14783	11.9
171.11739	5.3
173.13208	18.2
175.14792	8.0
177.16328	7.3
185.13242	5.1
187.14772	9.8
201.16440	4.5
205.15891	3.6
226.70090	3.6
233.22589	3.8
243.21046	21.5
261.22125	75.6
279.23123	6.2
299.23184	4.0
301.21771	4.0
303.23383	2.9
306.64801	3.2
317.24738	4.7
335.25769	29.2
345.24179	4.4
353.26822	14.9
365.27258	2.9
369.23999	3.7
395.88132	3.1
419.28070	3.5
461.28604	4.4
470.40442	3.5
497.30865	7.5
515.37830	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35115	3.3
50.67348	3.6
53.03924	6.1
55.05502	20.1
57.03426	4.8
61.02909	7.5
65.03934	4.7
67.05495	95.7
67.46561	3.2
69.03419	12.7
69.07061	20.3
69.07379	4.1
70.53748	15.0
70.80469	3.8
78.65768	3.1
79.05477	60.0
81.03400	6.4
81.07045	100.0
83.04983	3.7
83.08613	11.4
85.06519	5.9
91.05462	48.4
93.07029	81.1
95.04991	9.0
95.08584	67.7
95.42841	4.1
97.02930	5.8
97.06535	7.9
97.10172	7.3
99.08084	4.2
105.07011	38.7
105.30882	3.4
106.31495	3.5
107.08571	46.7
109.06458	6.9
109.10133	39.6
111.08061	5.7
112.32597	3.9
117.07005	11.3
119.08585	29.6
119.09358	5.4
121.06535	5.1
121.10132	41.5
123.08063	4.2
123.11700	18.8
129.07031	9.8
131.08546	31.7
133.10107	24.6
135.11685	27.7
137.13234	9.2
143.08588	8.7
145.10121	28.0
147.11653	13.6
149.09624	4.8
149.13235	21.3
157.10199	4.8
159.11719	19.7
161.13277	17.8
163.14833	14.7
169.10049	4.7
171.11659	6.2
173.09528	4.3
173.13185	23.9
175.14822	5.8
177.16345	6.8
177.45099	3.5
184.86897	3.3
187.14888	8.3
194.36661	3.8
197.05818	3.5
201.16422	5.0
243.21123	25.0
261.22116	72.0
270.32932	5.0
322.86362	4.0
335.25803	11.6
345.24323	5.7
353.26907	14.0
369.24384	4.2
387.25488	4.6
515.37164	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65300	2.6
51.31260	2.8
51.88132	2.5
53.03917	5.7
53.24326	2.9
55.01847	3.5
55.05505	25.9
57.03420	10.8
57.07060	4.6
58.80678	2.8
60.79654	2.7
61.02904	4.9
67.05141	5.3
67.05493	83.4
69.03423	9.6
69.07054	21.3
70.75382	8.4
71.04986	5.5
71.08585	3.5
79.05482	62.8
81.03403	5.0
81.07043	100.0
83.04966	7.7
83.08604	10.1
85.02888	10.9
85.06563	3.7
91.03942	5.3
91.05468	31.3
93.07030	62.9
95.04951	12.1
95.08595	74.0
97.02856	4.9
97.06502	8.8
97.10163	5.3
99.08066	7.6
103.03883	3.2
105.06995	34.5
107.04922	7.6
107.08577	44.3
109.06476	7.3
109.10148	33.6
111.08069	4.3
117.07024	17.5
119.08558	24.8
121.06483	12.3
121.10139	33.8
123.08034	4.1
123.11701	14.2
125.13204	2.8
127.03925	3.2
129.06982	6.4
131.08557	25.0
133.06531	6.0
133.10121	19.0
135.08054	4.0
135.11662	27.0
137.05853	3.6
137.13280	5.5
139.11137	4.5
141.06952	4.8
143.08557	7.9
145.10118	19.5
147.11665	11.9
149.13257	14.1
151.07501	7.2
157.10124	5.4
159.11679	20.4
161.13243	11.7
163.11223	4.3
163.14821	10.9
165.09076	12.1
169.06380	4.2
171.11653	4.2
173.13248	12.7
175.11168	3.6
175.14845	3.9
177.57831	2.9
185.13232	6.4
187.14819	6.6
189.12723	3.2
193.12015	3.4
197.06038	6.8
197.13145	4.1
209.13171	4.1
211.07480	7.4
241.08424	4.4
242.09241	3.3
243.10278	4.2
243.21054	14.0
257.07965	4.8
261.22070	46.5
279.23361	5.0
301.21417	3.7
303.23044	4.8
313.08392	3.9
331.09647	11.4
335.25735	18.9
345.10864	3.2
345.23886	6.2
345.54950	3.2
353.26660	13.3
387.25665	6.1
419.27707	6.5
443.27524	3.6
461.28815	7.0
483.18002	7.8
497.30951	7.9
515.37024	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	515.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83292	2.0
53.03933	3.9
55.05499	21.0
57.03421	5.3
65.03927	4.3
67.05490	58.5
69.07056	19.0
69.66332	20.7
71.04984	5.3
79.05479	56.1
81.03412	5.0
81.06603	4.2
81.07043	43.9
83.04960	6.6
83.08595	7.0
85.06535	3.6
90.96446	2.5
91.05474	28.3
93.07034	58.6
95.04959	6.0
95.08594	25.8
97.06506	7.4
97.10160	9.3
98.20708	5.2
105.07026	15.3
107.08570	33.8
109.06507	2.6
109.10133	9.9
111.08084	2.4
117.06982	10.1
119.08562	16.8
121.10129	21.5
129.06972	5.7
130.07823	3.1
131.08553	10.6
133.10123	10.3
135.11678	44.1
143.08539	4.8
145.10083	14.5
149.13251	4.2
157.10037	3.6
159.11658	6.8
163.11168	6.0
167.08575	2.7
169.10068	2.3
171.11653	4.9
172.99670	2.7
173.13235	5.0
174.64265	2.3
181.12199	5.0
185.13159	3.2
261.22012	4.7
423.32635	6.0
497.36160	3.3
515.37244	100.0
516.37457	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	515.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
55.01852	2.5
55.05236	1.3
55.05498	16.0
57.03430	6.3
57.07057	1.3
65.03921	4.6
67.05492	61.1
69.03418	1.8
69.06685	1.2
69.07049	15.9
69.53690	1.0
70.01023	5.6
71.01329	3.1
71.04971	4.5
77.03922	1.0
78.47872	0.9
79.05479	59.6
81.03389	3.0
81.07040	42.2
83.04964	6.5
83.05744	1.1
83.08592	4.6
85.06518	3.2
91.05460	32.2
93.07025	66.8
95.04948	8.3
95.08588	23.9
97.06517	9.7
97.10139	5.8
99.08085	2.0
105.07015	19.7
107.04948	1.8
107.08569	33.1
109.06493	2.4
109.10123	11.0
111.08054	1.8
115.05414	1.2
117.06995	10.5
119.08556	15.3
121.06509	1.5
121.10129	18.3
123.11698	2.0
125.09591	2.3
129.06982	3.2
130.07738	1.3
131.08560	10.9
133.10115	10.0
135.08089	1.1
135.11665	47.9
137.09602	1.7
142.07675	1.2
143.08553	4.7
145.10075	14.7
147.11694	4.7
149.13222	2.4
155.08594	2.7
157.10138	5.5
159.11673	7.4
161.13200	2.8
163.11148	5.7
169.10120	1.6
171.11702	2.4
173.13213	7.3
175.14882	1.8
181.12254	6.2
183.11636	1.3
185.13217	1.9
187.14774	2.2
195.11644	2.0
197.13266	1.6
199.14847	2.1
209.13333	1.3
243.21036	1.3
261.22113	4.4
299.23752	1.1
311.23520	1.5
381.71561	1.1
405.31610	2.6
423.32532	7.2
459.34863	1.7
497.35779	1.7
515.37231	100.0
516.37573	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	515.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86532	1.2
53.03930	4.2
55.01856	3.0
55.05507	20.3
57.03425	7.7
57.07067	2.6
65.03928	2.8
67.05498	58.5
69.03405	2.3
69.07062	16.6
69.36932	2.3
69.37337	9.3
71.01344	2.3
71.04977	4.7
79.05482	55.2
81.03403	2.5
81.07044	42.0
83.04961	7.3
83.08591	6.0
85.06532	3.1
91.05468	30.5
93.07033	63.2
95.04961	8.6
95.08598	28.6
97.06524	9.2
97.10155	7.8
98.20636	2.1
101.33181	1.3
105.07008	18.6
107.04968	1.1
107.08578	35.7
109.06534	2.3
109.10152	12.6
111.08073	3.6
117.06995	10.5
119.08563	14.9
121.10127	20.0
123.08014	1.5
123.11691	2.1
125.09599	1.7
128.06163	1.2
129.06985	3.7
130.07803	1.6
131.08546	12.7
133.10097	11.8
135.11674	44.5
139.07468	1.2
143.08493	5.8
145.10109	14.6
147.11652	6.4
149.13239	4.7
151.11211	1.1
153.12738	2.8
155.08545	1.9
157.10104	5.6
157.45438	1.1
159.11678	7.2
161.13266	3.4
163.11156	6.1
169.10188	2.4
171.11690	4.1
173.13254	7.5
181.12210	5.5
183.11726	3.5
185.13286	2.5
187.14812	3.4
195.11665	2.2
197.13234	1.9
199.14867	2.5
201.16380	2.2
208.30299	1.2
209.13246	1.5
211.14786	1.7
218.65759	1.3
243.21097	1.4
261.22107	4.9
374.42487	1.2
405.31491	2.0
423.32434	6.2
441.33572	2.7
497.36270	2.9
515.37274	100.0
516.37396	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	515.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01854	3.4
55.05500	19.5
57.03432	7.6
57.07061	2.3
57.97660	1.1
62.24931	1.0
65.03920	1.6
67.05491	51.5
69.07056	14.7
71.01330	2.2
71.04969	2.9
71.69054	1.6
77.03883	1.2
79.05481	49.4
81.03378	2.0
81.07040	36.8
83.04980	8.7
83.08598	6.4
85.06517	2.0
91.05463	25.4
93.07028	59.3
95.04945	6.9
95.08582	25.0
97.06524	9.0
97.10122	7.3
98.21074	1.6
99.08065	1.3
103.05466	1.4
105.07012	18.7
107.08570	29.3
108.97956	1.1
109.06515	1.7
109.10129	8.6
111.08051	1.5
115.05394	1.5
117.07003	10.2
119.08553	18.3
121.10133	14.7
123.11687	1.4
125.09629	2.2
128.06229	1.3
129.06978	5.3
131.08548	14.8
133.10109	10.0
135.11668	35.9
135.46364	1.1
141.06995	1.7
143.08554	5.1
145.10088	15.1
147.11690	5.2
149.13234	4.9
153.12711	3.3
155.08543	2.2
156.92766	1.1
157.10130	4.5
159.11703	7.4
161.13257	3.7
163.11168	3.7
169.10159	2.6
171.11668	5.6
173.13210	6.2
175.56310	1.3
181.12210	4.9
183.11649	3.6
185.13309	3.3
187.14824	2.1
213.16429	1.5
257.08182	1.3
258.08673	1.4
261.22229	3.2
277.98477	1.4
299.23590	1.6
317.24628	1.6
405.31149	1.9
423.32434	7.9
441.33600	3.5
487.81891	1.3
497.36130	2.3
515.20667	3.5
515.37250	100.0
516.37677	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	516.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
61.84531	4.2
67.05490	11.7
69.03401	7.0
70.06568	16.2
70.17717	14.7
70.18128	9.6
71.04980	4.6
71.53556	4.8
71.88660	4.4
74.68556	4.2
74.95634	4.3
75.40123	4.0
81.03412	5.2
81.07040	9.1
82.25834	4.5
83.68743	4.7
84.08128	31.8
85.02876	10.2
85.06506	6.6
85.08436	5.6
86.09696	7.9
87.00800	7.6
89.53587	4.5
91.06245	4.7
93.07040	6.2
95.08585	63.0
97.02885	12.2
105.01830	9.6
105.07038	6.0
107.08581	5.9
108.08079	13.3
109.06512	9.2
109.10150	12.0
113.05986	12.5
114.48289	5.0
119.08524	9.3
121.10108	8.1
123.08040	23.0
124.03925	8.4
124.07588	5.3
127.03871	10.7
127.12290	11.4
135.11678	17.2
136.07564	4.9
137.09596	31.5
147.11604	7.7
149.09587	19.1
159.02971	5.5
161.13242	11.3
176.10638	13.2
189.12708	14.2
207.13776	100.0
218.80388	6.2
223.09314	27.6
250.17966	16.7
309.13092	20.8
337.12494	6.8
355.13577	89.5
517.19214	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1332
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
53.03923	0.7
55.43546	0.4
69.03410	0.7
70.06563	0.7
79.05466	2.4
81.07047	1.0
86.09666	0.6
89.03360	0.8
89.03899	10.5
93.07037	0.6
93.15083	0.4
95.04956	1.0
105.07018	0.5
107.04922	3.3
109.10141	0.8
112.62428	0.5
117.03350	11.8
123.04369	0.5
127.03920	0.5
135.04387	23.2
137.05977	0.4
137.09563	0.5
145.02815	14.4
145.03941	0.8
151.03859	2.0
163.03871	100.0
164.04179	1.5
194.22493	0.5
219.10017	2.2
240.70183	0.5
254.84456	0.5
319.08029	3.6
325.11084	0.5
337.09720	0.6
371.15115	0.5
442.58099	0.5
499.11761	1.4
499.19681	0.7
517.22162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	14.9
53.03931	2.2
55.01851	3.1
55.05499	5.6
65.03922	17.6
67.05495	38.6
68.99779	2.6
69.03413	35.5
70.06579	3.4
71.01340	3.6
72.08167	2.1
83.04963	51.0
85.02886	18.2
87.00788	3.3
89.03890	5.8
92.02583	2.3
93.03391	24.4
95.04951	40.7
97.02866	2.8
99.00146	3.8
99.00797	78.2
107.04948	5.3
109.02888	2.4
111.04423	86.5
115.05438	4.8
117.01836	9.2
117.03368	5.9
121.02865	7.3
123.04409	49.8
124.29179	1.9
129.05440	33.5
134.06056	2.2
135.04379	19.7
135.97522	2.0
137.02322	7.1
139.03871	27.2
143.04884	7.4
145.02820	5.4
147.04402	3.3
147.06528	3.8
151.03906	2.5
153.06964	3.2
157.04971	9.3
161.05975	14.1
163.03873	84.9
165.01802	3.0
177.05435	4.5
177.06949	4.9
187.03867	3.0
189.05397	5.3
195.08029	2.4
203.03319	13.5
204.07693	3.1
205.04932	3.2
205.06502	21.5
209.04367	13.1
223.07501	20.0
227.05458	29.0
233.06065	15.5
237.05583	4.2
245.06522	4.0
251.06996	43.3
255.06519	7.1
261.05475	4.3
269.08078	19.7
273.06012	100.0
279.06503	64.3
283.05756	3.9
297.07526	54.1
297.26437	2.2
299.09161	5.7
307.05988	11.3
308.06619	2.5
325.03223	4.3
325.06985	42.6
339.07217	2.5
343.08066	12.9
457.20795	2.6
499.12643	10.0
517.12927	4.5
527.62091	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	517.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64930	1.1
55.88029	1.2
56.96555	1.5
69.03410	3.0
71.67982	2.4
72.08124	2.6
73.81653	1.2
85.02867	2.1
89.03899	6.0
97.02859	1.0
98.97574	2.6
107.05070	1.2
111.04432	2.0
117.03365	4.6
127.03899	2.7
135.04405	14.9
136.07628	1.3
139.03888	1.5
145.02853	8.7
163.03879	100.0
164.04213	2.5
164.07039	3.0
279.06442	1.6
298.73380	1.3
319.12885	1.2
331.34720	1.2
369.35928	1.2
401.01273	1.3
534.05188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.155
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39232	0.5
67.05499	1.0
69.03405	1.7
70.33121	3.0
79.05473	1.2
83.04968	1.0
85.02877	1.2
89.03909	6.3
95.04956	0.9
97.02818	0.9
99.00795	1.1
107.04941	2.1
111.04411	1.5
117.03368	7.2
119.04872	0.6
123.04399	1.7
135.04391	17.5
137.02290	0.8
139.03859	0.9
145.02841	10.8
163.03879	100.0
163.80669	0.5
164.04195	1.1
203.03371	1.7
205.06503	1.3
223.07410	0.7
237.05415	0.8
240.92570	0.6
251.06981	2.2
269.07840	0.9
273.06042	1.1
279.06488	9.2
297.07513	4.5
307.05832	1.1
325.06924	1.3
343.08087	1.2
430.56839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03385	1.0
69.33201	5.7
70.06532	0.8
71.04953	0.5
72.40289	0.5
73.59057	0.5
81.07020	1.0
84.08125	0.5
85.02850	0.7
93.06991	0.6
95.04890	0.8
105.06987	0.7
105.59314	0.5
109.10103	0.6
116.93903	0.5
120.08050	0.5
137.09541	0.7
147.04436	0.7
173.04202	1.1
223.09389	28.6
241.09116	1.3
265.10315	0.7
293.13492	2.3
309.13016	16.4
310.13345	0.5
337.12476	8.9
355.13577	100.0
356.13998	2.6
385.14630	1.5
499.17868	1.4
517.18866	85.1
518.19421	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	517.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18317	3.9
53.03936	7.6
55.01870	8.2
55.05494	23.0
57.03422	10.1
57.07064	6.9
58.77430	4.5
59.04998	4.3
61.02907	12.3
64.98989	3.8
67.05499	29.8
69.03411	44.4
69.07052	79.5
70.06580	16.7
70.17218	18.9
71.04976	16.6
73.02898	6.9
75.30145	4.6
79.05472	26.0
81.03421	21.8
81.07040	100.0
81.07486	8.4
83.04961	47.4
83.08605	6.3
84.08131	5.4
85.02890	63.6
85.06541	4.7
86.09699	6.4
87.04446	4.9
91.03952	4.8
91.05464	19.2
93.07028	64.4
95.04951	25.0
95.08588	68.3
97.02893	29.8
97.06505	47.0
97.10149	13.9
98.21362	7.0
99.04439	5.6
105.06997	45.9
106.06496	6.5
107.04935	19.0
107.08581	42.4
109.02859	13.0
109.06489	14.4
109.10146	32.6
111.04451	5.0
111.08051	7.7
111.11731	14.0
114.09846	4.4
116.66683	4.0
119.08533	33.2
121.06501	9.6
121.10109	50.6
123.04412	7.8
123.08062	19.1
123.11672	46.9
124.03957	7.5
125.05996	17.7
125.09621	5.8
127.03906	17.2
129.33495	4.1
131.07669	4.7
131.08514	26.1
133.10104	24.5
135.08037	20.3
135.11691	12.7
137.06000	7.9
137.09613	18.7
137.13260	5.4
139.11128	37.4
143.08543	9.4
145.02908	6.9
145.04884	6.1
145.10078	23.1
147.11646	16.2
149.09624	18.2
149.13257	6.7
151.03915	22.8
151.11166	6.2
155.10655	7.0
157.10097	8.6
157.12224	13.5
159.11678	18.7
160.07507	8.7
161.13260	9.0
163.03893	13.0
163.07533	4.5
163.11154	21.0
165.09090	7.8
166.08690	28.7
167.10641	30.6
169.10147	4.9
173.13281	7.9
175.11130	5.8
175.14867	6.0
183.13751	6.0
185.11766	6.7
185.13223	8.0
187.11139	5.0
193.15881	7.8
199.14723	5.0
201.16405	18.2
203.14319	9.9
211.14790	15.3
213.10219	6.6
219.10172	21.0
219.17470	11.1
220.09634	11.6
221.15340	5.8
223.17104	5.0
227.08142	9.1
228.06660	5.7
229.15842	20.8
235.16862	13.9
246.07629	11.5
247.16859	38.4
251.08417	5.1
259.10846	6.7
264.08588	5.3
265.17914	68.2
269.09183	15.0
283.10809	5.4
287.10202	8.7
301.11682	22.7
301.21390	7.7
303.13336	28.5
311.10211	11.4
319.22662	12.6
329.11304	55.9
337.23669	26.6
347.12396	14.6
355.24756	11.0
361.13907	43.4
391.03253	6.6
481.02621	4.7
517.23181	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	517.315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.7
57.03407	1.7
61.02896	2.5
65.03924	3.1
67.05145	1.4
67.05489	24.1
67.73551	1.5
69.07041	2.3
70.06517	1.8
71.04958	4.6
71.69984	2.5
79.05465	11.7
81.03392	2.6
81.07034	13.5
83.08577	2.5
85.02893	4.0
85.06509	5.8
89.74648	1.5
91.05460	11.7
93.07032	17.5
95.04961	16.4
95.08581	11.7
97.06485	5.9
105.07018	13.4
107.04939	2.4
107.08569	15.9
109.06483	4.9
109.10134	14.3
113.05981	13.3
117.06991	6.5
119.08588	10.2
121.06464	1.5
121.10124	18.8
123.08044	3.5
123.11678	3.0
125.09591	1.4
128.06200	1.9
129.06943	5.4
131.08545	18.6
133.10106	18.3
135.11656	4.0
137.05917	1.8
141.06949	2.7
142.07721	4.2
143.08557	8.5
145.10088	18.8
147.04353	1.9
147.11650	23.3
149.09573	4.1
149.13260	1.9
151.11153	4.1
155.07045	2.9
155.08528	5.5
157.10094	40.9
159.11646	24.1
161.13235	1.6
163.11145	3.5
168.09360	1.5
169.10057	5.0
171.11661	11.3
173.13196	7.3
175.11143	9.6
177.12660	1.8
182.47961	1.5
183.11662	7.2
183.97632	1.5
184.07359	2.9
185.13156	4.8
187.14711	1.4
191.28763	1.5
193.62022	1.3
197.13283	11.9
199.14713	3.1
201.07359	2.3
211.14833	8.4
213.16374	3.8
223.14780	2.2
224.15590	2.8
225.16319	4.1
238.17180	1.7
245.19064	1.4
251.17924	1.9
253.19466	60.1
255.20984	1.8
271.20508	100.0
272.20819	1.5
281.22610	1.8
355.26193	3.0
377.28409	3.3
395.29370	52.9
396.29544	2.9
413.30060	2.8
481.29376	1.9
499.30402	25.6
517.31287	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	517.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39129	1.3
55.05492	3.7
57.03414	1.4
61.04232	1.2
64.04734	1.4
65.03922	2.6
67.05493	24.1
69.07049	3.0
71.04977	2.9
71.67941	1.8
74.32519	1.4
79.05480	9.9
81.07042	13.5
83.08624	1.7
85.06530	6.2
86.09691	8.1
91.05466	10.0
93.07031	14.6
95.04953	19.9
95.08595	14.5
97.06510	5.7
97.10161	1.4
102.42502	1.5
105.07008	16.5
107.04953	2.0
107.08580	17.7
109.06519	6.7
109.10141	17.1
111.08028	2.1
113.05992	12.3
117.06998	5.0
119.08556	11.1
121.10126	23.8
122.61288	1.3
123.08018	4.1
123.11648	3.6
124.99976	6.3
125.09587	1.9
128.06172	1.7
129.06985	8.4
131.08539	13.1
133.10103	21.6
135.11668	5.6
141.06973	2.0
142.07751	6.9
143.08519	13.1
145.10104	20.4
147.04480	1.9
147.11659	23.5
149.09596	3.2
151.11168	4.3
155.07031	1.8
155.08562	4.8
157.10098	48.2
157.64410	1.4
159.11688	25.8
161.13213	3.0
163.11179	2.2
169.10129	4.4
171.11678	12.0
173.13193	7.1
175.11171	10.2
177.12721	2.0
182.10986	1.5
183.11664	5.8
184.07281	18.1
185.07668	3.2
185.13268	6.3
186.14090	1.9
187.14809	2.1
194.37576	1.6
195.11638	2.6
196.12369	1.9
197.13266	9.3
198.14009	1.6
201.07587	2.2
209.13219	1.9
211.14792	8.6
213.16371	3.0
223.14798	1.9
224.15526	1.7
225.16371	4.7
229.10706	2.3
238.17268	1.6
242.16756	1.3
251.17938	2.0
253.17317	1.2
253.19476	65.7
271.20529	100.0
323.23422	1.7
327.23260	2.1
355.26395	2.3
377.28305	2.2
395.24182	2.9
395.29385	59.6
396.29410	2.3
413.30560	4.0
414.30621	1.6
474.31369	1.4
481.29446	1.5
499.30515	31.6
500.30875	2.0
517.31152	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	517.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43558	2.1
55.05503	9.5
55.86569	2.3
58.06590	3.0
60.08152	11.3
67.05497	24.5
69.07045	4.2
70.16386	2.3
70.46690	2.1
70.52650	5.2
70.53042	5.2
71.04987	2.9
71.07359	4.6
79.05481	18.4
81.03420	2.3
81.07040	23.8
83.04989	2.9
83.08604	2.4
85.06534	5.7
86.09697	30.5
87.00868	3.8
87.10030	8.2
91.05019	2.2
91.05476	18.3
93.07049	20.6
95.04955	21.9
95.08583	14.1
97.06535	9.1
98.21381	2.7
98.28416	2.2
98.98469	3.5
104.10732	64.6
105.07028	19.7
105.11081	14.1
107.04931	5.3
107.08572	19.9
108.42516	2.2
109.06500	3.7
109.10152	19.2
113.06010	16.7
115.05394	2.6
117.06997	5.9
119.08566	14.7
121.10118	23.7
123.04417	3.3
123.11722	3.4
124.99994	20.0
125.09608	3.8
128.06192	4.0
129.06985	9.8
131.08546	16.9
133.06453	3.1
133.10095	19.9
133.12361	2.4
135.11667	7.0
137.09613	2.7
141.06989	2.6
142.07747	3.6
143.08551	7.4
145.10092	17.8
147.04424	5.5
147.11682	24.9
149.09677	2.5
151.11189	3.5
155.08545	6.0
157.10097	49.8
159.07994	2.9
159.11653	30.3
161.13194	4.7
169.10097	4.9
171.11685	14.7
173.13239	7.4
175.11185	10.0
183.11685	10.2
184.07339	61.3
185.07733	16.4
185.13229	8.2
195.83513	2.5
197.13214	13.3
202.80469	2.3
209.13280	2.3
211.14778	11.5
224.15430	3.1
225.16394	5.9
229.10846	2.7
233.15166	2.7
238.17256	3.2
253.19496	72.6
253.22060	4.9
271.20551	100.0
355.26047	3.9
395.29428	51.0
499.30444	36.7
517.31250	26.6
523.55011	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	517.3879
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03936	2.6
53.19848	0.7
55.01867	1.2
55.05239	0.9
55.05503	14.7
57.03422	5.1
57.07064	2.1
60.66756	1.0
65.03916	2.0
67.05495	29.9
69.07057	14.9
71.04978	1.5
79.05480	25.7
81.07042	39.0
83.04967	1.5
83.08614	8.6
85.06534	1.9
91.05461	19.2
92.96476	0.7
93.07029	33.8
95.01604	1.3
95.04961	1.7
95.08588	27.3
97.06504	3.0
97.10146	4.5
99.08061	1.0
103.05481	1.2
105.04481	0.8
105.07009	26.2
107.08571	21.5
109.06502	1.4
109.10130	13.4
111.08086	1.8
111.11675	1.1
115.05421	1.2
117.07004	8.8
119.08562	27.7
121.10130	16.0
121.45580	0.8
123.08038	1.6
123.11687	4.9
125.09618	1.5
129.06985	4.7
131.08546	16.8
133.10107	17.2
135.11676	10.7
137.09546	1.3
137.13179	0.9
141.06992	1.1
142.07780	0.8
143.08521	5.8
144.09396	0.8
145.06761	0.8
145.10109	16.6
147.11665	12.6
149.09563	1.5
149.13197	7.2
155.08540	2.9
157.10126	7.4
159.11678	14.4
161.13203	7.2
161.98112	0.7
163.11206	1.0
163.14824	2.6
165.12756	0.9
167.08383	0.8
169.10114	3.2
169.44112	0.7
171.11687	6.4
173.13252	9.5
175.14772	4.1
177.12785	1.1
181.10152	2.1
183.11635	3.6
185.13226	5.0
187.14801	5.1
189.16385	2.1
191.14265	1.2
193.10056	0.9
195.11714	1.8
197.13190	3.4
199.13205	1.1
199.14819	3.2
201.16425	2.4
203.14223	1.1
207.11684	1.3
209.13274	1.7
211.14868	2.5
213.14691	1.5
213.16481	1.6
215.17920	1.5
217.19394	0.8
219.17326	0.9
223.14862	1.4
225.16379	1.8
227.18163	1.2
233.19054	0.8
237.16351	1.0
239.16298	1.6
241.17896	2.4
241.19838	1.3
245.18927	1.3
255.21165	1.0
259.20468	3.4
269.22528	1.0
271.20670	0.8
273.18359	0.9
273.22079	1.1
277.21790	1.1
281.20975	1.3
287.23773	2.1
299.23679	2.1
301.25110	1.3
303.23364	1.1
313.25214	2.7
317.24710	0.9
327.27023	0.9
331.26337	0.9
333.24384	2.0
347.25800	0.8
361.52026	0.8
389.26407	0.9
391.28345	1.2
405.29895	1.8
407.28162	1.0
407.33002	6.4
419.31750	0.9
425.34116	12.9
443.35172	8.0
461.36331	1.1
481.36771	1.3
499.37833	20.4
517.38885	100.0
518.39154	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	517.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.8
55.01863	1.0
55.05232	1.1
55.05499	16.1
57.03431	4.3
57.07059	3.1
61.17763	1.0
65.03916	1.1
67.05138	2.0
67.05492	33.3
67.14577	0.9
69.07057	15.5
71.04966	2.4
73.06548	1.0
79.05479	24.3
81.07044	41.4
83.04977	1.6
83.08605	7.5
85.06512	1.6
91.05467	22.2
92.90691	0.9
93.07029	33.4
95.04943	2.8
95.08589	31.9
97.06526	2.7
97.10154	4.6
99.08050	1.3
105.07008	27.2
107.08575	21.0
109.06511	1.8
109.10146	13.6
111.08083	2.4
112.99998	0.9
117.06989	8.5
119.08563	26.4
121.10121	18.4
123.08017	2.0
123.11713	4.4
125.09598	1.3
129.07013	5.6
131.08551	16.2
131.09479	1.6
133.10109	22.1
135.11662	9.0
137.09573	1.3
137.13210	1.2
139.11174	0.8
143.08522	6.6
144.09233	0.9
145.10107	18.0
147.11653	14.6
149.09593	1.0
149.13251	6.0
155.08568	1.3
157.10118	5.8
159.11673	13.9
161.13240	8.1
163.11128	1.4
163.14844	3.3
169.10115	3.7
171.11664	5.7
173.13206	9.4
175.14835	3.8
177.12828	1.1
177.16331	1.1
181.10182	0.9
183.11671	2.1
185.13266	4.3
187.14804	6.3
189.16335	2.8
195.11673	1.0
197.13310	2.7
199.14815	3.8
201.16417	2.8
203.14297	1.4
211.14754	2.1
213.16444	1.9
215.18007	1.4
221.13106	1.1
221.15463	1.2
223.14713	1.4
225.16367	1.5
227.18040	1.0
233.18942	1.1
241.17941	2.8
241.19931	1.1
247.20483	1.1
249.15932	0.9
255.21298	1.1
257.18936	1.0
259.20474	3.9
261.21872	1.2
264.53558	0.9
273.22113	1.7
275.20123	0.8
277.21558	1.5
285.22153	1.3
287.23642	2.0
299.23740	1.7
301.25171	1.3
303.23349	1.6
311.23901	1.2
313.25262	3.1
317.24814	1.3
327.26749	1.1
331.26498	1.0
333.24265	1.7
335.25995	1.0
343.26227	1.3
345.28036	1.6
369.28262	0.9
405.29904	3.0
407.32944	4.2
425.34183	14.4
443.35318	6.4
447.31073	1.1
481.36829	1.5
499.37814	18.8
517.38806	100.0
518.39227	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	517.3881
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03936	2.0
55.01861	1.1
55.05502	13.1
55.77988	0.8
57.03423	3.6
57.07054	1.7
65.03929	0.9
66.30968	0.8
67.05496	31.6
69.07056	14.8
69.43829	7.9
71.04970	1.5
71.08617	0.9
73.06533	0.7
79.05024	1.2
79.05481	22.1
81.07043	32.5
82.99647	0.8
83.04965	2.3
83.08611	8.7
85.06522	1.0
91.05461	21.4
93.07027	28.7
95.04124	0.8
95.04944	2.7
95.08593	25.9
96.30643	0.8
97.06490	2.1
97.10159	3.8
98.20670	2.0
99.08099	1.1
103.05473	1.3
105.07011	23.6
107.04930	1.1
107.08575	18.8
109.06484	1.8
109.10134	12.5
111.08015	1.7
112.99985	1.5
117.06981	8.5
118.39874	0.8
119.08563	23.6
121.10126	14.6
123.08015	0.9
123.11703	3.2
124.20503	1.0
125.09572	1.1
129.06993	3.4
131.08557	15.9
133.10110	17.8
135.08026	0.8
135.11691	9.1
143.08543	5.6
144.86270	0.8
145.10112	16.7
147.11673	12.3
149.09589	1.7
149.13266	5.2
155.08533	1.6
157.10121	6.0
159.11658	11.3
161.13243	6.1
163.11125	0.8
163.14818	3.1
169.10143	2.2
171.11685	5.0
173.13225	7.3
175.14815	3.6
177.16330	1.0
183.11690	2.1
185.13249	5.1
187.14783	4.1
189.16391	2.3
191.14256	0.9
197.13277	1.8
199.14833	2.9
201.16383	2.5
209.13339	1.1
211.14778	1.4
213.16425	1.7
215.17967	1.5
217.16129	1.0
219.17549	1.1
227.18066	1.3
233.18997	1.3
239.17987	1.0
241.17964	2.4
243.17516	0.8
245.19017	1.1
249.18565	1.0
259.20627	2.5
261.22125	1.2
273.22220	1.4
285.22137	1.8
287.23666	2.3
299.23816	1.9
301.25143	1.9
313.25317	2.3
315.23199	1.3
317.24820	1.2
319.26019	0.9
331.25955	0.9
333.24091	2.2
355.26312	1.1
361.27774	1.0
391.28378	0.9
405.30038	2.2
407.33188	5.1
419.31531	1.5
425.34097	12.6
433.29050	1.0
443.35022	7.0
459.34576	1.0
461.36142	2.5
463.36133	1.0
481.36655	1.2
483.10217	1.0
499.37796	18.6
517.38818	100.0
518.39276	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3881
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.08995	0.8
51.02374	1.1
53.03931	2.2
55.01855	0.9
55.05502	15.2
57.03429	5.6
57.07062	1.6
59.04989	1.0
59.95650	0.9
67.05492	32.8
69.07053	14.4
71.04974	2.0
71.08613	1.0
79.05019	1.6
79.05479	23.7
81.07039	33.0
83.04958	1.6
83.08608	9.7
85.06525	2.4
91.05463	19.8
93.07027	28.1
95.04970	2.9
95.08590	27.4
95.09196	1.3
96.27784	0.8
97.06504	3.7
97.10163	4.3
99.08096	1.3
105.07010	26.0
107.08572	21.6
109.06496	2.0
109.10138	14.6
111.08086	2.0
113.00027	1.2
116.25948	0.8
117.07011	9.4
119.08553	26.0
121.10123	18.8
123.08048	2.7
123.11687	3.5
123.66317	1.0
129.06969	4.6
131.08548	18.5
131.09459	1.5
133.10103	20.7
135.11678	8.7
137.09645	1.3
137.13225	1.1
139.11209	1.0
141.07030	1.4
143.08546	7.2
145.10094	16.9
147.11659	14.1
149.09581	1.8
149.13248	7.2
155.08511	2.3
157.10120	5.9
159.11676	14.4
161.13237	8.3
163.11125	1.7
163.14839	3.5
169.10124	2.7
171.11642	6.8
173.13223	10.1
175.11205	0.9
175.14772	5.3
179.14333	0.9
181.10104	1.1
183.11693	2.3
185.13211	5.4
187.14832	4.6
189.16414	2.0
191.14197	1.1
197.13245	1.8
199.14839	3.5
201.16377	1.6
203.18095	1.3
211.14682	2.0
213.16426	2.6
215.17886	1.5
219.17508	1.3
225.16498	1.0
227.16130	1.2
227.18124	0.9
231.17418	1.7
239.18097	1.1
241.17677	4.5
245.19095	1.7
257.18967	1.7
259.20609	3.2
273.21994	1.0
287.23804	2.2
289.21582	0.9
299.23718	2.5
301.25153	1.0
313.25134	1.4
317.24948	1.0
319.26459	1.0
331.26242	2.0
361.27521	0.9
391.28467	1.1
405.30005	3.3
407.28091	1.0
407.32846	4.1
425.34033	15.3
443.35120	6.6
461.36520	1.5
499.37854	19.2
517.38849	100.0
518.39386	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	518.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01849	2.3
57.03400	2.2
61.02906	3.6
63.16665	0.7
69.03422	8.0
69.86552	3.3
71.05005	0.7
73.02901	1.2
79.94072	0.7
81.03396	2.8
83.04962	1.1
85.02889	31.7
93.03451	0.7
97.02874	10.2
98.03142	0.7
98.21430	1.4
98.57780	0.9
99.04420	1.2
101.02322	0.9
107.04910	1.2
107.86810	0.8
109.02852	3.7
111.04400	1.0
115.69205	0.8
117.03344	0.9
121.02834	0.9
123.04418	4.4
127.03888	6.0
131.04892	1.9
135.04387	2.6
139.03868	2.1
145.02815	1.5
145.04948	7.2
147.04366	12.9
149.02298	4.2
150.12445	0.9
159.04410	1.6
161.05981	1.5
163.02487	0.9
163.03876	16.6
163.05962	0.8
164.04237	1.4
165.05418	1.0
167.05716	0.8
175.03912	2.3
177.01843	5.0
177.05453	3.0
180.08623	2.4
187.03848	3.3
189.05424	2.3
191.03320	0.9
194.84998	0.9
203.03362	100.0
204.03732	1.3
205.04971	7.8
206.06825	1.0
215.03406	7.7
219.02802	1.0
221.04385	1.0
229.04886	2.4
231.02881	13.0
233.04323	6.9
252.07341	1.4
259.05899	1.7
261.03903	10.0
269.46201	0.8
270.08209	0.9
273.94995	0.7
274.06238	0.8
279.04910	17.7
280.06870	1.6
291.04947	26.9
297.07413	0.9
298.07883	1.1
299.06027	0.9
303.05063	1.6
321.05988	9.4
326.07071	1.1
339.07059	31.6
341.34305	0.8
356.09641	2.9
518.14874	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.6
55.05510	1.3
61.73926	1.3
67.05485	2.4
69.03423	1.9
69.07053	2.8
69.94585	1.2
70.06580	17.7
71.70321	2.1
81.07041	4.5
83.04963	2.6
85.02885	4.0
85.73820	1.2
93.06992	3.4
95.04929	2.0
95.08611	3.2
97.02887	2.8
105.07022	1.7
106.06534	2.8
106.43645	1.4
107.08589	1.6
108.08107	1.6
109.02885	1.3
109.10157	2.2
112.95031	1.4
119.08560	1.9
119.31874	1.3
121.10173	2.0
122.06004	3.0
123.04408	2.8
123.08027	1.3
123.11683	2.3
127.03844	1.5
132.08087	1.9
136.07555	2.6
140.07056	2.5
146.09618	3.4
147.04378	2.0
148.07524	2.4
149.09665	1.2
151.03871	13.5
158.09679	1.7
160.07521	11.7
161.08246	1.7
163.03888	2.0
163.11101	1.6
164.07040	8.3
166.08607	46.9
172.07559	1.7
174.09158	6.4
177.05461	1.2
178.08708	3.3
179.21931	1.1
192.10176	2.2
198.09222	2.3
198.24072	1.2
199.08656	5.0
200.07088	2.0
201.10202	1.6
202.08560	3.5
213.10193	7.8
214.08414	1.3
215.08064	2.1
215.11736	3.7
218.07999	2.1
219.10120	17.4
220.09665	27.5
221.15466	1.6
223.08571	2.1
226.08585	2.5
227.08113	6.7
228.06544	2.4
237.10222	4.8
237.18419	1.7
240.10155	2.2
241.09727	12.0
242.10376	2.0
243.11241	11.0
245.09248	3.2
246.07552	11.1
246.09738	1.7
251.08127	3.0
255.11263	7.2
259.10776	9.6
264.08588	3.7
265.09692	5.5
265.18121	2.1
267.11340	2.0
268.09619	3.9
269.09225	16.5
270.07523	2.9
273.12344	3.4
283.10690	10.7
285.12357	10.7
286.10751	2.4
287.10239	16.6
287.13748	3.4
299.10938	1.3
301.11786	29.8
303.13342	44.0
311.10226	15.3
323.16116	2.3
329.11267	100.0
330.11310	1.9
347.12338	34.5
361.13882	85.4
362.14459	2.2
468.17532	5.1
470.74820	1.5
486.18585	6.9
518.29102	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.0
56.05015	1.0
57.03418	0.5
57.07051	0.2
58.06558	1.3
59.07371	0.4
59.79647	0.2
60.08151	17.7
67.05485	2.8
69.07040	0.6
70.01402	0.9
70.06579	0.3
71.07358	7.5
79.05468	1.8
81.07037	2.1
86.09687	53.6
91.05452	1.2
93.07031	1.7
95.08587	1.6
98.98449	4.2
104.10719	98.5
105.06990	0.5
105.11044	0.4
107.08577	0.7
109.10100	0.4
112.84878	0.2
119.08588	0.4
121.10109	0.6
124.99976	29.9
131.08511	0.2
134.60077	0.2
143.01071	0.2
163.01508	0.7
181.02600	0.2
184.07303	100.0
185.07661	0.7
258.10953	1.1
321.50473	0.2
335.25681	0.9
338.84415	0.2
355.43335	0.2
441.23718	0.4
500.31198	8.1
518.32318	20.3
519.32501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05025	0.5
57.03413	0.1
58.06302	0.2
58.06619	0.4
59.07382	0.1
60.08154	6.7
61.14643	0.1
67.05510	0.6
69.07043	0.2
70.06595	0.1
70.09528	0.3
71.07361	3.2
79.05484	0.3
80.97381	0.1
81.07034	0.5
86.09692	31.8
87.09992	0.1
91.05487	0.1
93.07036	0.3
95.08585	0.3
98.98448	3.2
104.10726	3.2
104.91445	0.1
105.35497	0.1
107.08549	0.1
121.10223	0.1
124.99982	22.6
133.10004	0.1
133.76404	0.1
143.01031	0.3
184.07312	100.0
185.07692	0.5
242.08257	0.1
243.91335	0.1
257.10873	0.1
258.11069	0.2
322.89249	0.1
335.25723	0.3
386.54013	0.1
500.31189	0.8
518.26581	0.1
518.32404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09031	0.4
53.03939	0.5
57.03426	0.6
59.06091	0.4
62.52452	0.4
63.52218	0.4
65.03915	0.7
67.05494	1.0
69.03403	1.9
69.07042	0.4
70.06561	0.8
70.54377	1.5
71.04996	0.4
73.02900	0.5
76.66357	0.4
79.05488	0.9
80.05019	0.5
81.03394	1.6
81.07047	0.7
84.08118	0.8
85.02882	2.5
85.07632	0.5
89.03897	1.0
89.41157	0.5
91.05413	0.9
93.07014	1.5
93.75050	0.4
94.06546	1.6
95.05006	0.4
95.07335	0.8
96.08099	1.9
97.02873	3.3
97.06509	0.4
107.04964	0.5
108.08093	2.0
109.02851	1.3
109.10136	0.7
110.09648	3.5
115.92506	0.4
116.04971	3.9
120.04453	0.7
120.08094	2.6
121.10168	0.6
122.06018	4.1
123.04379	0.4
126.10236	4.1
127.03858	1.3
127.10593	1.4
134.06021	0.6
136.07545	5.3
137.05981	0.9
137.09586	1.9
138.09103	4.0
144.04420	8.9
146.05943	2.0
148.03909	1.9
148.07544	1.7
152.07005	0.5
162.05464	4.5
163.03891	0.7
165.09082	1.9
166.04979	0.9
166.08606	10.9
167.05548	1.3
172.03900	48.6
173.04294	0.7
174.05478	1.6
184.39546	0.4
190.04962	10.4
204.06526	100.0
205.06831	1.3
209.05914	0.5
222.07559	1.0
251.11702	0.9
266.99936	0.5
271.05856	1.3
283.10718	1.1
297.12149	0.6
299.06097	1.7
321.11380	0.6
325.11624	2.0
329.14954	1.3
334.09195	2.6
339.13260	2.2
343.12753	1.1
344.97644	0.4
357.14493	12.5
358.14914	0.4
366.11737	0.5
487.16791	1.7
501.18381	1.0
519.20691	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	519.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03934	2.7
55.01862	3.7
55.05508	1.5
57.03424	2.8
60.08148	1.5
61.02919	2.4
65.03913	0.5
67.05491	6.2
68.99776	1.7
69.03416	16.5
69.07061	1.2
69.54497	1.7
70.75555	0.2
71.01324	0.4
71.04982	2.4
71.07343	0.5
73.02905	4.1
79.05473	5.8
81.03402	19.9
81.07040	9.7
83.01331	0.5
83.04981	0.3
83.08602	1.0
85.02888	31.2
86.09695	4.9
87.00812	13.4
87.04446	0.5
87.10026	1.2
91.03954	1.2
91.05453	7.5
93.07025	7.9
94.07325	0.2
95.04961	0.9
95.08586	6.0
96.37006	0.2
96.93984	0.2
97.02874	10.8
97.10178	0.2
98.98453	0.7
99.04437	7.0
101.02366	0.5
103.03936	0.5
103.05474	0.4
104.10699	0.4
105.01846	9.4
105.07009	13.0
105.11055	0.2
107.04976	0.4
107.08576	8.2
109.02856	19.0
109.06454	0.4
109.10134	7.8
111.04414	0.2
115.03913	1.0
115.05438	0.9
117.01832	2.4
117.06994	4.2
119.08564	5.9
121.10120	10.9
122.10389	0.2
123.11675	2.0
124.99978	3.6
126.00290	0.2
127.03889	29.8
128.04240	0.3
128.06177	2.6
129.01817	2.3
129.06972	5.6
130.07736	0.8
131.08537	9.6
132.08984	0.2
133.10101	9.6
135.11655	2.5
141.06953	2.6
142.07755	5.9
143.08539	10.8
144.09311	0.8
145.04927	9.9
145.10092	12.4
147.02875	2.0
147.11656	16.8
149.13205	1.3
154.07823	0.3
155.08536	4.9
156.09332	0.6
157.10094	33.7
158.10513	0.8
159.02861	11.5
159.11662	14.6
160.56332	0.2
161.13229	2.6
167.05490	0.4
167.08566	0.7
168.09320	0.8
169.10098	4.3
170.10861	0.5
171.11656	9.4
173.13222	5.9
175.11116	0.4
177.03912	0.4
181.10141	1.0
182.10822	1.2
183.11662	5.4
184.07312	17.7
184.12312	0.5
185.07675	3.6
185.13216	4.1
186.13959	0.6
187.14821	1.0
189.03888	0.9
195.11655	1.4
196.12474	1.2
197.13222	8.5
198.13965	0.9
199.10966	0.2
199.14777	1.2
209.13196	1.5
210.14041	0.4
211.14775	6.7
212.15469	1.0
213.03891	1.4
213.16315	0.4
219.04857	0.2
223.14786	1.6
224.15509	1.9
225.16339	3.7
231.04967	5.6
238.17102	2.7
239.17824	0.4
249.05933	0.3
251.17955	2.2
253.19463	100.0
254.19817	2.4
255.21028	2.4
263.17987	0.2
265.19455	0.7
269.18921	1.0
271.20517	7.9
277.19586	0.2
295.20541	0.7
299.06097	0.4
475.26782	0.4
481.58600	0.2
483.23856	0.3
501.24884	1.3
501.31595	0.3
519.25818	6.9
519.32745	0.4
520.26105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01861	3.3
55.05490	2.1
57.03427	2.7
61.02916	2.4
63.32254	0.2
65.03931	0.4
66.04726	0.3
67.05486	7.0
68.99780	1.9
69.03416	18.2
69.07068	1.4
71.01328	0.4
71.04968	2.1
71.67965	0.3
73.02905	3.8
77.03933	0.3
77.88115	0.3
79.05473	5.9
81.03402	18.4
81.07040	10.2
83.01314	0.5
83.08610	1.0
84.08152	0.2
85.02888	33.5
85.37564	0.3
87.00811	11.6
87.04446	0.7
91.03946	1.4
91.05443	8.4
93.07025	8.1
95.04941	1.0
95.08582	5.9
97.02874	11.5
97.06520	0.4
99.04438	7.6
101.02376	0.5
103.03909	0.7
103.05418	0.3
105.01849	9.5
105.07008	13.5
107.04965	0.3
107.08572	8.1
109.02859	18.4
109.06467	0.3
109.10136	7.5
115.03897	1.1
115.05438	1.2
116.06242	0.3
117.01844	2.1
117.07002	4.1
119.08558	5.7
121.06490	0.3
121.10117	9.4
123.11686	2.1
127.03893	29.2
128.04303	0.4
128.06177	2.3
129.01801	2.6
129.05527	0.3
129.06978	6.4
130.07794	0.6
131.08545	10.1
133.10098	10.1
135.11684	2.2
141.06949	2.6
142.07748	6.8
143.08534	10.5
144.09294	1.1
145.04932	8.8
145.10091	12.0
147.02849	2.1
147.11658	17.5
148.12019	0.4
149.09583	0.3
149.13210	1.7
153.06931	0.3
154.07683	0.5
155.08533	4.5
156.09326	0.6
157.10098	33.6
158.10583	0.5
159.02853	12.0
159.08009	0.3
159.11670	15.6
160.03175	0.3
161.13223	2.1
167.05586	0.7
167.08537	0.8
168.09311	0.8
169.10121	3.9
170.10782	0.4
171.11658	10.3
173.11711	0.4
173.13219	7.1
175.11188	0.3
177.03906	0.8
181.10075	1.2
182.10855	1.1
183.11662	5.4
183.13312	0.3
184.12378	0.4
185.13226	4.5
186.13962	0.4
187.06110	0.3
187.11230	0.3
187.14769	1.0
189.03934	0.8
195.11688	1.3
196.12479	1.2
196.50336	0.2
197.13216	8.8
197.74408	0.3
198.13982	0.8
199.14806	0.8
201.03918	0.3
206.10992	0.3
209.13194	1.6
210.13963	0.4
211.14780	6.6
212.15585	1.1
213.03813	1.3
213.16374	0.5
221.13213	0.3
223.14845	2.0
224.15619	1.8
225.16336	3.3
231.04950	5.8
237.16269	0.4
238.17110	3.0
239.17868	0.5
249.05957	0.5
251.17906	2.2
253.19469	100.0
254.19818	2.5
255.21060	2.2
265.19708	0.3
269.18835	1.2
271.20505	8.5
277.19391	0.3
283.03094	0.2
294.15726	0.3
295.20560	0.9
299.06082	0.7
313.21463	0.4
444.39911	0.3
475.26807	0.5
483.23727	0.3
501.24802	1.1
519.25793	8.4
520.26227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30800	2.5
50.41222	2.3
53.22469	2.3
55.01848	5.3
55.05504	15.5
57.03425	4.3
57.07053	6.1
61.02916	4.3
67.05491	24.4
67.64736	2.6
69.03398	10.9
69.07067	18.0
70.06595	2.8
70.88460	8.3
71.04958	6.0
73.04739	3.3
79.05476	17.0
81.03401	10.2
81.07043	100.0
83.04960	19.3
85.02884	27.7
85.06506	6.0
85.37840	2.9
86.09692	4.0
91.05406	4.6
91.05841	4.0
93.07045	15.8
95.04941	8.8
95.08595	27.0
97.02851	10.0
97.06516	5.7
97.10136	10.7
99.04469	3.6
99.08044	3.1
102.51464	2.4
105.07007	16.4
107.04895	4.0
107.08587	15.7
109.02857	4.9
109.06483	8.7
109.10131	23.2
111.08081	5.8
117.03329	4.9
119.08541	11.2
121.10117	15.1
123.04397	3.3
123.08037	3.4
123.11687	70.8
125.05925	3.3
126.29294	2.3
127.03926	4.3
129.06911	2.5
131.08539	5.6
133.10129	6.0
135.04375	5.8
135.08029	4.0
135.11658	4.2
137.05943	3.7
137.09630	14.7
139.11124	7.2
141.12724	14.2
143.08559	3.3
145.02826	3.2
145.04887	4.5
145.10072	4.1
147.11641	6.3
149.13211	3.8
153.09070	3.2
157.10077	5.7
159.11647	3.7
161.05968	4.0
161.09547	2.9
161.13167	4.0
162.05502	4.2
163.03870	35.1
165.09102	5.4
165.12698	2.8
167.05544	7.8
169.12228	3.7
173.13084	2.8
177.49561	2.3
178.04950	5.9
187.13261	25.7
201.16364	4.7
208.05992	2.8
213.16364	5.4
214.18066	3.8
221.18965	4.4
222.35936	2.4
223.16925	7.1
231.17529	3.4
239.19975	5.0
249.18463	14.1
267.19461	23.6
271.05960	8.9
279.31638	2.2
299.06049	7.6
319.07693	3.2
321.24347	3.8
339.14056	4.7
339.25082	4.4
519.17871	3.0
519.25140	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	519.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01843	3.7
55.05502	25.3
57.07059	45.6
67.05489	48.7
69.07061	18.9
71.04996	3.1
71.08622	31.2
71.14909	7.4
79.05478	63.7
80.42670	2.6
81.03382	4.1
81.07038	62.6
81.87768	2.9
83.04978	14.2
83.08610	18.4
85.10159	14.6
91.05464	45.8
93.07025	46.7
95.04974	15.6
95.08588	50.8
97.06544	3.7
97.10160	8.0
105.07013	31.0
107.04921	3.8
107.08588	13.1
109.06485	4.3
109.10144	13.1
117.07006	7.3
117.11922	2.9
119.08557	19.1
123.08107	3.9
123.11684	3.9
129.07002	12.8
130.54013	3.0
133.10146	11.7
137.13226	4.2
143.08563	4.9
145.10150	10.5
147.08029	3.5
147.11662	33.9
160.42728	3.2
161.09618	4.5
161.13260	11.8
171.11612	18.9
189.12767	10.6
207.13763	29.0
213.07217	3.3
239.23724	5.9
244.55170	2.9
299.06271	5.8
357.28418	3.3
446.64206	3.3
476.73306	3.0
519.40479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01860	6.4
55.05491	6.6
57.03418	4.0
57.07065	2.4
58.99569	3.2
60.54029	1.6
61.02919	3.5
67.05496	11.4
69.03417	24.1
69.07058	13.1
69.70183	13.1
71.04983	8.8
73.02908	4.3
76.02217	7.1
79.05495	14.4
80.91896	2.0
81.03411	15.0
81.07047	23.8
83.08613	3.1
84.04470	2.1
85.02898	52.5
85.06549	2.2
86.09717	2.0
87.00822	28.1
91.05460	21.3
93.07033	64.8
95.04971	4.3
95.08596	19.7
97.02886	23.3
99.04441	7.1
99.12096	1.7
105.01229	1.3
105.01855	38.3
105.07014	22.6
107.08581	100.0
107.85989	1.6
109.02879	18.1
109.06492	3.4
109.10130	9.8
111.08080	2.6
115.03905	4.0
116.01670	4.7
117.07050	2.8
119.06087	1.7
119.08582	9.4
121.10133	51.0
123.04376	2.0
123.11693	6.2
127.03898	44.9
130.04988	2.2
131.08539	8.1
133.10156	9.0
135.11641	4.4
137.06055	1.9
137.09599	3.5
145.04945	16.9
145.10129	12.8
147.02902	2.4
147.11575	9.0
149.09613	2.3
149.13239	98.0
151.11156	5.2
151.14818	2.7
154.08624	2.0
159.02827	10.1
159.11667	9.7
161.13229	5.2
162.02180	4.1
167.14301	7.4
173.13196	2.1
179.04909	3.4
189.03908	2.7
201.16428	8.4
213.09006	2.0
219.13939	2.1
219.17342	3.7
226.12674	2.0
231.04993	10.4
247.50851	2.1
249.06125	5.4
257.15323	2.3
270.14951	2.7
275.16318	3.2
288.16241	4.3
290.51352	1.8
311.36816	1.9
317.06409	8.8
361.16260	2.1
373.17911	18.8
401.34372	2.1
520.20129	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05018	0.5
57.03416	0.2
58.06310	0.2
58.06622	0.6
59.07381	0.2
60.08152	6.6
67.05495	0.7
69.07053	0.3
69.44070	0.1
69.44379	0.9
71.07359	3.2
79.05494	0.2
80.97436	0.1
81.07034	0.6
83.08595	0.1
86.09689	32.4
87.10040	0.1
91.05441	0.1
93.07021	0.2
95.08599	0.3
97.10175	0.1
98.97803	0.2
98.98445	3.3
104.10723	3.1
109.10160	0.1
124.99979	22.9
143.00964	0.2
166.02602	0.1
184.07309	100.0
185.07648	0.3
243.09537	0.1
258.10986	0.2
337.27328	0.1
347.95966	0.1
433.10727	0.1
451.90167	0.1
453.98209	0.1
502.32877	1.0
520.33917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01340	0.2
51.55341	0.2
55.05490	0.9
55.35131	0.2
56.05029	1.3
57.03416	0.5
58.06561	1.3
59.07367	0.3
60.08153	16.6
67.05495	2.7
69.07046	1.3
70.06573	0.3
70.94950	0.5
71.07361	6.2
79.05474	0.7
81.07043	2.8
83.04967	0.2
83.08600	0.5
86.09691	49.2
91.05473	0.6
93.07035	0.7
95.08588	1.9
98.98453	3.9
104.10725	90.0
105.07001	0.3
105.11085	0.5
107.08584	0.5
109.10132	0.6
114.52116	0.2
119.08572	0.3
121.10140	0.4
123.11716	0.2
124.99981	29.5
130.15039	0.2
143.01021	0.2
150.79793	0.2
163.01556	0.7
166.02579	0.2
184.07312	100.0
185.07657	0.4
250.42480	0.2
258.10980	1.0
337.27423	0.8
373.77969	0.2
443.25525	0.3
502.32855	6.7
503.33505	0.2
520.33911	19.9
521.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1287
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03918	0.4
54.70579	0.2
55.01850	1.0
55.05500	0.3
56.39729	0.3
57.03417	0.5
61.73180	0.2
67.01849	4.9
67.05478	0.7
68.99767	2.0
69.03411	2.8
69.07044	0.3
70.06592	0.3
70.07746	0.5
70.08138	0.8
71.04964	0.7
73.02891	0.8
78.22106	0.3
79.05470	0.6
81.03391	2.5
81.07052	1.7
81.21152	0.2
82.07394	0.3
82.08520	0.2
84.27205	0.2
85.02383	0.4
85.02892	4.7
87.00823	1.8
87.04453	0.3
91.05447	2.2
93.07050	1.5
95.04955	1.2
95.08575	0.8
97.02888	2.5
97.06548	0.4
99.04431	0.9
100.15305	0.2
105.01859	1.4
105.07041	0.7
107.04941	1.8
107.08566	0.7
109.02862	2.3
109.10138	0.9
111.00777	0.4
111.04408	0.3
117.01874	0.3
119.04922	5.2
119.08544	0.5
121.06463	2.1
121.10141	0.6
123.04396	2.3
125.02287	0.5
127.03906	4.2
129.01814	0.9
131.04866	0.4
131.08502	0.4
133.10036	0.6
135.11691	0.3
137.05956	0.5
137.09555	0.5
143.08574	0.3
145.04924	1.5
145.10085	0.5
147.04381	23.2
147.11552	0.3
151.03909	1.0
151.11195	0.3
153.01794	87.4
154.02129	0.7
159.02840	1.2
160.12061	0.2
161.56767	0.2
165.09026	0.3
165.12709	0.3
171.02858	33.7
177.01826	0.3
179.03371	2.3
189.05458	0.5
195.02811	1.3
200.36014	0.3
201.16330	0.3
219.02916	0.3
219.17380	0.4
220.17755	0.3
231.06688	0.4
255.06615	0.4
261.03928	0.6
273.07526	100.0
274.07864	1.3
297.07553	0.5
303.04843	0.6
311.25552	0.3
315.08545	0.3
366.48782	0.2
381.09589	0.3
401.07169	0.5
405.66550	0.3
457.54071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1282
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03939	3.2
54.83376	0.3
55.01841	0.7
57.03411	1.0
61.02897	0.7
69.03417	10.2
69.07061	0.3
70.18877	1.6
71.04974	0.9
73.02893	1.2
81.03405	15.1
83.01344	0.3
83.62466	0.3
85.02891	5.7
85.68851	0.3
92.02611	0.8
93.03384	1.2
93.06956	0.4
95.08636	0.4
97.02872	5.1
99.04430	2.0
107.04962	0.3
108.24178	0.4
109.02859	8.6
109.10132	0.3
121.02829	1.1
126.03099	0.3
127.03896	7.5
137.02286	0.4
137.05962	0.4
139.03925	0.7
142.81444	0.3
145.04935	1.3
147.28830	0.3
151.03847	0.5
153.01805	7.4
165.01753	0.6
176.04660	0.3
177.05472	0.3
187.05989	7.0
201.05415	1.1
214.18030	0.7
217.04932	0.7
219.02750	0.3
228.04129	1.8
229.04901	3.4
231.02751	0.4
238.10544	0.4
245.04373	0.9
246.05257	1.8
253.09618	0.4
257.04407	2.3
273.03922	1.8
273.06638	0.3
274.04684	3.4
285.03867	4.1
288.39853	0.3
301.03357	0.4
302.04172	12.0
315.04840	0.3
316.67462	0.4
317.06509	100.0
318.06833	1.7
339.13455	0.6
340.13687	1.2
356.12885	0.5
367.12949	0.4
368.13177	0.9
491.18509	0.4
521.21320	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01864	0.4
58.06884	0.3
63.08961	0.3
63.59447	0.4
69.03424	0.9
70.06588	1.1
71.68850	0.7
72.08144	0.4
77.03925	0.5
79.05462	0.7
81.07008	0.3
84.08096	0.5
85.02887	1.4
91.05485	1.2
95.04942	1.3
97.02888	0.6
99.79174	0.4
103.05447	57.2
104.05787	0.6
105.07009	3.6
107.04907	0.5
109.02870	0.6
115.05437	1.6
119.04894	1.2
123.04424	0.8
127.03892	0.7
131.04903	100.0
132.05196	0.8
133.06471	3.3
137.05946	4.6
139.03851	0.7
141.15823	0.4
147.04378	1.4
149.06015	0.4
151.04008	0.4
153.00731	0.4
161.05945	9.7
163.03918	0.7
163.07510	27.4
175.07501	1.3
179.07008	0.9
187.07501	1.1
221.30278	0.4
222.30598	0.4
240.08699	0.4
245.75197	0.4
291.09943	0.5
311.12842	0.5
358.10699	0.6
450.15311	0.4
471.13794	0.5
519.29297	0.4
521.15460	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35033	0.3
53.03928	0.5
55.01859	0.8
55.63720	0.4
57.03422	0.6
59.72321	0.3
61.02903	0.5
68.99766	0.3
69.03414	1.8
69.74129	1.9
69.74559	0.6
71.01328	0.3
71.04978	0.7
73.02876	0.5
81.03416	2.7
81.07043	0.5
83.13329	0.3
85.02892	7.4
87.00820	2.5
88.39738	0.3
91.05433	0.3
97.02885	2.5
98.21443	0.5
99.04432	1.2
100.42828	0.3
101.97034	0.3
105.01826	1.8
108.04508	0.4
109.02872	2.3
127.03883	4.1
129.01784	0.4
145.04924	1.3
153.07011	0.4
159.02876	1.2
165.06975	2.5
166.07784	1.0
167.08609	1.4
179.08481	0.7
181.06438	0.7
182.07234	1.3
189.03917	0.5
194.07237	0.7
195.08087	1.5
196.08849	1.2
197.09587	9.3
199.07411	0.4
207.07947	0.6
208.08821	0.6
209.09448	1.5
210.06689	1.4
211.07503	1.5
213.09027	0.6
214.09795	0.4
222.10451	0.7
223.11229	0.4
224.08266	2.7
225.09048	10.5
226.09842	9.5
226.11671	0.2
227.06975	1.1
227.10558	0.8
228.07599	0.3
229.12238	1.3
231.05092	0.5
238.09901	0.6
239.10649	2.8
241.08466	0.9
242.09332	6.2
243.10086	0.5
249.09192	0.4
250.09796	0.4
253.12279	0.8
255.10109	1.0
256.07156	0.4
256.10861	1.4
257.11667	100.0
258.11996	1.0
266.09274	0.9
267.10110	4.4
269.11707	1.4
281.11658	7.4
283.54456	0.4
293.11691	0.5
299.12720	5.0
303.24905	0.3
305.11618	0.6
319.13217	0.7
323.12656	3.8
337.14316	0.4
347.12747	2.1
365.13776	5.1
408.75021	0.4
451.13718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01867	1.4
55.05272	1.1
55.05505	13.6
56.27568	0.9
57.03423	6.7
57.07051	2.9
59.21664	1.0
60.04515	1.0
60.08146	4.0
60.15610	0.8
67.05499	28.7
69.07063	18.7
71.07372	2.2
71.08611	1.3
71.70405	1.2
71.70840	1.1
79.05479	8.5
81.07046	31.9
83.04910	1.0
83.08602	7.2
85.06549	1.4
86.09684	10.4
86.22153	1.1
87.10017	2.6
88.03982	6.8
91.05466	5.8
93.07042	8.7
95.08596	22.4
96.08892	1.0
97.06530	1.3
97.10148	2.8
98.98457	6.2
104.10733	7.2
105.07025	4.9
105.11044	3.2
106.05008	1.2
107.08578	2.7
109.10125	9.1
119.08557	2.7
121.10110	3.7
123.11664	3.4
125.00005	5.8
131.08595	1.5
133.10118	3.9
135.11708	1.4
147.11716	1.0
155.00986	1.2
159.10318	0.9
161.13206	2.1
166.77237	1.1
172.56447	0.9
184.07327	24.9
185.07684	8.9
186.07712	6.3
229.14215	1.0
263.23602	1.8
269.08035	1.6
337.27322	100.0
338.27667	3.6
350.26895	1.3
504.33411	2.7
522.34253	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	522.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62122	0.5
55.05280	0.5
55.05502	4.1
56.05006	0.8
57.03413	1.1
57.07082	0.6
61.02904	0.9
63.66414	0.5
67.05498	3.4
67.05791	0.6
68.05011	0.7
69.03397	1.6
69.07062	4.2
69.74162	4.0
70.06589	1.1
71.04972	1.0
71.45369	0.5
72.04504	0.6
79.05475	2.0
80.04987	1.8
81.03386	1.0
81.07046	4.7
82.02946	1.2
82.06569	1.1
83.04974	1.8
83.08588	2.3
84.04509	1.4
85.02895	2.7
88.03978	0.7
91.05458	1.3
93.07045	2.7
94.06544	2.3
95.04939	0.9
95.08607	3.7
96.04476	5.8
96.08107	1.1
97.02876	1.0
97.05278	0.6
97.10166	1.2
98.06008	0.8
100.03951	3.8
101.06001	0.9
105.07001	1.0
107.08533	1.1
108.08119	1.1
109.02846	1.0
109.10133	2.5
110.06023	3.2
110.09659	1.5
111.04443	0.9
112.03972	1.2
112.07628	0.7
118.06520	0.7
119.08546	1.0
120.08118	0.9
121.10138	1.2
122.06004	2.1
124.07572	1.1
126.05479	1.1
133.10130	1.0
136.07558	2.5
137.08572	0.6
137.09587	1.4
138.05504	1.2
138.09039	1.1
147.07999	0.7
150.09108	0.9
165.09116	2.3
183.10109	0.8
200.09177	0.6
201.11111	0.6
201.51048	0.5
208.20583	1.1
224.20137	1.7
232.20601	0.9
234.18633	1.0
236.20053	10.0
252.19569	18.3
252.22218	0.9
278.21198	1.7
282.20563	1.4
301.16391	0.9
306.20605	1.6
324.21613	1.8
342.22702	72.3
343.23077	2.5
360.23752	100.0
361.24222	1.9
381.88602	0.7
490.15726	0.6
522.29181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05021	0.6
57.03420	0.2
57.07056	0.1
58.06623	0.4
59.07379	0.2
60.08153	6.0
67.05489	0.2
69.07061	0.4
69.35545	0.5
69.35980	0.5
70.06569	0.1
71.07359	2.6
74.09828	0.1
79.05508	0.1
81.07047	0.4
86.09689	32.2
87.10023	0.1
93.06982	0.1
95.08578	0.2
98.21462	0.2
98.98441	2.9
104.10722	3.0
107.08542	0.1
113.62908	0.1
118.49356	0.1
121.10155	0.1
124.99980	21.8
135.92276	0.1
143.01033	0.2
144.49352	0.1
184.07309	100.0
185.07637	0.6
224.44556	0.1
258.10931	0.3
263.82141	0.1
312.25156	0.1
339.28836	0.1
504.34427	1.0
522.35468	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	522.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61158	0.3
55.05492	1.2
56.05014	1.4
58.06347	0.3
58.06602	1.3
59.07383	0.4
59.17596	0.3
60.08154	17.6
67.05482	0.9
68.94561	0.3
69.07053	2.4
70.09573	1.6
71.07358	5.4
81.07026	1.1
83.08601	1.2
86.09691	49.7
93.07005	0.5
95.08591	1.4
97.10136	0.4
98.20744	0.3
98.98444	4.4
104.10725	96.7
105.11056	0.5
109.10155	0.5
121.10071	0.4
124.99982	29.1
144.80087	0.3
163.01541	0.5
168.90227	0.3
184.07312	100.0
185.07698	0.6
252.02849	0.3
258.11014	1.1
339.28967	1.0
504.34402	7.5
521.02618	0.4
522.35443	23.2
523.35675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1441
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.60552	0.2
53.03920	0.3
65.03934	0.6
67.05492	0.8
69.03410	1.1
69.07053	0.9
70.06577	0.7
70.08203	1.5
71.04990	0.5
73.02898	0.3
79.05492	0.7
81.03394	1.0
81.07052	1.6
82.54832	0.3
83.04971	0.4
83.08614	0.5
85.02908	1.7
85.06526	0.5
87.00853	0.4
91.05450	0.6
93.07034	0.9
95.04958	0.6
95.06301	0.3
95.08579	1.3
96.04494	0.3
97.02881	0.7
97.06504	0.3
99.04435	0.3
105.07009	1.4
107.04925	1.1
107.08590	1.0
109.02872	0.6
109.10168	1.1
119.04932	0.3
119.08561	0.8
120.08086	0.4
121.06504	0.4
121.10101	0.9
123.04408	0.5
123.08058	0.6
123.11657	0.5
125.09655	0.5
127.03888	0.9
131.08591	0.3
133.10057	0.4
135.04428	0.4
135.08014	0.4
135.11665	0.5
137.02361	0.4
137.05943	0.8
137.09572	0.4
139.03903	0.9
143.08623	0.4
144.06532	1.2
145.10135	0.5
146.03624	0.5
147.11691	0.6
149.02391	0.3
149.04662	0.3
149.05917	0.5
151.03888	0.4
153.01797	5.9
159.11617	0.4
161.13187	0.4
163.03850	0.4
164.04646	2.5
165.01872	0.3
165.05479	0.9
165.09052	0.3
179.03383	0.6
179.10767	0.3
181.05013	0.4
184.32379	0.3
192.04138	1.4
194.05695	0.4
201.05467	0.3
211.81625	0.3
213.05518	0.4
215.03233	0.5
217.04779	0.5
219.02682	0.4
222.15871	0.3
226.06049	0.4
229.04900	1.2
239.36098	0.3
243.02811	0.4
245.04428	0.4
247.06250	0.4
257.04364	1.9
257.11655	0.9
257.18951	0.4
258.05145	0.5
260.03174	0.8
269.04431	0.5
271.02280	0.8
271.05957	1.1
272.06705	0.3
273.03705	0.3
273.07208	0.3
275.05502	2.8
275.19971	0.4
284.03183	0.4
285.03922	1.8
286.04681	1.1
287.05463	1.0
288.02695	1.0
299.01834	0.8
299.05371	0.6
300.02643	5.8
300.06012	0.5
301.03247	1.0
301.07043	1.2
302.04196	0.7
303.04944	3.1
307.20822	0.3
313.03299	0.6
314.04175	0.5
315.04962	3.3
316.02090	0.7
317.03000	0.6
317.06531	1.0
318.07327	1.0
327.05020	1.0
329.06570	0.9
330.03683	0.6
331.04419	5.0
332.04953	0.6
343.23038	0.4
345.06018	4.0
346.06778	40.0
347.07196	1.1
361.09106	100.0
362.09509	2.7
523.14520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25674	2.7
53.03923	10.0
55.01860	12.3
55.05490	6.4
55.34165	3.1
56.55863	2.5
57.03414	8.0
61.02896	9.3
67.05476	13.2
68.99763	8.4
69.03421	42.0
69.07059	6.0
70.06596	4.5
71.04972	13.1
71.68101	4.6
71.68447	3.3
73.02895	6.2
79.05469	22.6
81.03407	50.6
81.06609	3.8
81.07047	42.0
83.00368	3.5
83.04977	6.5
85.02892	74.4
87.00811	27.5
91.05470	12.8
93.07044	21.3
95.04936	13.6
95.08593	21.1
97.02885	29.2
97.06509	4.3
99.04435	18.7
103.05466	6.4
105.01855	15.2
105.04582	3.9
105.07024	40.8
107.04942	14.0
107.08584	14.8
109.02866	32.0
109.06506	18.7
109.10126	19.2
111.04431	7.2
111.08076	3.7
115.05376	5.5
117.01865	3.7
117.07056	4.9
119.04918	3.0
119.08566	12.6
120.05762	5.0
121.06511	16.2
121.10139	11.1
123.04394	25.6
123.08032	8.4
123.11697	9.0
127.03905	39.7
129.01802	7.3
130.50029	3.4
131.04875	3.8
131.08514	6.8
133.06476	7.0
133.10129	9.5
135.04404	8.9
135.08028	19.4
135.11641	5.7
137.02345	3.4
137.05959	61.5
137.09587	7.5
137.13248	4.9
139.07552	3.9
143.08568	4.1
145.04938	12.2
145.06442	4.3
145.10149	6.5
147.02837	4.1
147.04385	17.1
147.08046	3.6
147.11681	7.2
149.05939	4.3
149.09586	4.1
149.13226	5.8
150.06755	9.6
151.07535	42.8
153.09055	11.9
157.10133	3.3
159.02931	19.5
159.07979	5.4
159.11607	4.1
161.05971	24.6
161.09607	6.5
163.07516	3.4
163.11154	3.1
165.05464	10.1
165.09106	100.0
171.11705	4.2
173.13275	3.5
175.07518	10.9
177.09097	8.5
179.07014	4.8
179.10588	4.5
185.06001	3.4
185.13272	3.7
187.05989	3.0
188.93233	3.3
189.05486	26.4
189.09052	10.2
199.15097	3.5
203.10699	4.4
205.08574	3.7
207.10060	3.5
213.03789	4.2
218.28427	3.6
239.49072	3.3
255.09984	3.8
273.11191	4.2
275.12762	54.5
275.19803	5.4
283.09488	5.3
285.11142	29.8
287.12766	27.4
291.10132	5.8
293.07974	7.9
295.09683	3.7
297.11310	5.7
299.12784	66.3
301.21585	10.0
305.11734	4.8
309.11093	10.1
311.12656	3.8
313.14255	3.7
317.13785	41.7
323.12646	7.7
331.04419	11.1
337.14294	7.8
341.13843	44.7
346.06613	7.2
347.12708	4.1
361.09128	50.8
365.13794	44.1
383.14944	39.5
451.13043	3.4
469.14795	3.6
523.29089	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.5
57.02623	1.8
69.03398	1.8
69.35036	23.2
85.02919	2.3
85.35750	1.7
97.02873	3.9
98.20668	4.0
114.15666	2.0
123.73013	1.7
127.03913	3.1
160.03856	2.3
160.07513	2.1
166.04929	2.2
172.07581	2.1
174.05484	2.5
195.09265	1.9
197.10678	2.9
198.26091	2.1
199.08618	8.3
200.09291	3.4
211.08592	10.3
212.09264	4.2
213.10120	10.8
214.10748	2.2
225.06662	2.3
225.10173	19.8
226.07379	8.9
226.11044	6.3
227.08211	9.8
227.11691	8.8
228.08661	3.0
229.09781	3.0
237.10286	3.9
238.10966	2.3
239.08134	5.6
239.11665	10.7
240.08879	5.3
240.12564	6.4
241.09727	14.2
241.13321	3.1
242.10509	8.0
245.12848	12.3
249.10245	3.6
251.11671	3.2
252.08897	2.1
252.12508	3.4
253.09798	11.5
253.13249	2.2
254.10535	7.1
255.11279	21.4
257.12869	8.1
265.09650	4.2
267.08090	2.7
267.11240	25.5
268.09314	2.6
268.12061	14.6
269.09244	3.6
269.12839	7.8
271.10785	5.6
272.11426	1.9
279.08221	2.2
279.11218	5.1
281.09201	4.9
281.12744	3.4
282.10037	2.4
283.10599	12.4
284.11469	5.2
285.08728	4.9
285.12302	9.6
291.11447	2.2
293.12848	3.5
295.10727	18.6
296.11560	8.1
297.09094	3.5
297.12363	11.7
299.10229	4.1
300.11172	2.7
301.11746	22.4
307.10837	4.0
307.14172	2.8
308.11606	3.7
309.08765	3.0
309.12161	3.9
311.10120	4.5
313.08228	3.9
313.11758	46.4
314.12521	8.3
315.13312	2.6
321.12238	3.5
323.10199	7.3
323.13660	2.6
325.11768	5.3
327.09930	3.2
327.13242	8.9
329.11310	7.0
329.47870	1.9
335.13974	3.9
337.11871	3.1
338.12424	2.1
339.09708	3.3
339.13437	4.0
341.11310	13.5
342.12064	14.4
343.12885	6.0
349.12039	3.2
351.13315	4.8
353.11282	2.4
353.15155	2.9
355.12744	10.2
357.10840	4.4
361.14005	4.4
363.13351	7.1
367.12930	5.6
371.12305	3.0
373.13873	20.9
374.14600	2.7
379.12741	9.1
381.14694	10.8
383.12274	2.5
385.14029	4.2
391.12878	6.1
397.14047	4.7
399.15784	10.4
401.13336	18.6
409.13980	27.2
411.15250	4.0
413.13519	6.4
417.16605	5.0
425.13315	7.8
427.14948	20.3
429.17194	2.4
433.15826	4.0
437.13321	7.9
439.15326	2.7
445.09933	2.6
445.16077	45.9
447.17505	3.4
455.14548	24.3
457.15994	5.3
463.17215	11.0
469.15918	9.6
473.15524	52.7
487.17215	19.3
491.16476	37.3
492.16608	2.4
505.18106	100.0
506.18118	4.2
523.19171	96.7
524.19214	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	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96389	1.6
53.03942	2.3
54.27883	1.6
55.05505	14.9
55.52562	1.3
57.03418	6.2
57.06797	2.4
57.07069	43.4
65.03942	2.2
67.05499	29.5
69.03400	2.0
69.07063	12.7
70.36214	4.7
71.04980	3.6
71.08621	31.8
75.41302	1.4
77.23898	1.2
79.05485	17.7
81.03407	43.9
81.07047	37.0
83.04976	9.3
83.08609	24.8
85.02893	21.0
85.10172	16.1
91.05467	19.3
93.07047	13.6
95.04960	17.3
95.08595	35.0
97.02879	1.7
97.06542	2.5
97.10152	7.4
98.21367	1.4
105.07009	15.2
107.04943	2.0
107.08569	5.5
109.06503	3.0
109.10156	13.5
111.04424	1.8
111.08071	8.1
111.11648	1.4
113.06026	1.6
119.08556	12.0
121.10136	5.4
123.11702	7.0
129.06978	7.8
131.08568	5.7
133.06543	1.3
133.10138	4.9
137.13223	3.6
138.13716	1.3
147.08026	1.6
147.11670	10.9
149.09628	3.1
153.44261	1.6
157.10092	10.1
165.12669	1.8
175.11197	10.9
193.12224	46.2
211.13271	51.0
239.23637	4.2
243.88925	1.3
267.15976	6.0
313.27347	3.3
409.86603	1.5
505.38797	1.9
523.39905	100.0
524.40515	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01853	2.3
55.05501	15.3
57.03420	5.8
57.07066	43.9
65.03929	1.4
67.05493	28.9
69.03407	1.6
69.07063	14.1
70.07374	0.8
71.04979	4.3
71.08619	30.6
71.09016	1.6
79.05482	14.1
81.03403	40.0
81.07043	37.3
83.04968	8.4
83.08100	1.4
83.08606	27.8
85.02894	21.6
85.06521	2.0
85.10170	14.7
91.05464	21.7
93.07034	11.1
95.04948	17.6
95.08588	30.9
97.02885	2.6
97.06531	2.5
97.10146	8.4
98.21439	2.2
99.08074	1.0
99.11749	1.0
101.50912	0.7
105.07006	14.0
107.04945	4.0
107.08576	4.9
107.82524	0.8
109.06495	2.9
109.10137	12.8
111.04464	1.6
111.08077	8.4
111.11688	0.9
113.05987	2.0
114.71484	0.8
117.07047	1.0
119.08568	12.6
121.06459	1.0
121.10120	6.9
123.08064	1.1
123.11688	7.6
125.13242	1.0
129.06982	7.5
131.08569	6.7
133.06483	2.2
133.10114	8.0
137.09541	1.1
137.13243	2.2
142.07796	1.8
145.10098	1.6
147.08078	2.5
147.11665	10.6
149.09584	3.9
157.10098	8.4
163.11186	0.8
165.12755	2.3
165.16426	1.0
166.22415	0.8
175.11174	9.5
193.12219	48.1
202.65367	0.7
211.13258	49.5
239.23709	7.6
249.14868	0.8
267.15836	7.5
285.17017	1.1
313.27368	8.4
505.38831	3.5
523.39874	100.0
524.39929	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.05503	27.0
55.76143	11.6
56.90010	10.5
57.03433	24.4
57.07072	78.9
59.10046	9.3
60.01049	9.1
67.05489	48.6
69.07056	24.6
70.94431	32.1
71.08615	51.0
71.09773	10.1
79.05476	36.8
81.03415	100.0
81.07049	51.0
81.11592	10.7
83.05006	10.9
83.08606	49.3
85.10169	26.8
91.05460	33.7
93.07036	18.5
95.04969	31.7
95.08589	63.7
97.10197	11.0
98.20947	16.9
104.10763	25.7
105.07011	21.0
109.10146	33.1
111.53064	10.5
119.08552	21.3
121.10118	12.1
125.00050	11.4
129.07024	12.2
147.11627	19.7
157.10097	24.6
175.11143	12.3
184.07317	31.8
193.12215	86.4
211.13319	24.3
239.23538	11.3
242.10020	10.8
249.14723	17.2
267.15872	90.4
276.16995	11.0
313.27249	78.5
505.38629	62.7
514.43372	10.9
523.17419	12.6
523.39941	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73381	1.2
53.03941	2.4
55.01863	1.8
55.05506	14.5
57.03433	7.6
57.06800	2.5
57.07067	47.8
67.05496	31.8
67.98282	1.3
69.03410	3.0
69.07061	15.3
71.04973	3.1
71.08616	33.5
71.70396	1.8
73.37008	1.3
79.05480	15.3
81.03400	43.4
81.07042	37.3
83.04972	8.3
83.08607	29.8
85.02894	23.8
85.06522	2.2
85.10168	18.8
91.05466	21.3
93.07024	12.9
95.04954	18.9
95.08593	35.4
95.19151	1.2
97.02874	1.4
97.06516	2.3
97.10159	9.8
99.08054	1.9
105.07014	17.3
107.04916	3.1
107.08565	4.9
109.06509	3.7
109.10149	13.9
111.08062	5.9
113.05999	1.6
115.05441	2.0
119.08556	12.8
121.10125	6.5
123.11684	6.2
125.09662	1.5
129.06987	9.8
131.08554	8.0
133.06462	2.0
133.10083	5.4
137.13213	2.9
142.07773	2.2
144.99013	1.2
147.08058	1.7
147.11664	8.5
149.09625	4.7
157.10106	8.5
165.12759	1.7
175.11154	12.0
184.07336	1.6
193.12212	51.4
211.13257	53.3
239.23590	7.5
258.68472	1.2
267.15866	8.0
313.27383	8.8
333.51886	1.5
505.38757	3.5
523.39886	100.0
524.40173	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	524.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01861	1.9
55.05496	4.3
56.05023	1.8
57.03418	1.7
58.02943	1.1
58.54731	1.2
61.02917	1.9
67.05475	3.9
68.99754	2.3
69.03422	7.9
69.07050	2.2
69.44173	13.9
70.06580	6.0
71.01319	2.7
72.08128	2.4
73.02901	1.7
73.63198	1.2
79.05476	3.5
80.04992	1.3
81.03410	6.0
81.07021	4.9
82.06577	1.4
83.08589	3.3
84.04484	2.9
84.08125	3.1
85.02892	15.7
86.09680	2.3
93.07018	2.7
95.04919	1.5
95.07312	1.4
95.08556	1.5
96.04464	2.1
96.08109	1.8
97.02876	6.9
98.09691	6.4
98.10232	1.1
100.03922	1.6
100.07607	3.1
100.11240	9.3
103.05406	1.4
106.02899	1.4
107.01260	1.2
107.08534	1.7
108.02056	1.7
109.02849	4.5
109.10112	3.1
110.06012	3.2
110.09663	1.7
111.04417	4.8
112.07599	2.0
114.09127	2.7
119.04884	1.3
121.10267	1.2
122.05997	2.0
123.04375	1.7
123.11674	1.8
123.29181	1.3
123.68806	1.2
124.03951	3.4
125.05940	2.1
126.05549	2.0
126.09202	1.6
127.03893	4.3
128.07050	1.9
128.10675	3.1
134.06012	2.0
135.04422	2.1
136.04053	1.4
136.07538	2.7
137.02324	100.0
137.03403	5.1
138.02667	2.2
140.10674	2.0
142.08604	1.7
144.16898	1.2
145.04964	2.1
146.05945	1.8
149.02380	1.8
151.03882	44.3
151.04945	2.3
153.01773	8.4
153.05423	1.3
154.12198	2.6
156.10114	1.5
162.05362	2.0
163.03857	2.8
164.07072	2.7
165.01878	1.9
167.03403	2.1
168.13763	2.1
170.11787	2.1
173.02315	1.2
174.12964	1.3
178.05060	1.4
179.03349	2.1
180.06543	3.5
181.04890	2.6
182.15474	4.3
190.04912	2.9
191.03343	4.7
192.06613	2.0
194.04462	3.9
197.05879	2.1
201.05322	1.5
207.02831	2.6
208.05983	7.8
209.04434	7.5
209.16415	2.0
210.14792	6.8
213.15826	2.1
217.04964	3.1
225.05574	2.2
225.07562	11.5
227.17502	3.0
229.04889	2.7
233.04547	1.5
236.05513	1.7
243.06425	1.5
245.04340	2.2
253.04980	3.3
257.04471	2.2
259.05896	1.4
271.05969	4.4
273.03900	7.0
275.05447	3.1
281.04373	2.1
283.05865	1.7
285.03690	2.2
298.07022	5.5
299.05225	8.3
301.03375	5.1
301.06958	4.1
302.06769	1.6
303.04956	28.9
308.22086	6.3
309.03864	2.0
316.08160	10.6
317.06506	2.4
318.06250	1.8
319.04465	8.0
326.06436	7.6
326.23325	3.8
327.04916	51.8
337.21143	2.0
344.07605	70.5
344.24161	9.2
345.05899	29.2
348.10638	6.8
354.23764	5.1
362.08661	19.6
362.25153	2.8
363.07935	1.2
368.25430	1.8
401.10529	3.0
407.28043	1.3
449.31335	1.6
451.32324	2.8
524.34619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59482	1.4
53.00296	1.7
53.03936	3.6
55.01854	4.6
55.05507	11.8
56.05023	38.5
57.03428	2.9
57.07056	2.2
58.06587	2.6
60.04500	2.5
61.02912	3.0
67.05493	29.8
68.05033	1.6
69.03423	12.7
69.07054	13.5
70.06582	8.7
71.04990	5.9
72.04500	4.4
73.02903	1.9
79.05478	17.2
80.04991	5.6
81.03415	7.7
81.07047	34.5
82.06568	2.9
82.45347	1.5
82.82784	1.5
83.04964	7.3
83.08611	5.7
84.04494	12.1
84.08117	2.3
85.02895	21.1
85.06541	2.8
86.06065	6.8
86.09666	2.5
87.00797	1.8
87.49396	1.4
91.05470	13.9
93.07024	18.5
94.06561	6.5
95.04968	4.3
95.08591	24.4
96.04483	5.9
96.08102	3.6
97.02881	7.4
97.06516	5.7
97.10143	2.7
98.06026	2.9
100.03953	2.4
102.05495	1.8
105.01901	1.6
105.07020	10.1
106.06560	3.2
107.04945	1.7
107.08553	12.0
108.04456	1.7
108.08077	4.6
109.02882	2.8
109.06473	2.9
109.10144	15.3
110.06028	14.8
111.04395	2.5
111.08083	3.6
112.03951	5.2
114.05537	2.1
117.07013	4.8
119.04866	2.1
119.08583	7.1
120.08098	5.9
121.10148	9.5
122.06018	4.4
122.09634	1.8
123.08065	3.2
123.11753	4.1
124.03938	5.1
124.07578	3.5
125.06025	1.9
125.09544	1.8
126.05492	10.4
127.03902	6.9
131.08548	4.5
132.08115	2.1
133.06396	2.0
133.10075	4.1
134.09607	3.6
135.08066	2.0
135.11702	2.4
136.07565	5.7
137.05997	1.9
137.09595	9.2
138.05473	3.5
138.09184	2.9
139.03929	1.5
142.05013	2.1
145.04955	3.7
145.10114	3.5
146.09686	2.2
147.11641	3.5
148.07533	2.3
148.11168	2.6
150.09122	5.6
157.10071	2.0
161.13260	2.2
162.09132	4.7
163.03981	2.0
164.10709	2.4
165.07079	1.9
165.09116	5.3
170.07355	2.1
172.11208	1.8
181.06474	8.0
183.08043	2.9
195.08009	3.3
201.11208	1.8
206.04474	1.7
207.06517	3.1
209.05968	2.7
210.06796	5.1
213.09122	6.5
226.06149	8.9
241.08562	74.7
242.08891	4.6
262.21637	3.0
272.20102	4.4
278.21115	4.1
280.22708	4.5
283.15378	2.7
290.21097	15.1
296.22208	5.7
301.16257	2.0
308.22150	67.8
309.22604	2.5
311.10410	2.6
317.11267	4.5
326.23212	82.3
327.23477	3.3
330.11633	2.4
344.24268	100.0
362.25317	80.5
488.28665	2.2
492.17740	10.4
524.20056	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	524.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.9
55.01861	2.3
55.05504	10.7
56.04801	1.0
56.05032	11.4
57.03415	2.2
57.07054	1.4
59.14696	0.9
60.04513	1.3
61.02909	1.6
62.09656	1.0
65.03918	3.1
67.05495	21.6
68.05017	1.2
69.03418	8.3
69.07062	7.8
70.02950	1.4
70.05620	5.1
70.06561	2.6
71.04975	2.0
72.04506	4.3
79.05479	10.9
80.05026	4.6
81.03393	3.8
81.07046	21.2
82.06572	4.4
83.04958	2.3
83.08614	5.0
84.04482	4.0
85.02901	12.7
85.06539	1.1
86.06042	4.0
86.09682	1.4
86.86582	1.0
87.04428	1.4
88.03976	1.3
91.05470	7.1
93.07032	9.9
94.06568	7.2
95.04952	4.8
95.07491	0.8
95.08591	20.1
96.04494	5.5
97.02872	4.0
97.06505	3.4
97.10131	2.2
98.06042	5.1
99.04431	1.5
100.03953	5.6
101.17847	0.9
102.05503	1.5
105.07040	4.5
107.08579	6.7
108.04458	4.5
108.08063	1.2
109.02837	2.9
109.05248	1.7
109.06514	2.3
109.10135	9.1
110.06027	23.0
111.06812	1.4
111.08109	1.1
112.03953	5.0
112.07605	1.5
114.05516	10.0
117.07025	1.4
118.06574	1.1
119.08539	3.2
120.08078	3.1
121.06454	2.1
121.10136	5.5
122.06008	2.4
123.04398	1.7
123.11666	3.0
124.03906	2.6
126.05495	30.5
127.03893	2.1
128.03464	2.1
128.07047	10.5
130.04962	2.7
131.08539	1.6
133.10097	2.5
134.05898	1.0
135.07980	1.1
135.11668	2.6
136.07518	2.0
137.09587	2.1
138.05450	1.4
140.07092	1.0
144.06538	26.8
144.07678	1.8
145.10054	1.2
147.11690	1.5
149.13297	1.3
150.09148	1.8
153.01796	2.9
154.02206	1.0
156.06544	1.4
157.10089	1.0
161.13228	1.4
163.03856	1.1
164.04572	1.3
165.08990	1.2
166.08583	1.3
166.86740	0.9
203.18015	1.3
237.10283	1.1
258.04654	0.9
262.21628	1.2
265.09521	1.1
280.22610	1.4
281.40442	1.0
286.04398	1.1
290.21066	2.5
290.72183	1.0
300.02551	1.6
301.03073	1.9
303.05038	1.3
304.05118	2.2
308.22125	13.8
315.04843	1.2
316.05127	2.0
326.23215	100.0
327.14334	1.0
327.23846	2.4
331.04535	1.6
332.04709	2.5
344.24280	70.4
345.05707	1.6
345.24579	2.4
346.06799	8.3
347.07166	17.9
361.09146	16.4
362.09488	43.6
362.25311	40.4
363.09705	3.4
434.06699	1.1
492.17831	1.4
506.19046	1.2
524.20123	3.2
552.72974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3706
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05493	0.7
56.05017	1.2
57.03410	0.4
57.07072	3.0
58.06597	1.4
59.07379	0.6
60.08155	16.6
67.05487	0.7
69.07064	0.6
71.07367	6.4
71.08608	1.8
75.53809	0.3
80.51452	0.3
81.03406	0.6
81.07046	0.8
83.08598	0.7
85.10151	0.9
86.09694	50.9
93.11082	0.3
95.08578	1.1
98.98465	3.3
104.10728	99.0
105.11070	0.5
109.10145	0.7
124.99985	26.3
143.01060	0.4
151.84096	0.3
163.01466	0.5
184.07320	100.0
185.07674	0.6
191.05801	0.4
229.77022	0.5
258.10983	1.4
315.28751	0.3
326.08936	0.3
341.30515	1.0
447.28632	0.6
506.35962	8.5
507.36087	0.4
524.37048	28.8
525.37036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48527	4.4
55.05497	12.0
57.03426	7.5
61.03909	4.3
67.05495	100.0
69.07063	8.4
71.70116	7.3
79.05486	18.1
81.07042	35.5
83.08609	5.9
87.04456	5.8
91.05467	19.3
93.07047	27.0
93.07503	4.9
95.08580	27.4
98.69900	4.5
105.07020	6.4
107.08570	11.2
109.10121	52.2
109.82999	5.2
119.08563	11.6
132.55704	5.9
135.11691	6.8
145.09947	4.5
147.83553	4.5
156.99716	5.1
173.11734	23.2
180.65443	4.4
184.51434	4.2
220.24333	4.5
226.86615	4.3
229.14328	71.5
261.22141	10.5
317.82483	4.2
320.06055	4.3
335.25754	57.7
336.26511	5.9
489.35690	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	525.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01854	4.6
55.05499	16.0
57.03419	5.0
57.07061	3.7
59.04982	1.7
59.44827	1.5
61.02911	3.2
67.05494	19.8
68.05828	1.6
68.99770	3.9
69.03416	28.6
69.07059	9.7
70.06581	2.0
71.04972	4.4
71.70282	2.2
73.02884	3.1
79.05476	9.3
81.03412	20.1
81.07043	29.3
83.04964	12.5
83.08608	5.4
85.02890	31.7
85.06031	2.2
85.06530	34.6
87.00813	12.9
87.04526	1.7
91.05478	12.7
93.07031	19.4
93.19381	1.7
95.04959	17.9
95.08595	25.9
97.02878	13.0
97.06535	4.1
97.10152	4.0
99.04432	5.7
99.08089	27.0
103.03944	2.4
105.01852	7.3
105.07014	23.4
107.04951	5.7
107.08576	23.5
109.02849	16.4
109.06513	13.9
109.10138	21.5
111.04371	2.2
111.08044	3.2
113.09617	5.1
117.06995	3.9
119.08562	35.2
121.06498	8.5
121.10133	31.6
123.08028	5.8
123.11687	11.2
125.05968	2.0
125.09615	14.0
127.03892	19.8
128.06261	1.7
129.01785	2.7
129.07002	2.2
131.08528	7.8
133.06406	3.7
133.10100	27.7
135.08055	8.0
135.11679	16.1
137.05919	2.6
137.09590	16.2
139.11119	3.9
139.76047	1.5
142.07755	4.0
143.08600	10.4
145.04932	5.3
145.06454	1.7
145.10115	14.1
147.08029	9.3
147.11661	19.8
149.09579	16.0
149.13274	4.0
151.07480	2.3
151.11162	20.2
155.10657	4.5
156.09300	2.5
157.10112	7.1
159.02872	6.0
159.08064	2.8
159.11652	10.5
161.09602	12.6
161.13252	11.6
163.11172	9.4
165.09081	7.0
165.12756	7.9
166.08527	2.1
171.10297	2.2
171.11678	10.2
172.12425	1.9
173.09583	2.4
173.13258	6.8
175.11197	8.5
175.14789	13.5
177.09103	1.8
177.12759	10.6
179.07037	1.9
179.14290	4.6
185.05917	3.3
185.13258	10.2
187.11092	1.7
189.12729	11.6
189.16362	3.2
190.13474	2.2
191.14291	12.5
199.14760	10.2
201.16348	11.7
203.10732	2.0
203.14336	12.3
217.15895	8.9
219.17410	2.8
221.11795	2.8
229.04924	19.6
231.04901	4.7
231.14139	1.9
232.63191	1.6
241.19382	8.2
242.62317	2.2
259.20538	67.5
274.13815	1.8
277.21579	100.0
278.22028	2.1
301.21475	2.5
343.13791	2.6
367.23224	2.7
506.73087	1.8
525.27362	13.8
547.49054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01854	4.6
55.05499	16.0
57.03419	5.0
57.07061	3.7
59.04982	1.7
59.44827	1.5
61.02911	3.2
67.05494	19.8
68.05828	1.6
68.99770	3.9
69.03416	28.6
69.07059	9.7
70.06581	2.0
71.04972	4.4
71.70282	2.2
73.02884	3.1
79.05476	9.3
81.03412	20.1
81.07043	29.3
83.04964	12.5
83.08608	5.4
85.02890	31.7
85.06031	2.2
85.06530	34.6
87.00813	12.9
87.04526	1.7
91.05478	12.7
93.07031	19.4
93.19381	1.7
95.04959	17.9
95.08595	25.9
97.02878	13.0
97.06535	4.1
97.10152	4.0
99.04432	5.7
99.08089	27.0
103.03944	2.4
105.01852	7.3
105.07014	23.4
107.04951	5.7
107.08576	23.5
109.02849	16.4
109.06513	13.9
109.10138	21.5
111.04371	2.2
111.08044	3.2
113.09617	5.1
117.06995	3.9
119.08562	35.2
121.06498	8.5
121.10133	31.6
123.08028	5.8
123.11687	11.2
125.05968	2.0
125.09615	14.0
127.03892	19.8
128.06261	1.7
129.01785	2.7
129.07002	2.2
131.08528	7.8
133.06406	3.7
133.10100	27.7
135.08055	8.0
135.11679	16.1
137.05919	2.6
137.09590	16.2
139.11119	3.9
139.76047	1.5
142.07755	4.0
143.08600	10.4
145.04932	5.3
145.06454	1.7
145.10115	14.1
147.08029	9.3
147.11661	19.8
149.09579	16.0
149.13274	4.0
151.07480	2.3
151.11162	20.2
155.10657	4.5
156.09300	2.5
157.10112	7.1
159.02872	6.0
159.08064	2.8
159.11652	10.5
161.09602	12.6
161.13252	11.6
163.11172	9.4
165.09081	7.0
165.12756	7.9
166.08527	2.1
171.10297	2.2
171.11678	10.2
172.12425	1.9
173.09583	2.4
173.13258	6.8
175.11197	8.5
175.14789	13.5
177.09103	1.8
177.12759	10.6
179.07037	1.9
179.14290	4.6
185.05917	3.3
185.13258	10.2
187.11092	1.7
189.12729	11.6
189.16362	3.2
190.13474	2.2
191.14291	12.5
199.14760	10.2
201.16348	11.7
203.10732	2.0
203.14336	12.3
217.15895	8.9
219.17410	2.8
221.11795	2.8
229.04924	19.6
231.04901	4.7
231.14139	1.9
232.63191	1.6
241.19382	8.2
242.62317	2.2
259.20538	67.5
274.13815	1.8
277.21579	100.0
278.22028	2.1
301.21475	2.5
343.13791	2.6
367.23224	2.7
506.73087	1.8
525.27362	13.8
547.49054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05456	6.7
55.01854	6.6
55.05507	19.6
56.05025	6.7
57.03416	11.0
67.05486	45.1
69.03396	21.6
69.07043	40.9
70.06574	12.9
71.04973	19.8
71.68993	10.0
79.05476	34.7
81.03360	7.3
81.07035	100.0
83.04965	19.9
83.08591	9.2
84.04476	6.5
84.10843	7.1
85.02890	23.1
85.06520	25.6
91.05460	23.9
91.06721	6.6
93.07014	71.1
95.04974	7.6
95.08585	94.9
97.02882	12.4
97.06531	14.3
97.10175	9.8
99.08099	9.6
105.07020	49.2
107.08577	57.6
109.06487	6.8
109.10150	70.6
111.08007	9.1
113.09632	15.4
119.08575	48.2
121.10148	62.1
123.11668	18.9
125.09545	8.8
129.09134	9.8
131.08546	16.0
133.10114	24.8
135.11650	47.6
137.09619	25.4
139.11142	31.1
143.08551	12.1
145.04987	12.8
145.10081	15.6
147.11632	23.0
149.13202	16.6
151.11096	11.4
154.82204	6.9
155.10672	9.6
157.12221	10.0
159.11670	18.5
161.13177	17.3
163.09779	10.6
163.14723	12.5
165.05397	9.1
173.13245	9.4
175.14845	12.2
181.12167	12.0
187.14767	7.7
189.16356	10.5
199.13347	6.9
201.11238	7.2
203.17813	8.5
203.51888	6.5
211.16881	8.1
230.90495	6.4
243.94292	6.6
252.39711	6.7
255.21054	16.6
273.22192	9.0
279.23322	7.4
291.23096	23.9
308.22092	7.6
309.24127	30.0
327.23465	13.2
345.24847	23.3
353.11218	8.2
362.25443	11.1
363.25623	24.6
364.27960	7.7
454.80701	7.0
493.16934	23.1
494.18958	18.3
525.28699	9.3
533.81335	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	525.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.1
57.07057	7.2
67.05492	26.2
69.03405	9.0
69.07066	35.7
70.06580	10.7
70.08293	30.3
71.04981	14.3
79.05469	11.6
81.03424	8.5
81.07053	100.0
83.08596	17.5
85.02895	12.8
85.06521	15.4
89.85993	6.4
90.64568	5.7
91.05463	8.4
92.01578	5.4
93.07020	32.9
95.08593	85.9
97.02886	9.2
97.06523	8.2
97.10128	6.5
99.08086	6.6
105.07022	14.3
107.08567	31.2
109.10136	61.8
111.11671	13.6
119.08530	8.6
121.10135	16.7
123.11704	47.0
127.03922	7.2
127.11184	9.7
133.10118	10.1
135.11679	22.0
137.13235	22.0
138.09111	8.1
144.06523	30.2
145.06902	8.8
149.13231	28.9
151.14815	10.7
153.12723	10.0
155.14316	7.8
159.84070	5.5
163.14729	10.8
196.92897	6.8
203.18015	6.8
217.08769	6.6
217.19533	8.0
273.25699	8.0
277.14117	9.6
279.26840	16.6
289.05078	8.7
291.26859	37.0
309.27698	20.0
311.10016	5.9
329.11581	6.3
361.13980	8.1
465.18130	6.1
526.21405	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	526.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48861	1.0
60.04496	3.6
65.03899	0.9
67.05485	2.0
68.05017	2.1
69.03411	3.0
69.07040	4.2
69.12410	1.2
70.06555	3.9
70.87415	2.8
72.04495	1.8
72.08140	1.2
79.05461	1.1
80.04996	2.2
80.55140	1.0
81.03397	2.0
81.07034	2.2
84.08131	1.9
85.02887	5.3
86.09676	2.0
91.05454	1.2
93.07033	1.4
94.06557	4.7
95.04964	1.4
95.08569	2.7
96.04485	1.1
97.02887	2.0
99.04417	1.0
109.02875	1.1
109.10125	1.7
110.06031	1.5
117.03349	1.1
122.06020	7.7
123.04372	1.7
124.03921	1.6
127.03876	1.6
127.68158	0.9
131.76357	0.9
132.06534	3.6
137.09598	1.0
138.05479	3.0
140.07024	13.4
144.04404	2.9
146.05949	3.8
148.07477	1.1
149.05937	1.6
152.07043	1.2
156.00960	1.1
162.05412	1.6
164.07124	1.1
165.05443	2.0
172.03932	5.6
174.05481	3.7
176.06952	1.2
190.04942	3.9
198.11414	1.3
204.06534	6.9
206.08101	3.3
209.10652	2.5
211.12227	1.1
212.09283	1.6
221.10738	1.1
222.07753	2.0
223.12263	3.6
224.09282	1.6
225.10172	8.5
235.08702	3.5
236.09297	5.3
237.07883	2.0
237.10170	21.5
238.10802	1.9
239.11760	3.6
249.10168	4.7
250.07153	1.2
250.10956	4.4
251.07994	1.4
251.11731	19.7
252.08897	4.4
252.12389	2.4
253.09668	6.5
253.13167	1.4
255.11118	2.8
261.12265	1.9
263.11816	2.1
264.09012	1.5
265.06989	2.1
265.09668	28.6
266.10324	5.3
267.11270	17.6
278.06482	1.9
279.11169	23.0
280.11926	3.0
281.12704	2.5
283.10678	3.6
284.11533	1.6
285.12314	3.9
287.10312	1.4
293.09183	21.1
294.09955	4.6
295.10699	19.9
297.12256	5.9
303.05026	1.8
307.10669	6.3
309.12283	4.6
310.23782	1.4
311.10181	3.1
312.10989	3.2
313.11755	18.9
317.10217	2.1
325.11737	29.1
326.12430	1.3
328.24701	3.1
331.12814	2.1
335.10205	15.0
337.11801	1.4
345.14502	5.2
346.25827	5.5
353.11249	100.0
354.11789	3.8
355.12665	4.4
364.26920	12.0
369.14920	1.2
371.12076	1.2
377.01727	1.6
385.13943	13.6
387.15717	1.3
403.43539	1.0
450.19922	1.2
452.17792	1.8
466.19720	3.2
476.18091	1.8
494.19128	56.1
495.19354	1.7
512.61249	1.1
526.22180	2.4
526.23828	2.0
526.32184	10.2
527.17181	1.2
534.46973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
67.05479	3.6
69.07051	7.4
69.98255	1.4
70.06573	3.0
70.09213	7.2
79.05486	3.1
81.07032	2.9
82.06564	4.5
85.02905	2.9
91.05465	2.6
93.05738	1.8
93.07025	2.7
93.30901	1.9
94.06541	11.4
96.08118	12.0
97.06504	2.7
105.07011	1.8
106.06583	2.3
106.63167	1.3
108.04475	4.0
108.08112	11.9
110.09662	11.3
115.05521	1.5
116.04934	8.9
119.08589	1.9
120.08068	7.9
122.06024	15.1
124.07570	39.3
131.74057	1.3
134.06013	2.0
136.07550	10.4
138.05447	1.5
138.09109	12.7
140.07031	17.6
144.04402	10.9
145.10110	1.6
146.05974	13.2
148.07542	4.7
152.07040	6.3
154.08517	1.8
160.03947	3.5
160.07501	1.7
162.05507	3.4
163.03812	2.0
165.73853	1.5
166.05038	3.2
166.08604	32.7
168.06548	4.3
172.03902	42.2
174.05566	7.5
177.05432	1.5
190.04953	58.5
192.06627	2.1
204.06537	31.3
205.29552	1.5
206.08118	4.8
207.09158	2.0
209.10625	2.0
211.12373	2.1
212.09296	3.2
221.10803	1.6
223.12260	3.1
224.09338	1.8
225.10217	8.3
235.08652	4.7
236.09435	6.4
237.10193	15.4
237.86209	2.0
241.09828	2.0
249.10240	5.1
250.11028	4.1
251.08360	1.6
251.08990	2.1
251.11748	22.3
252.09001	4.6
252.12465	1.6
253.09680	7.4
253.13289	3.3
255.11314	3.9
264.08954	3.4
265.09723	23.9
266.10309	4.1
267.11237	13.8
278.06592	4.2
279.11157	22.5
280.11890	1.8
281.09167	2.0
281.12918	2.9
283.10718	4.7
284.11319	1.6
285.12271	4.3
287.10223	3.5
293.09186	20.1
294.10080	3.7
295.10699	18.2
296.11459	1.7
297.12259	21.7
298.12683	1.6
299.10217	5.6
299.13654	2.7
307.10687	10.4
309.12292	5.2
311.10376	3.6
312.10925	1.7
313.11761	20.4
323.10223	6.9
325.11780	92.5
326.12411	2.1
327.13513	2.0
329.11264	18.8
331.13016	2.5
335.10187	15.4
337.11722	2.3
341.11340	12.1
343.12848	15.4
345.14554	4.0
353.11246	76.6
354.11703	3.4
355.12820	4.5
357.14697	2.8
361.13980	2.0
371.12372	4.1
373.13858	2.1
385.13773	13.7
386.14474	2.1
448.18600	4.2
450.20325	2.5
452.18124	6.8
466.19479	4.1
476.18298	11.9
494.19141	100.0
508.20700	4.3
526.22839	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	527.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
55.01852	2.5
55.05237	0.7
55.05500	12.0
57.03441	3.2
57.07045	1.6
65.03920	1.4
67.05489	24.7
69.07056	9.7
71.04990	1.5
76.97903	0.6
79.05477	16.1
81.03401	6.6
81.07040	21.8
83.04955	1.6
83.08605	6.6
85.06521	2.4
91.05461	15.6
93.07029	17.1
94.30241	0.6
95.04935	2.8
95.08589	13.8
97.06521	1.2
97.10162	3.7
98.10483	0.6
99.08076	0.6
101.79415	0.6
103.05484	0.9
105.04478	0.5
105.07008	14.9
107.04918	1.2
107.08568	9.8
109.06479	1.4
109.10140	6.0
111.08045	1.0
112.89780	0.7
115.05459	1.2
117.07001	10.6
117.07815	1.2
119.08556	10.7
121.10118	7.3
123.08086	1.2
123.11674	1.4
125.09578	3.1
128.06194	2.6
129.06981	12.2
129.92000	0.7
131.08540	16.5
131.09459	1.2
133.10097	7.1
135.07878	0.8
135.11687	4.3
137.09595	0.8
139.11090	0.6
141.06934	5.4
142.07733	2.9
143.08528	15.5
145.10103	14.3
147.11641	4.4
149.09604	1.4
149.13223	2.4
153.06984	1.0
154.07748	0.7
155.08540	8.2
156.09300	1.4
157.10097	14.8
159.11674	9.9
161.09537	0.7
161.13229	1.8
165.06970	0.8
167.08492	3.5
168.09280	1.4
169.10092	10.3
171.11661	11.3
173.13194	5.0
175.11137	1.7
175.14822	1.0
179.08522	1.4
181.10120	4.6
183.11646	9.4
184.12231	0.7
185.13239	7.5
187.14812	2.4
189.11182	1.2
193.10188	1.1
193.12248	3.2
195.11671	4.8
196.12456	0.9
197.13188	7.2
199.11415	0.6
199.14767	3.7
201.16196	1.0
207.11713	1.6
208.12411	0.7
209.13203	3.8
211.14769	3.5
213.16365	2.9
221.13211	1.5
222.13927	0.7
223.14827	2.8
225.16425	1.6
227.17981	1.2
235.14748	1.8
235.16948	0.7
237.16345	2.0
239.18013	1.7
241.19536	0.9
249.16324	0.9
257.18948	0.8
261.22095	1.1
263.17972	0.8
267.17465	0.9
269.19104	0.9
281.18829	1.4
283.20578	1.7
285.18488	0.8
291.21024	0.8
293.22565	0.8
295.20456	0.7
297.22104	2.0
299.20071	0.7
299.23483	1.1
301.64645	0.8
309.22055	1.2
311.23703	2.0
313.21613	0.8
315.23041	1.1
323.23676	1.7
325.25238	0.9
327.22913	1.0
335.23428	0.8
337.25165	1.2
339.23041	1.0
341.24695	0.7
349.25293	1.5
365.24857	0.9
379.26035	0.6
381.71722	0.7
407.33362	1.0
417.31689	4.2
433.30478	0.8
435.32520	13.7
453.33658	7.5
471.34689	2.9
473.34238	1.3
491.35257	1.5
509.36252	10.0
527.37225	100.0
528.37415	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	527.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01848	2.2
55.05506	13.4
57.03418	3.5
57.07058	1.7
57.43277	0.8
65.03917	1.6
67.05139	1.5
67.05493	26.8
69.07050	11.0
70.00987	4.4
71.04983	1.4
71.72156	0.8
72.98492	0.7
79.05483	19.1
81.03414	0.8
81.07043	23.7
82.90658	0.7
83.04967	1.8
83.08604	5.6
85.06539	1.0
91.05466	16.6
93.07024	18.9
93.07584	1.2
94.63760	0.8
95.04947	2.9
95.08588	15.8
97.06516	1.7
97.10153	3.3
105.07011	18.4
107.08576	11.1
109.06439	1.3
109.10130	7.9
111.08048	1.1
111.69700	0.7
115.05463	1.2
116.06286	0.8
117.07000	11.4
119.08565	15.2
121.06584	0.9
121.10120	7.6
123.08067	1.9
123.11669	2.0
125.09609	1.9
128.06215	2.9
129.06981	14.1
129.07863	1.4
130.07791	1.3
131.08542	20.4
133.10121	10.6
135.11644	4.7
141.06940	5.2
142.07761	3.0
143.08531	17.5
144.09314	1.9
145.10110	15.2
147.11655	5.7
149.09602	0.9
149.13263	1.9
155.08536	9.6
156.09319	1.3
157.10104	15.8
159.11668	14.9
161.13225	2.5
163.11099	0.9
167.08572	3.0
169.10097	12.9
171.11667	12.4
173.13223	7.2
175.11133	0.9
175.14822	0.9
179.08553	1.4
181.10110	6.4
182.10818	1.6
183.11681	13.3
185.13194	8.9
187.14903	1.7
188.68350	0.8
193.10104	2.1
195.11642	7.0
197.13235	9.5
199.14793	7.2
207.11679	2.1
209.13287	6.5
211.14789	5.9
213.16382	2.6
221.13235	2.3
223.14836	4.2
225.16254	1.8
233.15207	1.0
235.14787	2.9
237.16428	3.0
239.18025	1.4
253.15878	0.9
259.20645	1.5
263.18082	0.9
271.20419	0.9
273.18903	1.1
279.21146	0.9
285.22211	1.1
295.20593	1.0
297.22223	1.6
299.20148	1.2
309.22171	2.1
311.23764	1.6
313.21558	1.3
315.23138	1.4
323.23633	1.6
325.21710	1.0
327.23129	1.1
335.23431	0.8
337.25241	1.9
341.24811	1.3
353.24738	1.5
361.24838	0.9
365.24585	0.9
379.26434	1.0
407.33228	1.3
417.31537	5.7
429.30551	1.2
431.71857	0.8
435.32529	18.8
436.32690	1.3
453.33572	9.3
471.34796	2.9
473.34134	1.7
491.34927	1.9
509.36179	11.1
527.37244	100.0
528.37726	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	527.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01855	2.0
55.05236	0.9
55.05502	15.8
57.03432	2.7
57.07067	1.3
65.03918	1.8
67.05493	28.8
69.03404	0.9
69.07059	10.6
71.04977	1.6
75.38202	0.5
79.05482	19.6
79.66399	0.5
81.03404	8.4
81.07041	24.5
83.04961	2.1
83.08604	8.2
85.06520	1.4
91.05465	18.5
91.06042	1.0
93.07028	20.9
95.04955	5.2
95.08588	15.9
97.06497	2.2
97.10155	4.7
98.21457	1.2
99.08098	0.8
104.63253	0.6
105.04484	0.8
105.07012	18.4
105.07722	0.9
107.04935	1.2
107.08575	11.5
109.06485	1.1
109.10137	7.6
111.08046	2.1
115.05433	1.1
117.06996	9.7
118.07459	0.5
119.08560	13.7
121.06490	0.8
121.10124	7.7
123.08050	1.3
123.11685	1.4
125.09613	2.9
128.06192	2.6
129.06981	9.8
130.07770	0.9
131.08548	15.2
133.06519	0.5
133.10104	10.0
135.08003	0.6
135.11667	3.8
137.09531	0.6
139.11148	0.7
141.06963	2.9
142.07707	2.8
143.08543	12.0
144.09184	0.7
145.02838	0.6
145.10088	14.6
147.11649	5.6
149.09641	0.9
149.13246	3.1
153.06940	1.0
153.09021	0.6
155.08507	6.9
156.09334	1.6
157.10094	11.9
159.11664	12.9
161.09677	0.6
161.13179	3.1
165.06972	0.7
167.08450	2.6
169.10094	7.9
170.10686	0.6
171.11661	9.8
173.11803	1.0
173.13202	6.9
175.11194	1.4
175.14836	1.7
177.05440	1.5
181.10107	4.0
183.11670	9.0
185.13223	7.1
187.14786	3.3
189.11197	2.3
189.12700	0.6
191.14397	0.8
193.10243	1.2
193.12242	5.7
195.11716	3.8
195.13484	0.7
197.13235	5.2
199.14804	4.6
201.12912	0.6
201.16345	1.6
205.10048	0.7
207.11665	1.1
209.13197	3.6
211.14760	3.4
213.12660	0.5
213.16345	2.4
221.13176	1.1
222.46725	0.6
223.14792	2.1
225.12564	0.7
225.16400	2.3
227.18126	0.7
235.14688	1.3
235.16910	0.6
237.16324	1.2
239.17964	1.1
241.19495	1.0
249.16536	0.8
255.17357	0.9
257.18933	0.8
259.20630	2.3
261.22079	2.0
263.17896	0.8
265.19330	0.7
269.18997	0.8
271.20575	0.6
283.20563	0.9
285.22046	1.2
287.20004	0.6
295.20517	1.0
297.22183	1.2
299.20142	0.9
299.23587	1.2
301.21829	0.7
301.25070	1.1
309.22195	1.1
311.23724	1.3
313.21594	1.0
315.23264	1.7
323.23605	1.1
325.25354	1.0
327.23044	1.4
329.24750	0.8
335.23755	1.0
337.25244	1.0
341.24823	1.1
353.24850	0.8
361.25467	0.7
375.39935	0.6
417.31577	3.1
425.34174	1.2
435.32553	11.8
436.32843	1.0
453.33600	8.2
471.34525	6.4
491.34943	1.1
509.36160	6.0
527.37244	100.0
528.37463	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	527.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01863	1.6
55.05501	12.7
57.03420	2.6
57.07066	0.9
65.03925	1.2
67.05495	21.9
69.07053	12.2
69.44965	3.4
69.45390	5.3
69.91973	0.7
71.04974	1.2
73.75129	0.8
79.05479	14.9
81.07042	24.6
83.04959	2.2
83.08607	6.6
85.06522	1.0
91.05460	16.5
92.05764	0.8
93.07029	18.8
93.07590	1.5
94.09281	0.8
95.04951	2.6
95.08582	16.5
97.06503	1.7
97.10134	3.4
105.07015	17.7
105.07715	1.5
107.08574	9.8
109.06519	1.1
109.10151	6.0
111.08128	0.9
115.05423	1.2
117.06257	1.3
117.07001	12.1
119.08553	11.8
121.10107	5.4
123.08058	1.6
123.11687	2.2
125.09588	1.5
128.06200	2.9
129.06973	13.8
130.07782	1.6
131.08545	18.5
133.10106	11.2
135.11673	2.9
139.11119	1.1
141.06960	5.6
142.07780	4.3
143.08534	19.5
144.09363	0.9
145.10088	15.7
147.11691	5.7
149.09607	1.0
149.13228	1.6
155.08534	10.5
156.09251	1.9
157.10098	15.0
159.08098	0.9
159.11673	11.8
161.13235	2.3
165.07008	1.0
167.08534	3.5
168.09273	1.2
169.10106	10.5
171.11671	13.7
172.12215	0.9
173.13197	7.5
175.14784	1.2
181.10080	6.1
182.10953	1.3
183.11671	11.4
185.13231	10.6
187.14772	3.4
193.10152	1.9
195.11658	5.2
197.13228	7.4
199.14809	5.1
207.11679	2.1
209.13190	4.5
211.14781	4.8
213.16394	3.2
215.17961	1.0
221.13235	2.6
223.14738	4.2
225.16394	3.2
227.17908	1.2
235.14723	2.5
237.16371	2.6
239.17883	1.6
251.17938	1.5
253.19539	1.0
259.20508	0.9
265.19595	0.8
269.19089	1.4
283.20493	1.6
297.21909	1.9
299.19882	1.1
301.12189	0.9
309.22031	1.7
311.19968	0.9
311.23575	1.7
323.23615	2.4
329.24725	1.1
335.23602	1.4
339.23026	1.5
339.26929	1.1
341.24442	1.5
349.25055	1.0
353.24603	1.0
355.26437	1.1
407.33270	1.9
417.31506	5.6
425.29343	0.9
435.32556	17.5
453.33505	8.2
471.34760	3.1
473.33896	1.6
491.35062	1.6
509.36154	10.5
527.37213	100.0
528.37421	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	527.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
54.61345	0.7
55.01863	1.5
55.05504	15.5
57.03432	4.1
57.07048	1.4
59.04984	1.1
60.14197	0.7
62.33838	0.7
65.03945	1.7
67.05138	1.5
67.05495	28.8
69.07056	11.7
71.04978	1.8
78.90243	0.8
79.05482	22.2
81.03404	6.8
81.07044	26.9
83.04960	3.1
83.08601	9.9
85.06513	1.4
91.05464	17.9
93.07032	19.0
95.04945	5.0
95.08592	16.2
97.06509	2.9
97.10145	4.3
105.07009	17.1
107.04967	1.2
107.08585	13.5
109.06493	2.0
109.10145	7.0
111.08081	1.7
115.05434	2.5
117.06985	10.5
119.08572	15.7
121.10117	7.4
123.08012	1.0
123.11707	1.1
125.09596	4.0
128.06203	3.0
129.06992	12.4
130.07721	1.5
131.08553	19.7
133.10110	7.6
135.11674	4.6
139.11131	1.3
141.06984	5.0
142.07756	3.4
143.08539	13.0
144.09378	0.8
145.10103	15.7
147.11646	4.9
149.09523	0.9
149.13226	1.7
153.06963	1.2
154.07736	1.1
155.08539	10.5
156.09305	1.4
157.10100	17.1
159.11665	12.4
161.13277	1.7
163.14812	1.4
165.12874	0.8
167.08542	3.3
168.09338	1.0
169.10123	10.7
171.11664	12.7
173.13226	6.8
179.08504	1.6
181.10112	5.2
182.10910	0.8
183.11656	12.4
185.13232	7.5
187.14803	3.4
189.11250	2.2
192.09380	0.9
193.10092	2.4
193.12183	4.3
195.11668	5.4
197.13264	7.7
199.14836	5.0
201.16414	1.0
203.60886	0.9
205.10214	0.8
207.11638	1.9
209.13284	4.8
211.14789	4.0
213.16365	2.3
221.13266	2.7
223.14824	4.3
225.16338	1.9
227.17984	1.0
229.15836	0.9
235.14816	1.9
237.16382	2.5
239.18092	1.2
241.19540	0.9
251.17996	1.3
256.10983	1.0
261.22153	2.0
263.18097	1.3
273.18695	1.0
283.20703	1.8
285.22052	0.9
297.22147	1.5
301.25269	1.0
309.22040	1.8
311.24002	1.0
313.21515	1.2
319.24188	0.8
323.23611	2.4
327.23022	1.4
335.23532	1.5
337.25122	0.9
341.24738	1.9
347.23709	1.1
353.24805	1.7
357.55280	0.8
379.26242	1.1
407.33234	1.2
415.28970	1.0
417.31583	6.1
435.32529	19.2
453.33621	9.5
471.35016	3.8
473.34171	1.9
491.34909	1.8
509.36343	9.0
527.37268	100.0
528.37573	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	528.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16443	1.5
55.01852	4.6
62.42055	1.5
66.47968	1.4
67.05473	2.6
68.05032	2.5
69.03422	2.1
70.06572	5.1
71.70280	2.5
72.08150	1.9
74.06056	4.4
79.05482	4.3
80.05007	2.2
81.07038	5.6
85.02890	1.8
91.05476	4.1
93.07039	2.8
95.08601	1.6
96.08105	4.0
105.07006	2.2
107.04928	2.2
107.08568	3.0
108.08081	3.1
109.06491	1.7
110.06025	4.0
118.06485	2.0
119.08594	3.1
120.08096	2.2
122.05937	2.4
122.09657	2.5
124.03942	4.4
124.07574	54.8
125.05896	1.4
125.08353	5.0
126.08244	2.4
126.09138	39.4
127.03819	1.6
129.06952	2.4
129.07996	1.3
132.08015	1.9
138.09114	4.5
144.08076	2.2
145.07558	3.5
146.09605	2.1
147.04398	2.0
148.07571	2.3
150.09149	3.2
156.08041	3.4
157.07607	3.3
158.05927	1.7
158.08383	4.5
160.07568	2.3
164.10669	17.1
168.10196	1.6
171.09155	7.7
172.07556	1.7
172.09911	1.5
173.07135	2.7
173.10774	2.3
174.05429	2.7
174.09175	3.3
175.03856	1.8
176.07063	1.7
176.10718	2.0
177.05415	3.6
180.06566	1.9
183.09181	3.1
184.07533	2.8
185.07094	5.4
186.07806	5.0
187.04961	2.1
187.08684	2.8
189.06523	3.8
192.10181	33.1
199.04919	2.1
199.08640	19.9
200.07144	3.0
200.09433	4.5
201.06546	16.3
201.10155	8.3
202.05084	1.6
203.08139	4.4
204.06551	1.7
211.08640	4.2
212.07080	2.1
213.06522	4.9
213.10225	4.1
214.07251	1.9
215.04498	3.1
215.08122	5.8
217.06007	1.8
217.09663	10.7
227.08093	14.8
228.08920	4.9
229.06044	5.5
229.09685	8.5
230.06706	2.2
230.10361	1.9
231.04106	3.1
231.07693	8.4
231.11246	6.2
233.09184	2.4
237.06641	2.4
239.08104	6.5
241.06047	4.6
241.09665	13.0
242.06891	2.1
243.07661	7.7
245.09210	12.6
255.07558	16.5
256.08347	13.1
257.05624	10.2
257.09174	100.0
258.09702	3.3
259.07196	4.4
259.10757	4.8
261.08746	2.9
267.07645	4.2
268.06076	2.1
269.09119	11.2
271.07089	5.1
271.10425	2.2
272.08026	7.1
273.05753	3.1
273.08646	33.1
274.09457	4.5
275.06351	1.7
281.09210	3.1
283.07120	31.5
283.10312	2.2
284.07803	5.8
285.08649	44.6
286.09518	10.9
287.07019	1.4
287.10205	45.1
289.08130	4.3
289.22653	1.9
297.08701	12.0
298.09512	3.0
299.10266	13.6
301.08136	26.6
303.09824	9.7
305.07709	4.7
313.11700	1.7
315.09680	20.1
319.09363	2.1
321.08548	1.9
325.08096	7.8
327.09738	14.8
328.10306	2.1
329.07593	35.4
329.11310	17.3
335.14035	3.4
343.09167	18.1
345.10657	2.7
351.13312	28.4
357.10931	3.5
358.11520	1.9
363.13354	2.1
376.16809	2.1
380.15643	2.6
381.14502	1.7
394.17429	2.8
422.17157	18.2
423.12006	8.1
424.18582	13.7
426.20102	5.9
434.17068	4.9
440.18039	4.9
450.16571	29.1
452.18109	78.9
453.18549	3.6
454.19720	51.0
455.20126	2.8
456.96039	1.7
468.17621	19.0
478.16174	19.5
482.19101	34.3
496.17096	81.0
497.17596	2.6
510.11597	2.0
510.18726	26.3
514.18091	14.6
528.19745	6.3
528.26532	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	528.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.2
63.05663	0.8
65.03925	1.8
69.03407	1.1
69.86174	6.1
70.06575	3.5
72.08143	30.5
74.85161	0.9
75.09200	1.5
77.03926	1.4
81.03391	1.1
84.08121	5.0
85.02910	1.3
86.09661	1.2
89.03902	5.9
91.05461	25.9
93.06973	1.1
95.04971	1.0
100.07642	1.0
108.01064	0.8
110.41924	1.0
112.11236	7.7
117.03354	18.5
119.04928	40.5
119.08577	1.0
121.02787	0.8
129.10364	0.8
129.13857	7.1
132.02098	1.6
134.03615	1.2
135.04408	1.9
138.12523	0.9
145.02827	59.4
146.16536	5.4
147.04387	33.6
149.02409	0.9
149.05974	6.8
155.11833	2.7
157.03926	2.3
163.03838	1.5
166.08493	0.9
174.05466	1.4
174.75894	0.9
175.03880	60.7
176.04349	1.1
177.05449	80.5
178.05846	1.9
179.07022	2.5
186.05392	1.2
207.06499	70.9
233.12921	1.3
234.11194	27.7
248.12944	5.1
251.11684	1.1
251.14084	1.0
253.16853	1.0
264.12259	30.1
278.13834	1.0
281.14957	2.3
299.09656	1.2
303.05048	2.2
304.20111	2.6
305.18488	6.0
322.21198	39.0
323.09409	1.2
331.12869	1.1
334.21249	2.4
335.19730	3.7
347.26117	1.2
352.22247	28.9
353.10989	1.3
354.11499	1.7
355.11774	1.4
373.13708	1.3
405.93753	1.2
421.12326	0.9
443.13702	3.2
484.59811	1.0
496.19849	2.8
511.24350	16.7
528.26965	100.0
529.27136	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	529.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.6
55.01868	11.5
55.02094	1.8
55.05500	23.0
57.03431	17.3
61.02914	44.3
61.58856	2.0
63.58969	2.0
64.65331	2.1
65.03930	3.0
67.05492	53.7
69.03419	30.2
69.07059	29.4
70.42725	1.9
71.01329	3.1
71.04971	9.3
71.09657	5.1
73.02903	22.3
76.95314	2.1
79.05476	52.4
81.03397	20.0
81.07040	100.0
83.04965	14.5
83.08604	15.6
85.02891	43.3
85.06527	5.1
87.04500	2.1
91.03941	24.1
91.05458	41.9
93.07027	47.4
95.04946	14.2
95.08595	42.8
97.02872	35.7
97.06512	17.7
97.10164	6.8
99.04421	8.0
99.08089	4.1
99.95255	2.0
101.02365	12.0
103.03931	6.6
103.05455	2.8
105.07010	53.9
107.04941	18.3
107.08570	32.5
109.02853	10.9
109.06489	26.9
109.10156	14.7
111.04366	3.3
111.08060	8.2
115.03957	3.1
115.05421	3.2
117.05453	2.8
117.07034	13.7
119.08555	43.5
121.06474	10.4
121.10127	23.3
123.04433	3.9
123.08047	13.3
123.11681	18.3
125.09614	8.2
127.03896	16.0
128.06241	2.1
129.05461	2.9
129.06969	5.1
131.04858	2.1
131.08539	21.4
133.06413	2.7
133.10107	26.3
135.08032	6.8
135.11664	9.8
137.09575	13.1
137.13312	2.6
141.06885	2.5
142.07729	3.7
143.08528	12.8
144.09375	3.0
145.04942	5.9
145.10095	42.1
147.08017	3.5
147.11655	35.1
149.09595	12.0
149.13237	10.1
151.07494	3.8
151.11143	4.8
155.08597	3.4
157.10092	13.1
159.08017	4.5
159.11681	25.7
161.09576	8.7
161.13219	9.3
163.07642	2.4
163.11137	13.1
163.14774	3.3
165.12714	8.8
167.14258	2.6
169.10130	5.6
171.10301	2.1
171.11685	8.1
173.09512	2.7
173.13240	7.1
175.11150	8.0
177.12727	7.7
179.14319	5.2
181.10022	2.6
183.11722	5.6
183.13722	2.4
185.13232	5.0
187.11130	10.8
189.11218	4.3
189.12762	4.4
193.12265	4.5
195.11646	2.7
201.07590	3.8
201.12717	3.6
203.14217	3.3
205.12236	13.4
209.13403	3.0
217.08647	3.3
227.12701	3.2
229.19368	4.0
247.20584	4.8
255.17415	2.3
257.18976	11.1
275.20010	85.9
283.20572	3.8
293.21124	22.8
306.29495	2.3
347.23431	2.8
349.23718	27.3
365.24673	5.0
367.24710	58.1
383.25803	3.2
389.30426	3.7
391.25052	2.8
395.24326	2.6
407.25565	3.5
457.20108	2.2
511.28281	2.2
529.29926	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	529.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44434	3.4
53.95875	4.0
55.01853	4.0
55.05493	14.4
57.03420	12.5
60.23006	3.5
61.02908	8.0
67.05490	23.8
69.03399	7.8
69.07045	11.1
70.06587	3.3
70.22289	18.2
71.04969	5.6
73.02919	3.3
79.05479	20.7
81.03394	8.0
81.07040	29.9
83.04972	5.1
83.08592	6.4
85.02869	9.9
91.03929	4.9
91.05463	23.5
93.07025	25.7
95.04939	9.9
95.08620	22.8
97.02861	8.5
105.07037	25.1
107.04944	8.8
107.08575	13.8
109.06492	11.6
109.10168	17.0
116.79415	3.6
117.07024	7.9
118.50637	3.5
119.08551	12.8
121.06477	12.3
121.10121	13.4
123.08039	5.6
127.03870	5.6
129.06987	6.9
131.08549	19.0
133.10097	13.2
135.08067	6.2
135.11652	6.5
137.05905	4.8
141.06943	9.9
143.08528	3.7
145.10081	16.5
147.08066	4.1
147.11673	14.3
149.09593	10.4
151.11069	4.3
154.59796	3.4
154.88451	3.5
155.08432	4.2
157.10126	5.8
159.11563	5.1
163.11209	5.5
169.06409	4.4
173.13193	6.7
182.52875	4.0
199.03801	5.6
214.06241	9.7
243.06479	8.1
247.20607	4.9
253.05148	4.0
257.08047	20.9
257.19022	7.4
275.20007	67.9
285.07520	47.0
293.21045	4.6
349.23648	100.0
367.24756	11.0
394.38483	3.6
503.93631	4.2
529.33423	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	529.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.8
55.01854	2.0
55.05501	19.3
57.03410	3.2
57.07050	1.8
62.08286	0.8
65.03917	3.3
67.05492	56.1
69.07054	18.5
71.04983	3.0
79.05478	45.7
81.03393	2.3
81.07041	60.9
83.04957	2.6
83.08601	10.7
85.06513	2.9
91.05463	31.8
92.48826	0.9
93.07029	50.4
95.04935	6.5
95.08004	1.8
95.08591	26.9
97.06515	6.5
97.10139	3.4
99.08088	1.0
105.04520	1.3
105.07008	22.0
107.08571	24.7
109.06513	1.2
109.10140	11.1
111.08037	3.1
115.05388	1.0
117.06998	10.4
119.08556	17.4
120.16150	0.9
121.10125	17.0
123.08073	1.8
123.11708	4.2
125.09553	1.0
128.06195	1.2
129.06984	5.1
130.07788	1.2
131.08545	18.5
133.10104	16.9
135.08102	1.0
135.11656	13.5
139.11261	0.9
141.07031	1.3
143.08517	5.5
145.10089	13.2
145.19188	0.9
147.11641	8.0
149.13234	10.0
151.11116	1.1
155.08517	3.1
157.10135	5.0
159.11664	12.0
161.13203	2.9
163.14818	1.5
169.10078	3.0
171.11665	5.1
173.13254	6.4
175.14807	2.1
177.12669	1.9
179.14001	0.9
181.10081	2.3
183.11662	3.0
185.13243	4.2
187.14798	2.8
195.11951	1.3
195.13728	7.1
197.13274	1.9
199.14787	2.9
201.16371	1.3
209.13254	0.9
211.14742	0.9
213.16454	1.0
223.14778	1.3
225.16383	1.5
249.68214	0.8
253.18059	1.1
254.31018	0.8
261.22165	2.5
285.21799	1.5
297.22253	1.0
299.23608	1.1
317.24783	1.1
319.16235	1.0
325.25211	1.5
327.22888	1.0
333.94531	0.9
403.90396	0.8
419.33182	2.1
428.58334	0.9
437.34106	8.7
455.35059	3.7
473.36191	1.1
474.35596	0.9
486.52682	1.0
493.36606	1.3
511.37759	5.8
529.38788	100.0
530.39258	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	529.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
53.03927	6.4
55.01855	1.7
55.05503	22.6
57.03420	4.9
57.07063	2.4
61.47814	1.2
62.24045	1.2
65.03923	4.0
66.30109	1.3
67.05492	77.2
67.69846	1.2
69.07053	21.2
69.13312	1.1
70.83114	4.1
71.04978	3.9
71.08646	1.2
79.05480	54.2
81.03403	1.6
81.07043	82.0
83.04967	5.2
83.08607	16.1
85.06527	3.5
91.05463	36.2
93.07029	79.8
95.04960	8.6
95.08590	39.7
95.09199	2.1
97.06513	9.9
97.10159	3.4
99.08060	2.1
103.05437	1.3
105.04483	1.9
105.07008	23.4
107.08577	39.0
109.06498	2.9
109.10143	12.7
111.08079	6.3
111.11704	1.2
113.01484	1.1
115.05362	1.6
117.07008	12.9
119.08559	17.2
121.10124	30.3
123.11650	3.0
129.06976	3.4
131.08540	19.0
133.10103	14.0
135.08022	2.1
135.11676	13.3
139.11131	1.9
141.06976	1.6
143.08580	6.4
145.10109	14.6
147.11697	7.9
149.13223	29.8
151.11160	1.9
157.10109	4.4
159.11658	15.9
161.13237	6.9
169.10104	2.4
171.11687	5.2
173.13190	6.7
174.37999	1.1
175.14743	2.1
177.12727	4.0
181.10097	1.3
183.11678	2.3
185.13251	3.0
187.14833	3.4
195.13686	6.9
197.13293	1.5
199.14900	1.7
211.14754	1.8
259.20551	1.5
261.22128	4.3
261.63736	1.3
299.23602	1.4
317.24878	1.5
372.18036	1.3
391.92059	1.4
437.34018	5.9
455.35315	3.2
473.36014	1.9
511.38000	3.7
529.38806	100.0
530.39288	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	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01854	2.3
55.05503	19.7
57.03430	4.8
57.07051	3.3
65.03917	3.2
67.05493	70.7
69.03407	0.9
69.07056	23.8
70.01670	3.3
70.02083	2.1
71.04967	4.6
79.05479	53.3
81.03402	2.1
81.07040	77.4
83.04970	5.6
83.08609	13.2
85.06535	3.3
91.05463	39.0
91.06042	2.0
93.07028	69.0
95.04947	10.1
95.08585	35.4
95.09199	1.9
97.06515	8.3
97.10148	3.0
98.20731	0.9
99.08054	2.2
105.04502	1.2
105.07008	19.2
107.08572	38.8
109.06512	2.7
109.10133	12.9
111.08055	4.1
113.09549	1.0
117.06989	11.1
119.08563	12.5
121.10127	25.3
123.08060	1.1
123.11677	2.0
129.06982	2.8
131.08548	16.7
133.10104	12.2
135.08054	1.0
135.11673	15.0
139.07520	1.1
139.11133	1.4
143.08559	3.9
145.10092	7.6
147.11629	7.4
149.09538	1.4
149.13229	28.1
155.08505	1.6
157.10118	3.6
159.11658	15.0
161.13240	3.0
163.14738	1.5
164.94019	1.0
171.11638	3.1
173.13220	6.8
175.14816	1.9
177.12691	4.5
183.11691	1.2
185.13248	2.1
187.14841	2.6
195.13737	6.9
197.13234	1.9
199.14787	1.1
213.14714	1.6
228.66693	1.0
242.97375	0.9
243.21127	1.0
261.22162	3.7
276.54214	0.9
285.22064	0.9
291.01965	1.1
312.76175	1.1
317.24759	1.1
345.48141	0.9
437.34192	4.3
455.34854	1.5
511.37830	2.4
529.38794	100.0
530.39288	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	530.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.05497	23.1
57.03422	17.7
59.66441	2.6
67.05493	33.3
69.03400	10.5
69.07053	7.8
69.88422	19.5
71.04967	5.3
79.05482	36.1
79.58883	2.4
81.02944	4.6
81.03406	81.9
81.07046	38.7
83.04967	23.5
83.08612	28.1
85.02889	36.7
87.04453	2.7
89.99564	2.5
90.24711	2.6
91.05459	42.0
93.07026	25.4
95.04955	34.7
95.08577	13.3
97.02840	4.5
97.06535	6.2
97.10153	3.3
105.07012	31.2
107.04950	7.9
107.08569	9.9
109.06498	8.9
109.10121	5.0
111.04411	2.6
111.08053	16.1
117.06976	3.8
119.08571	28.1
121.06491	4.5
121.10127	12.9
123.08021	4.3
129.06990	16.2
131.08553	13.6
133.06487	4.6
133.10118	15.4
137.09552	5.3
142.07764	5.8
145.10129	6.0
147.08020	4.0
147.11642	18.5
149.09592	9.7
157.10127	19.5
165.12775	3.7
175.11156	18.8
193.12218	77.4
209.97559	2.8
211.13243	100.0
249.91023	2.6
267.15875	30.5
285.16922	89.2
313.80096	3.2
459.27173	7.8
477.28311	11.3
495.29666	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	531.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	12.7
69.48885	10.5
69.49309	5.0
84.95994	7.1
87.00676	1.7
98.21482	2.9
98.97565	65.4
100.99104	2.6
110.97566	19.5
112.89591	1.8
112.99133	3.5
116.98604	27.9
124.95715	1.4
128.98586	26.0
131.00154	4.0
134.99643	5.7
140.98605	5.0
143.00136	18.4
146.99615	11.1
148.76877	1.5
149.01158	2.3
152.98518	1.6
158.99631	20.2
161.01231	16.6
161.02583	2.7
162.00296	2.0
162.38092	1.4
165.00720	4.7
170.99606	17.3
171.00786	1.9
173.01184	2.3
177.00699	18.5
179.02257	3.0
182.99568	13.7
183.01044	1.2
183.01848	1.8
184.03004	1.6
185.02917	2.5
189.00679	26.0
191.02283	2.7
195.01694	2.7
195.71082	1.6
197.59889	1.7
198.01170	2.2
201.00673	56.7
204.01079	1.9
207.01715	16.6
213.00598	2.5
219.01723	47.4
225.02864	7.0
231.01700	7.2
237.02798	24.3
243.01740	21.2
245.04991	3.3
249.02730	10.7
261.02762	100.0
262.03098	1.5
267.03952	2.2
273.02802	6.0
279.03809	64.1
291.03845	30.7
291.74863	1.6
302.05487	3.8
303.03696	4.1
309.04855	6.0
321.04874	84.7
333.04919	15.2
345.58923	1.7
351.05908	40.4
381.06979	27.3
393.06863	2.8
399.08054	29.2
422.09799	2.8
423.07568	1.8
471.10129	8.4
513.11230	33.6
531.12292	3.9
552.16803	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.7
55.01839	4.5
55.05276	2.0
55.05500	20.0
57.03403	5.8
57.07058	3.9
65.03923	4.4
67.05493	93.5
68.05815	1.9
69.03416	3.3
69.06700	1.6
69.07057	26.6
70.88127	5.3
71.04963	7.6
79.05026	3.4
79.05478	58.6
81.03406	4.1
81.07042	92.8
83.04966	10.5
83.08588	7.6
85.06512	7.5
87.04435	5.3
89.77435	1.9
91.05462	61.7
92.05775	2.3
93.07033	61.3
95.04955	11.8
95.08590	42.4
97.06493	5.6
97.10135	3.5
99.04345	3.7
99.08058	2.3
99.72646	2.0
104.05752	1.7
105.07011	59.1
107.08578	65.7
109.06488	9.6
109.10140	77.5
113.05972	3.8
117.07012	7.7
119.08556	17.0
121.10120	21.9
123.08042	3.0
123.11696	11.5
125.09570	2.7
127.07509	5.9
131.08549	14.4
133.10107	100.0
135.11671	18.7
143.08490	2.3
145.02817	2.5
145.10071	10.0
147.11650	4.6
149.13271	10.6
151.11160	54.9
159.11632	10.9
161.09561	2.8
161.13210	6.0
163.14771	3.4
169.12213	15.7
173.13223	4.3
177.05453	4.8
179.10558	2.4
187.14755	3.3
195.97540	1.9
199.14809	2.0
202.83298	1.9
215.12671	4.8
219.17360	1.7
243.21014	5.3
253.14313	86.0
261.22156	22.7
271.15256	4.0
283.15369	1.7
314.02811	1.7
317.24493	6.4
421.31067	2.9
439.32001	6.6
457.32855	5.5
513.35431	14.1
531.36694	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3673
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
53.03933	5.4
53.20901	2.1
55.01851	4.6
55.05265	3.1
55.05501	30.0
57.03426	11.8
57.07055	3.6
65.03939	2.6
66.91344	2.3
67.05140	3.8
67.05495	73.6
69.03393	3.5
69.07055	27.8
70.75901	4.9
71.04965	6.4
74.96786	1.7
79.05481	49.3
81.03386	2.2
81.07050	62.2
83.04951	6.5
83.08598	15.1
85.06526	4.5
91.05463	44.4
93.07034	49.3
95.04943	8.3
95.08588	43.5
97.06515	6.4
97.10162	13.2
99.08063	2.6
105.06328	4.2
105.07009	51.2
107.04939	2.0
107.08585	39.7
109.06512	4.5
109.10136	25.2
117.07010	22.1
119.08557	50.3
121.06511	3.9
121.10119	22.0
123.08016	6.7
123.11720	5.9
125.09608	6.5
128.06186	5.7
129.05475	2.0
129.07004	13.5
131.08539	42.6
133.06511	2.7
133.10115	36.0
135.11665	25.1
137.07530	2.2
137.09523	2.3
141.07011	3.9
142.07745	3.6
143.08557	23.8
144.09331	2.3
145.10098	46.2
147.08046	4.3
147.11665	27.3
149.09605	3.6
149.13252	6.9
151.11182	3.2
155.08505	10.2
156.09329	3.9
157.10121	24.6
159.08086	2.5
159.11642	37.9
161.09587	4.4
161.13272	18.6
163.11154	4.4
167.08539	3.1
169.10127	15.1
171.11693	27.5
172.12402	2.9
173.13237	21.2
175.11096	4.0
175.14772	8.2
179.08501	2.3
181.10088	9.7
181.12157	5.1
183.11690	15.8
185.13242	22.3
187.14830	11.5
195.11664	6.2
197.13292	16.3
199.13234	4.2
199.14825	15.5
201.16412	4.9
209.13245	6.2
211.14810	8.8
213.16373	5.9
215.17877	3.8
221.13123	3.3
223.14766	4.5
231.21060	3.0
235.14848	5.1
237.16319	3.8
241.19527	14.4
251.17905	2.9
253.14307	5.7
255.15771	17.9
259.20569	27.9
273.21957	2.2
279.20972	2.7
283.20532	3.6
285.22046	5.7
287.23489	3.0
291.20874	3.0
297.22089	4.0
299.23541	4.9
309.22107	3.8
311.23499	3.4
313.21527	2.6
315.23141	3.9
323.23575	3.0
327.23224	2.4
333.24182	13.2
335.23456	2.4
337.25357	2.8
352.75571	2.2
353.24600	2.3
391.29370	2.6
393.31329	6.2
403.29898	8.6
409.30981	6.7
411.32455	11.8
421.31042	29.7
427.32208	2.6
429.33591	5.1
437.79532	2.3
439.31958	25.0
457.33102	24.1
485.36133	11.6
487.34375	3.1
495.34750	11.3
501.35690	8.9
503.37280	41.9
513.35712	100.0
531.36664	51.0
532.36945	3.1
555.62128	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	531.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01870	2.1
55.05502	36.2
55.80175	1.6
56.40731	1.3
57.03423	5.7
57.07062	3.8
61.31494	1.3
65.03941	4.0
67.05493	77.5
69.03385	1.8
69.07061	29.6
71.04986	5.2
71.69668	2.7
73.06554	1.6
76.58091	1.4
77.03913	1.4
78.60075	1.6
79.05481	58.8
81.03415	3.6
81.07043	100.0
82.07396	1.4
83.04974	6.0
83.08598	16.8
85.06532	6.6
91.05467	43.2
93.06429	1.8
93.07030	63.6
95.04945	7.0
95.08591	85.8
97.06504	13.6
97.10142	8.2
99.08080	4.0
105.07013	31.7
107.08584	27.8
107.74519	1.3
109.06514	4.1
109.10132	23.0
111.08063	4.4
117.07033	7.5
117.55044	1.5
119.08558	31.7
121.10114	23.7
123.08098	4.8
123.11742	5.5
125.09606	2.7
128.06265	1.6
129.07013	3.6
131.08536	15.2
133.10104	22.1
135.11667	21.3
137.09634	3.3
137.13300	4.9
143.08548	3.4
144.30127	1.5
145.10092	13.0
145.11023	1.3
147.11642	10.6
149.13229	6.9
157.10187	4.7
159.11674	10.5
161.13225	29.6
163.14828	2.6
169.10300	1.9
171.11748	3.9
173.13214	7.0
175.14851	3.1
179.14310	9.5
183.11705	2.7
185.13292	3.4
187.14847	3.6
195.11623	1.5
197.13429	1.8
201.16267	1.6
218.99019	1.5
243.21123	3.5
253.17940	24.3
255.15970	2.3
259.20639	2.9
261.22061	7.7
287.23651	2.1
335.25754	12.1
405.25482	1.5
415.68500	1.6
439.35757	5.3
457.36813	2.4
503.37543	2.8
513.40503	7.1
524.43787	1.7
531.40546	64.4
532.40930	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40199	1.6
51.93657	1.8
53.03935	5.4
55.01872	1.9
55.05504	31.5
57.03434	4.2
57.07063	4.4
65.03925	3.4
67.05495	77.6
69.07060	27.2
71.04975	4.6
75.68810	1.6
79.05483	45.3
81.07045	75.8
83.08611	15.5
85.06534	5.3
91.05470	31.0
92.05769	1.7
93.07028	51.8
94.07343	1.9
94.44643	1.6
95.04965	6.7
95.08593	96.3
96.08962	1.9
96.12311	1.5
97.06550	9.3
97.10149	8.8
97.51326	1.4
99.08101	2.8
105.07001	22.0
107.08570	27.7
108.40479	1.6
109.06488	1.6
109.10129	27.4
111.08054	2.4
117.06974	7.7
119.08566	30.2
121.10130	20.7
123.08081	2.4
123.11761	3.6
129.06969	2.7
131.08545	15.8
133.10114	19.7
133.11032	2.4
135.11685	14.5
135.90329	1.5
137.09662	1.9
137.13287	2.7
143.08510	3.3
145.10086	11.9
147.11662	9.8
149.13214	9.4
151.11142	1.8
157.10132	3.2
159.11633	8.2
161.13220	16.5
163.14844	2.3
168.55762	1.5
171.11612	2.6
173.13280	7.6
173.50388	1.6
179.14268	3.8
185.13243	2.0
187.14845	2.7
193.12177	2.0
197.15346	2.2
215.16354	2.0
229.74547	1.7
240.85812	1.5
261.22162	4.8
317.24850	2.3
329.86722	1.7
383.84518	1.7
389.19836	1.8
421.34439	2.4
439.35489	7.7
457.36856	2.5
513.39520	7.3
531.40393	100.0
532.40765	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	532.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07264	0.2
53.35831	0.1
55.05503	0.2
56.05021	0.7
58.06620	0.6
59.07405	0.2
60.08157	6.9
67.05485	0.4
69.07056	0.3
69.89642	1.0
70.06595	0.2
71.07362	2.7
72.08147	0.2
78.60342	0.1
79.05489	0.3
81.07050	0.4
83.08650	0.2
86.09694	31.7
91.05471	0.4
93.07021	0.3
95.04973	0.2
95.08581	0.2
98.98455	3.7
102.74589	0.2
104.10730	3.8
105.07010	0.3
107.04922	0.2
110.07129	0.2
116.99390	0.2
120.71038	0.2
124.47852	0.2
124.99986	21.5
131.08589	0.2
138.92374	0.2
143.01003	0.3
145.10060	0.2
164.03986	0.2
167.62358	0.1
184.07318	100.0
185.07635	0.3
258.10895	0.3
514.29370	0.9
532.30243	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	533.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93213	0.8
53.03925	2.0
54.54679	0.7
55.01850	0.8
55.05493	1.0
56.35476	0.7
65.03922	0.9
67.05485	3.0
68.05006	0.8
69.03415	2.1
69.07047	1.5
70.06554	2.4
71.03809	1.7
79.05491	4.7
80.05003	1.4
81.03397	2.2
81.05777	1.5
81.07027	3.2
82.06564	2.3
83.04981	0.9
85.02888	2.6
91.05447	4.7
93.05766	0.9
93.07027	11.1
94.06547	8.8
95.01312	2.3
95.04941	2.7
95.06773	1.2
95.07334	9.1
95.08581	2.3
96.08113	23.8
97.02860	6.2
97.06500	2.5
103.05403	1.3
105.05769	1.4
105.06994	2.0
107.04899	0.9
107.08572	1.0
107.35909	0.8
108.08096	13.7
109.02870	0.9
109.06450	0.8
109.08878	2.2
109.10114	3.1
110.07150	0.8
110.09661	39.2
116.04953	2.0
118.06529	1.0
119.08548	0.9
119.86314	0.8
120.08080	27.3
121.06446	1.1
121.10147	1.3
122.06004	3.5
123.06776	2.3
123.11700	0.9
124.07572	4.0
127.03835	1.6
127.40709	0.7
131.08496	0.9
131.76028	0.8
132.04456	1.6
136.07545	21.4
137.05940	0.9
137.09579	2.6
138.09116	41.8
139.03879	1.0
143.08560	0.9
144.04416	3.1
146.05977	13.1
148.07533	8.5
149.09630	0.9
152.07045	1.0
154.08582	2.7
160.03906	17.2
162.05457	2.4
163.03911	1.1
165.09085	2.2
166.08607	100.0
172.03899	14.6
173.04655	0.9
174.05475	2.4
178.04955	4.1
184.07716	0.8
186.05382	1.9
188.07050	2.9
190.04945	6.7
201.05409	1.4
202.76654	0.8
204.06532	20.3
212.07027	2.2
214.04994	3.8
216.06567	1.7
224.07103	1.2
230.04388	1.8
240.06534	1.8
242.04628	1.0
244.06047	1.5
251.11740	1.4
268.05994	1.4
270.03970	2.6
279.11209	1.5
281.12723	0.8
285.12323	0.9
288.04892	1.3
297.12149	1.2
307.10434	1.0
312.04904	1.5
325.11746	12.8
330.06027	6.3
335.22122	1.1
336.07043	17.3
339.13278	1.3
343.12659	2.7
348.07126	6.3
353.23218	1.0
357.14325	3.4
362.08536	5.6
368.09708	40.8
455.14337	3.3
465.12808	1.8
483.13742	6.4
501.15070	5.2
515.16327	2.1
533.03937	0.9
533.17310	5.8
533.29559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.80161	0.5
55.01861	3.8
55.05499	2.1
56.78747	0.5
57.03427	7.5
59.04973	0.7
61.02918	10.9
65.38001	0.6
67.05486	2.2
69.03419	30.4
69.07056	10.1
71.01340	0.7
71.04984	4.3
71.70264	0.6
71.70639	0.8
73.02909	5.3
78.17384	0.6
79.05473	3.3
81.03410	13.0
81.07037	4.6
83.01339	1.1
83.04977	0.9
83.08591	1.4
85.02892	100.0
87.04449	4.9
91.03945	4.9
91.05451	3.7
93.07030	3.9
95.04951	8.0
95.08585	4.9
97.02879	34.6
97.06522	5.2
99.04437	6.4
101.02369	0.8
103.03951	1.3
105.07008	4.4
107.08578	5.3
109.02869	11.4
109.06499	3.5
109.10124	2.8
111.04436	0.7
111.08047	1.2
113.05981	1.0
115.03933	1.6
117.06896	0.6
119.08559	4.5
121.06461	3.2
121.10139	3.1
122.07268	4.6
123.04424	1.2
123.08045	19.5
123.11716	1.5
125.06036	0.8
127.03893	28.7
127.07501	0.8
131.08530	2.4
133.10097	5.2
135.08031	26.8
135.11646	3.9
137.09608	2.0
137.13264	0.5
145.04941	42.2
145.10080	1.6
146.05315	0.7
147.11702	2.8
148.08803	0.9
149.06033	0.5
149.09589	1.8
149.13240	1.7
151.07588	0.9
153.05428	0.6
157.10094	1.1
161.09573	0.9
163.03967	1.0
163.05980	5.3
163.14830	1.8
165.09100	0.7
165.12738	22.4
167.06955	0.6
171.06532	2.1
173.13239	1.5
175.14830	5.3
176.11974	3.7
177.05450	0.5
177.12828	0.8
189.07547	3.3
191.14281	87.6
192.14661	1.1
193.15869	11.1
207.13786	4.5
209.15327	15.4
219.10181	0.8
261.08719	0.6
285.12360	0.8
309.17087	0.9
335.18521	0.8
353.19669	2.6
371.20612	11.0
379.44858	0.6
458.89526	0.7
533.25922	25.5
534.26208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
56.05017	0.6
60.07893	0.5
60.08157	6.4
67.05481	1.2
70.70335	0.4
71.07355	3.4
71.48976	0.3
71.69517	0.8
79.05455	0.7
81.03376	0.8
81.07068	0.8
84.52792	0.4
85.02905	0.9
86.09690	32.0
87.88156	0.4
91.05459	0.5
93.07039	0.8
95.08629	0.4
98.98456	1.9
104.10725	4.3
106.94562	0.3
107.04959	0.4
107.08595	0.6
118.29519	0.4
119.08566	0.3
124.99982	22.2
139.03854	0.5
143.00981	0.5
157.85670	0.3
184.07314	100.0
185.07661	0.7
189.51054	0.4
287.05478	1.0
296.34836	0.4
336.76431	0.3
367.98264	0.3
516.30548	1.1
534.32117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.6
57.03425	0.1
58.06615	0.6
59.07376	0.1
60.08154	7.1
61.37537	0.1
67.05475	0.3
67.56595	0.1
70.13555	0.3
70.13963	0.5
71.07359	3.3
71.08617	0.2
71.87205	0.1
74.32125	0.1
78.12520	0.1
79.05474	0.3
81.07026	0.3
82.69954	0.1
86.09690	33.1
87.10045	0.2
91.05448	0.2
93.07031	0.3
98.98447	2.9
104.10725	5.0
105.06993	0.2
109.10168	0.1
124.99980	24.6
143.01041	0.5
166.02599	0.1
184.07310	100.0
185.07675	0.5
195.20865	0.1
202.82683	0.1
258.10971	0.4
351.25369	0.2
357.37921	0.1
429.96512	0.1
516.30841	0.8
525.44934	0.1
534.31842	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	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95747	0.4
55.05487	0.6
56.05015	1.6
56.96546	0.6
58.06596	1.1
60.07850	0.8
60.08154	14.9
61.02899	0.5
67.05479	1.7
69.03439	0.5
69.07070	0.8
70.64727	1.3
71.07362	6.0
71.08606	1.2
79.05482	0.7
81.07042	1.6
85.02902	0.6
86.09692	48.4
91.05497	1.0
93.07030	1.9
95.04952	0.5
95.08599	0.9
98.98448	3.9
104.10726	100.0
105.06998	0.9
105.11044	0.5
107.04922	0.6
107.08562	0.6
109.10137	0.5
119.08590	0.6
121.10148	0.4
124.99984	26.8
133.10126	0.6
139.03885	1.3
151.11153	0.6
163.01576	0.4
179.14301	0.7
184.07315	89.1
185.07674	0.6
258.10962	1.2
262.65198	0.4
266.42828	0.5
277.21515	0.4
287.05511	0.7
351.25287	0.5
483.59006	0.4
516.30713	6.5
534.31842	33.8
535.31915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
58.06334	0.2
58.06604	0.4
59.07372	0.2
60.08156	6.9
67.05482	0.4
70.06583	0.2
70.63874	0.4
71.07362	3.3
73.02861	0.2
79.05486	0.3
81.07061	0.2
86.09692	32.0
87.10030	0.2
91.05469	0.4
91.78574	0.1
93.07033	0.4
95.08560	0.2
98.98455	3.0
101.51709	0.2
104.10723	3.4
105.07010	0.3
117.06944	0.2
124.99984	21.6
143.01027	0.3
146.87013	0.2
184.07315	100.0
185.07703	0.6
258.10852	0.3
272.63974	0.2
287.05469	0.4
424.34836	0.2
498.29489	0.6
516.30823	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	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.6
56.05013	1.4
57.03417	0.9
58.06588	2.1
60.08151	18.6
67.05497	1.9
69.03953	0.6
69.49827	1.8
69.50225	6.8
70.06573	1.5
71.07357	7.1
73.02883	0.9
74.78648	0.9
78.85890	0.9
79.05478	2.3
81.07027	3.1
85.02875	2.0
85.45112	0.7
86.09689	52.3
87.10000	1.3
91.05458	2.1
92.41393	0.7
93.07016	2.7
95.04964	1.2
95.08564	1.4
97.02879	0.9
98.20618	1.5
98.98466	3.6
104.10722	95.7
105.06973	2.0
107.04955	1.4
107.08611	1.1
119.08543	1.8
123.17061	0.7
124.99981	30.7
145.10089	0.9
171.37125	0.8
184.07309	100.0
185.07657	2.4
186.07776	1.9
281.17422	0.9
287.05371	2.4
385.13980	0.8
498.29721	5.3
516.30774	29.6
517.30707	1.2
527.25073	0.8
534.31403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14304	8.9
50.16129	8.3
50.61897	8.8
51.95771	9.8
52.10144	9.2
55.05506	13.3
57.03417	10.8
57.07056	16.2
67.05491	99.7
69.07048	35.2
71.69979	14.1
79.05474	28.5
81.07038	68.4
83.08596	23.2
86.09694	45.8
91.05449	24.6
92.19823	9.3
93.07037	29.7
95.08584	84.2
97.10112	13.5
104.10731	100.0
104.43690	9.8
105.06995	11.5
107.08562	21.2
109.10129	37.3
119.08568	17.1
121.10136	18.8
123.11686	24.7
123.13203	9.1
125.00005	21.3
135.11664	17.5
149.13246	10.9
151.14726	11.1
161.13344	14.0
175.14792	18.6
184.07309	33.5
245.20316	11.3
245.22557	54.4
263.23663	98.7
276.99509	11.7
282.16031	10.3
289.54932	8.6
303.10361	9.1
306.17023	9.9
310.37659	8.4
337.27310	71.9
456.66168	9.1
514.54254	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	534.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
53.06228	0.3
55.05500	5.2
56.04794	0.4
56.05032	4.4
57.07061	3.0
58.06591	0.7
60.04513	3.0
61.48391	0.3
65.03910	0.8
67.04244	0.7
67.05495	12.0
68.05003	1.3
69.07056	7.3
70.06574	1.6
71.08622	1.7
71.43324	0.4
71.43654	0.5
79.05479	9.8
80.05004	3.3
81.05779	1.1
81.07041	10.3
82.06564	6.4
82.07336	0.4
83.08607	4.7
84.08131	0.4
85.10156	0.8
91.05467	8.2
93.07030	9.4
94.06553	16.4
95.04967	2.0
95.06776	0.6
95.07334	7.0
95.08591	8.3
96.08117	4.3
97.06514	0.6
97.10152	2.3
98.06019	0.6
100.07600	0.4
105.07008	5.3
107.07333	0.6
107.08578	5.3
108.08100	3.0
109.10136	4.2
110.09688	0.5
111.11714	0.6
117.06934	0.4
119.08562	5.1
120.08031	0.3
121.08842	0.4
121.10130	6.2
122.09650	1.9
123.11688	1.1
124.11301	0.4
125.27792	0.3
131.08568	0.4
133.10107	3.6
135.10556	0.5
135.11655	3.3
136.11180	0.6
137.13242	0.6
147.11676	1.6
149.13246	1.3
153.23019	0.4
161.13196	1.1
163.14799	0.8
165.16353	0.4
173.88463	0.4
175.14803	0.7
191.17940	0.7
193.19594	0.4
203.17841	0.3
219.20996	0.8
233.22601	4.9
234.22321	0.6
245.20280	0.4
245.22647	4.5
250.25262	9.6
254.24706	0.8
262.25262	100.0
263.25635	1.0
272.25830	5.4
280.26309	11.0
280.50156	0.3
310.27209	0.4
323.65195	0.3
359.03629	0.4
504.47595	2.1
516.47681	7.7
532.70599	0.4
534.41956	0.8
534.48944	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	1.5
56.74352	0.2
57.03427	1.1
59.18121	0.2
61.02903	1.0
62.68035	0.3
68.99776	1.4
69.03417	5.3
70.16823	0.4
70.17249	0.9
71.04971	0.5
73.02906	1.4
81.03408	7.7
85.02892	10.3
86.13050	0.2
87.00331	0.3
87.00821	4.9
91.03937	0.5
93.39380	0.2
97.02883	3.8
98.20797	0.3
99.04442	2.8
105.01865	2.7
105.03391	0.3
107.04945	0.3
109.02862	5.3
111.00785	0.5
117.01830	0.9
121.02845	2.3
124.37002	0.2
127.03899	8.6
129.01814	0.8
133.02805	0.4
137.02299	0.9
145.04927	2.9
145.06184	0.3
147.02855	0.3
147.04381	0.6
153.01791	3.7
157.06485	0.4
159.02866	3.4
165.01801	1.2
183.02893	0.7
207.64368	0.2
213.05466	0.9
226.86559	0.3
231.04895	0.7
231.06763	0.4
241.04991	0.7
258.05154	1.2
287.05453	100.0
288.05759	2.2
329.06223	0.4
351.06302	0.2
476.43781	0.2
484.68753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1074
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03937	1.5
55.01861	1.6
57.03427	1.1
58.96590	0.1
60.22888	0.1
61.02910	0.9
61.11793	0.1
63.73205	0.1
65.73796	0.1
66.18247	0.1
67.11758	0.1
68.99771	1.4
69.03416	6.1
70.23380	0.7
71.01300	0.2
71.04993	0.7
73.02900	1.3
81.03401	7.5
83.01307	0.2
85.02886	10.2
87.00813	5.0
87.04434	0.2
91.03918	0.5
97.02872	3.9
99.04433	2.3
105.01846	2.8
105.03369	0.4
105.49812	0.1
107.04931	0.5
109.02859	6.2
111.00786	0.9
112.74208	0.1
117.01835	0.9
121.02838	2.4
127.03889	8.2
129.01773	0.8
133.02821	0.6
135.04353	0.1
137.02299	0.6
142.06677	0.1
145.03831	0.2
145.04927	2.8
145.06195	0.3
145.06474	0.3
147.02846	0.5
147.04387	0.6
153.01793	4.0
157.06444	0.5
159.02867	4.2
161.05904	0.2
165.01799	1.8
171.04385	0.2
177.03860	0.2
183.02892	0.8
185.05908	0.4
189.05457	0.2
197.05856	0.1
203.07030	0.2
213.03815	0.2
213.05466	1.3
231.04633	0.9
231.06645	0.5
241.04904	1.2
258.05179	1.3
259.05978	0.4
269.04404	0.2
286.04694	0.2
287.05435	100.0
288.05765	2.0
306.59497	0.1
329.06534	0.4
395.07220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1074
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.86151	0.3
53.03922	1.1
55.01849	1.0
55.05478	0.3
57.03407	1.2
59.04987	0.3
61.02896	1.1
65.03907	0.3
67.05479	0.8
68.99777	1.2
69.03049	0.4
69.03416	7.6
69.07050	0.4
70.06567	0.5
71.04960	1.1
71.69145	0.3
71.69587	0.4
73.02885	1.0
79.05452	0.6
81.03395	6.0
81.07025	1.2
83.01310	0.4
83.04948	0.3
84.08135	0.3
85.02891	7.9
86.09689	0.4
87.00808	3.4
87.04420	0.4
91.03903	0.3
91.05479	0.6
93.07010	0.8
95.04938	0.7
95.08582	0.5
97.02876	11.9
99.04444	2.8
101.69382	0.2
105.01849	1.8
105.03348	0.4
105.06979	0.7
107.04945	0.7
107.08580	0.6
109.02860	3.4
109.10126	0.6
111.00764	0.6
115.03962	0.4
117.01849	0.3
117.06969	0.3
119.08541	0.3
121.02842	3.2
121.10110	0.8
123.08039	0.3
127.03898	6.3
129.01855	0.3
131.08534	0.3
132.95078	0.3
133.02829	0.3
135.04457	0.3
135.08031	0.3
135.11687	0.3
137.02315	1.3
137.05916	0.8
139.03816	0.5
144.41537	0.3
145.04927	4.0
145.10045	0.3
147.04343	1.0
153.01797	5.4
157.06436	0.5
159.02840	1.5
161.05872	0.5
165.01802	1.8
166.08609	0.3
167.06990	0.5
171.02867	0.3
171.04321	0.4
183.02901	1.1
185.05980	0.5
198.12776	0.4
213.05566	1.4
226.12386	0.3
231.04723	0.5
231.06689	0.6
241.04871	0.7
258.05151	1.0
259.06094	0.5
269.04315	0.5
269.12772	1.5
271.10815	0.3
287.05444	100.0
287.13773	2.4
288.05801	3.3
299.05527	0.4
366.16107	0.3
373.13623	0.9
513.94458	0.3
535.43622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.01866	9.8
55.05497	12.0
57.03418	5.8
57.07071	4.9
57.34618	4.8
61.02904	6.1
67.05498	24.5
69.03416	35.0
69.07047	16.3
70.06578	11.7
71.04977	25.9
71.69122	7.6
71.69471	5.5
72.08138	4.9
73.33614	4.3
79.05473	16.9
80.04980	8.7
81.03409	43.6
81.07037	46.7
83.04967	5.4
83.08582	5.0
84.08120	4.7
85.02888	65.8
87.00801	15.3
91.05470	17.7
93.07039	40.1
95.04938	18.7
95.08571	42.4
97.02863	16.6
97.06535	5.8
99.04436	10.6
99.08096	6.7
105.01809	7.2
105.07019	21.4
107.04883	8.4
107.08554	33.9
108.04411	7.3
109.02847	25.8
109.06499	9.3
109.10143	36.8
111.04383	5.1
113.09617	5.3
119.04906	7.2
119.08504	24.7
121.02785	5.0
121.06458	6.5
121.10094	26.8
121.42909	4.1
123.04404	7.9
123.08031	6.4
123.11684	44.6
125.09622	8.3
127.03902	30.3
127.11185	5.1
131.08527	11.3
133.10107	26.0
135.08005	6.7
135.11673	11.4
137.05963	14.9
137.09610	18.7
139.03862	15.1
139.11195	5.5
143.08574	7.9
145.04909	10.6
145.10089	16.0
147.04393	7.2
147.11635	13.3
149.09561	8.1
149.13251	5.4
151.03911	5.3
151.11151	6.1
153.01837	5.5
157.10097	9.5
159.02831	16.7
159.08063	6.9
159.11693	11.6
161.09581	10.3
165.09070	7.4
167.10637	5.6
169.12221	5.3
171.11661	8.5
173.13191	7.9
175.11131	11.7
175.14746	7.6
177.05400	7.1
177.09091	8.7
187.14803	9.0
188.07068	4.8
197.13284	7.5
199.14757	6.1
213.16156	6.6
215.14230	10.9
241.09604	4.9
243.14873	8.9
251.20155	6.2
255.68112	4.8
269.04855	5.8
269.12799	22.1
273.22107	14.2
287.05444	100.0
287.13882	73.3
288.05707	8.4
299.06226	11.0
301.21533	35.5
319.22641	32.4
325.26443	4.9
337.23642	49.3
470.20529	5.3
535.19348	6.2
536.20337	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	536.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39742	0.1
56.05020	0.7
57.03426	0.2
58.06358	0.2
58.06620	0.4
60.08153	5.9
67.05496	0.6
70.06559	0.2
71.07366	3.0
79.05480	0.3
81.07045	0.4
86.09691	32.3
87.10033	0.2
91.05812	0.2
93.07034	0.3
95.08581	0.3
98.98447	2.9
104.10723	3.3
107.08514	0.3
119.08555	0.1
124.99981	21.3
143.01010	0.3
148.58214	0.2
161.25443	0.2
167.05513	0.4
184.07310	100.0
185.07570	0.2
205.98834	0.2
258.11047	0.2
293.98477	0.2
299.06131	0.3
371.52722	0.2
473.72620	0.1
500.31601	0.9
518.32312	4.7
536.70905	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	536.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30854	0.4
56.05023	0.6
60.07895	0.5
60.08158	6.6
66.56084	0.4
67.05483	1.4
68.82424	0.5
71.07359	2.4
79.05464	1.0
81.07033	0.6
85.47759	0.4
86.09693	31.5
91.05787	0.9
93.07023	0.5
98.21060	2.2
98.98458	3.0
104.10711	3.7
107.04918	0.9
124.99986	20.3
143.01083	0.6
167.05531	1.2
167.44675	0.4
184.07317	100.0
185.07654	0.4
229.85049	0.5
299.06070	2.0
321.67947	0.4
344.97647	0.4
500.30875	0.7
518.32190	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	536.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05016	0.3
60.08155	5.8
67.05482	0.9
70.06561	0.5
70.58423	0.7
70.58814	0.6
71.07355	2.5
79.05464	0.4
81.03378	0.4
81.07065	0.7
83.08571	0.3
86.09692	27.3
91.05814	0.9
93.07018	0.7
95.08564	0.4
98.98448	2.6
104.10715	4.2
105.40571	0.3
109.10120	0.4
116.11255	0.3
121.75051	0.3
124.99984	18.7
143.00966	0.6
167.05539	1.1
184.07315	100.0
185.07658	1.0
189.48427	0.3
196.68608	0.4
299.06137	1.5
381.54828	0.4
518.32373	1.3
536.33398	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	537.1226
Annotation	Haploside A
Peak:m/z	Relative Intensity
51.13115	0.5
53.03930	1.1
55.01851	1.0
56.48243	0.5
57.03408	0.7
58.95689	0.5
60.10124	0.5
61.02893	0.9
61.31912	0.5
67.01859	4.8
67.05479	1.4
68.99767	2.3
69.03419	4.0
69.07043	0.8
69.96329	3.3
70.06565	2.0
71.04974	1.0
73.02890	0.7
79.05455	0.7
81.03384	3.3
81.07044	2.8
83.04936	0.8
84.08101	0.7
85.02879	5.9
86.09691	0.6
87.00797	2.1
89.03886	1.6
91.05444	0.8
91.28835	0.6
93.07014	2.0
95.01314	0.5
95.04936	0.7
95.08575	1.7
96.08109	1.1
97.02877	3.9
99.04408	1.3
99.88038	0.5
105.01836	1.4
105.07000	1.3
107.04923	1.3
107.08575	1.1
108.08054	0.7
109.02837	2.7
109.10102	1.2
110.09641	2.4
111.00765	1.8
111.04386	1.4
117.03359	2.1
119.04907	0.8
119.08511	0.7
120.08057	1.8
121.10133	1.1
123.04410	3.0
123.11602	0.7
127.03881	5.2
129.01793	1.6
135.04370	4.8
136.07533	1.2
137.05940	2.9
137.09540	0.7
138.09076	2.9
138.38962	0.6
139.03831	1.0
145.02841	3.3
145.04947	1.7
145.10086	0.8
146.05960	1.5
147.04370	0.6
147.11635	0.7
148.03918	0.6
148.07527	0.8
151.03888	1.4
153.01794	72.7
154.02116	0.8
159.02861	1.8
159.04399	0.5
163.03870	27.7
164.07027	0.6
166.08611	7.7
167.10611	0.5
171.02853	43.9
177.01709	0.7
179.03371	5.3
187.03917	1.1
187.18091	0.5
190.04976	0.6
195.02829	2.1
205.04927	0.7
220.39243	0.5
243.82689	0.5
247.05960	1.2
261.04074	0.7
271.05945	1.3
287.05377	1.3
288.05719	0.8
289.07004	100.0
290.07309	1.1
299.13870	2.2
317.06482	0.9
358.09329	0.7
365.04974	0.7
375.15390	2.0
397.09259	0.6
409.03064	0.6
537.26379	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	2.4
58.86375	2.0
64.98689	1.7
65.03921	8.0
67.05478	2.7
69.03400	5.0
69.07047	2.9
70.06577	8.6
71.63507	1.8
76.02200	5.8
79.05461	3.1
81.03399	7.2
81.07046	3.6
85.02891	8.6
85.07620	3.4
91.05461	2.2
92.04990	3.0
93.07025	4.9
93.61500	2.2
94.06530	3.1
95.04952	2.3
95.07310	2.1
95.08588	2.3
96.08106	3.5
97.02882	4.1
105.07057	3.7
108.08092	7.2
109.10139	2.9
110.09674	6.5
116.01679	3.5
116.04965	4.7
119.08503	3.3
120.04433	6.5
120.08060	5.5
121.95113	2.5
122.05988	5.5
124.07601	2.6
127.03886	2.3
136.07550	7.7
137.05911	4.4
137.09598	2.8
138.09131	8.0
144.04411	8.2
148.03906	100.0
151.52249	2.0
154.08517	2.0
162.02167	3.3
162.05473	6.4
163.78139	2.3
166.04964	36.1
166.08624	20.0
172.03903	45.6
179.04796	5.5
184.09637	2.0
190.04991	9.0
204.04601	4.8
204.06526	93.7
212.13625	2.0
227.11742	2.9
255.11209	17.3
273.12296	15.0
273.94144	2.4
283.10727	16.7
301.11780	79.1
302.68344	2.1
308.09140	4.5
309.09274	4.0
319.12891	4.8
321.24051	2.8
339.13397	2.5
343.12790	56.5
357.14267	15.5
369.47278	2.1
375.14993	4.2
413.11224	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44398	0.3
53.03925	0.8
55.01862	0.6
67.05470	0.8
69.03425	1.0
70.26472	0.6
70.26872	1.1
71.04984	0.4
75.39008	0.3
78.99413	0.4
79.05471	1.3
80.04993	0.6
81.03385	1.7
81.07063	0.8
82.96255	0.4
83.08598	0.5
85.02888	3.1
85.19424	0.4
85.19954	0.3
87.00792	1.1
91.05459	3.4
92.06231	0.6
92.37914	0.4
93.07018	0.9
94.06539	1.4
95.08580	0.6
96.08102	1.0
97.02862	1.7
99.04419	0.7
104.04964	0.7
105.01851	0.5
106.06506	2.3
109.02875	1.3
109.06509	0.6
118.06530	3.4
119.07280	0.9
120.08085	13.7
122.09637	0.6
124.07573	8.6
126.09135	0.9
127.03886	1.4
132.08070	0.5
134.05989	6.6
135.06792	0.7
136.07550	3.9
138.05441	1.2
138.09096	0.5
138.39401	0.4
145.04935	1.1
146.05917	2.6
147.06789	3.2
148.07547	12.7
150.09125	0.6
151.07530	0.4
152.07051	1.3
159.02873	0.7
162.09070	1.0
164.07042	65.3
165.07672	0.6
166.08592	2.0
174.12662	0.4
186.60634	0.4
198.12733	0.4
200.10716	0.4
213.03885	0.6
214.10887	0.7
215.15363	1.7
216.10155	1.7
219.47408	0.4
226.12250	0.8
228.10220	0.5
229.13304	1.2
232.09673	0.6
243.14897	6.2
245.16434	3.7
253.13268	1.0
254.11743	1.5
271.14380	19.3
273.12283	1.4
289.15424	100.0
290.15808	1.5
331.16446	0.7
375.10733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96326	2.4
53.03929	10.4
55.05502	23.5
57.03418	14.3
57.07065	43.4
62.68775	2.9
65.03943	4.7
67.05498	57.6
69.07063	17.1
69.48840	18.9
69.49266	7.9
71.04969	4.0
71.08622	30.8
79.05484	72.0
81.03406	6.7
81.06602	4.4
81.07047	54.1
83.04983	13.6
83.08607	13.1
85.10174	16.4
91.05463	57.6
93.07033	66.1
95.04941	19.0
95.08589	43.1
97.06524	4.9
97.10152	8.9
98.21206	10.5
103.82434	2.3
105.04507	3.0
105.07007	44.1
107.04930	8.9
107.08571	11.7
109.06489	4.3
109.10152	12.3
117.07006	7.1
119.08556	18.9
121.10135	3.6
123.08052	5.1
123.11710	5.0
128.06209	4.3
129.06989	17.8
133.10112	10.2
138.19281	2.4
143.08519	7.9
145.10115	9.8
147.07982	3.5
147.11681	37.3
153.20885	2.4
161.09593	3.3
161.13258	14.8
171.11684	32.2
186.49339	2.8
189.12694	15.5
192.35486	2.8
207.13805	28.2
225.14824	3.9
239.23749	4.0
257.47836	3.0
281.17426	63.8
313.27316	72.5
519.40381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
55.05495	18.9
57.03423	16.5
57.07064	50.4
67.05497	54.8
69.07060	19.3
70.01082	22.7
71.08630	31.5
79.05487	71.0
81.03413	7.3
81.07039	62.6
83.04972	12.5
83.08600	14.9
85.10158	17.7
91.05452	50.2
93.07021	54.4
95.04934	16.8
95.08592	45.9
97.10137	9.2
105.07018	43.5
107.04981	5.9
107.08569	13.3
109.10148	13.3
111.72786	5.7
117.07001	6.1
119.08553	23.6
129.07018	10.1
131.08562	6.0
133.10077	10.9
143.08551	8.6
145.10136	8.5
147.11658	32.7
161.09528	6.1
161.13271	8.4
170.58115	4.8
171.11708	27.0
189.12712	11.8
207.13777	32.5
259.23712	4.4
281.17374	67.3
281.20190	6.4
294.91693	4.6
304.13135	4.4
313.27316	55.1
443.11935	4.6
519.40546	100.0
520.40802	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	539.1696
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
52.84902	1.4
55.05505	1.8
56.56142	1.2
64.69376	1.4
67.05487	5.3
69.07055	2.5
69.91260	2.9
69.91662	8.5
79.05474	3.7
81.07035	4.5
89.74103	1.3
91.05458	5.5
93.07040	2.5
95.05005	2.9
95.08597	4.2
98.21377	2.1
104.10714	2.5
105.07024	3.7
107.04935	15.0
107.08596	2.0
109.10154	2.1
115.05437	5.8
117.07007	2.0
119.08582	2.1
121.06534	2.8
128.06209	4.0
129.07030	2.4
131.08560	2.0
133.06512	3.3
133.10060	2.2
141.06961	29.0
143.04898	4.5
145.06471	3.0
145.10159	2.4
147.07985	1.7
152.06226	1.8
157.10106	1.8
158.07333	1.9
159.11644	1.4
165.06966	2.1
167.08560	1.4
168.05699	3.7
169.06470	24.9
171.04379	2.3
173.05904	1.7
174.06807	2.2
181.06494	3.6
182.07309	3.5
183.08119	2.7
184.07338	3.1
185.05954	3.7
186.06743	7.2
187.03941	1.6
187.07506	1.8
189.09145	2.8
195.08069	6.3
196.05241	3.6
196.08878	2.7
197.05965	12.1
199.03952	5.1
201.05646	1.6
201.09045	21.1
210.03168	6.6
210.06717	16.7
211.07579	5.4
212.08302	3.5
213.05428	1.8
213.09117	5.9
216.04140	1.7
217.04852	1.5
217.08513	2.0
223.03868	1.9
223.07544	1.7
224.04684	4.8
224.08374	2.1
225.05499	15.0
225.09012	19.1
226.06013	2.0
226.09937	1.8
227.03400	2.1
227.07048	2.2
231.06544	8.8
237.05515	2.6
239.07074	5.4
240.04085	2.2
240.07716	1.9
241.04997	1.5
241.08490	7.7
242.05817	1.7
242.80690	1.8
243.06506	68.9
253.04929	30.9
254.09482	5.5
255.10149	22.9
256.10898	14.6
257.11929	2.3
259.06091	2.5
261.03934	3.0
265.08670	2.4
268.03479	9.3
270.05225	16.9
271.06100	2.7
279.10239	3.1
281.11685	6.8
283.05994	14.2
285.07553	64.7
313.21588	3.6
319.11075	1.8
331.11472	2.0
346.10080	2.8
347.10626	4.4
348.11353	2.1
349.12543	1.7
358.09964	4.2
359.10745	3.5
361.08411	2.3
361.12427	3.1
374.09314	4.9
375.09991	9.0
376.10831	5.1
386.09348	3.7
387.10202	4.1
388.10931	3.6
389.11871	3.8
390.12704	3.0
391.13596	2.3
392.10373	4.5
393.11331	5.3
400.11197	4.3
401.11584	3.9
402.08405	3.7
402.13083	2.2
403.09253	8.2
404.09949	7.2
405.11508	3.7
407.12961	2.4
415.09607	3.5
417.11148	5.1
418.12027	10.7
419.12854	5.8
420.09418	3.0
421.10492	4.3
422.11450	4.7
429.11600	2.7
430.07901	2.3
431.09167	6.0
432.09833	5.5
433.10413	5.2
433.15121	3.4
435.12329	5.7
436.13025	4.9
437.13666	2.5
445.10660	3.6
446.11487	13.4
447.12225	13.4
447.28940	2.4
448.13318	4.2
449.09415	2.1
450.10880	3.4
457.10938	2.2
460.13315	3.8
461.14441	7.6
463.11069	8.2
464.12064	9.0
465.13541	11.8
465.29868	7.8
473.10300	2.3
474.10953	4.8
475.11612	7.6
476.12909	2.6
477.13376	2.1
478.13925	5.9
479.15042	14.1
480.15765	16.1
481.12646	11.9
483.31155	2.0
488.12585	3.5
489.13190	18.9
490.14017	5.7
491.11267	6.8
492.12100	5.9
493.12738	6.9
493.17551	3.8
494.17340	9.8
495.17935	4.7
496.14929	2.0
497.15985	5.6
503.15131	4.1
506.13547	18.7
507.14294	37.2
508.15164	37.3
511.17300	9.6
521.15973	28.7
522.16632	2.6
524.14740	16.4
539.16980	100.0
539.33435	13.3
540.17377	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	539.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01861	8.3
55.05506	19.4
57.03427	8.0
57.07059	9.0
61.02917	6.2
65.03931	4.4
67.05492	51.6
69.03417	48.2
69.07051	36.4
70.06574	18.6
71.04978	16.9
71.08610	3.5
71.70441	5.3
73.02904	3.1
74.06077	2.7
75.23125	2.3
79.05478	26.0
79.23763	2.1
81.03401	33.5
81.07043	100.0
83.04969	10.6
83.08603	16.6
84.04505	2.7
84.08139	12.4
85.02894	55.8
85.06529	13.2
87.00819	21.6
91.05460	21.1
93.07029	45.1
94.06592	4.8
95.04946	15.9
95.07338	3.9
95.08591	95.6
95.09206	5.4
96.08109	5.6
97.02874	32.8
97.06532	12.2
97.10141	8.9
99.04439	17.1
99.08089	6.8
101.02343	2.8
105.01840	12.9
105.07018	25.5
107.04948	9.2
107.08574	47.0
108.08105	4.5
109.02849	18.8
109.06502	10.2
109.10141	62.4
110.09678	10.5
111.04435	6.6
111.08057	10.6
111.11696	7.5
115.03905	5.3
117.07019	6.7
119.04968	2.5
119.08551	24.1
120.04469	3.3
120.08100	6.6
121.06508	8.1
121.10120	31.2
122.27735	2.4
123.04417	7.1
123.08059	9.2
123.11685	34.6
124.07628	3.1
125.02305	2.6
125.05968	2.8
125.09606	4.5
127.03891	33.0
127.11179	7.4
129.01797	4.4
129.10207	3.3
131.08539	11.6
132.27686	2.6
133.06441	2.7
133.10103	12.8
135.08070	11.4
135.11690	26.0
136.07547	4.3
136.81000	2.7
137.06003	4.6
137.09616	6.1
137.13194	18.4
138.05479	4.2
138.09096	13.1
139.09459	5.8
139.11168	5.7
142.07755	3.1
143.08592	6.0
145.04977	10.2
145.10095	14.4
146.05983	3.2
147.08009	5.8
147.11665	16.3
149.09653	5.9
149.13242	20.8
151.03877	11.0
151.07549	3.3
151.11224	2.7
151.14789	6.2
153.12784	5.1
155.08531	3.3
157.10127	6.1
159.02882	7.5
159.08008	2.9
159.11702	13.1
161.09601	5.6
161.13225	9.4
163.07579	2.6
163.14810	11.1
165.09151	6.1
166.08615	24.2
167.08963	14.6
167.14153	2.7
171.11690	5.8
172.03943	8.8
173.04187	6.2
173.09521	3.7
173.13275	6.6
175.07466	3.8
175.14850	6.5
177.16357	5.8
179.06996	5.0
183.11646	4.6
185.15486	3.9
187.14789	6.6
189.03833	2.7
189.09151	3.3
190.05031	4.6
191.18004	4.3
195.11740	3.2
199.11263	2.8
199.14864	2.8
201.03923	8.4
201.12845	3.2
203.16153	2.5
203.17839	4.8
207.09991	2.4
213.03912	8.8
215.05458	2.6
215.17906	3.7
217.19615	2.9
225.07402	4.2
231.04939	11.2
231.13754	2.5
231.17250	3.2
237.10132	4.5
238.10655	5.5
249.06149	3.7
251.19943	13.0
253.15662	2.8
253.19531	4.0
255.23349	4.2
257.11676	6.4
265.09610	4.4
266.10101	5.2
267.11096	3.2
273.18393	4.2
273.25806	4.2
278.06384	2.9
280.11725	3.5
287.23880	3.1
289.25336	3.7
291.19540	5.2
291.26733	13.2
293.09027	4.1
294.09659	5.1
301.25272	4.2
307.26184	2.6
312.10709	3.4
319.26300	3.1
323.25623	3.0
326.12143	4.5
336.17117	3.0
342.11606	5.5
354.11563	8.0
375.29147	2.7
381.27921	5.2
399.28946	12.3
417.30325	4.6
435.30798	2.7
466.18805	3.7
479.19916	3.9
483.45447	2.6
485.28442	3.3
489.18274	6.5
503.29868	3.9
507.19403	15.5
508.20847	3.4
521.30591	5.2
539.20801	4.0
539.31653	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	539.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01861	8.3
55.05506	19.4
57.03427	8.0
57.07059	9.0
61.02917	6.2
65.03931	4.4
67.05492	51.6
69.03417	48.2
69.07051	36.4
70.06574	18.6
71.04978	16.9
71.08610	3.5
71.70441	5.3
73.02904	3.1
74.06077	2.7
75.23125	2.3
79.05478	26.0
79.23763	2.1
81.03401	33.5
81.07043	100.0
83.04969	10.6
83.08603	16.6
84.04505	2.7
84.08139	12.4
85.02894	55.8
85.06529	13.2
87.00819	21.6
91.05460	21.1
93.07029	45.1
94.06592	4.8
95.04946	15.9
95.07338	3.9
95.08591	95.6
95.09206	5.4
96.08109	5.6
97.02874	32.8
97.06532	12.2
97.10141	8.9
99.04439	17.1
99.08089	6.8
101.02343	2.8
105.01840	12.9
105.07018	25.5
107.04948	9.2
107.08574	47.0
108.08105	4.5
109.02849	18.8
109.06502	10.2
109.10141	62.4
110.09678	10.5
111.04435	6.6
111.08057	10.6
111.11696	7.5
115.03905	5.3
117.07019	6.7
119.04968	2.5
119.08551	24.1
120.04469	3.3
120.08100	6.6
121.06508	8.1
121.10120	31.2
122.27735	2.4
123.04417	7.1
123.08059	9.2
123.11685	34.6
124.07628	3.1
125.02305	2.6
125.05968	2.8
125.09606	4.5
127.03891	33.0
127.11179	7.4
129.01797	4.4
129.10207	3.3
131.08539	11.6
132.27686	2.6
133.06441	2.7
133.10103	12.8
135.08070	11.4
135.11690	26.0
136.07547	4.3
136.81000	2.7
137.06003	4.6
137.09616	6.1
137.13194	18.4
138.05479	4.2
138.09096	13.1
139.09459	5.8
139.11168	5.7
142.07755	3.1
143.08592	6.0
145.04977	10.2
145.10095	14.4
146.05983	3.2
147.08009	5.8
147.11665	16.3
149.09653	5.9
149.13242	20.8
151.03877	11.0
151.07549	3.3
151.11224	2.7
151.14789	6.2
153.12784	5.1
155.08531	3.3
157.10127	6.1
159.02882	7.5
159.08008	2.9
159.11702	13.1
161.09601	5.6
161.13225	9.4
163.07579	2.6
163.14810	11.1
165.09151	6.1
166.08615	24.2
167.08963	14.6
167.14153	2.7
171.11690	5.8
172.03943	8.8
173.04187	6.2
173.09521	3.7
173.13275	6.6
175.07466	3.8
175.14850	6.5
177.16357	5.8
179.06996	5.0
183.11646	4.6
185.15486	3.9
187.14789	6.6
189.03833	2.7
189.09151	3.3
190.05031	4.6
191.18004	4.3
195.11740	3.2
199.11263	2.8
199.14864	2.8
201.03923	8.4
201.12845	3.2
203.16153	2.5
203.17839	4.8
207.09991	2.4
213.03912	8.8
215.05458	2.6
215.17906	3.7
217.19615	2.9
225.07402	4.2
231.04939	11.2
231.13754	2.5
231.17250	3.2
237.10132	4.5
238.10655	5.5
249.06149	3.7
251.19943	13.0
253.15662	2.8
253.19531	4.0
255.23349	4.2
257.11676	6.4
265.09610	4.4
266.10101	5.2
267.11096	3.2
273.18393	4.2
273.25806	4.2
278.06384	2.9
280.11725	3.5
287.23880	3.1
289.25336	3.7
291.19540	5.2
291.26733	13.2
293.09027	4.1
294.09659	5.1
301.25272	4.2
307.26184	2.6
312.10709	3.4
319.26300	3.1
323.25623	3.0
326.12143	4.5
336.17117	3.0
342.11606	5.5
354.11563	8.0
375.29147	2.7
381.27921	5.2
399.28946	12.3
417.30325	4.6
435.30798	2.7
466.18805	3.7
479.19916	3.9
483.45447	2.6
485.28442	3.3
489.18274	6.5
503.29868	3.9
507.19403	15.5
508.20847	3.4
521.30591	5.2
539.20801	4.0
539.31653	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	540.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98249	1.0
53.03931	7.6
55.01861	8.9
57.03445	6.1
61.02928	6.6
62.11182	1.1
68.99782	4.3
69.03421	42.2
69.07053	2.9
70.12552	6.8
71.04986	5.6
73.02910	7.3
74.02586	1.0
75.90958	1.3
77.26881	1.0
78.70259	1.1
79.05457	2.4
81.03407	33.8
81.07024	1.7
82.28579	1.0
85.02895	87.7
87.00817	27.7
87.04468	1.7
88.47209	1.0
91.03936	2.5
91.05453	9.3
93.07030	2.1
94.04816	1.1
95.04936	1.9
97.02885	23.9
99.04447	13.4
103.03952	3.0
103.05455	2.0
105.01855	22.8
105.07018	14.2
107.04932	6.2
107.09796	1.1
109.02868	35.1
109.06520	1.7
109.10201	1.5
111.04423	4.4
117.01843	3.7
119.04934	7.6
121.06496	5.5
127.03902	69.8
129.01822	7.7
131.04872	1.5
133.06474	25.0
135.04410	1.6
135.08061	3.5
137.05978	9.1
139.07491	2.0
145.04933	28.3
145.06186	1.3
147.02832	3.5
149.05957	4.3
151.07536	3.2
157.06430	2.0
159.02875	18.7
163.07504	1.2
165.07004	2.4
177.03966	2.8
179.08473	1.3
181.06500	1.9
183.07947	1.2
189.03922	2.4
195.08093	1.3
197.09602	3.4
210.06720	2.7
211.07556	1.8
213.03952	4.1
225.09074	5.2
226.09856	2.3
227.07042	1.3
231.04959	17.5
242.09370	5.8
257.11691	100.0
258.12149	3.2
267.10175	1.4
269.11630	5.3
281.11667	9.3
293.11707	2.0
299.12756	11.4
323.12814	4.0
327.13452	2.7
339.13519	2.8
347.12784	2.1
365.13889	6.4
367.12778	1.7
438.26364	1.3
469.15118	2.7
505.17130	2.8
508.21002	10.5
540.23102	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	540.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01868	16.4
56.60348	1.6
57.03439	9.2
61.02908	5.2
68.99774	5.8
69.03419	36.7
69.23519	1.6
70.06573	3.5
70.24056	3.8
70.24458	6.6
71.04980	7.6
73.02893	11.0
76.76787	1.8
79.05486	3.0
81.03407	40.1
83.01322	1.6
84.08121	3.0
84.17226	1.5
85.02893	100.0
85.06542	2.3
87.00813	37.7
91.03936	1.8
91.05458	8.7
93.07027	8.2
95.04946	3.8
97.02882	34.3
99.04430	16.3
103.05457	6.0
105.01857	24.9
105.07005	2.3
107.04928	22.1
107.08479	2.0
108.04456	3.3
109.02864	37.4
109.10174	2.7
117.01833	6.0
117.06996	9.0
121.06483	68.6
123.04447	5.2
127.03894	67.4
129.01842	5.5
131.04906	8.1
133.06396	1.9
135.08020	2.0
137.05937	3.7
139.07513	2.8
145.04941	29.6
145.06468	25.3
147.02892	4.6
149.05965	7.8
153.09100	2.4
159.02870	22.3
159.08041	2.7
163.07529	6.9
165.06972	4.7
166.06221	10.8
167.07025	12.4
173.05966	4.3
173.13176	2.4
181.08586	28.6
182.07285	2.2
183.08044	5.9
187.07513	10.5
195.08128	1.9
197.05998	2.6
197.09575	3.5
199.07571	2.5
210.06647	2.9
211.07547	12.5
212.08305	6.0
215.07054	2.2
215.10674	3.6
225.09068	5.0
228.07832	6.4
229.08597	4.3
231.05023	10.3
236.08148	2.1
243.10117	27.9
267.10184	7.9
275.12729	64.1
276.13071	2.6
283.09479	3.4
285.11203	6.6
299.09579	3.2
299.12741	43.3
300.13181	2.2
317.13824	21.2
328.52563	1.9
333.11255	3.7
341.13828	22.4
365.13779	18.7
383.14771	14.8
543.48010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82918	2.5
53.03934	2.4
55.01853	7.8
55.05507	3.5
57.03419	4.2
67.05245	1.9
67.05497	20.3
68.99757	2.9
69.03416	15.1
69.07049	5.4
69.54501	16.0
69.54919	6.5
70.06574	8.6
79.05470	6.2
81.03407	29.2
81.07048	12.4
84.08115	6.7
85.02895	26.0
86.09706	2.7
91.05446	13.9
93.03356	2.3
93.07017	9.6
95.01340	4.1
95.04954	63.7
95.08586	5.5
97.02878	29.3
97.06516	3.8
99.04427	3.9
105.07015	17.5
106.07333	2.6
107.04908	6.9
107.08552	7.7
109.02876	6.8
109.06478	2.4
109.10109	5.6
110.06036	2.8
111.04391	4.3
117.06984	5.1
119.04960	2.8
119.08562	7.7
121.02853	4.0
121.06480	9.2
121.10151	6.4
123.04395	9.9
123.11681	2.7
125.05908	2.6
127.03888	11.6
128.06192	4.4
129.06978	12.5
131.04929	5.7
131.08549	17.2
133.06480	10.1
133.10085	8.4
136.07503	4.1
137.05928	9.8
139.03841	4.4
141.06964	7.9
143.08551	11.8
145.04898	4.0
145.06450	8.9
147.04372	3.8
147.08044	7.1
149.02269	3.4
149.05917	4.9
149.09624	4.3
149.13203	3.2
152.07072	4.8
155.08568	18.8
157.06435	7.3
157.10040	4.2
159.08020	28.8
161.06052	4.6
165.07001	7.4
166.07739	6.9
167.07219	2.9
167.08563	9.7
169.06412	3.7
169.10040	4.5
171.07980	13.5
171.11702	5.5
173.09500	2.9
175.07532	12.8
179.08495	5.7
181.10081	20.9
183.07976	12.8
183.11664	5.9
185.05939	2.7
185.09538	5.8
187.07436	2.9
190.07742	2.4
191.08467	2.6
192.09261	3.0
193.08546	4.9
193.10117	6.3
194.07277	4.7
195.07971	2.8
195.10120	5.7
195.11732	4.8
196.08720	2.6
197.09496	5.9
198.52222	2.5
199.11151	17.5
201.08983	6.8
201.12875	2.5
202.07796	3.7
203.06979	14.9
205.06549	3.0
205.10056	8.2
207.11578	3.0
209.09543	31.9
211.07509	4.8
211.11119	11.7
216.17987	3.0
217.10158	5.5
218.07256	7.1
219.08002	5.8
223.11082	8.9
225.12550	3.0
227.10587	33.6
229.08513	2.9
233.09575	15.9
235.07588	2.5
235.11081	13.0
237.09987	4.2
241.12361	3.4
251.10532	24.0
253.09659	2.8
253.12242	9.0
255.10120	43.1
257.08084	3.6
261.09143	5.4
265.09662	6.6
269.11633	13.4
277.09741	3.0
279.10110	24.3
281.11792	5.6
287.12833	4.1
293.09616	4.6
295.10321	2.8
297.11154	42.1
299.12674	4.5
307.09875	8.9
309.12186	3.8
312.11066	4.5
315.08725	5.0
315.12219	69.1
325.10690	47.3
327.13339	11.4
335.10324	3.3
337.11746	3.3
339.13327	26.9
343.11700	100.0
344.11819	3.5
353.11349	6.3
361.12787	79.8
367.12738	26.1
369.11069	2.7
385.13257	8.0
386.55676	2.4
399.15042	5.2
409.12747	5.8
427.13916	14.5
439.13995	19.9
451.13446	5.0
459.16370	8.6
469.15137	8.2
476.18073	2.8
487.16049	7.6
505.16870	4.1
508.20813	40.6
540.23279	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	540.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01867	12.3
55.05499	2.6
57.03426	7.3
59.39990	1.5
61.02905	9.1
67.05496	4.0
68.99777	6.7
69.03419	38.0
69.07047	3.4
69.91582	1.5
70.06580	9.4
71.04981	6.2
71.68266	2.2
73.02905	7.9
79.05484	6.0
79.84325	1.5
81.03407	35.7
81.07038	8.6
83.04967	1.8
84.04498	1.5
84.08138	4.6
85.02891	100.0
85.06516	2.0
86.87336	1.4
87.00813	38.1
91.03962	3.3
91.05467	7.5
93.07038	8.9
95.04957	4.0
95.08590	6.5
97.02882	31.4
99.04436	13.7
103.03911	3.0
103.05459	4.3
105.01850	26.2
105.07047	2.5
107.04939	34.0
107.08611	4.7
108.04472	3.3
108.08083	1.5
109.02862	34.1
109.10129	4.8
111.04444	3.3
115.05451	2.9
117.01839	4.8
117.07000	8.2
119.04890	1.5
119.08599	3.1
121.06487	51.7
121.10188	2.1
123.04411	4.8
127.03899	56.7
129.01807	5.3
129.10170	2.4
131.04898	9.1
131.08554	2.1
133.06454	4.1
135.08047	4.4
136.07555	2.2
137.05927	13.2
137.09616	1.8
139.07524	4.0
143.08487	2.4
145.04953	20.2
145.06474	25.6
145.10146	2.2
147.02882	3.7
147.07964	2.5
147.11720	1.4
149.05988	6.8
151.07578	2.6
153.05511	1.5
153.09058	1.9
157.10069	1.8
159.02888	21.6
159.07985	1.8
159.11649	2.0
163.03798	1.6
163.07544	7.0
165.07019	3.8
165.09119	1.9
166.06230	11.0
167.07016	34.5
173.05988	6.1
177.09079	2.5
181.06320	2.7
181.06836	2.3
181.08569	30.6
183.08051	4.6
187.07500	7.7
189.04001	3.0
189.12746	4.4
197.09560	1.9
210.06781	3.0
211.07553	10.9
212.08319	6.4
225.09085	5.3
228.07742	2.9
229.08575	5.1
231.04936	8.9
243.10092	22.2
248.07616	3.4
257.07852	1.6
267.10193	5.9
275.12738	60.7
275.15680	3.1
283.09708	3.2
285.11105	7.7
287.12811	2.1
299.12741	35.3
300.12894	1.8
305.11578	1.9
309.11380	3.3
317.13861	11.9
323.12891	2.1
327.09708	2.5
327.13324	2.0
333.11292	2.6
337.14279	2.1
339.13300	3.2
341.13892	14.7
343.18997	13.7
365.13843	14.1
366.14041	1.8
367.12762	1.9
383.14737	11.1
462.46414	1.6
480.17712	2.6
490.16052	3.0
508.21652	2.1
540.19733	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	540.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27619	0.6
53.03924	0.7
55.01862	1.3
56.32541	0.6
56.60987	0.6
57.07069	0.6
61.02908	2.1
64.85008	0.6
67.05485	2.2
69.03429	3.5
69.07024	1.2
69.64363	1.3
69.64771	4.1
70.06566	1.2
71.04977	0.7
78.19599	0.6
79.05482	8.1
80.99393	0.7
81.03411	5.5
81.07034	4.4
85.02891	5.5
91.05481	3.5
93.03426	0.8
93.07005	3.1
95.01292	1.3
95.04934	2.5
95.08583	2.9
96.08929	0.6
97.02861	1.8
97.06506	1.5
98.21471	0.7
99.45846	0.7
100.47476	0.6
104.92659	0.6
105.03367	3.0
105.07005	3.9
106.22802	0.7
107.04929	2.4
107.08566	4.0
109.02863	1.4
109.06487	0.7
109.10139	1.6
111.33394	0.7
117.07005	1.4
119.08566	6.4
120.08086	0.8
121.02842	6.5
121.06474	2.3
121.10146	4.8
123.04404	5.2
123.11699	1.2
125.05956	1.0
127.03874	1.4
129.06973	2.1
130.50905	0.6
131.04964	1.4
131.08554	2.8
133.10048	1.4
135.08011	1.4
135.11690	0.7
136.07523	0.9
136.12009	0.7
137.05949	4.1
137.09605	1.6
138.09111	0.9
141.06963	1.3
143.08572	1.3
145.04974	1.0
145.06461	2.2
145.10086	2.0
146.07243	2.2
147.08023	44.1
149.05968	2.3
149.09604	0.7
155.08537	2.2
157.06519	0.9
157.10078	1.5
159.08015	3.3
159.11670	1.1
163.07527	2.1
166.08727	1.1
167.07089	1.0
167.08517	1.8
169.10107	0.7
171.07988	1.6
171.11594	1.6
171.50934	0.7
173.05943	1.1
175.07516	1.7
177.09189	0.9
181.10069	4.8
183.08012	1.9
183.11617	0.7
185.09561	1.6
191.06995	2.0
195.11702	3.9
197.09520	1.2
197.13356	1.5
199.11137	7.7
201.08981	1.1
205.10077	0.8
207.11595	1.5
208.08826	0.8
209.09540	5.0
211.07451	0.9
216.18187	0.7
223.11142	5.6
225.12590	4.2
227.10606	9.8
229.12175	0.7
233.09679	2.8
234.19394	0.7
235.10942	0.8
237.10229	2.9
241.08463	0.7
241.12222	2.4
245.11644	1.4
249.10353	2.0
250.11063	1.1
251.10440	6.5
252.20331	0.8
253.09720	2.2
253.12204	1.4
255.10130	3.8
265.09698	4.2
267.11206	1.6
269.11673	7.6
273.11148	11.2
278.10593	1.1
279.10712	4.3
280.12070	0.8
287.12775	2.4
291.07706	0.8
293.09195	2.6
293.12482	1.0
295.10834	1.4
295.14172	1.3
297.11188	14.0
298.11670	0.7
307.10757	1.4
309.12354	1.0
312.11005	2.9
312.38705	0.7
315.12213	52.4
316.12537	1.2
325.11584	2.7
327.13361	10.4
333.13275	100.0
334.13568	2.9
335.10257	1.5
337.11560	1.2
339.09326	1.1
339.13333	16.2
340.14050	0.8
343.11685	1.8
343.15460	0.7
353.11194	2.9
361.12723	4.3
367.12854	16.7
368.13498	1.5
378.15341	2.0
385.13815	2.8
399.15411	2.2
480.21146	1.1
490.16019	1.0
508.20828	20.9
540.21643	4.7
540.44781	1.1
541.20435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
67.05489	8.2
69.03409	6.9
70.06568	8.0
71.04981	2.2
71.67957	3.4
72.07484	1.9
79.05479	13.1
81.03391	5.6
81.07050	6.6
83.01344	1.8
85.02888	24.4
86.09699	2.6
91.03949	2.1
91.05461	9.0
93.07042	4.2
94.26582	2.1
95.04947	2.5
95.08579	3.0
97.02879	13.2
97.06499	4.5
99.04429	4.7
105.07017	4.1
107.04969	2.4
107.08576	47.3
108.08926	1.9
109.02848	3.8
109.06509	3.4
109.10142	2.0
115.05437	2.0
117.07001	5.7
119.08564	1.8
121.06498	6.0
125.09622	5.5
125.80879	1.8
127.03894	8.1
128.56055	1.8
135.08031	69.5
135.09067	3.4
145.04893	9.5
147.04384	2.1
153.09137	4.6
154.74197	1.8
163.03860	2.5
163.06183	3.3
163.07506	100.0
164.07086	6.5
166.35474	1.9
175.05643	1.9
180.08652	2.2
181.08556	74.7
199.07813	2.8
199.09634	51.8
200.10052	2.2
207.67520	1.8
219.10182	3.4
295.32498	2.0
296.11111	1.9
325.12701	5.2
343.13593	3.2
360.23743	2.4
378.24863	3.8
408.00763	1.9
426.24213	2.1
472.14084	6.5
490.15631	11.8
522.17877	4.2
540.18677	3.3
541.21204	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15544	0.9
53.03898	0.9
55.01859	0.7
55.05493	0.8
56.71100	0.7
60.53493	0.7
65.40742	0.9
65.58725	0.7
67.05486	2.5
69.03403	1.6
69.07040	2.2
70.01896	1.4
70.02189	5.1
70.06577	3.0
71.04948	1.3
73.52589	0.8
79.05489	1.9
81.03398	1.9
81.07037	7.9
82.07374	2.0
83.04948	1.7
83.08588	1.2
84.08127	1.1
85.02874	2.0
85.06538	1.0
87.57694	0.7
91.05463	2.0
93.07030	3.4
94.07363	1.3
95.04953	1.5
95.08614	4.7
96.08891	1.4
97.06491	1.7
98.21404	1.0
102.05683	0.9
105.07011	3.1
106.07294	1.1
107.08569	2.6
108.08105	1.1
108.08857	0.7
109.06506	1.0
109.10136	4.4
110.10435	1.0
119.08558	1.8
121.10126	2.0
122.06030	1.2
122.10503	1.6
123.11667	1.3
124.11982	1.1
131.08492	0.9
133.10104	1.3
134.05991	1.0
135.11673	1.7
136.07512	1.4
137.05927	1.3
137.09587	1.5
138.09103	0.9
146.06096	1.2
146.21777	0.9
147.11668	1.7
152.07036	3.7
154.08621	2.0
156.10194	5.5
164.75507	0.8
168.10197	2.7
172.03906	2.0
189.16299	1.2
194.08199	2.7
204.06467	1.3
208.09891	1.6
209.10745	2.3
221.10873	1.6
222.11398	1.3
223.08620	1.3
223.12242	2.3
224.09477	1.5
225.10159	14.2
225.11911	1.1
235.08701	3.1
236.09384	5.1
237.10181	13.0
238.11009	3.8
239.11775	1.9
239.16373	1.1
240.12512	6.8
241.13248	1.4
248.08966	1.1
249.10167	8.9
250.10916	5.4
251.07909	1.1
251.11760	22.0
252.12524	2.1
253.09698	15.3
253.13348	2.1
257.17477	1.4
263.08228	1.0
263.11725	3.0
265.09659	22.6
266.10464	3.4
267.11255	5.8
267.19580	1.5
268.12119	1.2
268.19669	1.3
269.12836	0.9
277.09653	4.8
278.10437	6.4
279.07751	3.3
279.11218	28.1
280.08987	1.1
280.11740	4.7
281.09628	1.2
281.12729	4.7
283.10840	2.1
284.11581	1.5
293.09171	11.3
293.12823	4.9
294.09891	3.1
295.10754	3.8
295.14023	1.8
297.12274	12.8
299.13855	9.1
306.09845	1.8
306.25070	1.1
307.10809	6.1
308.11508	2.1
309.12308	5.3
311.10248	4.3
311.13885	3.6
312.10971	9.1
312.14276	1.3
321.12396	1.0
323.13785	2.3
324.10999	2.5
324.26080	1.5
325.11783	25.2
326.12408	1.1
327.13336	38.9
335.10159	4.3
337.11957	1.6
339.13351	52.0
340.14175	7.4
352.10654	1.2
353.11279	8.9
357.14438	2.7
358.67902	1.0
367.12814	20.2
368.13629	6.9
369.14386	2.6
384.13223	1.4
385.13889	58.3
386.14206	1.8
399.15475	30.2
400.16193	6.1
404.51947	1.0
496.02457	0.9
508.20761	15.8
540.23352	100.0
541.23511	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	540.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44304	0.4
55.05477	0.4
55.07280	0.4
58.56385	0.3
59.66840	0.4
61.74664	0.4
67.05460	1.2
69.03389	0.5
69.07011	1.6
70.06555	1.0
79.05451	1.0
81.03362	0.5
81.07046	2.4
82.62295	0.4
83.08575	0.4
83.37801	0.4
84.08086	0.5
84.08874	0.4
85.02873	0.8
86.09682	0.5
93.06975	1.2
94.06494	0.5
95.04913	0.7
95.08542	1.4
105.06976	1.0
107.08549	0.7
109.10107	0.8
119.08512	1.0
120.04420	0.6
121.10081	0.7
122.05982	0.9
123.04388	0.7
137.05968	0.8
140.06996	1.4
146.05936	0.9
146.10397	0.4
152.07045	3.0
154.08549	1.1
156.10117	1.2
160.07503	0.6
160.26082	0.4
166.04869	0.6
168.10124	0.6
174.05473	0.4
176.10696	1.0
181.95804	0.4
194.08092	1.9
197.10791	0.5
204.06638	0.5
208.09785	0.6
209.10709	1.1
210.11569	0.5
211.08574	0.4
216.09959	0.4
221.10599	0.7
222.11485	0.6
223.08673	0.7
223.12231	2.2
224.09406	1.0
224.12973	0.5
225.10153	2.8
226.10750	0.5
233.10710	0.6
234.11340	0.6
235.08633	4.0
236.09282	3.8
237.10184	9.8
238.10928	3.1
239.11794	1.3
240.12466	0.8
248.09244	0.8
249.10217	9.5
250.10982	4.8
251.08391	2.0
251.11740	19.2
252.08893	0.9
252.12425	3.0
253.09682	14.7
253.13268	1.1
257.17383	1.0
261.10086	1.3
262.10876	0.8
263.08157	1.2
263.11789	1.9
264.08749	0.7
265.09668	19.7
266.10342	1.6
267.11267	5.5
268.11826	0.6
277.09659	3.3
278.07053	0.8
278.10434	8.5
279.07666	4.6
279.11215	24.2
280.11984	5.0
281.09430	0.8
281.12796	2.1
282.09903	0.5
283.10721	1.4
286.51822	0.5
289.09680	1.0
291.11203	0.7
293.09125	7.4
293.12787	6.6
294.09933	3.3
294.13354	1.0
295.10709	4.6
295.14355	2.6
296.11639	1.3
297.12296	6.3
306.09854	1.6
307.10736	3.0
308.11435	1.6
309.08942	0.8
309.12216	6.0
311.10162	4.5
311.13815	2.6
312.07529	0.9
312.10974	12.6
312.14627	0.9
321.12347	0.5
323.10422	0.7
323.13824	1.2
324.11005	3.9
325.11752	14.5
326.12338	1.0
327.13324	48.2
328.13623	1.3
335.10153	4.6
336.11008	1.0
337.11758	4.7
339.13333	100.0
340.13803	4.6
341.14670	1.1
342.26459	0.7
349.11606	0.9
352.10342	1.5
353.11261	7.5
354.11945	0.8
357.14365	1.2
361.12985	0.8
367.12827	84.2
368.13458	7.8
384.13086	1.1
385.13843	14.7
385.18872	0.7
399.15460	16.8
400.16122	1.0
467.20511	0.8
468.85712	0.4
476.17966	4.1
480.21100	2.2
508.20715	87.7
509.20972	2.8
526.21637	3.1
540.23334	13.3
541.23712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03379	0.6
69.07018	1.2
69.89722	0.8
69.90130	1.5
70.06535	0.7
81.03359	0.7
81.07024	0.4
84.04423	0.4
85.02869	0.4
86.09644	0.5
93.06998	0.7
94.06551	0.7
95.04884	0.5
98.21438	0.5
105.06978	0.6
107.08543	0.5
108.08052	0.4
109.02800	0.5
109.10087	0.8
109.19214	0.3
119.08542	0.5
120.04411	0.6
122.05964	1.1
123.04363	0.5
132.50381	0.4
137.05905	0.7
140.06989	1.4
146.05907	0.6
152.07048	1.8
154.08559	1.0
156.10164	0.9
165.09058	0.5
166.08566	0.9
172.03938	0.4
176.10669	0.8
183.32475	0.3
190.04906	0.7
194.08115	1.8
196.09637	0.5
198.11487	0.4
206.08005	0.4
207.09235	0.4
209.10674	1.2
209.48097	0.4
210.11588	0.5
214.60654	0.4
221.10596	0.5
223.08588	0.7
223.12314	1.9
224.09456	1.0
225.10110	2.7
225.13725	0.5
226.11055	0.4
234.09023	0.6
235.08636	2.4
236.09380	2.8
237.10185	8.4
238.10866	1.9
239.11688	1.1
240.12436	0.8
248.09337	0.9
249.10216	7.9
250.10930	4.8
251.08195	1.5
251.11754	12.4
252.08807	0.8
252.12497	2.0
253.09689	17.1
253.13489	0.7
254.10072	0.8
261.10168	0.7
262.11032	0.7
263.08133	1.0
263.11755	1.7
264.08673	0.6
265.09683	16.2
266.10452	1.7
267.11206	6.3
268.11844	0.7
269.12921	0.5
277.09692	3.3
278.06693	1.1
278.10455	7.4
279.07626	3.7
279.11237	16.3
279.14261	0.8
280.08609	0.6
280.12000	4.5
281.09286	0.5
281.12747	1.4
282.10104	0.8
283.10736	1.6
283.13760	0.5
289.09573	0.9
291.11295	0.9
293.09171	6.5
293.12811	5.8
294.09988	2.5
294.13370	0.9
295.10727	4.1
295.14380	3.7
296.11475	1.5
297.12253	4.8
299.13754	0.8
303.04977	3.0
306.09915	1.2
307.10730	2.8
308.11456	1.1
309.08884	0.7
309.12222	5.0
311.10193	3.3
311.13901	2.8
312.10999	13.7
312.14334	0.6
321.12326	0.9
323.10321	0.6
323.13821	1.6
324.11047	3.7
324.14490	0.7
325.11752	10.6
326.12506	1.2
327.13345	61.4
328.13763	1.7
334.09100	0.6
335.10153	5.0
336.10925	1.5
337.11813	3.8
339.13361	88.5
340.13937	4.7
341.15009	0.6
349.11621	0.5
352.10370	2.1
353.11246	9.1
354.12000	1.0
357.14450	0.6
361.02310	1.2
367.12851	79.9
368.13541	9.4
369.14258	1.2
384.13013	0.8
385.13818	6.0
399.15503	11.9
400.15924	0.9
434.18423	0.4
467.20493	0.9
476.18173	3.3
480.21194	2.6
508.20755	100.0
509.21130	4.0
526.21716	1.5
540.23425	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04212	1.0
67.05483	3.2
69.03407	3.1
69.07062	7.1
70.06583	3.8
79.05496	1.6
81.03403	3.2
81.07040	4.1
82.07366	1.2
84.08122	1.1
85.02885	5.5
91.05472	1.9
93.07040	2.7
95.04968	5.7
95.08572	2.3
96.08919	0.9
97.02876	4.6
105.07024	3.1
106.07435	1.3
107.04935	1.4
107.08564	1.1
108.08157	1.4
109.10113	2.0
117.07007	0.9
119.08564	1.9
120.04420	0.9
121.10107	1.6
122.06016	1.3
123.04391	2.9
123.11706	1.6
129.06900	1.2
131.04903	1.1
131.08566	2.1
133.06474	1.9
135.11722	1.1
137.05959	7.7
139.03806	1.3
140.07033	5.6
143.08533	1.8
145.10175	1.1
149.05962	1.3
152.07080	1.8
154.08621	5.3
155.08568	1.5
156.10184	1.0
157.06511	1.2
159.08025	3.2
167.07060	2.6
167.08484	1.6
172.03912	1.1
175.07571	2.2
176.10616	1.2
181.10110	3.5
183.07988	1.1
193.08632	1.3
194.08139	1.7
199.11230	1.0
201.09090	1.4
203.07057	1.4
209.09383	1.8
216.10126	1.1
224.09642	1.1
225.10175	2.5
227.10594	4.3
233.09387	1.4
235.08647	2.9
236.09425	2.1
237.10197	9.2
238.10939	2.5
248.09268	1.5
249.10161	8.4
250.11012	3.6
251.08287	1.1
251.11845	14.7
251.20001	1.5
252.12492	2.0
253.09761	14.9
253.12524	1.5
255.10150	3.3
262.11008	1.5
263.11691	1.7
264.09143	1.4
265.09665	17.1
266.10406	2.1
267.11130	4.4
269.11780	1.9
270.52396	1.0
277.09784	3.1
278.06726	0.9
278.10410	5.5
279.07602	2.9
279.11191	18.2
280.11987	4.4
281.09167	1.1
281.12582	2.2
291.11188	1.8
293.09180	8.2
293.12759	5.9
294.09888	3.2
294.13022	1.2
295.10745	4.6
295.14404	3.9
296.11478	1.1
297.12152	6.7
307.10553	4.3
308.11603	2.1
309.12329	6.4
311.10260	4.6
311.13647	1.9
312.10999	11.6
313.11880	2.0
315.12094	4.9
321.12378	1.5
324.11075	2.4
325.11520	14.2
325.14716	1.1
326.12451	1.9
327.13342	44.4
335.10056	5.2
336.11108	2.5
337.11624	6.5
339.13339	82.3
340.14029	4.0
341.15094	1.7
343.11761	9.5
353.11298	11.5
354.11884	2.0
357.14310	1.4
361.12695	7.1
367.12848	71.3
368.13638	7.3
385.13840	9.2
399.15424	12.1
406.50995	1.0
427.13712	2.0
439.14096	3.0
452.18048	2.0
459.17191	1.1
467.20380	4.7
476.18158	3.4
480.21417	4.9
508.20752	100.0
509.21039	4.1
526.21478	1.7
540.23285	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	540.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	0.7
69.06973	8.5
69.07378	0.9
69.88271	0.4
70.06496	1.2
71.01435	1.2
79.05338	0.4
81.06992	0.8
85.02827	0.7
91.05386	0.7
94.06457	0.5
95.08532	0.8
107.04855	0.6
108.08065	1.1
109.10058	0.6
110.61139	0.4
111.07968	0.5
120.04390	0.6
122.05922	1.4
124.07552	0.5
126.58202	0.5
138.05463	0.5
140.07033	8.5
146.05919	0.6
152.06946	0.5
154.08606	4.5
168.10045	1.2
172.03833	0.9
172.90392	0.5
192.10065	0.5
194.08080	0.5
199.12151	0.8
204.06462	0.5
210.11246	0.5
211.12035	0.8
212.09291	0.6
216.10045	1.4
217.68997	0.4
223.08624	0.6
223.12151	0.5
224.09317	0.6
225.10126	2.6
226.10846	1.2
227.11523	0.5
235.08508	0.7
236.09290	1.0
237.10199	3.5
238.10960	1.1
239.11705	1.6
243.11124	0.6
248.09143	1.6
248.15125	0.8
249.10117	1.7
250.10945	0.9
251.07851	0.6
251.11703	4.2
252.08801	0.6
252.12308	0.9
253.09630	5.8
261.12415	0.5
263.11636	1.7
264.08890	1.0
265.07428	0.5
265.09695	6.0
266.10242	0.8
267.11234	4.1
268.11945	0.6
275.13757	1.0
277.09576	1.0
278.06506	1.0
278.10211	1.0
279.11188	5.4
280.11789	2.3
281.09183	0.9
281.12711	1.9
283.10706	1.2
285.12225	1.8
286.12949	0.7
291.11041	0.5
293.09064	3.0
293.12598	1.3
294.09842	1.3
295.10614	3.2
295.14285	3.8
296.11407	1.4
297.12262	5.9
301.15314	1.5
306.09476	1.7
307.10559	1.7
309.12317	3.3
311.10141	2.3
311.13815	2.6
312.10907	3.9
312.42828	0.5
313.11755	2.1
313.14883	0.5
314.12646	0.5
324.10858	1.2
325.11731	5.6
326.12488	1.0
327.13324	20.4
328.14139	1.4
335.10239	1.8
337.11743	3.5
339.13321	22.9
340.13983	3.7
341.14731	1.0
346.15561	0.5
353.11273	5.1
354.11929	2.6
362.15375	0.7
367.12811	14.6
368.13568	3.1
369.14401	0.9
372.40573	0.4
385.13660	2.6
392.15884	0.8
399.15393	1.9
400.15732	0.5
424.18915	1.0
435.17987	1.4
448.18137	0.6
452.17654	2.4
465.18900	0.8
467.20374	6.0
476.17990	2.8
480.21216	8.5
508.20712	100.0
509.20874	3.3
526.21606	1.0
540.23328	19.7
541.23419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14607	0.3
61.41715	0.4
61.64328	0.4
67.05479	0.5
69.07061	8.3
70.06578	1.4
75.18148	0.3
80.59171	0.3
81.03396	0.5
81.07044	0.9
85.02896	0.7
85.54124	0.3
91.05437	0.5
93.07028	0.4
94.06556	0.7
95.08567	0.5
108.08125	0.8
109.10108	0.4
119.08600	0.4
120.04433	0.9
122.06032	0.6
123.04394	0.4
126.09126	0.5
134.05962	0.5
136.07547	0.5
137.05948	1.5
138.09081	0.7
140.07031	7.2
140.08134	0.4
146.05972	0.6
150.05460	0.5
152.07066	0.8
154.08609	6.1
160.07521	0.5
168.10201	0.6
172.03914	0.9
188.09337	0.4
192.10400	0.4
199.12282	0.4
204.06563	0.7
207.37778	0.4
216.10217	1.1
219.92303	0.4
223.08600	0.5
224.09326	0.4
225.10269	1.8
226.10951	0.6
227.11569	0.5
236.09422	0.6
237.10161	3.7
238.10866	0.9
239.08333	0.6
239.11800	1.5
243.11211	1.0
248.09178	1.1
248.15210	0.7
249.10123	1.1
250.10995	0.9
251.11729	2.6
252.08887	0.8
252.12500	0.8
253.09659	4.9
253.12335	0.4
253.13391	0.5
253.38158	0.4
253.78320	0.4
263.11819	0.9
264.12668	0.5
265.09717	3.5
265.12439	0.5
266.10394	0.6
267.11237	4.0
268.11859	0.7
275.13861	1.2
277.09729	1.2
278.06586	0.9
278.10440	1.0
279.11212	4.7
280.12027	1.7
281.09244	0.6
281.12759	1.4
283.10742	1.2
285.12280	2.3
286.12933	0.6
291.11221	0.7
293.09225	2.3
293.12769	1.1
294.09940	0.9
295.10733	3.0
295.14374	2.5
296.11514	1.5
297.12335	4.6
301.15463	1.1
303.13354	1.6
306.09692	1.0
307.10660	1.0
309.12283	2.7
310.13037	0.5
311.10196	2.1
311.13950	1.9
312.10965	4.0
313.11835	2.3
323.10324	0.6
324.11044	0.8
325.11716	5.6
326.12442	1.1
327.13333	17.8
328.14099	1.8
335.10226	2.6
336.10709	0.5
337.11792	3.8
339.13351	20.1
340.14087	2.4
341.14813	1.1
353.11203	5.1
354.11942	2.2
367.12830	10.9
368.13480	3.6
369.14340	1.0
385.13867	0.7
392.16122	0.7
393.14221	0.7
406.17792	0.5
420.15323	0.7
421.13330	0.6
424.18661	1.0
434.16983	0.9
435.17783	1.7
440.22058	0.5
448.19073	0.5
452.17969	2.8
463.18622	0.5
465.18765	0.6
467.20416	5.4
472.15048	0.5
476.18338	2.3
480.21286	6.1
490.15378	1.9
508.20731	100.0
509.20837	2.3
526.21649	1.6
540.23444	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	540.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02973	0.6
52.34688	0.5
56.96499	6.3
71.68102	0.9
71.95190	1.4
98.58329	0.6
98.97563	46.0
116.98598	47.9
117.51894	0.6
134.99632	33.4
140.00079	1.7
153.00659	4.3
158.01164	1.7
172.94310	1.3
190.95346	3.7
208.96404	2.5
214.95399	1.3
232.96437	7.5
234.99875	1.0
240.98584	0.6
250.97513	5.9
256.96362	12.5
258.99734	5.9
260.00006	0.6
274.97461	100.0
275.82254	0.7
275.97815	1.8
277.00769	13.2
282.99945	0.6
290.95602	1.1
292.98517	79.1
293.98999	1.1
297.99051	6.4
298.97522	1.1
300.02252	1.0
301.00967	1.0
307.54984	0.5
310.99551	0.6
314.95432	0.9
315.99997	3.3
316.98694	3.9
317.98926	0.7
318.98807	0.6
332.96631	1.6
374.97949	1.3
382.99985	0.9
398.97540	20.1
399.97772	0.9
401.00870	3.0
416.98599	55.2
417.98975	2.2
419.02075	1.1
432.96634	1.3
433.97833	0.6
434.99695	11.7
440.00128	4.8
456.96863	1.7
458.99930	1.2
474.97729	1.0
498.98883	0.8
540.98755	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	541.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
52.69483	1.9
53.03938	6.2
53.54200	2.0
55.01859	5.9
55.05502	22.6
57.03414	6.2
57.07056	6.6
59.04982	2.7
61.02919	4.6
67.05502	24.1
68.99781	2.2
69.03416	32.3
69.07053	15.7
70.06566	9.0
71.04979	8.0
71.69240	3.6
73.02895	3.9
73.45549	2.0
79.05482	15.2
81.03401	24.5
81.07050	36.6
83.04980	22.2
83.08614	10.5
84.08134	6.9
85.02901	46.0
85.06525	35.1
86.09678	3.0
87.00808	16.6
91.05473	17.1
93.07022	26.1
95.04961	8.2
95.08592	28.1
97.02342	2.3
97.02885	17.4
97.06513	8.3
97.10139	5.3
99.04449	12.6
99.08065	8.8
101.06017	2.3
103.05402	2.3
105.01831	6.2
105.07005	20.3
107.04929	5.3
107.08572	26.6
109.02869	18.7
109.06499	7.0
109.10142	49.3
110.07153	2.5
111.04391	3.6
111.08059	7.0
111.11725	3.1
113.09631	3.5
117.06973	5.7
119.08550	27.5
121.06527	5.9
121.10132	30.8
123.04414	2.5
123.08050	5.4
123.11652	6.0
125.09621	16.0
127.03888	31.2
129.06972	3.5
129.10260	3.0
131.08540	18.8
133.06491	3.7
133.10114	24.7
135.04425	2.5
135.08049	13.0
135.11685	11.4
137.09610	27.1
137.13240	6.3
139.11157	100.0
141.12685	4.1
142.07761	2.7
143.08549	9.6
144.09300	3.8
145.04930	8.5
145.06499	4.2
145.10097	24.9
147.08093	3.9
147.11681	19.7
149.09630	11.4
149.13239	5.1
151.11139	4.9
153.09146	3.5
155.08600	3.3
155.10641	41.7
156.09303	3.8
157.10162	10.8
158.10812	3.0
159.02878	9.7
159.08018	7.5
159.11679	20.0
161.09654	6.0
161.13234	6.5
163.11171	5.4
165.09100	3.2
169.10074	6.5
171.11652	8.4
173.09578	5.6
173.13239	25.8
175.11096	4.7
175.14818	4.2
177.12717	3.3
179.10556	2.6
181.10075	3.1
182.10823	2.4
183.11679	7.3
185.13240	4.3
187.11153	9.5
187.14801	12.9
189.12756	6.0
189.16333	3.8
191.14323	6.9
193.12238	2.9
195.11670	2.8
197.13263	6.4
199.05946	2.5
199.14803	9.6
201.12698	14.4
203.14288	3.1
203.17911	4.6
207.13731	3.2
213.16386	3.9
215.14339	15.0
215.17984	6.3
217.08583	3.8
217.13284	2.1
217.15828	7.7
219.04817	2.7
219.13776	8.4
229.19516	9.6
231.04938	6.7
234.22455	2.1
239.17905	9.2
244.58684	2.2
257.18930	35.1
263.64832	2.5
275.20026	74.0
293.21091	63.2
338.67352	2.6
479.41965	2.2
497.85297	2.4
541.28375	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	541.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
54.05905	1.6
55.01860	3.8
55.05505	9.4
57.03404	2.8
57.07064	2.2
67.05493	13.1
69.03422	11.8
69.07055	9.4
70.06573	12.0
70.40383	5.7
70.40817	2.8
71.04961	4.8
73.02908	2.8
75.80761	1.5
79.05477	15.4
81.03400	13.8
81.07044	20.1
83.04972	8.5
83.08590	3.8
84.04454	1.9
84.08130	7.1
85.02894	15.3
85.06535	9.8
85.90330	1.6
85.98876	1.6
87.00804	6.4
90.88790	1.7
91.05466	19.2
93.07034	26.1
95.04947	6.7
95.08591	21.1
97.02875	6.6
97.06512	2.7
99.04417	2.0
99.08076	1.9
103.05400	1.5
105.01874	2.3
105.07014	16.1
107.04929	6.4
107.08565	17.5
109.02848	7.2
109.06487	6.0
109.10126	15.0
110.07193	1.5
111.08068	3.2
113.09632	5.4
117.07011	4.5
119.08562	18.6
121.06456	9.1
121.10130	20.1
122.07275	1.7
123.04402	2.1
123.08038	4.8
123.11670	5.3
125.09594	5.7
127.03885	8.1
129.06998	2.3
129.10254	4.4
130.07806	2.2
131.08549	16.1
133.10097	13.0
135.08035	6.2
135.11673	8.3
137.05930	3.3
137.09596	30.6
139.11169	3.8
143.08577	4.5
145.04942	1.8
145.06461	4.3
145.10100	16.5
146.42650	1.7
147.02907	1.8
147.08018	4.3
147.11659	6.9
149.09615	6.0
149.13217	2.2
151.11140	2.6
155.08569	2.2
155.10704	2.2
157.10121	4.5
158.10982	2.2
159.08011	6.0
159.11662	9.9
161.09581	5.4
161.13252	3.1
163.11169	11.0
165.09047	12.2
169.10092	2.5
171.11627	2.9
173.09578	3.6
173.13254	18.3
175.11191	3.8
175.14813	4.8
177.08966	2.2
177.12749	4.1
183.11606	2.7
185.13136	1.9
187.11122	2.2
187.14828	2.8
189.12715	1.8
191.14255	4.0
199.14803	4.7
201.12657	8.7
205.12210	1.8
207.13794	2.7
217.15822	3.8
219.13683	2.5
239.17867	3.3
257.18961	27.6
275.20004	100.0
276.20447	2.6
293.20963	11.3
370.14941	4.0
392.82440	2.2
437.08258	2.1
509.21643	2.2
541.21411	5.0
541.29602	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	541.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75927	2.6
53.03939	9.3
55.01857	5.9
55.05504	26.4
57.03416	10.1
57.07071	15.0
59.88473	2.9
61.02914	5.8
66.28009	2.6
67.05493	36.4
68.99774	5.8
69.03421	100.0
69.07063	59.8
70.06580	10.3
71.04974	14.6
71.08617	12.1
71.68022	3.9
73.02898	5.7
79.05484	20.0
81.03408	30.1
81.07047	67.7
83.04966	5.1
83.08611	37.2
84.08137	8.4
85.02901	53.2
85.06496	6.8
85.10172	3.6
87.00809	28.1
91.05463	18.3
93.07025	25.2
95.04943	9.1
95.08589	66.5
97.02879	49.6
97.06516	6.0
97.10146	21.0
99.04448	16.0
99.08060	5.9
105.01844	16.6
105.07003	12.9
105.08787	2.8
107.04956	7.8
107.08580	21.5
109.02863	14.1
109.06499	7.1
109.10146	45.6
111.04435	3.7
111.08091	5.5
111.11683	15.8
115.03890	8.9
117.06984	6.1
119.08549	13.4
120.75200	3.1
121.06477	4.7
121.10131	16.3
123.04407	6.6
123.08057	5.5
123.11687	30.2
125.09557	5.9
125.13282	4.2
127.03889	34.6
127.11209	4.4
128.06267	3.2
129.07001	4.1
131.08536	7.3
133.06474	3.8
133.10126	11.9
135.08018	6.6
135.11679	6.5
137.05957	4.1
137.09592	5.6
137.13245	17.8
143.08517	4.9
145.04916	7.7
145.10132	8.2
147.08014	4.0
147.11670	7.1
149.09656	3.7
149.13246	8.0
151.14783	7.1
157.10112	6.4
159.11691	9.4
161.13220	4.6
163.14807	5.2
165.09108	4.3
171.11682	6.3
173.09644	5.1
177.16415	4.5
181.12125	3.6
187.05948	3.5
201.03920	44.9
213.03961	8.7
231.04958	25.5
249.06017	7.9
253.19562	3.9
275.19888	4.6
275.27222	4.0
281.28290	3.5
293.28311	6.9
295.30020	5.3
300.50635	3.1
361.27228	3.2
383.29462	8.2
401.30432	13.6
419.31363	9.4
492.17694	3.6
523.32788	9.0
541.27484	2.9
541.35162	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
54.68778	2.0
55.01852	8.7
55.05503	24.0
57.03412	5.4
57.07058	3.5
58.48656	1.8
59.04979	7.6
65.03504	1.7
65.03900	3.3
65.40731	2.1
67.05488	34.7
67.92927	1.8
68.97322	1.8
69.03400	3.8
69.07051	18.3
70.06602	2.4
70.45972	6.6
71.04978	6.1
79.05028	2.5
79.05476	33.5
81.03406	27.8
81.07035	31.3
81.07478	2.9
83.04977	10.0
83.08595	17.6
83.60115	2.0
85.02876	7.8
85.06503	5.5
90.12684	1.9
91.05454	31.6
93.07025	22.8
95.04942	16.6
95.08581	21.7
97.06522	7.9
97.10146	10.7
98.20709	2.6
98.21272	4.0
103.05434	2.8
105.07011	24.7
107.04918	10.2
107.08571	17.5
109.06521	6.6
109.10146	14.6
111.04440	3.7
111.08046	5.4
113.09610	1.9
117.06979	11.9
119.08553	21.9
121.06466	4.2
121.10125	9.5
123.04410	3.2
123.08060	4.4
125.09581	6.9
128.06134	2.0
129.05452	2.7
129.06981	13.1
131.08530	22.3
133.06485	5.9
133.10089	12.3
135.08038	5.2
135.11674	5.4
139.03871	3.5
141.06966	5.3
143.08542	14.1
145.06490	5.4
145.10069	16.7
147.07997	5.1
147.11650	12.7
149.09592	7.8
149.13199	2.8
153.54060	1.9
155.08553	7.9
157.06462	3.5
157.10094	17.2
159.08054	5.3
159.11682	10.4
159.74854	1.8
161.09624	3.0
161.13293	4.4
163.11145	7.5
167.08591	3.8
167.10649	2.5
169.10100	10.2
171.08063	4.9
171.11656	9.6
173.09676	3.7
173.13234	4.2
175.11122	4.8
179.14325	4.1
181.10114	3.1
182.10730	2.0
183.08006	2.3
183.11659	9.6
185.09598	3.4
185.13245	5.9
187.11122	3.2
187.14832	2.6
189.11237	3.7
193.10555	2.4
193.12135	10.3
195.11601	4.1
197.13304	6.6
199.11105	3.4
199.14737	2.3
203.14406	2.4
209.13202	3.0
211.11273	3.4
211.14850	4.1
213.12660	3.6
215.05525	3.8
221.13277	2.9
224.08281	2.7
239.07045	2.2
239.14352	2.3
239.17880	2.7
253.19409	12.5
255.09953	2.2
256.26230	2.5
257.18942	5.0
266.93201	2.0
275.20074	20.6
283.06042	2.7
297.22025	2.5
323.20053	2.0
351.23129	3.3
355.22601	3.7
369.23587	2.4
393.27979	2.0
399.25421	4.2
431.29501	6.6
449.30475	12.9
467.31491	8.3
522.67682	2.1
523.14014	4.0
523.34241	10.9
541.13849	3.4
541.35193	100.0
542.35590	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	541.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18890	1.1
51.02365	2.2
53.03941	9.3
55.01862	15.5
55.05502	27.9
57.03419	5.7
57.07060	1.5
62.44851	1.2
65.03930	4.6
67.05494	61.8
69.03426	2.4
69.07058	43.6
69.67191	1.3
70.04739	6.8
71.04987	3.5
79.05099	1.0
79.05479	57.1
81.03403	100.0
81.07040	59.5
81.07539	1.4
83.04971	11.2
83.08605	22.5
85.06539	2.0
91.05464	79.1
93.07029	44.2
95.01317	14.1
95.04954	42.3
95.08589	37.0
97.02868	2.9
97.06519	19.5
97.10161	7.5
98.20939	3.3
98.21511	1.3
99.08076	1.2
103.05473	2.6
105.07014	84.3
107.04926	29.1
107.08583	22.1
109.06503	7.5
109.10128	11.9
111.04447	2.0
111.08058	5.7
113.09647	1.8
115.05452	4.0
116.06249	1.3
117.07001	24.4
119.04935	1.9
119.08562	51.7
121.06487	9.3
121.10126	12.1
123.04451	3.2
123.08057	6.3
123.11704	3.0
125.09624	3.4
128.06255	3.5
129.06989	17.1
131.08548	35.5
133.06468	4.8
133.10109	45.2
135.08061	5.4
135.11661	6.5
137.09639	4.1
138.06978	1.2
139.07480	1.3
141.06967	3.8
142.07738	4.3
143.08534	8.4
145.06488	4.9
145.10098	23.8
145.30511	1.1
147.08032	3.2
147.11659	19.5
149.09590	13.7
149.13251	4.4
151.11171	1.8
155.08546	5.4
157.06506	1.5
157.10092	13.3
159.08057	3.0
159.11681	15.5
161.09654	2.6
161.13190	6.4
163.11169	4.2
165.09134	2.5
165.12778	2.3
167.08522	1.9
169.10110	7.6
171.11681	8.1
173.09590	1.9
173.13303	4.0
175.11095	7.5
177.12717	4.6
179.08502	1.3
179.14268	20.3
181.10091	3.1
183.11641	5.9
185.13266	2.9
187.11206	5.4
187.14787	1.7
189.11221	1.3
189.12758	1.8
193.10429	2.2
193.12198	15.8
195.11713	2.5
197.13303	4.8
199.11293	1.7
205.12274	1.8
209.13286	1.2
211.14825	1.7
213.12746	1.4
213.16339	1.7
219.17474	3.2
227.12776	1.7
239.18008	3.1
241.14305	2.5
247.20439	2.6
249.14951	4.3
257.18982	8.9
267.15881	2.9
268.10822	1.5
273.18445	1.4
275.20016	86.6
277.15619	1.4
293.21149	10.0
313.21616	1.4
331.22473	1.2
349.23663	3.7
353.54504	1.2
425.27539	1.3
431.29181	2.4
449.30496	4.1
467.31631	3.3
511.92233	1.3
523.34070	4.5
541.35181	81.5
542.35925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.2
51.02376	1.5
52.51792	0.8
53.03935	7.2
55.01865	2.8
55.05502	25.2
57.03421	3.5
57.07061	2.3
62.81521	0.7
65.03929	5.2
65.86147	0.7
67.05495	76.1
69.03415	2.2
69.07056	18.0
69.43191	3.6
69.43623	3.9
71.04972	4.1
71.08633	1.0
73.06541	1.5
77.03928	2.5
79.05482	97.8
81.03407	8.2
81.07046	66.5
83.04967	11.0
83.08606	9.9
85.06532	2.7
90.01322	0.7
91.05012	0.9
91.05465	65.2
93.07029	86.9
95.04488	0.5
95.04955	24.1
95.08591	44.7
97.06524	5.3
97.10154	4.1
98.20535	0.9
101.06060	0.8
103.05466	2.3
105.04513	1.9
105.07013	46.8
107.04926	8.4
107.08578	36.0
109.06503	6.3
109.10137	13.5
111.08068	2.0
115.05445	2.3
117.06995	12.5
119.08565	30.8
121.06497	2.7
121.10117	21.0
123.08067	6.0
123.11723	3.2
125.05923	0.9
127.07559	0.9
128.06210	3.2
129.06976	15.7
131.08548	12.6
133.10112	18.1
135.08046	1.4
135.11670	11.8
137.09552	1.1
141.07011	0.8
141.09222	0.9
142.07793	1.0
143.08546	9.7
145.10097	14.9
147.08037	2.8
147.11665	39.3
149.13231	5.4
155.08539	2.9
156.09271	0.8
157.10085	2.0
159.11668	6.3
161.09619	5.9
161.13235	18.4
163.11191	1.1
163.14856	1.5
169.10150	2.0
171.11664	30.7
173.13232	4.2
175.14807	1.6
177.12793	1.2
183.11687	2.0
185.13232	1.8
187.14838	2.3
189.12706	12.6
197.13295	1.1
199.14879	1.3
207.11795	1.8
207.13776	32.1
222.14520	0.9
223.14853	1.0
225.14838	2.9
243.21207	1.6
261.22141	5.9
281.17487	2.4
301.78934	1.0
317.24820	2.1
417.12152	0.7
431.33127	1.2
449.34189	3.9
463.11172	0.7
467.35138	2.2
485.35446	1.0
523.37708	2.6
541.38806	100.0
542.39270	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	541.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03935	8.8
53.93159	0.8
55.01852	4.1
55.05505	29.4
57.03430	3.9
57.07053	2.0
61.83541	0.9
65.03924	5.5
67.05496	82.2
69.03412	2.7
69.07059	19.8
69.45620	7.8
69.46036	1.4
71.04983	3.3
73.06535	1.9
77.03914	0.9
79.05481	100.0
80.05821	1.1
81.03409	8.2
81.07043	70.7
82.31087	0.8
83.04965	10.5
83.08600	9.2
85.06538	3.3
91.05025	1.1
91.05468	67.9
93.07030	88.2
94.07375	1.1
95.04953	23.7
95.08588	43.8
97.06514	5.5
97.10163	3.7
99.08071	1.0
103.05439	2.0
105.04527	1.8
105.07016	46.5
107.04960	6.3
107.08575	32.9
109.06499	6.2
109.10130	13.4
111.08079	2.2
115.05441	1.6
117.07002	13.1
119.08561	31.2
121.06492	2.5
121.09260	1.7
121.10123	22.4
123.08071	5.3
125.09582	0.9
127.07539	1.2
128.06239	3.0
129.06975	14.2
130.07687	1.4
130.84105	1.0
131.08557	12.6
133.06508	1.5
133.10103	18.9
133.11015	1.6
135.11693	11.1
137.09639	2.0
141.06927	1.1
141.09042	0.8
143.08556	9.0
145.06474	1.1
145.10088	15.1
147.08051	2.5
147.11665	32.4
149.13248	3.9
155.08597	2.4
157.10117	2.0
159.11639	5.7
161.09610	3.7
161.13246	16.5
163.11142	1.4
165.09219	0.9
167.65532	0.8
169.10114	2.5
171.11671	26.6
173.13181	4.5
175.14885	1.2
179.14244	1.3
181.10103	1.8
183.11702	2.0
185.13188	1.5
187.14876	2.7
189.12714	9.9
197.13284	1.5
199.14848	1.4
207.13780	24.0
211.14880	1.0
225.14796	2.6
261.22122	3.7
265.19199	0.9
281.17352	1.9
315.63226	1.0
317.24744	1.5
359.63968	1.1
431.33414	1.4
441.27463	0.9
449.34180	2.8
467.35342	1.7
541.38831	71.2
542.39227	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	541.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72183	1.0
53.03944	2.8
55.01855	2.6
55.05505	11.3
57.03439	1.7
57.07070	4.3
60.64800	1.0
60.75425	1.0
65.03923	2.2
67.05492	25.9
69.07054	10.0
70.06597	1.7
71.08611	1.9
71.69310	1.6
71.69733	1.1
73.06553	1.2
79.05480	25.1
81.03421	1.9
81.07043	23.9
83.04966	2.8
83.08611	6.9
85.06536	1.9
88.07623	2.4
91.05465	24.8
93.07034	25.3
95.04926	6.2
95.08585	16.6
97.06506	2.3
97.10152	4.7
99.08041	1.4
102.09164	1.5
105.07012	18.2
107.08575	11.7
109.06475	1.8
109.10109	5.7
115.05464	1.2
117.06958	8.1
119.08563	14.1
121.06462	1.2
121.10147	5.7
123.08118	1.8
123.11684	1.5
124.97789	1.1
125.09683	1.2
128.06253	3.3
129.06996	10.9
131.08531	15.4
133.10124	6.6
135.11646	5.3
141.07008	3.2
142.07730	1.5
143.08534	14.9
145.10103	14.8
147.11676	7.2
149.13251	2.4
155.08516	7.6
156.09279	1.2
157.10121	12.2
159.11676	6.6
161.13246	3.7
167.08554	3.4
168.09325	1.6
169.10091	10.7
171.11696	12.6
173.13289	4.0
175.11157	1.3
177.12589	1.2
179.08624	2.1
181.10146	4.7
183.11697	8.7
185.13243	5.4
187.14816	2.5
193.10156	2.1
195.11650	3.0
196.24274	1.1
197.13268	5.2
199.14825	4.2
201.16309	2.1
207.11917	2.2
207.13895	3.7
209.13313	3.6
211.14880	4.3
213.16451	2.3
221.13242	2.7
223.14839	3.0
225.16426	2.5
227.18016	1.8
235.14793	1.8
237.16344	2.3
239.18015	2.8
243.21004	1.9
249.16374	1.3
253.15971	1.1
256.26428	2.8
257.26633	3.4
261.22238	3.2
269.19113	1.4
285.21899	1.3
297.22238	1.8
311.29379	2.1
312.29749	2.4
317.24701	3.2
325.25186	1.5
351.26776	1.5
355.26376	1.3
367.26132	1.3
369.28000	1.3
381.27856	1.5
398.48505	1.2
421.34375	1.6
431.32883	5.5
439.36008	1.6
439.41882	1.2
449.34064	13.8
467.35132	4.8
485.36136	3.8
505.36694	1.5
523.37805	11.4
541.38849	100.0
541.52307	12.6
542.39063	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	543.3673
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
51.88731	0.7
53.03939	2.2
55.01859	2.4
55.05506	13.9
57.03422	2.9
57.07070	1.5
59.05001	0.8
65.03915	1.2
67.05495	23.4
69.07059	9.6
71.04967	1.2
71.14649	1.2
71.14978	1.4
79.05486	19.5
81.03408	3.8
81.07045	21.2
83.04973	2.7
83.08607	8.7
85.06516	2.0
91.05475	16.7
93.07032	17.6
95.04956	5.0
95.08593	13.4
97.06511	3.4
97.10146	7.9
102.08772	0.7
105.07010	14.5
107.04942	2.9
107.08587	11.0
109.06500	2.1
109.10144	8.8
111.08064	2.6
115.05443	1.5
117.07011	11.5
119.08575	12.0
121.06497	2.4
121.10137	6.0
123.08104	2.1
123.11677	2.7
124.47563	0.8
125.09611	6.1
128.06213	1.9
129.06989	9.5
130.07800	1.4
130.64784	0.7
131.08551	17.9
133.06477	1.2
133.10107	7.6
135.08014	3.5
135.11681	2.3
141.06961	2.8
142.07765	2.8
143.08537	10.8
145.06465	2.4
145.10126	11.7
147.07997	2.1
147.11647	6.9
149.09645	1.9
149.13231	2.2
151.11208	0.9
153.09053	0.7
153.12708	0.8
154.07712	1.1
154.61617	0.8
155.08524	6.1
157.10109	9.4
159.08003	2.7
159.11679	8.5
161.09621	1.5
161.13229	2.5
163.11232	1.3
166.07869	0.8
167.08563	2.8
168.09489	0.9
169.10117	7.2
171.08017	2.1
171.11662	7.7
172.08914	1.0
173.09616	2.9
173.13177	6.0
175.11174	2.5
175.14844	1.6
179.08588	1.1
181.10126	4.0
183.11678	6.1
185.09619	2.7
185.13257	6.0
187.11186	2.3
187.13039	0.7
187.14845	2.2
189.11197	3.3
189.12747	1.4
189.16434	0.9
193.10172	1.5
193.12219	1.1
195.11674	4.8
197.13271	3.8
199.11299	0.9
199.14763	3.6
201.12733	1.4
207.11687	1.4
209.13301	3.2
211.11288	1.4
211.14821	1.9
213.12761	1.3
215.14359	1.3
221.13263	1.4
223.14815	1.9
225.16370	1.4
227.12767	2.7
233.15282	1.0
235.14841	0.8
241.15929	1.3
241.19524	1.4
255.21199	0.9
259.20493	3.9
265.19778	1.0
267.15994	2.4
275.20178	2.0
283.17557	0.8
283.20609	3.4
297.22098	3.1
299.20566	1.3
299.23581	5.7
301.21646	2.1
313.21738	1.1
315.23349	1.4
321.21628	0.8
325.21619	0.9
327.23077	1.5
333.24115	1.3
353.24509	0.8
357.24142	1.8
371.25519	1.4
405.31561	1.1
415.30087	1.7
421.25565	0.7
423.32596	2.5
433.30972	7.9
434.49734	0.7
451.31970	9.7
469.32925	4.8
471.31705	1.0
507.34930	1.7
515.37653	1.8
525.35693	19.3
543.36743	100.0
544.37134	2.5
547.93304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
51.88518	0.8
52.20157	0.8
53.03918	1.8
54.56466	0.7
55.01862	4.3
55.05238	1.3
55.05500	22.1
55.82250	0.7
55.97678	0.7
57.03435	4.9
57.07059	1.4
65.03932	1.8
67.05141	1.7
67.05494	34.2
69.03404	2.9
69.07055	15.1
71.04976	3.1
79.05480	26.9
81.03386	3.8
81.07042	37.7
83.04961	4.1
83.08606	10.3
85.06522	2.3
91.05464	24.8
91.06037	1.4
93.06442	1.2
93.07027	24.9
95.04954	7.4
95.08591	18.1
97.06506	5.4
97.10147	11.7
99.08043	1.6
103.05441	1.1
105.07011	21.3
107.04942	4.4
107.08572	16.9
109.06506	3.9
109.10140	9.4
111.08050	2.0
115.05428	2.1
116.06239	0.9
117.06993	13.5
118.55647	0.8
119.08557	19.4
121.06479	3.5
121.10116	7.7
123.08025	3.1
123.11699	3.5
125.09623	7.5
128.06245	3.1
129.06998	9.6
131.04901	0.9
131.08537	19.7
133.06459	1.5
133.10107	13.1
135.08038	5.2
135.11671	4.6
137.09578	2.0
141.06927	3.8
142.07767	2.4
143.08528	12.6
145.06470	2.7
145.10091	17.8
147.08028	2.2
147.11679	8.2
149.09596	3.3
149.13205	5.6
153.07089	0.7
153.09016	1.9
155.08517	6.6
156.09229	1.1
157.10107	11.1
159.08057	3.3
159.11676	12.7
161.09616	1.9
161.13260	3.1
163.11172	3.2
164.08728	0.7
165.07018	0.8
165.12828	0.8
167.08571	3.1
168.09431	1.1
169.10124	8.5
171.08031	2.4
171.11670	8.9
173.09630	2.8
173.11826	1.4
173.13223	7.9
175.11122	1.2
175.14893	1.2
177.12775	1.3
181.10103	4.2
183.11636	7.9
185.09615	1.2
185.13277	5.8
187.11206	1.6
187.14818	3.4
189.11169	4.0
189.12730	1.6
193.10159	1.0
193.12151	1.0
195.11693	4.2
195.13586	1.0
197.13223	5.5
199.11237	2.1
199.13225	1.0
199.14763	4.1
201.12820	1.6
201.16412	1.2
203.14215	1.1
205.10030	0.9
207.11713	1.1
207.13936	0.9
209.13252	3.5
211.14807	2.6
213.16408	1.3
215.17635	1.0
221.13155	1.6
223.14828	2.2
225.16377	1.0
227.12637	5.4
237.16347	1.9
239.17950	0.9
241.15858	1.2
241.19502	1.3
249.16426	1.0
257.19040	2.9
259.20651	2.0
263.18002	1.4
265.19513	1.4
267.16089	1.7
273.18402	1.0
275.17548	1.1
275.20053	10.6
281.19009	0.9
281.22604	0.8
283.20432	2.7
285.18411	1.2
287.19989	1.3
297.22217	1.9
299.20343	1.7
299.23672	9.1
301.21722	1.3
305.90942	0.8
313.21533	1.3
315.23276	1.0
325.21671	1.7
329.21240	1.1
339.23206	1.6
341.24741	1.0
351.22995	1.1
353.24799	1.5
355.26279	1.3
357.24176	1.8
363.22867	0.9
371.25861	0.9
415.29880	2.7
421.25742	2.4
423.32813	1.9
431.28018	1.1
433.30865	8.0
451.31961	13.4
469.33286	7.6
471.31332	1.8
507.34927	2.4
525.35632	29.9
543.36737	100.0
544.36981	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	543.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40630	1.5
51.20245	1.5
53.03948	7.0
55.01862	11.7
55.05502	29.0
56.56707	1.6
56.67569	1.4
57.03419	6.5
57.07061	2.7
65.03914	4.3
67.05495	75.8
69.03402	2.2
69.07059	34.4
70.82803	2.9
71.04977	4.3
79.05479	74.3
81.03395	7.5
81.07043	82.7
83.04957	9.7
83.08602	18.8
85.06523	3.2
91.05466	60.8
93.07030	85.7
95.01306	6.1
95.04959	18.3
95.08588	63.8
97.02866	3.0
97.06517	29.1
97.10143	4.9
99.04440	2.7
99.08075	3.0
103.05394	1.8
105.07012	56.8
107.04953	17.7
107.08574	48.8
109.06495	6.3
109.10138	12.2
111.04411	3.5
111.08060	4.5
113.06004	2.5
116.06231	2.5
117.06989	21.6
119.08556	34.8
121.06477	7.6
121.10117	32.0
123.08054	3.9
123.11695	4.0
125.09544	1.9
129.06984	4.9
131.08542	29.2
133.10110	31.7
135.08080	4.6
135.11671	50.3
137.09586	2.0
139.07538	2.1
139.11108	1.6
142.07811	1.6
143.08574	8.2
143.10645	1.5
145.06439	3.0
145.10094	37.5
147.11639	12.6
149.09625	5.2
149.13240	13.5
151.11157	2.6
155.08519	4.0
157.10112	6.3
159.11673	16.4
161.13237	5.2
163.11162	51.0
165.12720	1.5
169.10054	2.9
171.11662	4.8
173.09607	3.3
173.13251	5.5
175.11197	1.6
175.14729	1.5
177.12729	3.2
179.14265	13.9
181.12163	10.1
183.11687	3.1
185.13243	3.5
187.11220	2.8
188.52104	1.6
195.13760	2.6
197.13220	2.2
209.11760	4.1
219.17502	2.6
227.12733	87.9
229.19406	2.1
243.21085	1.9
247.20583	3.2
257.18994	6.0
261.22137	5.4
269.88507	1.3
271.09848	1.7
275.20032	61.6
293.21017	3.3
317.24646	2.1
349.23660	2.3
371.33316	1.6
433.30984	3.1
451.32050	4.1
469.33224	3.3
525.35583	7.1
543.36737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34066	1.3
53.03920	5.4
53.25351	1.4
54.84336	1.4
55.01853	5.5
55.05502	27.1
57.03413	4.4
57.07056	2.4
65.03922	5.6
67.05492	67.2
69.03407	3.1
69.07055	21.5
69.44015	4.2
69.44429	11.3
71.04973	3.9
79.05479	67.5
81.03406	5.4
81.07040	66.9
83.04972	7.6
83.08604	14.1
84.64279	1.3
85.06508	3.7
91.05463	44.7
93.07025	81.4
95.04942	17.7
95.08591	55.9
95.09135	1.5
97.02858	3.3
97.06509	11.6
97.10149	6.4
98.65104	1.4
99.04438	3.3
99.08057	1.7
101.48515	1.4
105.04497	1.7
105.06329	2.8
105.07016	41.5
107.04953	11.7
107.08578	54.3
109.06528	7.1
109.10135	12.4
111.08069	4.0
116.06210	1.9
117.06998	20.8
119.08553	28.5
121.06477	5.6
121.10125	25.5
123.08025	2.7
123.11656	2.8
125.05979	3.2
125.09597	3.7
128.06149	1.7
129.06969	6.4
130.07764	2.3
131.08543	19.4
133.10112	23.9
135.08025	5.4
135.11664	45.8
135.12646	3.0
137.09592	1.6
139.07521	2.2
143.08578	7.7
145.06416	1.4
145.10092	36.7
147.11688	8.5
149.09584	5.4
149.13268	7.9
153.12737	2.1
155.08575	2.5
157.10066	4.3
159.11639	13.7
161.13252	5.7
162.36369	1.5
163.11151	52.5
169.10144	3.0
171.11644	4.5
173.09619	2.2
173.13235	6.6
175.11237	2.0
175.14748	1.6
177.12642	2.6
179.14360	3.2
181.10153	2.3
181.12210	13.9
183.11702	3.0
185.13162	2.1
187.14787	3.0
189.11101	1.6
197.13283	2.1
209.11703	4.7
219.17419	2.1
227.12740	100.0
247.16829	1.6
257.18967	3.9
261.22116	7.6
275.19968	23.5
299.23624	3.0
317.24680	4.4
397.92123	1.5
397.97388	1.3
433.30850	4.3
444.03061	1.5
451.32129	5.9
469.32858	2.7
525.35852	11.1
543.36694	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03934	4.3
53.99292	0.7
55.01860	3.8
55.05499	16.8
57.03394	2.5
57.07039	1.8
65.03910	1.7
67.05491	42.3
69.03403	1.5
69.07056	10.6
71.04971	3.5
74.49487	0.7
77.03868	1.0
77.82738	0.6
79.05474	52.1
81.03381	2.0
81.07038	38.6
83.04958	3.8
83.08177	0.7
83.08606	9.3
85.06493	1.2
91.05460	22.9
93.07022	63.7
95.04942	11.0
95.08586	50.4
97.02858	4.1
97.06511	4.2
97.10120	1.8
98.20626	1.2
99.04446	3.5
103.05441	1.5
105.04487	1.7
105.06359	0.8
105.07010	16.2
107.04929	8.4
107.08571	37.2
109.06460	2.9
109.10130	7.4
111.04440	1.3
111.08017	1.8
113.05942	0.8
113.09590	1.0
115.05408	0.9
117.06282	1.1
117.07008	12.8
119.08556	15.3
121.06487	5.3
121.09258	1.3
121.10116	22.4
123.08062	0.9
123.11709	1.2
125.05930	2.6
129.06949	0.9
130.07729	1.9
131.08546	6.6
133.10101	9.6
135.07997	2.7
135.11662	50.6
139.07489	1.6
143.08499	1.6
145.08966	1.5
145.10088	29.3
147.11624	3.1
149.13217	3.0
153.12720	1.1
157.10094	0.8
159.11641	3.6
161.09491	0.7
161.13162	1.4
163.11148	56.6
173.13216	2.3
181.12201	13.3
187.14778	0.9
201.01979	0.8
201.16338	0.9
209.11646	1.9
209.17329	0.6
227.12729	100.0
228.13017	1.1
243.20961	1.3
261.22070	6.6
283.15439	1.2
290.12778	0.7
294.89200	0.7
299.23529	0.9
317.24673	1.9
416.23294	0.8
543.36700	54.6
544.37024	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01874	3.2
55.05504	15.2
57.03433	4.1
57.07062	1.5
58.05760	0.6
59.05015	0.8
65.03929	1.7
67.05497	25.9
69.03406	1.9
69.07057	9.2
71.04971	2.3
71.14761	1.5
79.05481	20.1
81.03408	5.1
81.07041	23.6
83.04961	2.9
83.08608	8.0
85.02911	0.7
85.06542	0.9
91.05463	17.6
92.02805	0.6
93.07030	17.1
94.07366	0.7
95.04948	6.8
95.08585	13.0
97.06517	2.6
97.10151	8.4
103.05456	1.0
105.07017	18.1
107.04937	2.8
107.08575	10.7
107.09241	0.9
109.06508	1.5
109.10135	10.2
111.08044	2.3
115.05439	1.9
117.06996	11.4
119.08564	14.2
121.06516	3.3
121.10123	5.3
123.08016	1.6
123.11679	1.9
125.09616	6.5
128.06177	2.9
129.06987	10.1
131.08543	17.7
133.06439	1.4
133.10106	8.4
135.08051	2.5
135.11635	3.3
137.09586	1.4
141.06976	3.0
142.07761	2.3
143.08537	11.0
144.09258	1.0
145.06477	3.2
145.10088	13.6
147.08034	1.6
147.11613	5.6
149.06039	0.6
149.09634	1.9
149.13257	1.5
153.07010	1.0
154.07651	0.7
155.08537	5.7
156.09294	1.2
157.06451	1.3
157.10110	8.8
159.08067	3.2
159.11671	8.8
161.09555	1.6
161.13246	2.7
163.11072	1.4
163.14835	0.8
167.08530	2.4
168.09229	0.7
169.10100	6.8
170.10934	0.9
171.08061	2.4
171.11674	7.4
173.09625	2.3
173.11801	1.5
173.13261	6.4
175.11156	2.2
175.14790	1.0
177.12732	1.1
179.08575	1.0
181.10056	4.5
183.11647	7.4
185.09604	2.8
185.13249	7.3
187.11229	1.8
187.13240	1.2
187.14828	2.8
189.11206	2.7
189.12746	0.9
193.10083	1.0
193.12190	1.1
195.11656	3.2
197.09598	0.9
197.13277	3.5
199.11223	1.9
199.14853	3.3
201.12762	1.5
201.16438	1.7
207.11633	1.6
209.13202	2.6
211.14848	2.1
213.12746	1.3
213.16389	1.0
213.80663	0.8
215.14326	1.0
223.14890	1.4
227.12718	2.7
229.14238	0.9
235.14780	0.8
237.16446	0.8
241.19487	1.0
243.15799	1.2
247.16911	1.3
257.18951	1.0
259.20596	2.5
265.19519	1.6
267.15979	2.9
271.20541	0.7
273.18604	0.9
275.20071	1.8
281.22534	0.9
283.17517	0.8
283.20679	2.6
285.18619	0.8
297.22159	2.3
299.20193	1.0
299.23663	5.6
301.21664	1.2
307.20541	0.7
311.23578	0.8
313.21719	1.4
315.23126	1.7
321.22260	0.9
325.21600	1.5
329.20938	0.9
333.24277	1.2
339.23178	0.9
353.24796	1.4
355.26727	0.8
357.24231	0.9
405.31439	0.9
415.29916	2.3
417.26099	1.0
423.32730	1.3
433.31039	7.5
451.32071	11.1
469.33142	7.1
507.34586	1.5
515.37396	2.0
525.28198	1.3
525.35779	19.5
526.36316	0.9
543.36737	100.0
544.37262	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	543.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80957	0.7
52.17242	0.6
53.03920	1.6
54.33311	0.7
55.01861	3.8
55.05505	17.8
57.03418	4.4
57.07054	1.5
58.38730	1.0
59.04993	1.3
60.54026	0.6
61.38012	0.7
65.03915	1.0
67.05137	1.5
67.05493	25.8
69.03419	2.4
69.07052	8.1
70.39619	0.7
70.93806	1.4
70.94209	1.7
71.04985	2.4
71.12906	0.7
77.03910	0.9
79.05484	19.2
81.03401	5.6
81.07042	22.1
83.04959	2.7
83.08603	8.5
91.05463	19.6
93.07034	17.3
95.04957	5.9
95.08595	13.1
97.06507	2.3
97.10146	8.2
99.08070	1.3
102.57462	0.7
105.07011	17.9
107.04926	3.1
107.08575	11.6
109.06506	2.8
109.10137	9.7
111.08050	1.9
115.05439	1.7
116.06249	1.2
117.06998	11.6
119.07738	1.2
119.08566	13.0
121.06490	2.7
121.10130	6.6
123.08049	1.7
123.11742	1.9
125.09614	5.3
128.06197	3.0
129.06982	9.4
130.07802	1.5
131.04881	0.8
131.08546	18.5
133.10106	10.1
135.08032	2.6
135.11694	3.1
137.09537	1.5
141.06996	2.9
141.73288	0.8
142.07771	2.1
143.08536	11.3
144.09315	1.1
145.06479	3.4
145.10120	13.6
147.07988	2.3
147.11668	6.1
149.09578	1.3
149.13310	1.6
150.81749	0.8
151.11229	0.8
153.06967	1.1
154.07784	1.2
155.08530	6.3
157.06476	1.7
157.10117	9.7
159.08029	3.9
159.11650	9.9
161.09622	1.9
161.13229	2.3
163.11179	0.9
165.06918	0.9
167.07237	0.9
167.08559	3.4
168.09286	1.2
169.10083	7.4
171.08080	1.5
171.11649	9.6
173.09645	1.8
173.13231	4.7
175.11176	1.9
175.14824	1.6
177.12785	0.9
179.08595	1.1
181.10048	3.9
182.10771	1.0
183.11633	5.8
185.09631	1.8
185.13220	6.3
187.11166	1.9
187.14799	2.3
189.11214	2.7
193.10127	1.7
193.12231	1.4
195.11734	3.4
197.09633	0.9
197.13165	5.0
199.11240	1.5
199.14813	3.3
201.12773	0.8
207.11687	2.1
209.13239	3.5
211.10970	0.9
211.14888	1.8
213.12724	1.4
213.16347	1.8
221.13295	1.4
223.14783	2.7
225.16336	1.2
227.12801	2.6
233.13182	1.5
235.14957	1.4
236.34673	0.8
239.17935	0.7
241.19438	1.9
257.19025	1.4
259.20605	3.2
265.19653	1.5
267.15878	2.5
275.20047	1.4
281.22678	0.9
283.20581	1.9
293.66769	0.8
297.22156	2.1
299.20535	1.1
299.23621	5.3
301.21597	1.2
311.20340	1.4
313.21655	1.4
315.23019	1.1
322.53595	0.9
325.21552	1.5
327.23135	1.3
333.24274	1.6
339.23190	2.0
353.24738	0.8
357.24252	1.5
407.83441	0.8
415.29910	2.1
423.32663	2.3
433.30896	6.4
451.31934	10.1
469.32883	4.9
487.34311	1.0
499.34116	1.2
507.34152	1.5
515.37628	1.8
525.35687	17.0
543.36755	100.0
544.37006	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	544.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05880	0.7
55.01864	0.8
55.05488	0.8
56.96544	0.8
63.04196	0.8
64.57460	0.7
67.05479	1.3
69.03399	1.0
69.07074	1.5
70.06561	1.4
71.04965	1.5
71.19424	1.4
79.05471	0.8
81.03397	1.6
81.07024	1.7
83.04961	1.0
83.08596	0.8
85.02879	2.6
91.05470	1.3
93.07045	1.1
94.07375	0.7
95.04952	1.3
95.08573	1.3
98.97596	0.7
105.01828	0.8
105.06995	1.9
107.08561	1.7
107.50354	0.9
112.43607	0.7
119.08551	1.3
121.10136	1.0
122.06021	2.0
128.98570	0.7
133.10081	0.8
135.11592	0.7
145.06427	0.8
145.10048	0.8
159.11617	0.8
161.01096	1.1
164.07053	1.5
174.09201	0.7
203.02307	1.2
240.06651	0.9
253.19528	1.0
286.06958	1.3
290.12704	0.8
294.09222	0.9
294.12619	1.2
294.16010	1.0
304.10776	1.3
304.14407	1.3
306.12155	1.7
315.10889	1.0
316.11139	0.8
318.12360	1.7
320.13785	1.9
322.11920	2.0
322.15533	2.1
324.13513	1.2
330.12326	1.4
332.10535	1.2
332.13846	5.0
334.15411	1.7
336.09802	0.9
336.13339	2.7
342.12491	1.5
344.10220	1.6
345.11227	1.5
346.11859	1.7
348.13458	2.7
350.15030	7.5
356.10025	1.0
356.14236	1.0
358.11758	0.8
358.15680	1.8
360.13351	9.2
361.13898	1.4
362.15018	1.9
364.12833	1.9
366.14389	4.8
370.11667	1.1
372.13535	1.5
374.11215	0.7
374.15106	6.9
375.11661	1.0
376.16541	2.1
378.10260	0.9
378.14450	8.5
380.16061	1.8
384.13354	4.2
386.15085	3.3
388.12878	9.5
390.14447	2.2
392.16092	2.5
393.13165	0.8
396.15570	1.0
402.14426	8.9
402.19263	1.1
404.15988	3.1
406.13959	5.3
412.12839	4.3
414.14520	4.2
416.12494	2.7
420.15686	3.4
424.15039	2.8
430.13943	13.6
432.15656	3.3
434.13354	1.5
438.16681	0.9
439.17505	1.0
448.14874	12.9
449.15149	0.9
450.16321	2.7
458.13715	2.5
466.15723	3.8
467.16772	1.3
476.14484	5.4
484.16843	8.9
490.16959	1.0
494.15503	2.1
502.17938	1.4
508.17062	21.5
526.18121	100.0
527.18671	3.1
544.19122	24.3
544.31879	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.9
55.01846	12.7
55.05491	11.8
57.03426	7.4
57.07065	6.2
61.02907	7.4
67.05476	17.3
69.03419	49.3
69.07058	15.7
70.03712	7.1
70.04064	87.2
71.04962	11.1
71.09895	8.5
73.02885	5.9
73.21650	3.6
73.28661	3.9
79.05467	16.2
81.03399	45.7
81.07043	31.2
83.08574	10.1
85.02892	100.0
85.06516	17.5
87.00816	29.6
91.05442	15.3
93.07036	32.5
95.04933	12.3
95.08591	33.8
97.02871	38.1
99.04434	18.3
105.01849	24.7
105.02411	4.4
105.07005	32.0
107.04905	5.1
107.08574	47.8
109.02837	37.8
109.06476	4.5
109.10135	30.0
113.09589	6.7
115.03872	3.9
117.04104	3.8
117.06992	4.1
119.08541	31.6
121.10113	44.9
123.04430	6.0
123.11665	19.0
125.09605	4.3
127.03887	68.0
131.08517	17.6
133.10107	58.9
135.09537	4.0
135.11662	43.4
137.09572	7.0
139.11145	6.9
143.08502	7.6
145.04904	36.8
145.10091	28.6
147.02869	4.6
147.11649	24.9
149.13228	7.0
151.11137	4.9
155.10632	9.3
157.10153	7.4
159.02849	23.2
159.11667	31.7
161.13235	14.2
163.14801	6.8
171.11658	5.1
173.13200	37.5
175.14812	16.9
177.16394	9.2
185.13214	5.8
187.14783	23.9
201.16255	11.1
203.17865	23.1
205.15878	6.6
213.03790	7.1
231.04973	19.0
243.21062	48.4
261.22098	51.8
267.50766	4.4
282.84192	4.1
315.04816	4.7
351.23224	4.7
383.11426	7.3
473.25613	5.9
491.26410	6.6
534.98993	4.5
544.29547	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01859	1.8
55.05488	0.9
67.05470	1.9
68.99780	8.1
69.03427	1.8
70.06570	4.0
71.67958	1.6
72.08128	2.5
72.79910	0.8
79.05467	3.1
81.03397	2.0
84.08123	1.9
85.02884	2.9
85.78042	0.8
86.06037	0.9
86.09674	1.9
87.31868	0.9
91.05453	6.4
93.03359	0.9
95.01281	1.4
95.04398	1.6
95.04955	19.2
105.06979	1.4
107.04935	100.0
109.02847	1.8
111.00777	4.6
111.04433	1.8
119.04921	56.8
121.02853	8.4
121.06488	1.0
123.04405	56.1
127.03957	1.0
131.04935	2.1
133.02771	0.9
133.06459	3.3
135.04404	3.5
137.02338	1.2
137.07811	0.8
139.03891	7.6
141.06969	1.0
145.02802	1.3
145.06448	3.2
147.04381	36.5
149.02348	7.0
149.05946	2.3
150.03075	1.3
151.03864	12.9
157.06462	3.4
159.04361	2.2
161.05960	4.5
163.03841	7.5
165.05426	3.0
167.03302	1.5
169.06488	1.7
171.04367	1.3
173.02344	2.2
173.05984	1.6
175.03868	4.0
175.07404	0.9
177.05441	2.0
179.03336	5.5
181.06439	1.5
183.04282	1.0
185.04337	1.6
185.05942	4.1
187.03868	3.3
187.07498	1.3
189.01735	1.4
189.05447	2.9
189.07625	1.0
191.03340	3.6
193.04945	2.0
195.08051	1.2
195.78401	0.9
197.06041	1.6
199.07431	1.3
201.05470	2.8
203.01692	1.1
203.03329	5.4
203.07039	3.0
205.04933	2.2
213.05414	5.0
215.03397	2.0
215.06906	6.0
217.04968	1.5
219.02887	9.5
221.04388	1.1
221.07816	6.2
223.07544	1.4
227.06917	2.0
229.04944	3.8
231.06473	45.8
233.04369	2.9
237.05353	1.0
239.06895	3.0
241.04915	4.5
242.05655	5.8
242.07797	1.0
243.06468	8.0
244.03403	1.0
244.07214	8.1
245.04474	7.0
245.08023	3.4
255.06435	13.6
257.04352	4.6
257.08084	2.2
261.03876	11.3
267.06424	5.0
269.04370	3.2
269.08020	1.3
271.05930	3.4
272.06738	1.3
273.04443	1.6
273.07465	14.3
275.05283	1.0
279.06522	4.5
281.04703	1.2
283.05792	1.2
285.03915	2.8
285.07507	8.3
287.05453	13.6
295.05881	1.4
295.11325	1.2
297.07465	5.4
299.05399	8.7
303.04996	4.7
303.08273	1.0
307.05765	1.1
311.05130	1.0
313.07184	1.9
325.07010	1.2
327.04535	1.3
339.08231	1.4
349.10629	3.8
363.08594	19.4
373.10757	1.9
377.10080	6.9
379.08124	1.3
381.09561	2.7
383.13052	10.0
389.04877	1.0
391.07913	14.5
391.11972	1.3
393.09622	7.7
401.10095	4.6
405.09497	4.1
407.06049	1.7
409.04333	1.0
409.09155	10.8
419.11224	3.4
421.09033	3.9
425.07077	3.8
433.09012	2.2
439.10367	1.7
459.13403	1.6
461.06119	1.0
469.11243	1.6
527.25806	1.5
545.18878	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	545.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01857	5.5
55.05504	11.7
55.21653	1.4
57.03425	7.2
57.07077	3.3
61.02908	3.5
67.05498	15.8
68.99769	2.9
69.03416	25.9
69.07060	29.7
70.06570	2.1
71.04977	11.3
71.69186	1.5
73.02920	5.0
73.06533	1.4
79.05486	9.6
81.03405	17.9
81.07050	23.5
83.04977	5.3
83.08612	7.0
85.02895	41.9
85.06553	1.9
87.00819	11.2
87.04469	1.5
91.05459	10.6
93.07021	17.6
95.04972	6.5
95.08593	17.7
97.02863	14.8
97.06537	6.0
97.10169	2.7
99.04453	8.9
99.08046	1.9
103.03918	2.0
105.01853	9.6
105.07047	13.7
107.04949	5.6
107.08575	24.4
109.02856	15.8
109.06495	7.0
109.10144	34.2
111.08070	4.3
112.94921	1.6
113.05989	1.7
117.06953	2.9
119.04933	2.7
119.08581	8.2
121.06519	4.7
121.10082	7.5
123.04450	1.7
123.08097	4.5
123.11699	6.6
125.09630	6.1
127.03894	29.4
127.11179	1.9
129.01779	2.6
129.06960	2.1
131.08542	5.1
133.06491	3.2
133.10120	7.1
135.08049	4.4
135.11673	13.5
137.09586	4.2
137.13266	2.2
139.03914	2.4
143.08559	3.7
145.04939	9.4
145.06569	2.5
145.10139	9.7
147.11679	5.4
149.09586	15.7
149.13194	1.9
150.10423	2.8
151.03909	1.9
151.11183	3.5
153.12692	15.7
157.10149	4.5
159.02863	7.8
159.08092	1.8
159.11674	5.9
161.09662	2.3
161.13261	4.2
163.07507	2.0
163.11128	12.4
169.10138	1.9
171.13777	2.3
173.13283	2.3
175.11183	1.8
175.14890	2.3
181.12047	1.9
185.09622	2.2
188.11479	1.6
189.16446	1.8
191.14278	2.5
193.15862	1.8
197.13246	2.2
200.12793	2.0
205.12173	2.4
217.08600	3.9
231.04948	4.2
261.22113	36.6
271.20667	1.7
279.23160	100.0
280.23492	2.8
297.24280	7.1
301.07333	2.0
303.23230	3.4
315.05289	8.6
321.24078	2.3
441.28180	4.7
483.29483	5.6
499.16110	2.1
527.28406	25.5
545.32910	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98034	1.5
53.03927	5.8
55.01867	3.7
55.05499	35.8
57.03430	10.2
57.07056	2.3
61.86356	1.6
63.56731	1.6
65.03923	5.8
67.05492	78.4
69.03409	5.8
69.07063	20.5
71.04972	7.6
74.17389	1.5
79.05480	72.1
81.03401	41.5
81.03880	2.6
81.07043	69.8
83.04960	11.9
83.08610	26.9
85.02892	21.0
85.06521	3.7
91.05469	58.1
91.06042	3.3
93.07030	62.2
95.04951	27.1
95.07999	3.2
95.08588	46.9
97.02859	2.3
97.06490	9.1
97.10168	9.0
103.05402	1.8
105.07011	47.6
107.04955	6.2
107.08575	30.9
109.06494	6.1
109.10140	17.3
111.04376	2.0
111.08057	11.8
113.05978	1.9
115.05435	2.7
117.06998	10.8
119.08556	34.9
121.06499	4.5
121.10128	29.6
123.08060	5.6
123.11687	5.7
125.09615	7.0
129.06992	10.4
131.08548	24.5
133.06503	2.9
133.10110	25.1
135.08031	2.1
135.11673	16.6
137.09630	3.8
137.13190	2.3
141.07036	2.0
142.07735	3.5
143.08549	5.0
145.10091	15.7
145.23184	1.6
147.08026	4.6
147.11656	17.6
149.09621	7.0
149.13301	8.3
155.08562	1.9
157.10103	15.5
159.11668	10.2
161.09637	1.8
161.13248	7.4
163.11206	2.5
163.14790	3.0
165.12744	4.4
169.10158	2.8
171.11684	5.3
173.13208	6.5
175.11165	9.1
175.14792	2.5
177.12662	1.6
179.14230	2.0
183.11720	2.7
185.13260	4.4
187.14786	5.0
189.11189	2.5
193.12204	45.2
195.11668	1.9
201.16309	2.1
211.13246	44.3
211.15117	3.1
227.12759	4.5
259.16623	1.6
259.20465	3.5
261.22101	9.7
267.15909	9.3
269.17468	1.9
275.20105	5.8
289.21518	2.4
301.25174	7.6
317.24368	2.0
334.93118	1.9
335.25781	7.2
435.32593	7.3
444.43802	1.8
453.33624	5.1
471.34555	6.1
509.36328	2.7
527.37256	29.8
545.38251	100.0
546.38092	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01851	3.8
55.05503	28.3
57.03428	9.3
57.07048	3.1
63.70997	1.0
65.03928	2.3
65.50164	1.1
67.05493	56.1
69.03402	3.5
69.07059	17.5
70.80518	3.9
71.04961	3.7
79.05479	39.8
81.03403	22.5
81.07043	53.9
83.04961	5.0
83.08603	19.2
85.02886	2.8
85.06499	2.0
91.04919	2.4
91.05462	34.4
93.07028	39.3
95.04958	17.7
95.08002	2.5
95.08589	36.0
96.09040	1.3
97.06512	5.1
97.10149	16.1
99.08097	2.6
100.85512	1.2
105.07010	30.3
105.17793	1.1
107.04941	3.8
107.08576	23.8
109.06485	5.7
109.10141	22.8
111.08060	5.7
115.05442	1.3
117.07005	16.4
119.08563	25.9
121.06477	7.1
121.10123	19.3
123.08054	3.4
123.11711	8.6
123.21227	1.2
125.09600	13.7
129.07002	8.5
131.08539	23.2
133.06477	2.3
133.10103	17.6
135.08069	5.4
135.11649	13.2
137.09560	2.9
137.13255	3.2
142.07755	2.2
143.08531	7.5
145.10104	16.9
147.08026	2.8
147.11676	13.6
149.09642	3.9
149.13213	7.4
151.11185	1.4
153.08975	1.3
155.08536	3.4
157.10085	9.9
159.08026	2.2
159.11682	13.3
161.09625	1.9
161.13185	9.2
163.11093	2.2
163.14807	3.0
165.12724	1.7
169.10101	4.0
171.11656	6.9
173.13213	10.2
175.11195	4.9
175.14784	5.7
183.11697	4.4
185.13268	6.2
187.11235	2.3
187.13219	1.8
187.14801	4.5
189.11208	7.3
189.12656	1.3
189.16391	1.6
193.12204	17.0
195.11771	1.5
197.13252	3.7
197.15231	1.2
199.14822	3.6
201.16309	1.2
205.12323	1.3
209.45720	1.2
211.13159	9.9
211.14972	1.2
215.17964	1.3
225.16400	1.7
227.12711	8.8
241.19548	2.3
243.21205	3.1
247.17004	1.6
249.18472	1.4
259.20459	6.0
261.22137	9.6
267.15857	18.5
269.17480	3.5
275.20084	3.2
277.21652	1.1
279.23108	2.0
285.22134	4.3
287.19998	2.3
287.65701	1.2
299.23755	1.9
301.25198	18.5
303.23111	2.2
313.21536	1.9
315.22919	1.3
317.24829	2.0
327.23315	1.8
329.21289	1.5
333.24222	4.1
335.25867	13.5
355.26398	2.0
359.25574	1.8
369.27765	1.4
403.24557	1.5
417.31647	2.9
421.25790	4.2
435.27325	1.8
435.32733	9.1
453.33658	11.9
471.34692	10.1
509.36270	1.8
510.33484	1.2
517.38751	1.4
527.37201	58.8
528.37903	3.4
545.38287	100.0
546.38654	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
55.01853	3.5
55.05503	33.1
57.03420	12.0
57.07068	1.6
57.36010	1.5
63.76889	1.5
65.03919	3.0
67.05491	64.5
69.03423	4.6
69.07060	19.5
71.04976	6.7
79.05479	62.7
81.03401	42.1
81.07041	68.8
83.04969	9.9
83.08604	24.9
85.02898	19.5
85.06521	2.6
87.04446	1.7
91.05461	48.5
93.06422	3.5
93.07025	60.3
95.04946	25.1
95.05512	2.1
95.08589	39.4
97.02875	2.3
97.06522	7.7
97.10163	10.9
98.68049	1.7
99.08085	2.2
105.07012	41.9
107.04962	4.9
107.07899	3.2
107.08575	30.9
109.06514	8.1
109.10128	17.1
111.08066	10.7
113.05966	1.9
115.05461	2.0
117.07001	11.3
119.08556	28.6
121.06477	3.2
121.10120	26.0
123.08017	4.0
123.11696	6.4
125.09617	7.7
129.06992	11.4
131.08545	23.7
133.10091	20.6
135.11673	17.0
142.07779	3.3
143.08537	5.0
145.10109	16.2
147.08025	2.6
147.11662	16.0
149.09633	6.8
149.13245	7.2
151.11098	2.2
157.10109	13.4
159.11653	8.5
161.13240	5.5
163.14867	2.1
165.12700	3.3
169.10149	2.7
171.11678	5.3
173.13274	5.7
175.11137	8.8
175.14868	2.4
183.11717	3.8
185.13307	4.4
187.14821	4.8
189.11241	4.8
193.12207	40.0
195.11739	1.9
197.13197	2.4
199.14899	1.8
211.13235	38.2
215.14226	1.8
227.12784	6.0
229.76724	2.0
232.59875	1.6
235.93861	1.9
249.18515	1.7
259.20685	2.3
261.22171	8.5
267.15857	8.0
273.22015	1.8
276.17429	1.7
285.22153	3.6
299.23752	1.8
301.25287	4.5
303.23203	2.5
335.25821	5.9
357.55960	1.6
359.25613	3.1
435.32404	5.8
453.33713	6.7
471.34927	5.1
527.37207	27.0
545.38293	100.0
546.38391	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	545.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.2
55.01847	3.8
55.05503	24.4
57.03423	9.9
57.07059	2.6
65.03921	1.7
66.84441	1.7
67.05138	3.3
67.05492	53.2
69.07056	17.0
71.04972	3.9
79.05485	32.8
81.03401	12.2
81.07043	55.7
83.04957	3.7
83.08601	14.2
85.06490	2.2
89.92524	1.6
91.04922	2.5
91.05467	32.7
93.07025	32.7
95.04960	14.0
95.08590	33.4
95.41296	1.7
97.06509	5.1
97.10161	11.5
105.07008	27.8
107.04903	2.8
107.08576	22.3
109.06508	5.1
109.10131	19.2
111.08064	3.9
115.05434	1.8
116.06261	2.0
117.06991	12.3
119.08562	29.9
121.06479	4.2
121.10131	23.8
123.08049	2.6
123.11694	6.4
125.09614	8.5
129.06995	11.1
130.72015	1.7
131.08540	24.1
133.06523	2.4
133.10112	25.3
135.08037	3.7
135.11670	13.7
137.09599	2.0
141.06958	3.5
141.09230	1.7
143.08513	11.5
145.10103	26.5
147.07986	2.7
147.11687	17.3
149.09605	3.2
149.13217	13.8
155.08546	5.6
157.10120	13.9
159.11656	22.8
161.09583	2.0
161.13223	9.1
162.69893	1.5
163.14853	2.3
169.10092	8.6
171.11687	14.2
173.13225	16.4
175.11227	4.3
175.14816	5.7
177.12724	3.7
183.11678	9.6
185.13237	8.7
187.14851	6.0
189.11200	7.0
189.12689	1.9
189.16377	1.9
193.12257	4.7
195.11694	3.5
195.13753	3.2
197.13168	8.7
199.14795	7.8
201.16385	2.0
207.11723	2.1
209.13260	2.6
211.14894	2.5
213.16418	5.2
227.12799	7.5
227.17924	2.7
241.19508	7.8
247.16867	2.1
259.20572	17.2
261.22116	8.2
267.15857	16.1
269.17355	12.0
275.20126	2.8
285.22095	2.7
297.22183	3.0
299.23550	2.8
301.25192	12.1
315.23383	3.4
317.24997	2.2
327.23019	3.6
329.24744	2.1
333.24237	7.3
335.25845	8.3
341.24673	2.5
353.24585	2.6
359.25909	2.5
367.26245	2.3
407.33075	3.7
417.31390	6.1
421.25592	2.0
423.32385	3.9
425.34058	7.7
435.27219	2.7
435.32520	21.4
453.33417	21.8
471.34833	14.7
499.37552	4.5
509.35986	6.6
515.36920	3.4
517.38715	25.0
527.37280	100.0
528.37543	5.3
545.38226	88.5
546.39020	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.2
55.01853	5.5
55.05504	30.2
57.03430	12.3
57.07061	2.0
60.21865	1.3
64.70070	2.1
65.03921	5.4
66.04719	1.6
67.05495	75.9
67.81271	1.3
69.03411	4.5
69.07062	18.9
70.22666	7.4
71.04994	7.2
76.50205	1.6
79.05482	72.8
81.02938	3.1
81.03410	54.8
81.07043	70.8
83.04970	11.5
83.08607	24.8
85.02894	26.6
85.06519	3.3
91.05463	58.4
93.07030	71.7
95.04955	30.8
95.08591	43.9
97.02885	2.8
97.06511	5.9
97.10163	9.6
98.20713	1.5
99.08060	4.3
105.04497	2.7
105.06329	2.7
105.07018	39.6
107.04911	3.5
107.08584	31.5
109.06499	5.8
109.10139	17.2
111.04459	3.2
111.08067	12.9
113.05972	2.5
115.05434	1.8
117.06985	11.4
119.08562	35.1
121.06497	4.3
121.10134	29.0
123.08078	3.5
123.11685	6.5
125.09612	6.5
129.06975	10.4
131.08556	24.1
133.06468	2.5
133.10109	19.1
134.62024	1.5
135.08034	2.0
135.11679	13.2
137.09599	2.1
140.48361	1.5
141.07002	1.5
142.07796	2.6
143.08580	4.6
145.10089	10.9
147.08032	4.3
147.11652	19.7
149.09627	7.3
149.13243	5.5
151.11140	2.0
155.08620	1.7
157.10109	18.1
159.11679	10.6
161.13239	6.4
163.14767	2.3
165.12773	3.8
169.10027	3.6
171.11656	3.0
173.13257	5.5
175.11139	12.3
175.14745	1.8
185.13219	2.3
187.14812	4.2
189.11192	3.4
193.12210	47.8
211.13257	47.6
211.15120	2.8
227.12746	3.4
243.21159	2.5
261.22125	7.4
267.15775	7.4
271.73135	1.4
285.17047	1.8
285.22061	1.5
299.23624	1.6
301.25278	5.1
317.24728	2.3
335.25745	3.3
354.36105	1.5
359.25919	2.0
417.31528	1.8
435.32870	5.1
453.33734	5.5
471.34531	1.9
489.80652	1.7
527.37146	18.6
545.38324	100.0
546.38708	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01855	6.3
55.05506	33.5
57.03437	8.8
57.07057	4.0
57.90723	1.4
65.03944	3.3
67.05497	68.2
69.03399	3.2
69.07059	18.7
69.95963	1.5
70.11052	3.4
70.11474	4.7
70.58454	1.5
71.04987	5.8
72.66894	1.3
79.05483	43.0
81.03406	21.2
81.07047	55.2
83.04967	6.6
83.08607	21.0
85.02843	1.6
85.06527	4.1
88.69984	1.3
90.93942	1.4
91.05471	34.0
93.07027	39.6
95.04955	23.5
95.08598	42.2
97.06514	6.4
97.10162	23.9
98.20772	2.0
105.07011	33.6
107.04937	6.0
107.08578	24.2
109.06523	7.2
109.10149	26.1
111.08065	6.3
112.34909	1.4
115.05441	2.3
117.06991	11.6
119.04965	1.4
119.08565	28.4
120.16506	1.5
121.06501	9.4
121.10115	17.4
123.08076	5.1
123.11683	9.1
125.09630	17.1
128.06223	1.8
129.07008	9.0
131.08543	22.5
133.06465	2.4
133.10107	23.3
135.08049	9.3
135.11671	13.6
137.09579	4.3
137.13235	2.8
141.06941	3.2
142.07632	1.4
143.08545	8.7
145.06458	3.5
145.10095	18.8
147.08067	3.5
147.11623	12.8
149.09605	4.8
149.13249	7.8
153.09119	2.9
155.08554	3.2
157.10121	10.1
159.11676	14.2
159.17064	1.5
161.09639	3.6
161.13261	8.1
163.11197	4.2
163.14844	2.8
169.10092	4.0
171.08034	1.6
171.11618	6.7
173.09596	2.2
173.11801	2.5
173.13202	12.5
175.11188	5.9
175.14825	3.4
183.11687	3.9
185.13300	5.2
187.11211	2.3
187.14783	5.8
189.11263	10.8
193.12164	7.6
195.11620	2.2
197.09680	1.5
197.13304	4.2
199.14859	4.7
201.16385	2.8
209.13246	1.8
211.13155	3.0
213.16505	3.5
219.13742	1.7
224.16316	1.4
225.16470	1.5
227.12697	12.3
231.17430	1.7
233.15260	2.4
243.21086	2.5
247.16916	3.0
249.14899	2.8
253.17886	1.4
261.19443	1.9
261.22134	15.8
263.20001	1.6
267.15903	24.9
267.18695	0.9
273.18674	1.9
273.22095	2.2
275.20187	2.2
279.19836	1.6
279.23227	2.0
283.20432	1.5
283.24203	1.9
285.22214	3.4
287.20175	1.7
299.23584	1.8
301.25180	24.8
303.23264	3.6
317.24591	3.5
335.25793	16.1
341.24866	1.9
357.27847	1.6
359.25784	4.1
383.26126	1.8
389.57294	1.5
421.25714	4.7
435.27481	2.3
435.32224	9.0
453.33655	17.9
471.34695	14.7
509.36224	3.8
527.37292	63.8
528.38177	2.2
545.38312	100.0
546.38605	4.4
561.48218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
55.01855	5.2
55.05503	31.4
55.86098	1.4
57.03415	8.7
57.07053	3.4
60.22866	1.4
65.03933	2.8
67.05494	50.9
69.03418	4.7
69.07052	14.7
71.04985	4.7
79.05484	31.8
80.71197	1.4
81.03397	21.7
81.07041	53.8
83.04976	5.0
83.08607	15.1
85.06523	2.7
91.05463	28.7
93.07034	31.9
95.04939	16.0
95.08592	40.3
97.06522	6.3
97.10144	17.0
98.21218	7.1
99.08099	2.4
104.98724	1.5
105.07015	29.4
107.04943	6.9
107.08574	22.3
109.06513	5.5
109.10146	21.0
111.08085	4.8
115.05464	2.5
117.06992	12.3
119.08562	25.7
121.06509	7.3
121.10157	13.8
123.08060	4.7
123.11718	7.3
125.09634	17.2
129.07005	8.8
131.08536	22.5
133.06400	2.8
133.10114	17.1
135.08049	5.8
135.11671	11.6
137.09601	2.0
143.08551	8.5
145.06445	1.5
145.10095	13.5
147.08057	5.1
147.11665	11.9
149.09616	5.1
149.13255	5.3
151.11247	2.1
153.09039	2.0
155.08580	5.0
157.10103	9.0
159.08028	3.0
159.11679	13.8
161.09616	2.3
161.13231	7.0
163.11108	3.6
163.14874	2.8
166.80179	1.7
169.10094	3.6
171.11678	4.7
173.13232	8.5
175.11162	3.8
175.14876	4.8
177.12758	2.3
177.16402	1.7
183.11693	3.2
185.13249	3.5
187.11206	2.3
187.14827	5.3
189.11183	11.1
189.16417	2.5
193.12259	7.9
197.13297	3.3
199.14789	2.1
201.16408	2.9
205.16028	1.7
211.14911	1.7
213.16547	1.5
227.12729	14.2
231.17595	1.8
247.16884	3.3
249.14798	1.6
261.22168	9.9
267.15881	20.9
285.22040	3.5
287.20090	1.8
299.23651	3.2
301.21924	2.0
301.25183	17.2
303.23169	2.4
305.64075	1.5
317.24655	3.6
335.25839	16.2
357.27747	2.3
359.25812	2.5
401.27075	1.7
417.31320	2.3
421.25873	5.2
435.27280	2.7
435.32529	7.2
453.33585	14.5
471.34595	9.4
509.35892	1.8
527.37219	56.1
528.37170	2.9
545.38287	100.0
546.38708	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
54.93006	1.4
55.01860	9.0
55.05502	48.0
57.02247	1.8
57.03425	13.4
57.07057	3.9
59.04972	2.0
62.14920	1.6
65.03915	4.9
66.45448	1.6
67.05492	83.2
69.03405	4.6
69.07060	22.2
70.00787	11.3
71.04966	4.7
79.05477	48.6
80.02215	1.6
81.03403	24.4
81.07042	74.7
82.07388	2.0
83.04964	7.0
83.08599	26.8
91.05464	40.3
93.07027	44.4
95.04954	23.6
95.08000	3.0
95.08588	49.5
97.06523	8.0
97.10150	27.7
98.71481	1.8
99.08054	2.1
103.05466	2.1
105.07011	40.0
105.11137	1.7
107.04935	7.6
107.07905	2.8
107.08578	35.9
109.06502	8.1
109.10136	27.7
111.08053	6.9
115.05445	2.5
117.07002	18.5
119.08557	34.7
121.06492	7.9
121.10131	25.1
123.08044	7.0
123.11671	11.0
125.09608	19.6
129.06949	9.8
131.08542	26.4
133.06491	2.3
133.10104	25.1
135.08012	6.5
135.11665	11.9
137.09572	3.4
142.07758	3.6
143.08568	10.4
145.10107	18.1
147.08063	5.2
147.11658	21.0
149.09602	6.7
149.13210	5.3
151.11137	2.2
155.08542	5.0
157.10057	10.4
159.08040	5.0
159.11636	15.3
161.09662	3.3
161.13211	10.4
163.11182	5.5
163.14813	4.2
169.10123	5.9
171.10194	2.2
171.11664	7.6
173.09616	3.0
173.13225	11.9
175.11177	5.2
175.14769	5.0
177.12730	3.5
181.10066	3.1
183.11702	4.0
185.13203	5.2
187.11023	2.4
187.13257	1.8
187.14778	6.8
189.11165	10.5
189.12718	2.9
191.14386	2.6
193.12148	8.8
197.13199	4.6
199.14761	3.0
200.14671	2.1
201.12759	2.4
201.16382	3.2
209.13254	3.1
211.14972	2.3
215.14433	2.0
219.13860	1.9
227.12660	12.9
233.15324	2.6
243.21060	3.5
247.16769	2.1
261.22159	17.1
267.15915	21.5
267.21011	1.6
275.19910	2.4
279.19690	2.0
279.23096	2.1
281.21176	2.1
285.22095	6.0
287.20129	2.2
299.23737	3.3
301.25153	25.5
303.23187	2.7
311.23523	1.8
317.24695	3.6
327.23233	1.7
329.21188	1.8
335.25748	16.3
336.25098	2.2
343.22891	2.5
359.25754	2.2
403.24368	1.9
417.31808	2.2
421.25909	3.6
435.27310	3.1
435.32654	10.7
453.33612	15.2
471.34747	12.6
509.36389	3.3
527.37213	58.6
528.37970	2.7
545.38275	100.0
546.38647	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	546.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10200	0.4
55.05501	1.4
67.05476	1.0
69.03411	0.9
69.07049	1.3
70.06567	0.6
70.07148	0.8
70.07556	2.0
79.05466	2.1
81.07037	1.1
82.32729	0.5
83.04967	2.5
85.02872	1.7
85.06514	1.5
91.05463	1.7
93.07030	1.1
95.04942	1.5
95.08572	0.7
97.02880	0.6
97.06516	38.2
98.20720	0.6
99.08074	2.9
105.07001	2.2
107.04935	1.2
107.08580	1.5
109.10083	0.5
111.08039	1.0
117.06990	2.1
119.04906	0.5
119.08562	1.9
123.04412	0.7
123.08053	1.1
125.05954	1.1
125.09593	3.0
129.06963	1.0
131.08572	2.5
133.06491	0.8
133.10124	3.3
135.04350	1.1
136.07552	1.3
137.06015	0.6
142.07729	0.7
143.08539	5.5
145.10100	3.5
147.08014	0.8
151.11153	0.9
155.08531	2.6
157.10097	2.7
159.08032	3.5
159.11684	1.4
161.09605	4.0
163.03873	2.7
163.07477	0.7
163.11064	0.7
167.08461	0.7
169.10150	2.3
171.11676	0.8
173.09624	0.7
175.07439	0.4
175.11195	0.6
177.09068	2.0
181.10089	0.7
183.08070	1.5
183.11671	1.5
185.09610	0.7
185.13216	0.9
187.07559	0.7
193.10017	0.7
195.11707	1.5
197.09518	0.6
197.13272	1.4
199.14803	1.0
201.08995	0.6
203.10672	0.5
205.08585	0.5
207.10193	1.4
209.13147	1.1
211.14832	3.5
213.12604	0.6
213.16167	0.8
215.10612	0.5
221.13248	1.7
227.14320	0.5
229.08632	0.8
229.15816	0.9
239.14272	3.0
241.12126	0.7
241.15790	1.7
243.13789	0.7
245.15375	0.9
257.15341	4.5
267.13770	1.0
273.14850	3.5
275.16373	11.2
285.14807	6.3
291.15860	6.0
293.17581	0.5
303.15866	29.1
321.16910	100.0
322.17395	2.4
331.15335	5.7
349.16406	36.6
350.16574	0.6
367.17517	7.8
375.12155	0.6
546.25104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05500	6.8
57.03432	3.8
57.07067	1.8
62.06068	1.0
65.03944	1.0
67.05493	10.0
68.05847	0.7
69.03428	0.8
69.07059	9.3
69.96998	3.4
69.97414	1.5
71.04971	1.6
71.08613	4.7
72.86430	0.8
79.05489	6.0
81.03414	0.8
81.07046	14.6
81.07493	1.5
83.04978	1.8
83.08599	4.9
85.02859	1.0
85.06524	1.9
91.05456	6.5
93.07023	10.4
93.13995	0.7
95.04970	1.8
95.08591	9.3
97.06525	2.3
97.10152	2.5
98.98443	3.9
99.08080	3.1
105.07025	8.9
107.08571	9.8
109.06490	7.9
109.10130	5.7
111.08033	1.3
117.06994	1.8
119.08562	10.6
121.10130	5.4
123.08046	15.5
123.11693	1.7
125.09617	2.2
131.08539	4.0
133.10115	9.7
134.10535	0.9
135.08055	7.9
135.11655	2.5
137.09569	2.0
140.55623	0.8
145.10112	4.2
147.11664	6.0
149.09612	2.4
149.13261	2.5
151.11157	1.0
155.08504	0.9
157.10144	1.6
159.11694	3.2
161.09651	1.5
161.13219	2.0
167.14272	0.9
171.11676	1.1
173.13217	2.0
175.14801	6.9
177.12750	3.5
177.16365	1.0
179.14276	22.0
191.14241	0.9
193.12207	0.9
193.15889	1.5
198.05264	0.9
203.17821	0.7
205.15851	3.4
216.06415	1.1
227.74751	0.8
231.15916	1.0
271.20767	1.1
275.20111	1.0
289.21640	7.3
293.21011	2.8
303.26831	1.2
313.25189	1.0
319.22467	1.8
331.26221	14.1
337.24075	0.9
347.25613	1.1
349.23712	1.2
349.27396	7.2
357.27859	1.3
361.27255	1.7
369.27554	1.1
374.30554	2.2
375.28961	2.7
387.28888	6.2
405.29941	100.0
406.30261	2.3
446.14850	0.8
475.04880	0.7
485.26498	1.9
503.27567	5.3
546.37939	2.5
567.84662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.4
57.03415	3.4
57.07052	2.2
58.92554	1.4
62.06065	1.5
67.05498	18.0
69.07052	8.4
71.05000	2.1
71.08611	5.2
71.70314	1.4
79.05478	14.5
80.05813	1.4
81.03382	1.9
81.07040	22.4
82.07347	2.3
83.04972	1.7
83.08582	5.5
85.06505	1.9
91.05464	12.6
93.07030	14.0
94.07357	2.5
95.04934	2.8
95.08595	16.4
96.08897	1.8
97.06496	3.3
97.10105	2.6
97.74554	1.4
98.98433	3.3
99.08089	2.1
105.07020	13.0
106.07334	2.2
107.08558	9.8
108.08901	1.7
109.06493	6.5
109.10126	6.5
111.08048	1.9
116.67875	1.7
117.07020	2.2
119.08553	12.5
121.10142	8.3
123.08046	13.4
123.11706	2.7
123.88467	1.6
125.09645	1.7
131.08531	6.8
133.10106	10.0
134.10448	2.5
135.08009	8.2
135.11665	3.4
137.09570	2.8
143.08539	2.8
145.10123	8.2
147.11719	8.2
149.09576	3.5
149.13203	3.1
157.10104	3.0
159.11668	4.2
161.13229	3.8
167.46280	1.8
171.11598	1.6
173.13263	1.5
175.14789	7.2
177.12726	2.5
179.14264	23.2
186.13538	1.6
191.14209	1.7
193.12152	1.7
193.15846	1.6
205.15804	4.7
215.17998	1.5
245.65714	1.7
260.20761	1.6
260.33340	1.4
289.21545	6.4
293.21143	2.6
313.99231	1.5
331.26324	11.4
337.23581	2.4
347.25583	1.6
349.27347	6.2
374.30527	2.1
375.28653	1.8
387.28900	5.1
405.29922	100.0
406.30344	2.7
407.16132	1.6
454.33749	1.8
479.49799	1.5
503.27396	4.4
528.37408	10.9
546.38495	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09705	11.2
55.05495	24.3
67.05486	28.3
69.07065	17.1
70.06574	22.8
71.70039	17.7
72.35615	12.5
79.05462	19.7
81.07059	29.5
85.02905	13.3
91.05440	23.3
93.07016	16.8
95.04939	18.1
95.08624	20.8
105.06979	19.1
107.08537	15.9
109.10112	13.5
109.50774	12.0
117.07005	14.0
119.08530	22.0
228.96037	14.7
275.19995	37.8
349.23746	100.0
408.63397	14.1
500.18130	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	2.3
55.01834	1.3
55.05501	4.9
56.05001	0.8
57.03427	3.1
57.07039	0.7
59.40629	0.6
61.02903	2.9
67.05489	5.2
68.04978	0.8
69.03416	16.3
69.07049	5.1
70.06577	6.6
70.30016	3.0
71.04955	1.5
73.02902	3.4
79.05486	4.0
81.03400	10.9
81.05746	0.7
81.07030	5.3
82.06515	2.2
83.04948	0.8
84.08090	2.1
85.02888	22.9
86.09634	1.1
87.04457	1.4
91.05416	2.5
93.07027	4.3
94.06545	3.9
95.04946	1.3
95.08570	2.8
96.08118	6.7
97.02317	0.7
97.02876	8.2
97.06484	0.9
98.09644	1.1
98.20795	0.9
98.64050	0.6
99.03899	0.5
99.04429	4.7
101.02312	1.4
103.03936	3.2
105.06980	2.0
107.04881	1.3
107.07285	0.8
107.08533	2.6
108.08115	3.2
109.02188	0.8
109.02861	11.4
109.08823	1.4
109.10093	1.7
110.09697	3.1
110.10317	0.7
111.04350	0.6
119.08526	1.7
121.06496	0.9
121.10060	1.1
122.09667	3.7
123.04401	0.9
123.10404	0.8
123.11668	1.1
124.07510	0.6
124.11182	0.7
127.03889	13.1
127.09898	3.8
133.10086	1.4
135.11615	1.0
137.05872	0.7
140.10670	6.3
144.07881	0.7
145.04901	2.6
145.10123	0.7
147.04309	1.5
147.11650	1.1
151.03882	0.8
159.11699	0.8
162.05452	1.2
163.03836	0.6
163.07312	0.7
167.19872	0.5
184.22437	0.6
187.05963	2.5
193.04842	0.7
217.08522	0.6
219.10088	0.7
220.20506	1.2
238.21544	1.4
252.23091	0.8
260.23718	1.4
262.25269	12.0
277.56683	0.6
278.24734	1.1
280.26300	40.1
298.07062	1.0
298.27362	81.7
308.25757	1.8
322.27332	2.1
326.26953	2.6
340.28421	11.4
369.13275	1.1
370.29700	0.8
385.28357	0.6
460.32507	2.3
484.32690	1.3
502.33679	57.2
503.34018	2.4
528.19537	1.0
546.32703	100.0
547.33905	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	546.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	2.3
55.01834	1.3
55.05501	4.9
56.05001	0.8
57.03427	3.1
57.07039	0.7
59.40629	0.6
61.02903	2.9
67.05489	5.2
68.04978	0.8
69.03416	16.3
69.07049	5.1
70.06577	6.6
70.30016	3.0
71.04955	1.5
73.02902	3.4
79.05486	4.0
81.03400	10.9
81.05746	0.7
81.07030	5.3
82.06515	2.2
83.04948	0.8
84.08090	2.1
85.02888	22.9
86.09634	1.1
87.04457	1.4
91.05416	2.5
93.07027	4.3
94.06545	3.9
95.04946	1.3
95.08570	2.8
96.08118	6.7
97.02317	0.7
97.02876	8.2
97.06484	0.9
98.09644	1.1
98.20795	0.9
98.64050	0.6
99.03899	0.5
99.04429	4.7
101.02312	1.4
103.03936	3.2
105.06980	2.0
107.04881	1.3
107.07285	0.8
107.08533	2.6
108.08115	3.2
109.02188	0.8
109.02861	11.4
109.08823	1.4
109.10093	1.7
110.09697	3.1
110.10317	0.7
111.04350	0.6
119.08526	1.7
121.06496	0.9
121.10060	1.1
122.09667	3.7
123.04401	0.9
123.10404	0.8
123.11668	1.1
124.07510	0.6
124.11182	0.7
127.03889	13.1
127.09898	3.8
133.10086	1.4
135.11615	1.0
137.05872	0.7
140.10670	6.3
144.07881	0.7
145.04901	2.6
145.10123	0.7
147.04309	1.5
147.11650	1.1
151.03882	0.8
159.11699	0.8
162.05452	1.2
163.03836	0.6
163.07312	0.7
167.19872	0.5
184.22437	0.6
187.05963	2.5
193.04842	0.7
217.08522	0.6
219.10088	0.7
220.20506	1.2
238.21544	1.4
252.23091	0.8
260.23718	1.4
262.25269	12.0
277.56683	0.6
278.24734	1.1
280.26300	40.1
298.07062	1.0
298.27362	81.7
308.25757	1.8
322.27332	2.1
326.26953	2.6
340.28421	11.4
369.13275	1.1
370.29700	0.8
385.28357	0.6
460.32507	2.3
484.32690	1.3
502.33679	57.2
503.34018	2.4
528.19537	1.0
546.32703	100.0
547.33905	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	547.1438
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03943	0.9
55.01854	0.4
55.05488	0.6
55.21791	0.2
56.02507	0.2
56.05001	0.2
57.03392	0.3
59.62471	0.2
60.59247	0.2
61.02893	0.2
65.03903	0.3
67.01836	0.3
67.05471	0.9
68.74726	0.2
68.99785	0.3
69.03415	1.3
69.07038	0.7
70.06583	1.3
71.04964	0.4
71.70381	0.2
73.02907	0.5
77.03938	0.3
79.05484	1.1
81.03404	1.7
81.07021	0.9
81.26846	0.2
83.05000	0.2
84.08109	0.8
85.02896	2.1
87.00803	0.4
91.05450	0.7
93.07014	0.9
95.04949	1.2
95.08582	0.8
95.51563	0.2
97.02864	0.7
97.06535	0.3
99.04440	0.6
105.01847	0.5
105.06999	0.4
105.08430	0.2
107.04933	82.9
107.08583	0.7
108.05242	1.0
108.08099	0.4
109.02862	1.1
109.06504	0.3
109.10103	0.6
111.04404	0.3
112.86150	0.2
119.04893	0.3
119.08553	0.5
121.06420	0.3
121.10119	0.5
123.04375	0.4
125.05938	0.3
127.03884	2.1
129.06976	0.2
129.10109	0.2
131.04930	0.3
131.08565	0.4
133.10103	0.3
135.11623	0.4
136.07541	0.4
137.05998	0.3
139.03877	2.6
145.04901	0.4
145.06497	0.3
145.10101	0.7
146.05978	3.3
147.04384	0.5
147.07988	0.3
151.03879	0.9
151.07509	0.2
151.31657	0.2
153.01788	0.5
155.08519	0.3
157.10088	0.2
159.02849	0.5
159.11679	0.3
161.05855	0.3
168.69916	0.2
177.09026	0.2
179.03273	0.2
185.13121	0.3
192.04161	0.9
193.04935	42.4
194.05283	0.8
250.80087	0.2
255.14851	0.3
257.08209	0.2
280.26337	0.5
281.12747	0.5
281.26636	0.3
298.13895	0.2
298.27371	0.5
299.09091	100.0
300.09393	3.4
367.28241	0.3
369.13303	0.4
409.08990	0.2
421.23212	0.2
461.14169	1.3
503.21024	0.3
503.34064	0.8
546.32916	0.5
547.14246	2.5
547.34167	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	547.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
53.08509	0.7
55.01854	1.9
55.05491	1.5
57.03397	0.9
65.03909	1.2
67.05489	4.2
69.03412	6.2
69.07063	1.6
70.06574	1.3
70.27636	3.2
70.28055	1.6
71.04980	1.1
73.02885	1.0
79.05486	4.9
80.04981	2.6
81.03410	8.6
81.07035	4.8
82.02940	1.3
83.04958	1.6
84.08125	1.1
84.21001	1.0
85.02891	5.2
87.00813	1.8
91.05463	6.2
93.07042	5.8
95.04948	3.8
95.08595	5.6
96.04469	0.9
97.02861	2.6
97.06487	1.9
99.04436	1.8
103.05441	1.4
105.01833	1.1
105.07002	7.5
107.04948	2.3
107.08571	4.6
108.04456	7.2
109.02860	4.1
109.06503	1.9
109.10145	3.7
110.06012	2.5
111.04412	2.1
115.05449	1.9
117.06998	4.0
118.06525	8.3
119.08556	6.1
121.06537	2.0
121.10134	2.9
123.04391	2.1
127.03898	4.5
128.06210	1.3
129.07001	4.2
130.06508	47.3
131.08540	5.0
133.06450	1.3
133.10071	4.7
135.11644	1.1
138.05453	2.4
141.06886	1.6
142.06497	2.6
142.07684	1.7
143.07283	8.9
143.08536	5.3
144.08070	6.8
144.09100	1.5
145.04965	1.1
145.06395	1.5
145.10085	5.5
146.05992	16.2
147.04366	1.4
147.11707	2.1
149.09581	1.6
149.13107	1.0
153.09094	1.0
155.08539	4.3
157.10129	7.2
159.02803	1.9
159.08057	2.8
159.11649	4.4
160.07538	1.3
161.09584	3.0
161.13264	1.1
162.31154	0.9
165.09056	1.0
166.05000	2.2
167.08502	6.8
169.07620	12.1
169.10019	4.6
170.05986	10.0
171.11682	2.1
173.09604	1.4
173.13152	1.1
179.08519	1.1
181.07634	2.2
181.10104	2.2
182.08328	1.9
183.09160	2.0
183.11594	2.4
185.09576	7.4
185.13341	2.1
187.11172	1.9
188.07031	16.2
193.10062	1.3
194.09651	1.4
195.11719	3.3
197.13237	1.9
203.10622	2.2
204.08104	1.7
206.08380	3.0
207.09157	3.3
208.09779	1.0
209.13118	1.1
213.03859	1.0
213.12675	1.9
219.09048	1.4
221.07091	3.3
221.10623	7.6
222.07910	3.2
222.11295	1.3
223.08650	4.8
223.11163	2.7
225.10175	1.7
227.10637	1.3
231.10094	2.4
235.08583	5.5
237.10266	1.5
239.10881	1.0
239.14171	1.0
241.12268	1.2
243.13936	1.2
247.08614	1.0
248.09312	1.0
249.10167	27.6
250.10773	9.2
251.11705	2.4
295.10709	1.3
296.12674	1.8
299.19983	2.5
310.95425	1.0
314.13806	5.9
327.19641	1.1
332.14847	4.0
341.21155	1.5
353.20609	1.6
360.14383	8.8
372.14410	3.0
381.19614	1.3
383.21213	1.2
391.17972	1.2
397.23825	1.0
409.19296	1.3
418.14938	7.8
427.20245	3.3
429.21869	1.2
437.18735	1.8
438.44125	0.9
455.19644	18.3
473.20569	16.2
483.18817	1.3
501.20132	99.3
502.20444	4.3
511.23410	1.2
519.21185	4.2
529.18500	1.1
530.28290	0.9
535.67175	1.0
547.20636	100.0
547.34052	3.0
548.20587	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	547.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01872	7.4
55.05502	19.0
56.56104	1.4
57.03423	11.0
57.07055	4.9
59.04982	1.6
59.32325	1.5
65.03922	3.8
67.05492	74.4
68.05793	1.6
69.03419	4.7
69.07051	21.4
69.87021	10.4
71.04972	9.0
79.05019	2.6
79.05475	40.5
81.03406	5.3
81.07043	67.4
82.07379	2.1
83.04973	9.7
83.08596	8.9
85.06527	7.6
91.05463	80.1
93.07024	49.6
94.07349	1.7
95.04952	7.8
95.08585	27.4
96.36007	1.8
97.06532	5.8
97.10164	3.4
99.04435	3.3
99.08100	2.9
105.07011	85.6
107.04962	2.2
107.08572	52.4
108.08883	2.1
109.06511	6.7
109.10136	62.3
111.08089	1.6
111.72635	1.3
113.06032	1.5
113.09606	2.0
117.07001	13.7
119.08552	47.0
121.06493	2.8
121.10124	13.6
123.08038	2.9
123.11683	13.3
125.09637	3.1
127.07547	3.5
128.06207	3.2
129.05493	1.5
129.06967	8.2
131.08554	20.5
133.10101	100.0
135.08049	3.6
135.11655	15.7
136.11945	1.5
137.09544	2.1
141.06924	2.2
143.08501	8.2
145.10104	14.4
147.08005	1.5
147.11653	39.9
149.09589	1.6
149.13214	7.5
151.11157	43.3
157.10085	8.0
159.11679	13.8
161.13231	27.6
163.11174	2.1
163.14796	2.3
169.12228	9.3
171.11661	7.1
173.08571	1.6
173.13228	11.0
175.11200	1.8
175.14786	15.5
177.12840	1.8
179.10628	2.4
185.13246	6.7
187.14749	3.8
199.14778	2.9
213.16368	2.1
215.12766	4.4
215.17812	2.5
217.19331	1.6
231.21100	6.8
241.19438	26.2
253.14296	69.8
257.18832	1.9
259.20529	65.4
271.15366	46.3
277.21600	7.0
315.23163	6.3
333.24152	33.1
351.25375	2.1
437.30402	2.2
487.25616	1.6
511.34055	5.6
529.35077	15.9
547.39178	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	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00097	2.0
52.42016	2.0
53.03930	4.3
55.01855	3.9
55.05271	2.4
55.05501	28.6
57.03421	8.5
57.07058	5.3
61.81891	1.7
63.69551	1.8
65.03923	5.3
67.05494	89.6
69.06728	2.4
69.07058	24.5
71.04968	4.1
71.70296	2.7
79.05022	3.1
79.05480	44.5
81.03403	3.5
81.07043	100.0
82.07394	1.8
83.04970	5.6
83.08599	16.3
84.63904	1.8
85.06519	5.9
91.05465	41.4
92.05809	2.5
93.07032	63.5
95.04935	8.6
95.08587	55.7
97.06512	9.4
97.10131	7.2
99.08072	2.5
105.07019	37.9
107.04920	2.4
107.08572	43.7
109.06493	4.2
109.10129	32.3
111.08060	3.6
117.06995	13.1
119.08559	33.5
121.10124	25.6
123.08043	3.9
123.11707	10.7
125.09616	2.4
129.06960	7.6
131.08549	23.0
133.10112	28.6
135.07933	3.0
135.11673	20.4
137.09581	2.6
137.13231	3.1
143.08487	4.5
145.10100	22.0
147.11687	21.1
149.09621	2.9
149.13232	16.2
151.11270	2.4
155.08530	3.0
157.10074	11.1
159.11655	16.9
161.13240	8.8
163.14806	3.1
165.12724	3.5
169.10092	4.7
171.11661	7.3
173.09668	2.0
173.13232	13.4
175.14819	5.6
177.12674	3.5
183.11682	3.1
185.13225	6.4
187.13231	2.5
187.14796	7.3
189.11169	2.0
193.12144	3.2
195.13777	6.8
196.00818	1.9
197.13182	3.8
199.14943	3.9
209.13359	2.2
216.86110	1.9
227.12720	2.9
229.14272	7.3
261.22104	13.6
267.15601	3.0
269.17462	14.0
273.22095	2.9
287.23660	5.7
289.21753	2.1
301.25165	3.5
305.24475	3.1
317.24872	3.9
333.23981	2.5
335.25708	14.1
357.27670	2.4
361.27280	2.3
389.26746	2.4
419.32761	3.1
432.22812	2.2
437.34082	14.5
455.35193	11.4
470.76849	2.0
473.36197	12.7
474.63712	2.3
503.37109	5.4
511.37677	6.0
529.38757	67.9
547.39911	53.8
548.40240	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	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71130	1.6
52.50873	2.0
52.54496	1.5
53.03922	4.0
54.19088	1.9
55.01862	2.6
55.05505	29.7
57.03432	11.1
57.07060	5.1
59.28650	1.6
60.54153	1.7
61.81162	1.6
65.03905	3.6
67.05494	85.5
69.07058	24.6
69.41634	14.9
69.42043	3.3
71.04964	5.2
79.05479	47.2
81.03388	2.4
81.07043	100.0
83.04967	5.4
83.08601	15.8
85.06518	5.6
91.04922	2.7
91.05468	32.5
93.07030	63.3
95.04934	7.8
95.08006	3.2
95.08591	59.3
96.53355	1.6
97.06512	7.9
97.10142	5.2
98.21306	6.3
105.07014	33.5
107.08578	34.4
109.06501	4.5
109.10144	30.3
111.08051	6.9
111.11697	2.0
117.06986	10.3
117.93974	2.0
119.08554	31.5
121.10130	27.0
123.08039	3.2
123.11679	10.8
125.09582	3.7
129.07013	3.9
131.08534	23.2
133.10114	22.9
135.11682	18.8
137.09540	2.7
143.08528	6.5
145.10114	17.1
147.11670	18.4
149.09569	2.6
149.13254	20.2
155.08553	2.5
157.10091	7.4
159.11682	16.2
161.13210	8.0
163.11226	2.4
163.14767	5.5
169.10100	1.9
171.11662	6.6
173.11884	2.5
173.13203	11.1
175.14780	2.9
177.12715	3.6
179.14227	1.8
183.11639	3.8
185.13202	3.7
187.14783	6.1
195.13762	9.1
199.14816	4.0
225.16257	2.0
229.14331	6.5
243.15846	2.2
243.20944	2.3
247.20525	4.2
259.20395	3.5
261.22052	15.3
267.15924	3.7
269.17432	23.3
275.19952	2.2
280.11249	2.1
283.18973	1.9
287.23663	3.4
301.25122	7.9
317.24716	3.8
321.04724	2.1
335.25784	17.8
437.34045	10.6
455.35278	12.4
473.36380	8.7
503.37088	4.6
511.37692	4.2
529.38861	70.7
547.40009	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
54.14413	1.1
55.01850	4.2
55.05504	32.3
57.03429	14.3
57.07051	3.9
60.14301	1.2
65.03916	4.4
67.05497	68.1
68.92913	1.3
69.03407	1.8
69.07058	28.4
71.04983	11.4
71.08620	1.3
71.70537	1.8
73.06542	1.3
79.05020	2.8
79.05484	51.9
81.07044	100.0
83.04961	4.9
83.08602	15.3
85.06525	7.5
89.91537	1.5
91.05467	63.8
93.07030	68.9
95.04950	10.1
95.08591	84.2
96.08923	2.2
97.06511	16.3
97.10143	6.1
99.08096	6.3
103.05460	1.5
105.04495	1.2
105.07014	64.9
107.04918	2.1
107.08582	35.9
109.06502	3.8
109.10128	16.7
111.08042	3.5
113.09620	2.7
113.61881	1.1
117.07005	14.2
119.08563	72.5
120.08871	1.3
121.06416	1.2
121.10126	25.5
123.08020	3.4
123.11663	4.2
128.06129	1.1
129.05432	1.5
129.06987	10.5
131.08543	24.8
133.10106	50.5
135.04231	1.2
135.07996	1.5
135.11676	28.3
137.09586	3.2
137.13242	5.3
141.85294	1.2
142.07599	1.2
143.08554	7.8
145.10107	20.7
147.08029	2.0
147.11662	34.2
147.12852	1.8
149.09561	3.7
149.13231	13.5
151.11171	1.8
155.08524	1.2
157.10101	9.8
159.11671	15.6
161.13237	57.3
163.11142	1.9
163.14818	5.2
169.10062	2.5
171.11678	9.3
173.13251	11.3
175.11157	2.3
175.14809	20.8
176.15283	1.3
177.12729	1.9
179.14281	16.7
183.11702	1.4
185.13229	10.3
187.14796	4.6
189.12747	2.5
191.17467	1.1
195.13759	1.9
197.13249	2.5
199.14801	7.3
201.16376	1.4
203.14380	1.7
209.13356	1.8
211.14703	1.4
213.16409	2.8
215.17896	2.4
217.19398	2.7
227.12714	1.4
229.01840	1.4
231.21005	4.6
235.17026	1.3
239.18034	1.3
241.19470	35.0
243.20984	1.8
253.17952	8.7
255.15886	3.0
257.18924	1.9
259.20551	57.2
260.20889	1.4
261.22104	3.2
264.65637	1.1
269.17505	6.1
271.18976	35.5
275.20056	5.3
277.21552	6.0
291.19510	1.8
315.23138	5.5
333.24167	38.3
335.25735	4.5
349.23587	3.0
351.25256	12.5
437.33975	4.2
455.35291	8.2
511.37430	3.4
529.38965	21.5
547.40405	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01846	3.1
55.05503	26.4
57.03432	3.0
57.07051	3.7
65.03923	6.8
67.05495	100.0
69.03421	3.3
69.07059	22.1
70.88963	8.4
71.04612	4.2
71.04983	56.7
71.76032	2.3
79.05479	64.0
81.03399	9.5
81.07043	57.4
83.04964	12.8
83.08602	9.6
85.06511	5.9
89.63786	2.5
91.05464	50.2
93.07032	78.3
95.04953	11.4
95.08594	49.4
97.06516	8.0
97.10157	5.9
103.05436	2.4
105.07018	23.9
107.04887	3.8
107.08578	32.9
109.06497	5.9
109.10137	59.2
111.08041	3.6
117.07002	8.4
119.08555	31.9
121.06447	2.9
121.10120	27.7
123.08006	2.8
123.11667	5.3
125.09602	2.2
129.06892	2.5
131.08548	13.4
133.10126	13.9
135.07953	2.7
135.11678	30.8
137.09589	22.3
143.08546	4.0
145.10129	13.5
147.11653	7.8
149.13223	8.7
151.11086	2.8
155.10672	6.0
157.10146	4.7
159.11697	8.6
161.13289	6.5
163.11171	5.1
163.14804	4.1
169.12239	9.7
171.11702	3.3
173.11848	3.2
173.13292	7.2
181.12195	6.2
227.12799	3.7
234.26604	2.2
236.76071	2.3
261.22168	4.0
267.15677	5.8
269.17212	2.6
271.15466	3.8
285.21973	2.7
310.85629	2.6
331.02277	3.4
363.25110	3.0
385.09418	2.7
455.35477	4.7
473.36276	4.1
503.37274	20.6
515.37079	11.2
529.31488	2.7
529.38739	17.6
547.40186	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	3.0
55.01854	3.1
55.05275	2.5
55.05500	24.6
55.46093	1.6
57.03416	9.2
57.07064	6.0
59.98008	1.6
65.03903	4.4
67.05493	86.6
68.05806	2.7
68.84040	1.8
69.03399	2.9
69.07053	25.1
71.04973	6.4
71.08640	2.4
71.68004	2.7
79.05021	2.7
79.05479	44.9
79.06195	1.9
79.74613	2.0
81.03418	2.7
81.07042	100.0
82.07368	3.2
83.04958	4.9
83.08601	17.9
84.08904	1.9
85.06509	4.4
90.34122	1.8
91.05465	41.0
93.07029	62.0
94.07365	2.0
95.04948	7.7
95.08587	54.2
97.06516	9.5
97.10130	6.4
99.08059	3.0
102.26440	1.9
105.07007	41.1
107.04990	1.9
107.08579	32.2
109.06480	3.4
109.10132	30.0
111.08067	4.4
117.07005	13.0
119.08555	31.8
121.06510	2.3
121.10117	31.3
123.08025	2.7
123.11679	12.6
125.09614	4.6
129.06964	7.6
130.07741	1.7
131.08543	26.9
133.10110	28.4
135.08032	2.4
135.11646	17.5
143.08563	6.7
145.10109	20.5
147.11639	17.4
149.09564	2.6
149.13219	13.9
151.11172	2.8
155.08543	2.7
157.10085	10.7
159.11691	20.6
161.13240	10.5
163.11169	2.6
163.14798	2.6
165.12790	2.7
169.10100	3.2
171.11673	9.5
173.13240	7.6
175.11197	2.1
175.14803	6.1
175.90585	1.8
177.12709	3.8
178.69748	2.0
179.14334	2.9
181.10155	2.2
185.13252	4.7
187.14716	4.5
195.13745	3.6
197.13087	2.0
199.14842	4.7
220.19633	1.7
223.02426	2.1
229.14394	3.0
243.21054	3.0
247.20512	1.8
259.20483	2.1
261.22159	13.3
267.15778	4.8
269.17419	13.3
275.20297	3.2
279.23447	2.7
285.21988	2.1
287.23724	4.3
299.23566	2.5
301.25189	4.3
317.24606	4.2
320.03305	1.9
335.25986	11.0
419.32925	3.3
437.34134	15.0
448.66766	2.2
455.35135	13.0
456.45822	1.9
473.36304	10.1
503.37009	4.9
511.37518	5.4
529.38751	71.9
547.39972	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01831	1.7
55.05506	5.7
57.03425	3.7
57.07037	0.6
58.06593	2.1
61.02919	2.5
67.05493	7.6
67.78770	0.4
69.03422	18.3
69.07059	4.6
70.06581	18.6
71.01333	0.6
71.04987	2.5
73.02909	4.9
79.05476	2.3
81.03407	17.0
81.07050	8.2
82.06525	1.3
83.01290	0.6
83.08602	2.4
84.08088	1.2
85.02893	25.9
87.00785	1.2
87.04424	1.0
91.05460	0.9
93.07036	2.6
94.06548	0.4
95.04940	0.7
95.08029	0.4
95.08595	8.3
96.08105	3.2
97.02877	10.9
97.08904	2.2
97.10118	1.2
98.09681	2.6
99.04436	5.8
99.10410	0.4
101.02348	0.9
103.03931	3.3
103.77489	0.4
105.01781	0.6
105.06979	1.2
107.08550	1.8
109.02860	13.4
109.06485	0.4
109.10149	3.7
110.09660	3.9
114.09138	1.3
115.03876	1.0
119.08544	0.8
121.10084	1.0
123.11658	1.1
124.11198	0.7
127.03899	17.3
131.08502	0.4
135.04314	0.4
138.12750	0.6
139.03813	0.6
145.04950	3.3
145.10068	0.5
157.10196	0.5
169.04962	0.5
187.06003	3.0
200.19911	0.5
213.03818	0.4
222.22156	0.8
229.84998	0.5
264.26813	11.3
280.26196	0.5
282.27878	69.1
283.28189	1.4
288.14499	0.7
300.28931	47.2
301.07025	7.0
301.10437	0.7
301.29282	1.1
310.27094	2.0
324.28952	7.9
342.29959	4.1
354.30005	0.9
362.01047	0.4
426.32126	0.9
444.33218	1.0
462.34357	2.4
486.34253	5.9
504.35266	55.3
505.35782	1.4
530.32574	0.5
536.57690	0.5
548.34247	100.0
549.34326	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	548.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.01855	1.3
55.05500	10.1
57.03415	3.4
57.07058	1.0
58.06572	3.8
61.02913	2.4
65.32365	0.8
67.05490	12.5
69.03050	0.9
69.03418	16.0
69.07052	7.6
70.06214	1.2
70.06582	19.4
70.83121	1.5
70.83492	1.4
71.04985	2.6
73.02885	2.9
79.05471	3.7
81.03401	11.7
81.07043	11.6
82.06555	2.1
83.04956	0.9
83.08599	4.0
84.08124	1.8
85.02381	1.5
85.02893	24.9
87.00815	1.4
87.04440	1.3
91.05470	1.9
93.07040	4.1
95.04961	1.3
95.08592	10.6
96.08117	5.9
97.02879	9.0
97.08887	2.0
97.10170	1.3
98.09683	3.2
99.04457	5.8
100.11224	1.1
101.02380	1.3
103.03921	3.0
105.01856	1.0
105.06987	1.0
107.08559	3.1
109.02859	10.6
109.10148	4.8
110.09657	2.1
114.09158	2.5
115.03857	1.2
121.10098	2.0
123.11711	1.0
127.03892	16.0
133.10114	1.2
145.04935	2.6
151.03934	1.6
159.02734	0.8
165.09100	1.7
184.79813	0.9
187.06015	2.7
211.53696	0.7
251.27646	0.8
264.26831	63.0
265.27127	1.7
282.27875	52.6
283.09576	1.0
283.28268	1.0
286.04803	1.1
300.28928	52.6
301.07144	4.6
301.10284	1.3
324.28983	1.8
342.30081	5.2
447.23090	0.8
462.34274	2.1
486.34198	3.1
504.35226	44.0
505.35870	1.3
548.34265	100.0
549.34644	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	549.1231
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.87209	0.2
55.01865	0.4
55.05487	0.2
57.53584	0.2
57.85920	0.3
63.22704	0.2
66.12395	0.2
66.67850	0.2
67.05479	0.7
68.99793	0.3
69.03420	0.7
69.07069	0.4
69.72980	1.8
70.06578	0.9
70.33578	0.2
79.05479	0.6
81.03411	0.7
81.07040	1.4
84.08142	0.8
85.02888	0.8
86.09686	0.3
91.05486	0.7
93.07037	0.4
95.04965	0.5
95.08568	0.8
99.04428	0.3
105.07031	0.6
107.04961	0.3
107.08564	0.5
109.02855	0.7
109.10165	0.5
119.04949	1.3
119.08589	0.3
121.06466	0.6
121.10139	0.4
123.04403	6.8
127.03882	0.6
135.04420	0.4
137.05943	0.9
139.03879	0.5
145.06465	0.3
147.04379	4.5
149.05992	0.6
149.09703	0.3
151.03876	17.0
152.07146	0.3
153.01749	0.4
157.10077	0.4
161.05887	0.6
163.03856	0.6
165.05446	2.7
167.07005	0.7
176.03400	0.4
177.05446	1.1
179.07118	0.3
181.04877	0.4
207.10110	0.3
215.10954	0.3
219.10121	19.6
229.04979	0.5
246.31413	0.3
249.11136	0.4
258.02386	0.4
258.05206	13.5
286.04669	36.3
287.04929	0.4
301.07010	100.0
302.07300	1.1
303.08633	0.5
340.09940	0.3
353.13852	0.3
354.87354	0.3
371.14835	11.8
372.15549	0.3
386.10522	0.5
401.75458	0.3
463.12335	1.5
549.12097	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	549.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06910	0.7
62.75103	0.7
70.84288	1.5
70.84653	1.5
72.61603	0.7
73.99140	0.6
76.67096	0.6
94.06519	1.6
138.05490	0.9
146.05957	1.0
146.68036	0.7
178.05016	0.8
191.05768	0.7
197.07047	0.9
197.10684	2.9
197.88400	0.8
198.07744	1.7
198.11481	1.9
199.08626	8.0
201.10147	1.2
204.06451	0.9
210.09097	0.8
211.08646	7.1
211.12260	1.6
212.09340	4.5
212.91455	0.7
213.10146	10.8
214.07320	1.6
214.10999	2.6
224.09175	1.1
224.10921	0.9
225.06813	1.0
225.10164	20.8
226.07277	9.5
226.10822	6.4
227.08128	13.0
227.11678	8.1
237.10123	1.7
238.10970	0.8
239.08076	1.8
239.11729	10.2
240.08852	2.2
240.12439	6.5
240.14442	0.7
241.09654	16.1
241.13240	3.4
242.10428	12.8
251.08221	1.0
251.11745	1.4
252.08804	1.1
253.09636	12.5
254.10458	2.6
255.11212	15.7
257.12790	37.5
258.13300	0.9
265.09711	1.4
267.08234	1.3
267.11197	15.4
268.08496	2.0
268.11987	15.2
269.09229	1.9
269.12827	5.0
270.09888	0.9
271.10526	1.5
273.12439	0.8
278.10654	1.0
279.11267	0.7
280.12039	2.5
281.09232	2.4
283.10870	1.5
284.11545	3.0
285.12256	6.7
286.09430	1.0
286.13000	1.6
295.10712	11.1
296.08017	0.9
296.11490	15.1
297.12247	4.3
298.13098	1.5
299.10202	2.5
300.10934	2.0
313.11746	59.8
314.12500	22.3
315.13306	1.9
323.10211	1.1
324.10959	1.4
331.14035	0.7
341.11319	6.2
342.12024	40.1
343.04276	1.4
345.14517	1.3
355.12848	2.2
356.13910	1.0
373.13895	14.6
374.14355	5.3
383.11993	0.9
401.09338	2.0
401.13950	1.2
411.11609	1.1
429.12833	2.6
433.15930	2.6
443.14529	9.3
457.12186	3.9
471.13962	6.9
473.15219	4.7
475.13324	1.2
489.14929	50.6
490.15332	1.1
499.13477	2.3
517.14410	61.6
518.15045	1.8
531.16193	1.2
549.17023	100.0
550.17853	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	549.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59563	0.7
69.03290	1.9
77.30370	0.8
81.03302	0.8
84.08006	0.8
85.02738	3.8
91.05344	1.1
97.02721	2.7
109.02745	0.9
111.04302	0.7
120.07927	0.7
123.07895	1.7
123.11617	0.7
127.03693	2.0
135.68716	0.7
137.05734	0.8
145.04802	1.7
148.69717	0.6
151.07298	2.4
163.10992	1.3
184.19427	0.7
196.11057	1.0
197.10474	2.0
198.07671	2.3
198.11340	1.1
199.08638	11.5
207.13571	2.7
211.08604	11.9
211.12013	2.1
212.09384	4.5
213.10170	12.9
214.07182	2.1
214.10947	4.8
223.08423	1.1
224.09061	1.0
225.06352	1.7
225.10143	15.8
226.07344	13.5
226.10817	7.7
227.08098	23.1
227.11597	6.5
228.08604	1.0
237.10091	1.1
239.07909	2.2
239.11745	7.6
240.08946	3.4
240.12450	5.9
241.09669	17.5
241.13135	1.8
242.10451	16.9
249.10309	0.7
251.08002	0.7
251.11655	1.8
252.12381	0.7
253.09662	8.9
254.10513	3.6
255.11249	12.3
257.12811	18.9
267.11246	13.0
268.08307	2.3
268.11990	15.6
269.08960	2.4
269.12762	3.2
270.13504	1.1
271.10559	2.0
273.12167	1.0
280.11798	2.4
281.09018	2.8
283.10580	1.7
284.11606	1.2
285.09103	0.7
285.12253	3.8
286.09335	1.8
286.12967	1.9
287.49011	0.8
295.08066	0.7
295.10770	7.5
296.08194	1.2
296.11481	14.6
297.12131	3.3
298.13004	1.5
299.09940	2.2
300.10858	1.8
301.11673	1.1
313.11752	35.5
314.12531	17.0
323.09973	1.1
324.10898	1.9
341.11301	5.8
342.12039	55.4
343.04358	0.8
343.12485	1.6
345.14493	0.8
355.12756	1.2
373.13953	7.8
374.14365	5.7
383.12024	1.7
387.11636	1.6
401.09314	3.2
411.11783	1.0
417.12842	1.4
429.12720	2.2
433.16156	1.5
443.14441	4.2
455.14224	1.2
457.12479	3.1
471.13837	5.4
473.15622	4.1
475.13495	1.3
489.14963	30.3
490.15143	0.9
499.13528	3.2
517.14447	100.0
518.14777	1.2
531.16071	2.5
531.60437	0.7
549.17084	57.9
550.17450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09235	1.0
69.86761	7.7
70.06579	1.1
85.02907	1.3
87.05809	1.2
101.35505	1.0
156.92661	1.2
178.04913	1.4
197.10748	4.3
199.08633	11.2
199.12364	1.3
210.09465	1.2
211.08633	13.2
211.12241	2.3
212.09305	6.6
213.10178	12.7
214.10962	2.4
225.10187	27.2
226.07361	11.1
226.10895	8.8
227.08136	14.3
227.11707	7.3
228.08853	2.2
229.09662	1.4
239.08202	2.1
239.11792	11.3
240.08946	3.1
240.12531	5.5
241.09680	21.2
241.13406	4.1
242.10435	14.2
250.10901	1.5
251.11673	2.3
252.08847	1.9
252.12598	1.5
253.09688	14.6
254.10460	4.2
255.11246	20.4
256.11728	1.5
257.12817	41.7
267.11212	20.2
268.08923	1.8
268.12012	18.1
269.09259	2.4
269.12842	5.7
271.10776	2.4
279.11069	1.6
280.12070	5.4
281.09146	2.9
282.09805	1.6
283.10931	1.4
284.11514	2.8
285.12292	7.9
286.09549	2.4
286.13098	3.5
295.10709	14.7
296.08163	2.0
296.11484	18.5
297.12250	7.5
298.13116	1.5
299.10333	2.7
300.11081	2.1
313.11774	61.0
314.12497	27.9
315.13217	2.5
323.10104	2.0
324.10950	1.6
341.11200	5.8
342.12076	48.9
345.14584	1.9
355.13058	2.0
361.77475	1.2
373.13925	15.5
374.14395	10.4
387.11795	1.1
401.09586	2.5
411.11707	2.1
417.12991	1.3
429.13058	2.2
433.15976	3.0
443.14624	9.9
455.14511	3.3
457.12085	5.9
461.15454	1.6
471.13919	8.6
473.15445	6.7
489.15024	59.6
490.15137	3.2
499.13336	4.9
517.14484	71.7
518.14673	2.8
531.16144	2.9
549.17078	100.0
550.17548	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	549.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
55.01860	1.1
57.03426	0.9
58.16303	0.7
67.05486	1.3
68.99780	0.9
69.03409	1.9
69.86604	3.1
69.87022	0.9
70.06570	2.1
71.01340	0.9
78.72444	0.6
79.05470	1.7
81.03414	2.6
81.07047	3.5
83.25419	0.6
84.08138	1.0
85.02883	6.4
86.09692	0.6
91.05466	2.1
92.80342	0.7
93.07036	1.4
95.04971	2.7
95.08588	2.4
97.02889	2.0
98.21384	0.9
99.04463	0.8
103.03912	1.0
105.07010	1.8
107.04948	1.3
107.08558	1.3
109.02843	2.9
109.06503	1.1
109.10135	2.8
119.04913	4.9
119.08535	1.2
119.71258	0.6
120.08072	1.0
121.06463	1.6
123.04413	24.0
123.08056	2.2
123.11692	0.6
125.02342	1.2
127.03901	3.5
129.07126	0.7
133.10138	1.0
135.04402	2.2
137.05980	1.5
138.09148	0.8
139.03902	1.4
145.04893	1.5
145.10074	0.9
147.04390	17.6
149.05933	3.0
149.09590	1.2
151.03877	81.8
157.10117	0.6
161.05949	1.6
163.03909	2.5
165.05447	11.0
166.08690	0.9
167.07121	0.6
173.06024	0.8
177.05440	6.8
177.09065	1.8
181.04942	1.5
185.05719	0.6
189.05443	0.7
189.12737	0.7
191.10707	0.6
201.09128	1.0
207.06575	0.9
207.13786	0.8
219.10130	100.0
220.10480	1.3
249.11279	0.8
273.03860	1.1
285.07489	0.8
301.03387	1.5
303.05023	9.3
303.08578	1.8
353.13644	1.0
371.14822	33.7
372.15329	0.7
387.24713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	1.1
55.05496	0.7
55.52630	0.4
58.11632	0.5
65.03942	0.6
67.05492	1.6
68.99780	0.7
69.03390	0.5
69.62170	4.3
70.06602	0.8
79.05479	1.4
80.28464	0.5
81.03407	1.5
81.07035	3.6
83.04953	0.6
85.02895	0.5
91.05465	1.9
93.07046	0.7
95.04948	1.0
95.08576	1.4
105.03329	0.7
105.07018	1.3
107.04933	0.9
109.02877	1.7
109.06484	0.5
109.10135	1.1
119.04914	6.0
121.06454	1.2
123.04407	28.4
123.08051	1.5
125.02328	1.2
127.03901	1.4
128.75264	0.5
131.08522	1.0
133.09991	0.7
135.04382	2.2
137.02354	0.6
137.05946	1.8
139.03873	2.1
143.04837	0.7
147.04387	19.4
149.05969	2.9
149.09615	0.8
151.03877	82.8
153.05434	0.5
161.05975	1.7
163.03886	3.2
163.07503	0.6
165.05460	13.0
177.05460	6.4
177.09038	1.0
179.07133	0.5
181.04811	0.9
187.38486	0.5
189.05428	0.7
191.10651	0.9
193.04912	0.6
198.36320	0.5
201.09056	1.6
207.06488	1.0
207.10078	1.4
219.10127	100.0
220.10432	1.8
231.10130	1.0
249.11087	1.4
301.07077	1.0
303.08441	2.7
353.13669	0.6
371.14825	51.7
372.14883	0.8
384.25314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02599	0.5
53.03934	0.8
55.01855	1.5
57.07061	1.1
63.66613	0.5
65.03913	0.7
67.05483	2.2
68.99783	0.6
69.03426	2.0
69.07046	0.7
70.06573	1.7
71.04986	1.1
71.70259	0.7
71.70609	0.8
77.03902	0.6
79.05465	3.1
81.03400	2.2
81.07032	5.5
83.08573	0.7
84.08134	0.9
85.02892	2.0
91.05460	3.6
93.07016	2.0
95.04946	2.9
95.08588	2.5
97.02876	1.1
97.06532	1.0
105.03373	0.7
105.07020	1.9
107.04922	1.7
107.08570	1.5
109.02876	2.9
109.10102	2.8
115.05442	0.8
119.04919	9.9
119.08595	1.6
119.71211	0.7
121.06464	0.9
121.10127	1.1
123.04404	41.7
123.08031	2.2
125.02316	1.1
127.03925	3.0
127.62485	0.6
129.10205	0.8
131.04941	0.9
131.08554	1.6
133.06505	0.6
133.10071	1.0
135.04372	1.8
135.08075	0.9
136.07549	0.9
137.05942	3.7
139.03885	3.2
143.08499	0.8
145.06471	0.7
145.10066	1.5
147.04379	31.2
147.08081	0.9
149.05965	4.0
149.07132	0.6
149.09613	0.9
151.03874	94.6
155.08514	0.7
159.07936	0.8
159.11665	0.8
161.05992	2.6
161.09628	0.9
163.03842	3.8
163.07594	1.0
165.05450	16.8
167.06993	2.5
167.46550	0.5
173.05927	0.7
176.03333	0.6
177.05443	9.2
177.09088	1.2
179.06918	0.7
181.04935	1.7
189.05547	0.9
191.10666	0.7
193.04945	1.0
195.10138	0.7
201.09056	2.1
207.06459	1.7
207.10028	0.9
219.10124	100.0
220.10518	1.6
249.11201	2.2
258.05188	7.4
262.64362	0.7
271.06042	2.1
285.07654	0.9
286.04651	18.2
301.07004	49.4
302.07516	1.5
303.08487	3.0
340.09647	1.3
353.13675	1.5
371.14822	67.5
372.15189	1.1
385.10300	1.1
386.10519	1.9
437.00726	0.7
445.20782	0.9
457.18781	0.6
539.41022	0.7
549.12170	1.1
549.24811	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	549.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
55.01860	1.6
57.03421	0.9
58.85093	0.8
59.13976	0.7
65.03938	0.9
67.05492	2.5
68.99787	1.3
69.03433	1.3
69.07054	0.9
69.99514	4.1
70.06569	1.2
72.08151	0.7
79.05469	1.9
81.03400	1.7
81.07039	5.6
85.02903	1.6
85.06506	0.8
91.05475	3.6
93.07030	1.7
95.04934	3.2
95.08594	2.5
97.02869	1.0
105.03390	0.8
105.07036	1.3
107.04964	1.7
107.08589	1.6
109.02891	3.6
109.10158	2.1
111.04411	0.7
115.05449	0.9
119.04919	9.6
119.08554	1.0
121.06479	1.2
121.10119	0.7
123.04412	45.7
123.08040	2.6
124.31962	0.6
127.03916	3.5
131.08530	1.1
133.10184	0.9
135.04413	2.7
137.05952	2.9
139.03853	5.0
143.04912	1.1
145.10103	0.9
147.04388	35.6
149.05983	4.7
151.03882	99.8
152.04202	1.2
161.05965	4.2
161.66299	0.7
163.03905	4.9
165.05455	19.1
165.09073	1.0
173.09538	0.9
177.05450	9.4
177.09021	1.6
179.06920	1.5
181.04974	1.9
189.05388	0.8
191.10674	0.9
193.04935	1.1
195.10088	0.9
198.12709	0.7
201.09116	1.6
207.06476	3.7
207.10184	1.4
217.08397	0.8
219.10133	100.0
231.10202	1.4
249.11166	2.4
249.27831	0.7
287.05502	2.6
303.08640	4.1
340.85645	0.7
353.13696	1.9
362.94556	0.8
371.14844	78.7
372.15088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	20.1
55.01862	13.6
55.05494	9.8
56.04873	2.5
57.03424	14.8
59.71312	2.7
60.08155	4.3
61.02911	10.5
65.03918	2.8
67.05493	27.7
68.99781	12.5
69.03419	73.0
69.07050	6.2
70.06582	3.1
71.04971	9.7
71.70374	3.8
73.02902	11.5
75.04473	3.5
78.79736	2.5
79.05478	19.6
81.03404	81.5
81.07043	46.0
83.04956	5.3
83.08611	3.9
85.02892	100.0
86.09688	23.6
87.00812	49.0
87.04459	3.0
91.03928	3.7
91.05463	24.7
93.07030	45.1
95.04961	17.0
95.08590	46.2
97.02308	4.5
97.02875	45.8
97.06505	5.4
97.10132	4.0
99.04425	19.8
103.03938	4.2
103.28270	2.2
104.10686	3.4
105.01844	31.4
105.07011	49.5
105.21831	2.6
107.04946	3.8
107.08576	29.6
109.02162	4.8
109.02863	64.6
109.06503	8.9
109.10126	19.7
111.04410	6.9
111.08079	3.3
115.03925	7.1
116.29305	2.6
117.01850	7.4
117.06996	10.2
119.08567	45.8
121.06483	8.1
121.10143	18.2
123.04414	3.8
123.08038	6.2
123.11693	4.8
124.99989	11.7
127.03896	94.2
129.01781	10.0
129.06989	9.5
130.07793	3.8
131.08537	28.8
133.10107	24.5
135.08035	4.7
135.11656	10.0
137.09584	4.1
142.07784	7.4
143.08537	24.2
144.09344	3.2
145.04951	32.0
145.10086	39.8
147.02844	7.5
147.07944	4.7
147.11668	31.1
155.08525	10.1
156.09326	5.5
157.10118	30.7
158.10643	3.2
159.02881	36.8
159.11673	39.1
161.09570	6.7
161.13223	16.9
163.07533	3.2
163.11157	3.5
163.14832	3.3
169.10109	16.2
170.10886	3.2
171.07967	2.7
171.11652	23.7
173.09604	3.7
173.13249	16.9
175.11182	4.2
180.09265	3.9
181.09982	5.8
182.10834	3.3
183.11678	12.2
184.07307	54.3
185.07713	2.9
185.09628	3.5
185.13301	15.7
187.11182	5.2
187.14775	15.2
189.12730	3.7
189.16234	3.8
193.10101	4.9
195.11647	11.2
197.13232	15.1
199.11182	3.5
199.14763	14.1
200.15466	3.5
201.16252	12.7
207.11766	3.6
209.13190	9.1
211.14771	10.4
213.03949	5.7
213.16414	5.2
221.13214	5.2
223.14745	6.7
225.12701	4.2
225.16403	9.5
227.14369	4.2
227.17894	6.2
231.05011	14.9
235.11069	3.5
235.14645	3.4
237.16359	4.6
245.15419	5.2
251.14278	3.4
253.19513	6.7
255.20987	5.7
259.16977	2.9
263.17847	5.0
265.19473	4.3
279.20737	3.2
281.18945	5.2
283.20526	8.7
287.19901	5.0
299.20175	13.1
301.21561	59.4
313.21512	11.3
325.21533	11.3
343.22534	6.4
363.23087	3.8
367.22577	4.0
373.22037	3.4
391.22531	17.2
409.23697	7.5
449.21570	5.7
495.23477	7.1
513.24408	7.3
531.25507	10.9
549.27032	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	549.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49142	4.0
53.03934	4.1
55.01852	5.3
55.05500	41.3
57.03418	12.0
57.07056	11.9
61.02952	3.9
65.03931	6.6
67.05133	5.7
67.05490	90.0
69.03419	5.1
69.07056	50.5
71.04977	8.5
71.08616	7.0
71.69791	3.4
71.70232	3.4
72.87267	2.8
79.05477	43.6
81.03403	55.9
81.07040	86.8
83.04975	10.0
83.08609	39.9
85.02887	24.5
85.06534	8.5
91.05466	44.5
93.07027	45.4
95.04949	21.6
95.08592	58.6
97.06529	4.9
97.10147	18.9
99.08125	4.4
102.04945	3.3
105.07011	48.1
107.04953	4.5
107.08562	34.7
109.06499	5.7
109.10133	53.7
111.08042	10.6
111.11705	4.2
117.07008	4.1
119.08548	22.0
121.06526	3.8
121.10121	20.2
123.11685	14.3
127.07609	3.0
129.06935	6.4
131.08531	15.7
133.06514	3.1
133.10104	51.0
135.11665	13.0
143.08533	4.0
145.10080	4.9
147.11659	9.5
149.09538	4.2
149.13200	6.0
151.11157	17.7
157.10085	10.0
163.14896	3.4
166.53387	2.9
169.12216	5.3
170.31023	2.9
173.13220	6.0
175.11133	10.8
184.07384	5.2
187.76521	3.0
193.12207	55.3
211.13242	51.7
253.14348	44.4
261.22137	14.9
265.25217	3.9
267.15775	5.6
271.15378	13.9
293.17340	5.0
313.27353	4.8
316.49149	3.3
317.25018	3.3
332.16473	3.5
335.25726	9.6
339.28751	3.5
513.35547	4.8
516.84436	3.1
531.37677	5.8
549.41425	100.0
549.49658	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81863	1.4
53.03929	4.0
55.01850	5.7
55.05269	1.9
55.05503	23.2
57.03422	8.3
57.07056	5.2
65.03925	3.9
66.36729	1.4
67.05494	73.5
69.07053	23.3
70.34811	6.3
71.04973	10.0
71.08639	1.4
79.05482	41.6
79.52404	1.3
81.03408	2.1
81.07045	100.0
83.04962	5.5
83.08607	17.6
85.06512	4.7
91.05460	32.0
93.07031	45.2
95.04948	6.4
95.08591	91.5
97.06509	18.6
97.10146	4.4
98.21423	1.6
99.08051	4.8
105.07014	25.3
107.08574	29.3
109.06458	3.2
109.10140	30.0
111.08056	2.8
111.11613	1.3
113.09644	2.5
117.06998	6.0
119.08563	26.1
121.06519	1.6
121.10121	18.3
123.08048	4.2
123.11678	10.8
131.07684	1.5
131.08522	9.8
133.10114	22.0
135.11679	19.1
136.57687	1.5
137.09534	1.7
137.13235	6.4
144.06888	1.4
145.10083	7.0
147.11658	6.3
149.09604	1.8
149.13235	9.4
151.11201	1.8
151.14737	1.3
157.10030	2.6
159.11667	7.8
161.13228	31.3
163.11150	1.5
163.14801	4.9
169.09976	1.7
171.11717	2.4
173.13242	4.6
175.14795	2.8
177.12793	1.9
179.14294	19.8
185.13223	1.8
187.14819	3.8
195.13708	4.4
201.16281	1.5
213.14673	1.7
243.21066	4.5
252.77507	1.4
253.17982	11.0
261.22128	22.3
269.17514	2.6
271.19022	15.2
279.23117	7.3
317.24692	4.8
335.25748	31.2
337.27316	4.1
353.26813	4.8
421.34702	1.8
439.35654	4.7
457.36926	9.5
475.37292	1.7
513.39154	5.4
531.40320	25.0
549.41882	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	549.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01866	5.9
55.05509	23.6
57.03428	10.3
57.07050	2.9
67.05495	67.4
69.07055	23.1
71.04979	8.9
71.47598	2.2
71.91548	2.2
79.05480	35.7
81.07042	100.0
83.04966	2.5
83.08618	13.1
84.84978	2.2
85.06518	4.8
91.05453	23.7
93.07027	41.6
95.04944	6.7
95.08591	81.5
97.06496	18.9
97.10140	4.2
105.07027	22.3
107.08560	23.2
109.06496	3.7
109.10139	19.6
111.08055	4.5
117.07024	4.9
119.08555	24.3
121.10119	18.2
121.72872	2.1
123.08045	3.8
123.11691	7.9
129.07008	2.9
131.08563	10.4
133.10124	23.7
135.11653	17.1
137.13234	5.0
145.10115	7.9
147.11664	10.2
149.13231	8.6
150.95883	2.2
157.10136	4.2
159.11644	7.3
161.13242	26.7
163.14801	4.8
173.13248	3.8
175.14804	4.2
179.14220	19.9
187.14865	4.0
195.13765	4.2
229.78349	3.1
243.21155	5.0
253.17896	16.7
261.22028	22.1
269.17407	4.0
271.18985	14.8
279.23102	5.8
335.25778	30.1
337.27615	3.5
353.26736	4.0
439.35510	3.7
457.36469	6.1
513.39331	4.0
531.40393	25.7
549.40802	9.0
549.48706	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	550.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08803	0.9
55.01859	1.2
57.03403	1.2
61.02906	1.4
69.03432	4.0
71.67846	0.8
74.45176	0.8
79.05482	0.8
81.03396	2.1
85.02896	15.5
89.03926	2.3
91.03926	0.9
95.01331	2.0
97.02861	3.5
99.04430	0.8
107.04934	2.4
113.62021	0.7
117.03354	2.9
121.02890	1.1
123.04375	2.0
127.03876	1.3
127.74514	0.9
131.04871	1.1
135.04401	10.6
138.03033	1.8
139.03896	4.1
141.01805	1.3
145.02812	7.1
145.04903	2.1
147.04402	4.2
149.02304	3.1
149.05936	1.4
153.05443	100.0
159.04448	1.5
161.06017	2.0
163.03882	97.2
171.04329	0.9
173.05966	1.0
175.03854	2.4
177.01851	3.6
177.03957	1.9
177.05466	3.4
179.03410	1.2
181.04976	4.5
187.03860	3.3
189.05426	3.0
191.03320	2.1
195.06502	45.4
201.05475	0.9
203.03365	48.7
205.04938	6.1
213.05440	1.6
215.03375	7.9
217.04858	0.8
229.04890	1.6
231.02840	6.5
233.04385	5.8
235.05753	1.0
247.05969	1.4
257.04410	1.5
259.06006	1.4
261.03903	6.9
275.05435	3.8
279.04944	14.0
291.04913	13.9
303.04932	2.5
321.06024	9.9
339.07068	52.8
353.08844	0.9
357.07843	1.2
371.09534	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	550.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.2
55.05495	0.2
56.05015	0.6
58.06602	0.4
60.08154	6.8
62.23022	0.2
65.00424	0.2
67.05473	0.5
69.03426	0.5
69.07067	0.4
69.96165	0.4
69.96591	0.6
70.06573	0.2
71.07365	2.8
75.17026	0.2
79.05492	0.2
81.03407	0.5
81.07050	0.4
83.04980	0.2
83.08561	0.2
85.02911	0.9
86.09692	31.2
91.05446	0.2
92.56567	0.2
93.07032	0.5
95.04949	0.2
95.08529	0.4
97.02870	0.5
98.98446	3.0
99.04437	0.2
104.10721	4.4
105.01762	0.2
105.06988	0.3
107.08574	0.2
109.02883	0.3
109.10101	0.2
119.08537	0.2
124.99983	21.1
127.03899	0.5
133.10104	0.2
143.01006	0.4
147.04416	0.2
148.36174	0.2
159.02831	0.2
184.07314	100.0
185.07597	0.4
258.11017	0.3
303.04947	3.2
351.12170	0.2
452.23892	0.7
532.30402	1.2
550.31317	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	550.313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.01863	0.3
55.05493	0.4
56.05028	0.4
56.98607	0.2
57.03086	0.2
57.03416	0.4
58.06606	0.5
59.07382	0.4
60.08152	6.6
67.05504	0.6
69.03400	1.0
69.07043	0.3
70.04572	0.7
70.04982	0.4
70.06566	0.3
71.07362	3.2
79.05470	0.6
81.03407	0.9
81.07040	0.6
85.02898	2.1
86.09692	32.2
87.00809	1.0
91.05486	0.4
92.16193	0.2
93.07011	0.4
95.04936	0.2
95.08614	0.5
97.02869	0.9
98.98448	3.1
99.04422	0.4
101.30898	0.2
104.10724	4.9
105.01852	0.5
105.07023	0.5
107.08584	0.4
109.02880	0.8
119.08628	0.2
121.10090	0.3
124.99980	22.3
127.03899	1.1
131.08499	0.2
134.06004	0.3
143.00978	0.4
145.04929	0.5
157.66103	0.2
159.02957	0.3
184.07314	100.0
185.07639	0.6
210.06702	0.8
225.09102	0.8
253.08479	0.7
258.10983	0.3
285.10965	0.6
295.09494	0.6
303.04996	3.3
327.12256	0.3
393.13028	0.4
411.45810	0.2
452.23898	0.5
479.71558	0.2
532.30121	1.0
550.31250	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09114	0.9
54.64085	0.8
55.05503	2.7
57.03423	1.3
59.64401	0.8
67.05497	8.4
69.03415	16.4
69.07060	5.0
69.34693	7.4
69.35114	3.0
71.04974	4.2
79.05477	5.4
81.03410	2.2
81.06577	0.6
81.07040	17.5
81.07484	1.5
83.04974	2.6
83.08598	0.9
85.02893	9.4
85.06523	2.8
91.05467	5.6
93.07033	14.9
95.04964	2.6
95.08588	16.6
97.02860	2.7
97.05956	0.9
97.06493	5.1
97.10121	1.4
99.04443	1.0
105.07012	13.4
107.08583	17.0
109.06494	4.2
109.10136	19.8
110.10425	1.0
111.08051	1.7
113.09633	5.4
117.07014	2.3
119.08567	12.8
121.06493	3.2
121.10126	31.3
123.08049	13.9
123.11689	14.2
124.37858	0.9
125.05960	1.5
125.09605	15.6
127.03924	2.2
129.06985	1.5
130.38077	1.1
131.08534	8.4
133.06461	1.2
133.10101	14.2
135.08051	4.0
135.11710	5.8
137.09596	9.2
139.11198	5.2
141.09074	2.3
143.08531	3.4
145.04993	1.5
145.10103	9.7
147.08020	3.8
147.11671	7.7
149.09590	15.5
151.11154	5.3
155.08484	1.4
155.10632	2.1
156.09352	1.5
157.10097	6.2
159.08018	4.3
159.11632	7.2
161.09602	7.7
161.13255	1.0
163.07504	1.1
163.11151	3.0
165.09097	2.7
165.71494	1.1
167.10654	9.7
169.10080	2.2
169.12241	1.4
171.11685	4.2
172.08847	1.1
173.09618	5.0
173.13213	5.5
175.11151	8.0
175.14766	1.4
177.09082	8.4
177.12704	1.4
179.10747	2.2
180.08624	1.4
183.11693	2.6
185.09583	1.2
185.11795	1.2
185.13297	3.4
187.11160	2.6
187.14815	6.0
189.12769	2.7
189.16324	1.3
191.10684	2.8
193.12206	1.9
195.10152	3.0
197.13295	3.4
199.11171	1.5
199.14825	2.9
201.12746	4.2
201.16342	2.6
203.14346	2.0
205.12231	1.6
209.13274	1.7
211.11226	1.1
211.14752	2.1
213.10970	1.8
213.12889	4.4
213.16382	3.2
215.14325	6.5
219.13786	2.4
225.12753	1.6
229.15837	4.2
233.15396	4.2
237.14853	1.1
239.17929	2.3
241.15829	2.1
244.23868	1.0
247.17038	3.0
253.19485	4.0
257.19183	1.9
257.22357	1.0
271.20471	9.0
275.20166	1.5
281.18973	7.0
289.21613	7.9
299.20010	25.4
303.04947	2.7
307.22589	1.2
317.17233	1.2
317.21063	46.1
318.21411	3.7
335.22113	100.0
336.22537	3.3
353.23172	22.0
354.23465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1023
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03937	2.5
55.01868	2.3
57.03424	1.4
61.02916	1.4
68.99780	1.5
69.03418	7.4
70.03899	0.4
70.04314	0.9
71.04965	1.0
73.02889	1.2
81.03405	9.7
82.50150	0.2
85.02892	12.6
87.00819	6.2
91.03934	0.7
95.04942	0.4
97.02877	4.6
99.04438	3.2
105.01847	3.2
109.02857	7.5
111.00782	1.3
115.03891	0.2
117.01830	0.9
121.02830	0.8
123.04400	0.6
127.03901	9.6
129.01805	0.5
135.04301	0.2
137.02324	3.8
137.03365	0.4
145.04938	2.8
147.02838	0.6
149.02342	0.4
153.01799	4.2
159.02872	4.1
163.03876	0.8
165.01819	2.5
166.02625	0.4
173.05957	0.5
183.02892	1.2
183.04282	0.3
187.03871	0.3
201.05441	2.1
211.03973	0.3
215.03494	0.3
219.06567	0.5
228.04137	0.3
229.04929	5.5
231.04948	0.9
239.03510	0.3
247.06000	0.8
257.04410	3.3
274.04633	0.9
285.03867	1.3
303.04944	100.0
304.05298	2.7
345.05887	0.3
375.24918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95205	0.2
51.70486	0.3
53.03938	1.6
55.01868	0.5
57.03421	1.2
58.43195	0.2
61.02930	1.4
65.03915	0.3
68.99784	0.7
69.03423	7.4
69.74668	1.9
70.06575	0.5
71.04999	1.3
73.02883	0.7
81.02958	0.3
81.03405	4.9
83.01315	0.3
85.02378	0.4
85.02891	6.9
87.00816	2.9
87.91595	0.2
97.02877	14.2
97.92986	0.3
99.04433	3.0
105.01868	1.6
108.34878	0.3
109.02873	3.1
111.00767	1.0
117.01806	0.3
121.02839	1.1
123.04431	0.4
125.62630	0.3
125.90926	0.2
126.37398	0.3
127.03899	4.8
137.02313	3.0
145.04941	5.2
153.01801	4.6
155.05005	0.3
159.02844	1.2
159.06180	0.3
163.03877	0.6
165.01863	2.0
165.03108	0.4
166.02602	0.3
173.06015	0.5
183.02855	1.0
183.04326	0.3
187.03825	0.3
191.03255	0.4
201.05431	2.1
219.06520	0.4
229.04913	4.5
231.05031	0.5
247.05841	0.6
250.24004	0.3
257.04416	2.8
274.04669	0.9
285.03931	1.4
285.12369	0.3
303.04950	100.0
304.05249	1.7
315.05087	0.5
330.41541	0.3
381.06238	0.3
389.12408	0.4
399.09332	0.3
520.20782	0.3
551.21887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19866	0.2
52.12191	0.3
53.03938	2.2
55.01858	1.9
57.03422	1.3
61.02919	1.2
63.21817	0.2
65.03929	0.3
68.99779	1.7
69.03417	6.5
71.01342	0.3
71.04971	1.1
73.02907	1.4
80.99123	0.2
81.03403	7.6
85.02890	11.0
87.00813	6.1
91.03925	0.5
91.98314	0.2
93.03388	0.3
97.02877	4.7
99.04443	2.9
99.12539	0.2
105.01846	2.8
109.02865	7.5
111.00781	1.2
114.89928	0.3
117.01841	1.1
121.02844	0.6
127.03890	8.6
129.01811	1.1
135.04361	0.2
137.02292	3.1
145.04930	2.7
147.02841	0.6
149.02292	0.4
153.01797	3.8
159.02852	4.3
161.05960	0.4
163.03871	0.6
165.01790	1.9
173.06017	0.3
183.02885	0.7
183.04434	0.3
195.02878	0.3
201.05414	1.8
229.04916	4.6
231.04976	1.0
247.06023	0.8
257.04385	2.4
270.27371	0.3
274.04675	0.8
285.01038	0.3
285.03793	1.5
303.04938	100.0
304.05215	2.0
325.45590	0.3
345.05954	0.6
381.92053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29625	0.5
53.03928	0.7
55.01855	0.7
55.56205	0.4
57.03419	0.8
59.78235	0.4
60.87626	0.4
65.70599	0.5
67.01852	5.7
68.99769	2.4
69.03416	2.5
70.95267	0.7
70.95602	0.9
73.02895	0.6
74.68042	0.4
81.03396	4.1
81.07038	0.7
83.01324	0.6
85.02884	4.4
87.00809	2.0
89.03902	1.7
97.02885	2.2
99.04456	1.0
105.01827	1.5
109.02854	2.4
109.10075	0.6
111.00833	0.6
111.04419	0.9
117.03360	4.4
119.04897	0.8
123.04395	1.2
125.02328	0.6
127.03910	3.9
129.01807	1.7
134.03613	0.6
135.04440	0.7
137.05957	2.8
145.02831	12.6
145.04893	1.3
149.04845	0.4
149.05957	1.6
151.03911	1.0
151.07524	4.1
153.01796	100.0
154.02159	0.7
155.41086	0.4
159.02863	1.6
163.03885	1.2
171.02858	34.0
177.05438	19.4
179.03360	8.2
191.06851	0.5
195.02827	1.9
219.02809	0.7
237.09984	0.5
285.07495	0.6
303.05124	5.3
303.08551	88.1
304.08902	1.3
334.08502	0.5
339.13281	1.1
367.12814	0.9
388.48691	0.5
401.07111	0.6
411.11047	0.5
464.62936	0.5
520.20697	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	551.2821
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.01863	0.5
55.05497	0.4
57.07075	0.3
63.54253	0.3
65.16018	0.3
67.05482	0.5
69.03416	0.7
69.48097	3.0
73.02910	0.4
79.05482	0.6
81.03394	1.4
81.07035	1.0
84.08160	0.3
85.02902	1.8
87.00814	0.7
91.05463	0.4
93.07008	0.4
97.02876	0.7
99.04483	0.4
105.01864	0.5
105.07024	0.5
107.08567	0.5
109.02851	1.0
119.08563	0.3
121.10118	0.4
127.03904	1.1
145.04919	0.5
145.10089	0.3
153.01813	0.5
159.02882	0.5
203.05254	1.0
229.04948	0.4
257.04361	0.3
259.07898	1.1
303.04971	11.9
304.05341	0.9
333.19135	0.8
375.20477	0.4
389.23053	1.6
478.06973	0.3
551.28210	100.0
552.28510	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	551.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.05489	10.0
56.86476	2.5
57.07060	6.7
61.29315	2.4
65.97483	2.3
67.05193	2.6
67.05498	29.7
69.07070	17.8
69.83745	13.2
69.84169	3.9
71.18874	2.1
79.05480	21.3
81.07042	39.4
83.08603	8.8
91.05460	39.5
93.07026	58.6
95.04961	6.4
95.08591	45.8
97.10112	3.0
98.20748	2.4
105.07011	67.7
107.08579	55.5
109.06522	4.3
109.10134	44.6
115.05447	2.9
117.06989	15.8
119.08557	100.0
121.10125	54.3
123.08040	3.3
123.11662	14.6
128.06229	4.4
129.06963	10.0
130.07788	7.0
131.08531	28.2
133.10112	61.7
135.11670	37.9
137.09584	4.3
141.06985	3.5
142.07741	11.0
143.08505	20.0
144.09276	5.6
145.10089	59.4
147.11667	22.1
149.13261	5.0
155.08566	11.3
156.09334	9.3
157.10095	39.5
158.10834	4.5
159.11676	37.9
161.13200	14.6
163.11171	3.2
167.08545	7.2
169.08833	2.5
169.10083	13.5
170.10863	4.7
171.11678	23.5
173.13200	20.7
175.14796	41.3
179.08574	4.4
181.10144	8.8
182.10887	5.9
183.11688	16.5
185.13235	16.3
187.14830	18.6
189.16359	5.3
193.10092	6.2
194.10890	4.5
195.11708	11.0
196.12498	4.4
197.13237	23.2
199.14777	8.6
201.16351	15.6
207.11659	8.0
208.12451	4.9
209.13145	18.1
211.14764	13.1
213.16373	6.5
215.17986	2.7
219.17360	3.2
221.13210	6.9
223.14787	13.0
225.16328	5.4
231.11581	2.4
233.13181	3.9
234.14063	3.5
235.14772	7.5
237.16347	6.6
239.17903	3.8
243.84296	2.1
245.13005	2.6
247.14813	5.4
249.16321	4.6
251.17986	3.0
253.19461	3.5
259.20520	2.8
261.16403	5.8
263.17908	2.7
265.19400	4.3
267.21176	7.0
275.17795	3.6
277.19370	3.0
279.21024	3.6
283.20670	5.3
285.21945	4.3
291.21127	2.7
345.25613	3.8
368.84027	2.6
429.31760	4.6
495.36075	3.3
533.41248	7.1
551.42303	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.2
55.05508	10.4
56.71261	1.1
57.03418	5.1
57.06798	2.1
57.07067	32.7
57.44098	1.0
59.03106	1.1
65.03924	1.2
67.05492	24.1
69.03410	2.4
69.07058	11.0
71.04961	3.4
71.08623	23.5
77.17168	1.2
79.05482	13.0
81.03404	34.0
81.07044	30.9
83.04960	4.6
83.08605	19.7
85.02888	17.8
85.06537	1.2
85.10182	12.8
91.05476	14.4
93.07027	7.9
95.04960	11.7
95.08590	25.6
97.06512	1.6
97.10149	10.1
98.20731	2.4
99.11700	1.6
105.07014	10.1
107.04925	2.9
107.08575	3.9
109.06498	2.2
109.10135	10.4
111.04439	1.4
111.08060	6.4
111.11699	3.4
119.08557	10.8
121.10103	5.0
122.80537	1.4
123.08035	1.4
123.11689	5.0
125.09605	1.2
129.07007	4.9
131.08571	5.2
133.06479	1.4
133.10141	3.9
137.13158	2.4
140.05540	1.2
142.07750	1.6
147.08003	2.5
147.11673	8.3
149.09599	2.8
157.10112	6.9
165.12706	1.3
175.11119	9.7
193.12219	37.2
211.13268	43.3
267.15948	3.0
267.26788	2.4
303.04987	2.0
341.30475	2.9
551.43005	100.0
552.43878	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95749	0.5
51.02885	0.5
53.03933	0.6
55.01846	0.8
67.05492	0.8
68.99753	0.5
69.03416	1.9
69.82400	3.9
70.03748	0.5
70.06586	2.9
71.04967	0.8
79.05469	0.8
80.05001	0.6
81.03407	3.0
81.07034	0.9
85.02898	3.2
85.03333	0.5
86.09697	0.6
87.00817	1.2
91.05489	1.1
93.07027	2.2
94.06543	1.6
95.07341	1.9
95.08595	1.0
96.08109	3.2
97.02892	2.7
99.04432	0.7
100.97118	0.5
108.08090	2.8
109.02856	1.1
110.09654	6.0
118.06602	0.9
120.04451	3.1
120.08072	4.1
124.07578	1.2
127.03880	2.3
128.04204	0.8
136.07541	3.4
138.09109	8.9
145.04945	0.9
148.07556	1.2
150.05499	0.7
152.07057	1.6
153.01846	1.1
159.02965	1.1
164.07100	0.8
165.01758	0.7
166.08601	7.2
174.59521	0.6
183.04504	0.5
184.09926	0.7
193.76863	0.6
194.08147	1.0
196.09856	0.7
206.08072	0.6
209.10770	0.6
211.12352	0.8
221.10721	0.7
223.08664	1.1
223.12280	1.0
224.09401	1.5
225.10098	2.6
226.11034	0.8
227.11792	1.0
229.04897	0.8
230.05229	1.3
235.08722	1.5
236.09474	1.1
237.10181	7.7
238.10995	1.4
239.08121	2.1
239.11638	3.4
241.09630	1.0
248.09261	1.3
248.42729	0.6
249.10182	5.4
250.10962	1.7
251.08018	3.2
251.11755	6.0
252.09013	0.9
252.12408	0.8
253.09648	5.5
255.11259	0.9
258.04868	0.7
261.10190	2.2
262.11121	1.4
263.08652	0.5
263.11713	2.8
265.09680	8.3
266.10349	1.0
267.11264	5.5
268.11835	1.0
271.10748	1.8
275.04956	0.8
277.09705	3.2
278.06815	0.7
278.10486	3.5
279.07727	3.1
279.11292	9.2
280.11993	2.0
281.09305	2.4
281.12781	1.7
282.09848	1.2
283.10815	5.1
283.13681	0.8
285.12387	1.5
286.12811	1.1
287.13965	1.4
289.09702	5.1
291.11276	1.8
293.09460	1.2
293.12839	3.7
294.09937	5.5
294.13043	0.9
295.10800	3.1
295.13693	0.6
296.11465	2.2
297.08868	0.8
297.12451	0.7
299.10251	1.9
303.04938	12.5
303.13306	1.6
304.05252	19.7
304.13644	2.8
305.05457	0.9
306.10001	0.9
307.10736	2.1
309.09027	0.7
309.12152	2.8
311.10281	5.8
311.13901	2.3
312.11008	2.0
313.11795	1.8
314.12576	1.3
315.13303	0.6
321.08597	0.7
323.10251	1.9
323.13812	1.3
324.10977	1.4
325.11792	1.7
326.12463	5.6
326.15811	0.7
327.13342	9.1
335.10236	7.9
337.12073	0.6
339.13318	49.0
340.10510	2.2
340.14090	1.1
352.10495	1.2
354.12051	4.2
355.12778	13.3
367.12830	32.8
368.13226	1.1
371.12381	1.2
386.14914	0.8
387.15457	1.6
399.15408	0.7
460.18552	1.6
462.79449	0.6
479.20331	2.2
488.18094	11.9
492.21085	5.1
520.20721	100.0
521.21381	3.1
552.23572	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	552.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01826	0.3
65.03914	0.3
67.01808	0.6
67.05453	0.7
67.20760	0.3
68.99749	0.5
69.03388	0.5
69.06994	0.3
71.42378	0.3
79.05473	0.7
80.04951	0.3
81.03359	0.9
81.07030	0.5
85.02837	0.9
87.00732	0.3
91.05415	1.1
93.05702	0.3
93.07020	1.9
94.06545	2.0
94.85628	0.3
95.04926	0.6
95.07340	1.8
95.08559	0.5
96.08111	3.8
97.02835	0.3
97.06489	0.3
103.05427	0.5
108.04379	0.5
108.07486	0.3
108.08091	3.8
109.02787	0.6
109.06433	0.3
109.10143	0.4
110.03130	0.3
110.09660	6.6
117.03278	0.5
118.06496	0.4
120.04446	3.5
120.07303	0.3
120.08077	4.3
122.05967	1.2
122.09622	0.5
123.06758	0.5
124.07510	0.9
127.03872	0.5
132.08031	0.4
136.06577	0.3
136.07545	3.7
137.05904	0.3
137.08253	0.5
138.09116	9.9
145.02777	1.1
145.04958	0.3
146.03104	0.5
146.05936	0.7
148.07555	1.7
150.09047	0.8
152.07007	1.1
152.10641	0.8
153.00648	0.5
153.01799	7.7
154.01091	0.3
154.02145	3.2
162.09140	0.3
164.07030	1.1
166.07310	0.5
166.08609	8.5
171.02875	3.2
172.03180	1.1
176.10663	0.5
177.05453	1.7
178.05811	0.7
179.03326	0.7
180.03642	0.4
180.10147	0.7
182.09776	0.2
182.11691	0.5
184.09856	0.3
186.05452	0.3
188.07083	0.3
192.06592	0.4
194.08073	1.3
195.02821	0.4
196.09792	0.4
197.10614	1.0
198.11388	0.3
209.10686	0.9
210.11383	0.3
211.08510	0.6
211.12135	0.7
212.09366	0.9
213.10127	1.0
215.11676	0.4
221.10675	0.4
222.11406	0.3
223.08612	1.8
223.12210	1.0
224.09363	1.4
225.10194	3.5
226.10904	0.7
227.08171	0.4
227.11688	0.9
233.10605	0.8
235.08626	2.0
235.12221	0.5
236.09326	1.5
237.10184	8.4
238.10930	1.9
239.08179	1.6
239.11748	4.8
241.09612	1.0
241.13206	0.3
245.12654	0.5
248.09235	1.6
249.10190	5.7
250.10913	2.4
251.08087	3.6
251.11731	6.6
252.08884	0.7
252.12489	1.1
253.09644	5.6
253.12265	0.4
253.13449	0.4
254.10416	0.7
255.11183	0.8
259.14200	0.3
261.10165	3.1
262.10922	1.0
263.08139	1.0
263.11697	3.4
264.08826	0.8
265.09683	9.5
265.12836	0.4
266.10538	1.5
267.08105	0.5
267.11224	5.3
267.14322	0.4
268.12015	0.8
269.09241	1.0
269.12735	0.6
271.10812	1.8
273.12366	0.6
275.53470	0.3
276.09070	0.3
277.09668	3.1
278.06961	0.6
278.10443	4.3
279.07632	3.3
279.11224	10.1
280.12131	1.8
281.09155	3.0
281.12766	1.9
282.09879	1.1
283.10721	7.4
285.12338	1.0
287.13876	1.5
289.09653	6.4
290.10483	0.8
291.07806	0.4
291.11090	2.4
292.08160	0.6
292.11826	0.6
293.09149	2.3
293.12793	4.7
294.09924	4.8
294.13153	0.4
295.10739	3.8
295.14099	0.5
296.11533	2.4
297.08755	0.8
297.12335	1.6
298.09445	0.5
299.10272	2.1
303.05197	0.5
303.08481	3.4
304.05276	1.2
304.08792	6.2
305.09192	0.5
306.09827	1.7
307.10663	2.3
308.11398	1.3
309.08914	0.5
309.12213	2.4
310.13266	0.6
311.10205	6.3
311.13821	1.8
312.10956	2.9
313.11719	1.9
314.12466	1.9
317.09113	1.0
321.08521	0.6
321.12210	0.7
323.10178	1.1
323.13913	1.2
324.11017	1.7
325.11743	1.4
326.12552	4.5
327.13333	8.0
328.14111	0.4
330.15683	0.4
335.10196	7.1
336.10992	0.4
337.08237	0.4
337.11752	1.2
339.13330	50.2
340.10464	2.7
340.13702	0.5
352.10516	0.8
353.11356	0.9
354.12057	3.5
355.12811	14.8
356.13419	0.3
358.15378	0.6
367.12827	32.2
368.13150	0.7
371.12396	0.6
374.14838	0.3
386.14490	0.7
387.15408	1.1
399.15579	0.6
436.18561	0.7
444.18881	0.5
447.17905	0.4
451.20990	1.0
460.18661	1.5
479.20459	2.3
488.18094	13.6
489.18320	0.3
492.21268	5.2
502.19391	0.6
520.20709	100.0
521.20966	2.3
538.21881	0.6
552.23218	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63620	0.4
53.03931	0.6
55.01860	0.6
57.03431	0.3
66.85702	0.4
67.05500	0.9
69.03398	1.6
69.03741	0.4
69.07057	0.7
70.06576	1.4
71.69560	0.6
79.05486	0.9
81.03417	1.4
81.07034	1.4
82.06573	0.6
85.02886	2.8
87.00813	0.8
91.05472	1.4
93.05768	0.6
93.07027	2.3
94.06561	2.7
95.04964	0.7
95.07362	1.9
95.08587	1.3
96.08105	4.0
97.02874	1.0
97.27451	0.4
99.04458	0.5
105.01826	0.5
105.07033	0.7
106.06507	0.4
107.08557	0.6
108.08105	4.8
109.02833	1.3
109.06519	0.6
109.08878	0.9
109.10136	0.8
110.03218	0.5
110.09673	6.6
117.06981	0.5
117.61658	0.4
120.04433	3.0
120.08098	5.5
121.06487	0.5
121.10129	0.8
122.06023	1.1
122.09655	1.1
123.04400	1.4
123.06766	0.5
123.11702	0.8
124.07606	2.0
127.03905	1.3
128.04256	0.6
132.08057	0.7
136.07553	6.5
137.05980	0.6
138.09117	10.0
138.10150	0.6
145.10127	0.6
146.06015	0.6
147.04352	0.6
148.07582	1.4
150.05371	0.6
150.09145	0.9
151.03889	3.0
152.04245	1.5
152.07018	2.7
152.10681	0.9
162.05498	0.6
163.03893	0.6
164.07083	1.7
166.08601	9.3
172.03979	0.8
177.07770	0.7
180.10172	0.6
182.11855	0.6
186.05489	0.5
190.04904	0.5
192.10147	0.4
194.08081	2.8
196.09737	1.3
197.10684	1.6
204.06590	1.6
209.10789	0.8
210.11494	0.8
211.08707	0.6
211.12331	0.7
212.09441	1.5
213.10277	0.8
219.10136	2.3
220.10527	2.3
221.10742	1.1
223.08704	1.9
223.12270	1.6
224.09457	1.5
225.10240	3.9
226.10974	0.9
227.11734	0.8
233.10823	0.6
233.15509	0.5
235.08650	1.5
235.12227	0.5
236.09344	1.8
237.10193	7.6
238.07501	0.4
238.10968	1.9
239.08171	1.9
239.11797	5.4
241.09709	1.7
245.12943	0.8
247.08505	0.5
248.09319	1.5
249.10187	6.7
250.10872	2.3
251.08046	3.3
251.11746	6.1
251.16425	0.5
252.08929	1.2
252.12538	0.7
253.09698	4.9
254.10510	0.9
255.11270	0.8
261.10135	2.2
262.10977	0.9
263.11838	2.3
264.08954	0.4
265.09665	8.2
266.10532	1.7
267.11234	4.8
268.12183	1.0
269.09286	0.7
269.12585	0.6
271.10684	3.0
277.09622	2.6
278.10425	4.3
279.07672	3.8
279.11282	9.3
280.08560	0.9
280.12012	1.8
281.09213	2.6
281.12799	1.9
282.10031	1.6
283.10742	7.6
283.13882	0.8
284.11237	0.7
285.07605	0.6
285.12381	1.6
286.07935	0.7
286.12860	0.8
287.13791	3.4
289.09631	3.5
290.10355	0.5
291.11185	2.1
293.09201	2.8
293.12851	4.2
294.09897	4.3
295.10770	2.7
296.11514	2.8
297.08633	1.1
297.12277	2.2
299.10342	1.6
303.04889	3.8
304.05334	6.9
304.13995	0.5
306.09787	1.3
307.10687	1.7
308.11588	0.9
309.08929	0.7
309.12155	2.8
311.10251	6.5
311.13831	1.2
312.11011	3.1
313.11731	3.2
314.12573	2.3
315.13263	0.5
317.08899	0.6
321.12427	0.5
323.10199	1.1
323.13858	1.0
324.11121	1.9
325.11813	3.0
326.12604	5.1
327.13354	10.5
327.16980	0.8
328.14044	0.5
335.10165	5.4
337.11810	1.1
339.13342	46.2
340.10614	2.1
340.14014	1.0
352.10388	0.9
353.11288	0.8
354.11978	2.2
355.12814	7.5
357.14365	0.8
358.15500	0.5
367.12833	16.1
369.14441	0.7
371.12262	1.2
371.15970	1.1
372.15509	1.2
373.15488	0.5
374.15356	0.7
385.13889	0.7
386.14413	2.7
387.15381	4.5
390.18652	0.7
399.15439	6.0
446.16895	0.5
451.20663	0.9
460.18451	0.9
479.20505	2.6
488.18069	4.1
492.21201	3.5
502.19867	0.9
520.20728	38.7
521.21313	0.9
524.23962	1.2
534.22101	0.7
542.73285	0.5
552.23309	100.0
553.23834	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	552.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78490	0.5
53.03921	0.7
55.01863	0.6
55.05504	0.9
56.48088	0.4
57.03423	1.4
57.07063	0.8
59.05011	0.5
60.08152	0.6
61.02917	1.2
66.54700	0.4
67.05495	2.3
68.99783	1.1
69.03416	5.6
69.07059	2.2
69.98835	3.0
70.06576	1.1
73.02884	1.3
79.05462	1.4
81.03403	2.7
81.07047	7.5
83.04962	0.8
83.08595	0.7
85.02895	10.7
85.06489	0.6
86.09702	2.3
87.00817	25.2
87.04444	3.5
91.05470	1.5
93.07024	4.0
95.04944	1.7
95.08604	4.1
97.02879	100.0
97.06488	0.7
98.03201	0.7
98.21411	1.0
99.04421	0.6
104.08952	0.4
105.01848	15.1
105.07021	2.6
107.04971	1.0
107.08562	3.0
109.02843	1.6
109.06479	1.3
109.10134	2.0
110.10525	0.5
111.04451	1.0
111.08096	0.8
115.03934	3.1
119.08585	2.6
121.10133	2.3
123.04379	0.7
123.08015	0.7
123.11705	3.2
124.99970	1.7
127.03867	2.4
127.58530	0.5
129.01852	0.5
131.08562	1.5
133.04974	0.5
135.08104	0.6
135.11697	1.6
137.05998	1.6
137.09573	0.6
137.13217	2.6
139.07341	0.5
143.08545	0.6
145.04945	1.5
145.10089	1.1
147.11681	1.0
149.13232	0.9
157.10165	0.9
159.02916	1.3
159.11705	0.9
165.09128	0.7
165.12773	1.5
167.07137	0.5
173.09636	0.5
173.13179	0.6
177.03944	0.9
177.12863	0.5
184.07303	8.0
185.13176	0.8
201.03915	38.0
203.14378	1.1
206.08081	0.6
215.14249	0.8
219.04985	9.3
221.15349	0.9
233.15317	1.5
236.07628	1.4
251.16377	1.1
259.08234	0.7
281.17462	0.6
286.22754	0.5
303.05002	2.7
304.05304	5.1
311.18552	0.7
325.16464	0.9
337.16562	1.2
345.08203	5.3
355.17621	0.8
363.09323	0.9
473.66708	0.5
516.33136	0.6
534.34161	0.9
552.35284	1.8
557.88763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98066	0.2
55.05502	0.3
56.05022	0.4
58.06351	0.2
58.06608	0.6
60.08153	6.6
60.59642	0.2
60.69165	0.2
61.82766	0.2
67.05481	0.4
70.06554	0.2
70.46784	0.7
71.02094	0.2
71.07361	3.0
79.05465	0.6
81.07032	0.3
85.02859	0.2
86.09689	31.6
88.50137	0.2
91.05487	0.3
91.91775	0.2
93.07024	0.3
95.08604	0.2
98.98444	3.0
104.10725	3.6
107.04934	0.2
124.48902	0.2
124.99982	20.3
133.05641	0.2
143.00978	0.3
184.07309	100.0
185.07611	0.5
201.72263	0.2
258.11133	0.4
303.04932	0.5
304.05231	0.5
330.81046	0.2
436.23953	0.3
446.22598	0.5
464.24265	2.1
499.35150	0.2
515.29480	0.2
518.32434	1.3
552.28577	0.9
553.29773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.7
57.03410	0.3
58.06589	0.5
59.52675	0.2
60.08154	6.5
61.83634	0.2
67.05476	0.6
69.03421	0.4
69.07047	0.3
70.06558	0.6
71.07365	3.3
71.70029	0.5
79.05464	0.4
81.03413	0.6
81.07027	0.8
83.04924	0.2
83.08572	0.3
85.02887	0.4
86.09691	31.8
91.05450	0.3
93.02604	0.3
93.07011	0.4
95.08595	0.3
95.58914	0.3
98.98444	3.1
104.10725	6.0
107.04975	0.3
119.08550	0.3
121.10065	0.3
124.99986	21.9
127.03902	0.4
143.00943	0.3
145.04984	0.3
146.71822	0.3
184.07315	100.0
185.07687	0.6
283.63284	0.3
303.04871	1.5
304.05307	1.5
328.53809	0.3
387.04077	0.2
452.24060	1.0
510.40808	0.3
522.05566	0.3
534.31769	1.4
552.32837	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	552.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05012	0.5
57.03403	0.3
58.06609	0.4
60.08154	6.6
61.02888	0.2
66.26020	0.2
66.73069	0.2
67.05483	0.4
69.03404	0.3
69.07050	0.3
70.06589	0.3
71.04951	0.3
71.07359	2.9
79.05486	0.3
81.03401	0.5
81.07037	0.7
82.03733	0.2
85.02889	0.8
86.09692	30.9
87.59000	0.2
91.05478	0.4
93.07009	0.3
94.30676	0.2
95.04957	0.3
95.08582	0.2
96.08916	0.2
97.02885	0.2
98.98451	3.2
104.10723	4.1
104.55646	0.2
105.06981	0.3
107.04948	0.5
109.02898	0.3
119.08507	0.4
121.06432	0.3
124.99984	20.5
127.03942	0.5
143.01053	0.3
163.48573	0.2
184.07317	100.0
185.07649	0.7
243.50610	0.2
258.11014	0.2
273.11188	0.3
303.04846	0.7
304.05322	1.6
358.72391	0.2
452.23740	0.5
474.72516	0.2
519.50293	0.3
534.31793	1.6
552.32770	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	552.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43119	0.1
55.05498	0.3
56.05031	0.7
56.05267	0.1
57.03440	0.1
58.06622	0.5
59.05613	0.1
59.07396	0.2
60.08156	6.9
67.05497	0.3
69.03407	0.2
69.07072	0.1
69.61851	0.7
69.62265	0.2
70.06573	0.2
71.07363	3.4
79.05502	0.2
81.03418	0.2
81.07044	0.5
83.08607	0.2
85.02888	0.1
86.09694	32.3
87.00755	0.1
91.05465	0.4
93.07047	0.3
95.08615	0.3
98.98447	2.9
98.99078	0.2
104.10728	6.0
105.07040	0.2
107.04927	0.2
107.08615	0.1
119.08572	0.2
124.99986	22.4
127.03883	0.1
137.05981	0.1
143.01022	0.3
149.02457	0.1
163.06169	0.1
166.02571	0.2
184.07318	100.0
185.07614	0.4
186.74899	0.1
258.11047	0.3
303.04868	0.3
304.05267	0.7
434.22513	0.1
452.23972	0.9
516.30573	0.2
523.29077	0.1
524.21136	0.1
534.31921	1.3
552.32916	3.1
553.15393	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	553.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01854	1.1
55.05504	2.7
57.03418	1.1
60.92998	0.9
67.05495	3.4
69.03414	5.8
69.07057	1.6
69.94476	1.5
69.94890	3.5
70.06571	3.1
71.04980	1.4
79.05481	3.4
81.03405	7.7
81.07045	6.7
83.04984	0.9
85.02894	8.0
85.06527	1.1
87.00821	1.8
91.05481	6.4
93.07026	6.1
94.06573	1.2
95.04953	3.4
95.08603	4.3
96.08121	1.8
97.02884	3.8
97.06502	1.8
99.04436	2.3
103.05426	1.4
105.01887	1.7
105.07001	4.9
107.04951	1.3
107.08595	3.6
109.02855	2.9
109.06484	2.0
109.10135	4.7
110.06041	3.4
117.06999	0.9
118.06539	3.1
119.08575	2.9
120.08088	56.6
121.10139	3.3
122.06010	1.4
123.04414	0.9
123.08045	1.2
123.11685	2.5
124.07573	46.5
127.03882	6.3
131.08487	1.1
133.10107	2.9
134.05997	2.2
135.11702	2.6
136.07556	6.2
137.05962	2.9
137.09648	1.4
138.05475	2.1
139.03889	0.9
140.07091	1.0
142.08598	4.2
143.08531	1.1
145.04985	1.0
145.10074	1.8
146.05983	5.1
147.11610	1.1
148.07588	2.8
149.13301	1.0
150.09113	1.4
151.03929	1.3
151.11261	1.2
159.02937	1.2
159.11700	2.1
161.05943	1.3
161.09666	1.3
161.13249	1.1
163.03818	1.0
164.07042	100.0
166.08649	3.2
167.06969	1.7
199.14699	0.8
213.03989	1.5
224.07550	0.8
241.09668	1.1
241.13322	1.6
261.15927	39.6
262.16125	1.1
269.12848	12.6
287.13864	31.8
292.37241	0.9
303.04980	3.2
304.05328	2.8
305.05502	2.2
305.14908	78.4
306.15451	1.1
349.25729	1.0
391.20728	3.1
489.29236	1.0
521.20660	1.1
553.25623	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	553.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01851	2.0
55.05497	4.4
56.68659	1.0
57.03422	1.3
59.05006	1.3
61.65342	1.1
65.03926	1.5
67.05499	6.6
68.35506	1.1
69.03422	8.9
69.07062	6.0
70.06577	5.5
70.29941	2.1
70.30341	3.2
70.37184	1.2
71.04969	2.5
72.08132	1.3
73.02901	1.6
79.05473	7.5
81.03397	9.2
81.07042	13.6
83.04969	2.9
83.08589	2.4
85.02884	11.6
85.06537	2.5
86.09715	1.9
87.00809	2.9
91.05461	8.0
93.07028	11.3
94.06560	2.1
95.04949	5.1
95.08589	9.8
96.08139	2.0
96.08901	1.2
97.02883	6.0
97.06511	2.1
97.10146	1.7
99.04450	3.8
100.11255	3.3
103.05404	1.2
105.01855	1.6
105.07000	7.3
106.06478	1.6
107.04974	2.7
107.08571	9.5
109.02839	5.2
109.06523	2.5
109.10135	6.5
110.06047	4.0
111.04448	1.8
111.08047	1.9
111.57511	0.9
117.07008	1.3
118.06534	4.5
119.08580	4.5
120.08085	62.7
121.06468	1.9
121.10099	5.2
122.05994	2.0
122.09700	2.0
123.04437	1.3
123.08025	1.5
123.11712	3.6
124.07571	48.7
125.09615	1.1
127.03891	8.5
131.08553	2.5
133.06442	1.2
133.10136	3.5
134.06030	2.0
135.08031	2.5
135.11670	3.5
136.07561	7.5
137.05946	4.4
137.09587	2.7
138.05458	2.0
139.03915	1.3
140.07051	1.4
142.08624	6.4
143.08498	1.6
144.68234	1.4
145.10104	3.2
146.05983	5.7
147.11719	2.6
148.07547	2.9
149.13225	3.4
151.03905	1.3
151.11128	1.2
157.10097	1.7
159.02910	2.3
159.08083	1.8
159.11658	4.2
161.05916	2.0
161.13248	1.7
163.03896	3.8
164.07040	100.0
165.07283	1.2
166.08679	2.8
167.07047	1.5
171.11737	1.9
173.13271	1.6
182.15396	3.2
203.18094	1.7
210.14857	2.0
213.03917	2.3
233.19052	1.4
241.13525	1.3
259.14206	1.2
261.15948	43.9
261.18704	2.2
269.12854	11.1
283.18964	1.2
285.12280	2.1
286.12595	2.3
287.13849	28.9
287.19940	2.6
287.23254	1.1
303.05075	3.6
304.05356	3.6
305.05511	4.7
305.14890	89.2
305.24506	2.1
306.15317	1.3
391.21185	5.9
492.13278	1.3
521.20935	2.2
535.18805	1.8
535.29419	1.4
552.41321	1.6
553.25092	4.3
553.41174	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	553.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01856	1.3
55.05503	13.2
57.03419	2.0
57.07074	5.2
61.02901	3.2
63.42583	0.7
65.03914	3.7
67.05495	46.5
68.99781	5.1
69.03085	1.0
69.03419	9.6
69.07059	20.0
69.63850	6.9
70.06577	1.2
71.04984	13.1
71.08615	2.4
73.02885	1.4
73.06523	0.9
79.05480	10.4
81.03413	14.3
81.07043	52.8
83.01337	0.8
83.04967	2.3
83.08606	12.6
85.02887	10.1
85.06520	2.3
86.09691	1.0
87.00810	6.5
91.05475	8.2
93.07030	17.6
95.04955	37.0
95.08591	60.6
96.08913	1.0
97.02881	11.4
97.06496	2.6
97.10146	6.2
98.03138	1.2
99.04418	3.8
99.08084	6.6
104.10713	1.4
105.01849	2.5
105.07011	12.1
107.04970	1.3
107.08572	23.9
109.02871	10.0
109.06512	5.1
109.10139	100.0
110.10487	1.3
111.04437	1.8
111.08057	3.1
111.11694	2.7
113.09608	1.0
117.07009	2.5
119.08559	11.5
121.06470	3.2
121.10126	19.9
123.04409	1.8
123.08047	3.4
123.11689	23.6
125.09626	3.1
125.13230	3.4
127.03886	14.8
127.11197	5.0
127.11948	0.8
129.01828	4.3
129.06999	1.7
131.08568	4.0
133.10107	6.9
135.08063	5.7
135.11676	17.8
137.05940	1.7
137.09573	2.8
137.13228	14.9
139.07452	0.8
139.11143	3.0
141.12715	2.7
142.07709	1.1
143.08528	3.2
143.10609	2.2
145.10060	9.1
147.02821	2.9
147.08037	2.0
147.11670	8.7
149.05974	1.4
149.13231	11.6
151.03889	1.5
151.11177	1.5
153.12715	5.5
157.10100	4.2
157.12228	1.0
159.02840	1.0
159.08063	1.2
159.11609	4.7
161.09584	1.3
161.13222	4.7
163.07544	1.2
163.11122	1.6
163.14742	3.8
165.08974	0.9
165.12703	4.6
171.11668	2.9
173.06023	1.0
173.09618	1.0
173.13214	2.9
175.11119	2.1
175.14790	3.6
177.05450	1.0
177.09099	1.5
177.12718	1.5
177.16367	7.8
181.15926	0.9
183.11823	0.9
185.13293	1.6
187.14813	2.5
189.16331	3.4
191.06987	1.6
191.14331	6.0
191.17903	1.8
195.17442	2.7
199.14734	1.6
201.03862	2.3
201.16319	6.1
203.07068	1.1
203.17905	2.4
205.19490	2.6
211.14871	0.9
213.03873	2.7
213.16356	2.0
215.17975	1.7
217.08719	0.8
217.12212	1.1
217.19505	1.4
223.20406	1.5
231.04901	1.9
241.08452	0.8
242.08873	0.9
245.19087	1.1
245.22609	1.4
259.24045	4.3
263.23633	3.8
269.22586	2.7
277.25217	10.6
287.20023	6.1
287.23636	5.4
305.21481	1.1
305.24683	28.6
367.26160	1.6
395.25766	2.4
413.27075	1.0
473.75436	1.0
535.28314	1.1
553.30530	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	554.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
54.41854	1.2
55.01864	10.9
57.03429	8.5
60.08155	1.6
61.02930	7.1
67.01848	1.3
67.05489	2.0
68.99757	3.9
69.03416	39.6
69.07029	1.4
70.06576	1.2
70.93887	1.8
70.94251	3.8
71.04975	6.9
71.07352	1.3
73.02902	10.0
79.05463	3.9
81.02944	2.5
81.03403	42.2
81.07034	1.9
83.01314	2.3
85.02891	100.0
85.51402	1.1
86.09689	6.8
87.00813	33.7
91.03928	3.2
91.05460	10.8
93.07021	2.1
95.04929	3.8
97.02872	37.3
99.04432	18.2
103.03910	1.4
103.05433	3.0
104.10742	1.6
105.01134	1.5
105.01842	24.9
105.07009	10.5
105.11862	1.1
107.08544	1.2
108.04438	2.8
109.02859	39.8
115.03932	1.6
117.01861	6.1
117.05491	1.3
119.04939	8.7
119.08541	2.4
120.05666	1.8
121.06494	2.8
122.03654	3.7
123.04465	1.5
124.99966	4.2
127.03891	69.9
129.01810	4.7
131.04901	1.2
135.07985	4.2
136.05206	1.4
137.05949	89.8
145.04918	29.3
147.02859	3.0
150.06754	2.4
151.06361	2.0
151.07523	38.2
153.09079	5.6
159.02856	26.4
161.05919	3.0
165.09084	47.2
175.07498	5.4
179.06972	2.8
184.07318	22.5
185.07616	4.2
186.07741	3.7
189.03755	1.2
189.09116	2.0
193.08528	1.4
203.06915	2.3
203.10526	1.5
213.03918	2.5
213.38683	1.2
227.07028	2.8
231.04977	8.9
245.07930	1.4
245.97444	1.4
249.08878	1.1
255.10118	2.1
285.11234	2.5
289.14288	84.7
297.11295	2.3
299.12750	7.8
301.14304	15.2
311.12674	2.2
313.14285	16.8
315.12128	1.8
325.14194	1.5
331.15359	28.2
351.15955	1.7
355.15350	20.2
361.13654	1.6
379.15338	12.7
397.16455	29.4
483.16299	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	554.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01865	1.1
55.05492	4.0
57.03417	0.7
57.07049	1.1
61.02899	2.0
67.05484	2.0
69.03416	4.5
69.07057	6.8
69.56865	1.3
69.57271	3.8
70.06567	1.7
71.04963	1.8
73.02881	0.7
77.03922	0.5
79.05476	3.1
81.03379	1.5
81.07040	11.6
83.04978	0.7
83.08604	6.5
85.02888	19.2
85.06516	1.9
91.03926	0.9
91.05463	1.6
93.07027	8.4
95.04951	0.8
95.08590	22.2
97.02866	5.7
97.10165	3.5
98.20709	1.1
98.50717	0.5
99.04433	1.3
99.08073	8.6
105.06996	2.6
107.04893	0.6
107.08573	24.6
108.08890	0.7
109.02866	2.1
109.06472	0.6
109.10125	6.2
109.99149	0.6
111.08063	4.9
113.09611	1.6
119.08542	1.5
121.10121	40.7
123.11680	1.9
125.09631	3.5
127.03880	5.5
133.10112	0.8
135.11674	8.7
137.09616	1.4
137.13214	4.1
139.11162	0.9
145.04938	6.2
149.13301	2.9
163.05959	3.4
177.16353	100.0
178.16685	2.1
180.69049	0.6
195.17410	19.6
198.59654	0.6
201.11163	0.6
213.18457	35.4
214.18761	0.7
235.16824	0.8
248.79677	0.6
313.11426	0.8
339.21161	0.7
374.14322	1.1
375.23798	0.7
378.62881	0.6
442.55850	0.6
556.01971	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.9
55.05462	1.7
57.00034	0.8
58.79480	0.7
65.73189	0.7
67.05438	2.9
69.03369	2.6
69.07009	2.2
69.65585	5.9
71.04935	1.4
79.05427	1.9
81.03363	2.1
81.07043	10.6
83.04915	1.1
83.08571	1.0
84.08069	0.7
85.02889	3.2
85.06461	1.5
87.00774	1.3
91.05424	0.9
93.07007	4.0
95.04889	1.2
95.08595	5.6
97.02853	1.7
99.04402	1.3
104.70854	0.7
105.01835	0.8
105.06942	2.9
107.08570	5.0
109.02804	2.1
109.10137	7.0
111.04391	0.7
111.08011	1.0
119.08485	2.1
121.10069	2.4
123.11708	7.7
125.03117	0.6
126.09087	2.0
127.03870	3.5
133.06459	0.9
133.10092	1.9
135.11641	1.7
137.09531	0.7
137.13206	0.9
143.08492	0.7
145.10098	1.3
147.11690	1.3
149.13168	1.7
151.11169	1.4
153.12755	0.8
157.10030	1.2
159.11688	0.8
161.13098	1.0
163.11069	0.9
169.12155	0.8
171.11545	0.9
201.16583	0.8
206.30325	0.7
266.26712	0.8
289.25079	1.1
393.22418	100.0
394.22705	2.5
555.27710	87.3
556.27893	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.5
55.01850	8.8
55.05505	14.7
57.03419	5.1
57.07047	6.1
61.02903	4.1
62.10993	2.1
66.84927	1.9
67.05490	26.9
68.81809	1.8
68.99754	5.0
69.03419	41.3
69.07051	42.0
70.92636	2.0
71.04971	10.9
71.08614	3.0
71.69962	1.8
71.70435	3.7
73.02901	3.6
76.70501	2.0
79.05489	15.4
81.03397	34.3
81.07041	100.0
83.04953	6.9
83.08593	9.0
85.02888	58.8
85.06503	5.7
85.67175	2.1
87.00815	22.8
91.03980	3.1
91.05453	17.6
93.06427	2.9
93.07023	46.6
95.04941	10.8
95.08002	4.1
95.08590	72.4
95.09200	3.9
97.02881	21.2
97.06503	13.0
97.10123	6.3
99.04442	12.9
99.08101	2.3
101.47742	2.2
105.01847	12.0
105.07000	26.8
107.08572	45.3
109.02865	24.7
109.06485	11.4
109.10134	40.8
111.04411	2.2
111.08055	21.7
111.11687	7.4
115.03879	3.9
116.88632	2.5
117.01798	2.6
117.07002	2.6
119.08569	17.4
121.06437	2.1
121.10113	20.2
123.04404	2.3
123.08021	5.3
123.11689	35.1
125.09560	4.0
127.03883	45.5
127.11095	3.7
129.01790	3.8
131.08533	4.1
133.06517	2.1
133.10110	21.0
135.08002	4.1
135.11673	13.6
137.09590	4.2
137.13231	18.6
139.11169	16.6
143.08545	3.5
145.04938	14.5
145.10046	9.5
147.11676	13.1
149.09465	2.0
149.13226	15.8
151.07521	3.3
151.11153	51.9
151.14720	2.6
153.12726	4.9
155.08450	2.3
157.10083	3.0
159.02869	12.1
159.08000	2.3
159.11676	8.5
161.09607	3.1
161.13223	9.6
163.11252	2.8
163.14798	7.1
165.12709	10.0
169.12204	9.5
173.13234	8.7
175.14816	5.8
177.12817	2.8
177.16342	4.3
181.15744	2.0
187.14807	4.1
189.03969	2.3
189.16330	5.1
191.17868	3.6
201.16292	2.9
203.17877	4.5
205.15762	4.1
207.17435	3.7
213.03920	9.2
215.17918	6.0
229.19551	2.7
231.04944	9.4
245.22751	2.1
259.24243	2.6
271.24197	10.6
277.14148	2.1
277.25266	8.3
289.25177	38.2
307.26236	40.2
331.26340	2.7
348.78955	2.7
393.22351	8.8
397.27518	3.3
509.14749	2.4
519.28937	4.1
537.30261	2.7
555.26514	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	555.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05504	13.9
57.07062	5.9
67.05495	25.5
69.03417	17.9
69.07060	17.9
70.02668	17.7
70.06581	5.8
71.04980	14.1
71.53127	2.9
73.06548	3.1
79.05477	13.6
81.03398	4.6
81.07040	70.2
83.04498	5.3
83.04962	45.1
83.05431	5.2
83.08595	5.1
84.08115	3.5
85.02879	11.6
85.06527	28.5
91.05458	16.8
93.07030	41.7
95.04955	29.9
95.08576	40.6
97.06509	10.7
99.04427	4.5
99.08069	12.2
105.07012	38.2
107.04939	3.0
107.08559	35.4
109.02844	4.2
109.05726	2.5
109.06474	11.5
109.10143	31.8
111.08062	20.4
113.05986	23.1
115.07517	4.0
117.07048	3.4
119.08566	34.5
121.10127	32.7
123.08043	6.7
123.11662	24.8
125.09602	9.1
127.03887	6.6
127.11144	2.6
131.08537	13.0
133.10132	22.8
135.11667	16.9
137.09581	17.5
137.12221	2.5
137.13252	8.2
139.11163	10.4
143.08519	6.9
145.10117	18.1
147.11665	40.4
149.09729	3.7
149.13272	6.9
151.11162	9.3
153.09117	3.3
155.10635	9.5
156.09317	3.4
157.10088	14.8
159.11679	12.8
161.13243	10.6
163.11221	4.4
163.14839	3.9
165.12718	16.4
169.12218	11.7
171.11716	7.9
172.76424	2.7
173.13176	5.7
175.14784	7.8
176.03444	4.2
181.12239	4.2
183.13724	14.4
185.13242	5.0
187.14824	14.0
189.16284	4.3
199.08499	2.9
199.14818	3.7
201.16373	7.3
203.17906	5.5
213.10242	17.3
213.16356	18.0
219.17509	5.2
223.17024	3.5
227.08231	3.6
227.11760	6.6
228.08904	12.6
231.17354	18.1
237.18440	16.2
241.09702	33.9
249.18474	38.9
255.11258	11.0
255.19408	6.4
267.19479	100.0
269.09308	5.1
273.12247	6.5
283.10577	16.5
285.12396	6.6
285.20615	11.0
287.10339	6.4
291.23163	4.7
299.10281	4.2
301.11755	35.9
303.04892	3.2
303.23196	11.2
305.05554	9.1
306.05792	4.3
311.10236	4.5
321.24261	11.0
327.09598	3.8
329.11328	23.3
336.09808	3.2
339.25189	4.8
357.26434	4.2
375.27090	3.4
393.19232	3.5
393.28369	7.5
450.16522	5.1
460.15054	11.7
478.15842	15.1
488.14423	3.7
506.15466	25.8
524.16278	5.5
538.18060	20.4
556.19165	68.9
584.95496	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	555.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.4
53.03934	11.1
55.01861	10.7
55.05500	38.2
57.03431	15.7
57.24973	1.7
65.03909	6.1
67.05492	86.8
69.03397	4.9
69.07053	31.7
71.04966	5.1
72.76256	1.6
79.05479	94.1
81.03413	11.7
81.07043	73.4
83.04966	11.4
83.08603	17.8
85.06514	5.6
91.05464	100.0
93.07026	80.3
95.04951	27.1
95.08593	47.8
97.06500	16.0
97.10136	6.3
97.55339	1.7
98.21069	12.8
99.08064	3.7
103.05434	4.9
105.04504	2.0
105.07008	83.0
107.04929	13.2
107.08570	39.4
107.09243	3.2
109.06493	14.3
109.10123	15.3
111.08038	5.1
113.09713	1.6
115.05451	5.5
117.06990	39.1
119.04904	1.7
119.08567	53.6
121.06477	6.8
121.10120	17.5
123.08048	7.2
123.11746	4.3
125.09637	4.5
128.06212	9.0
129.06978	30.6
130.07745	3.9
131.08542	40.8
133.06427	2.2
133.10110	30.1
135.08043	3.5
135.11671	6.6
137.09641	3.7
139.11082	2.0
141.06953	10.6
142.07751	5.3
143.08539	27.4
144.09265	2.4
145.10092	58.2
147.08029	3.7
147.11655	44.9
149.09590	11.0
149.13252	4.0
151.11180	3.0
154.07787	4.0
155.08528	17.8
157.10107	18.3
159.08064	3.0
159.11665	36.2
161.09602	8.5
161.13235	16.1
163.11195	9.5
163.14812	2.3
165.06950	2.4
167.08540	6.7
169.10098	18.6
171.11662	31.7
173.09573	3.2
173.13216	16.2
175.11211	3.7
175.14836	3.9
177.12730	2.8
179.08513	4.3
179.14296	4.2
181.10103	8.9
183.11674	18.2
185.13229	11.6
187.14809	2.3
189.12677	9.5
193.10121	5.3
195.11649	6.7
197.13235	9.5
199.14842	2.3
201.12708	2.9
201.16299	2.8
203.14360	3.9
205.15761	2.0
207.11742	4.6
207.13797	16.7
209.13277	5.8
211.14761	5.8
213.12709	1.7
213.16409	4.4
215.14362	2.6
215.17888	3.2
219.17409	5.6
221.13239	3.5
223.14854	2.8
225.12819	2.5
225.14729	2.6
229.19484	8.0
229.61287	2.8
235.14816	2.4
239.14194	2.4
239.17952	13.6
249.16451	2.6
257.18970	43.5
275.20029	51.6
281.17310	17.2
293.21069	4.4
295.20737	2.1
301.11557	1.7
313.21637	3.0
331.22766	11.7
417.31519	2.2
427.29691	2.1
445.30841	9.4
463.32285	8.4
481.33099	8.0
483.31036	5.8
497.32455	2.6
527.37091	2.4
537.35730	20.4
555.36725	92.7
556.36713	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.6
53.03750	0.9
53.03938	10.1
55.01864	30.0
55.05501	27.7
56.80633	1.1
57.03416	3.5
57.07056	4.7
57.15255	1.1
59.04980	1.8
65.03921	5.3
65.25894	1.0
67.05492	69.9
69.03410	2.7
69.06686	2.1
69.07056	41.0
69.35591	13.1
71.04974	2.8
71.08614	3.4
73.06535	1.0
77.03914	1.6
79.05479	82.0
81.03407	14.6
81.07043	74.4
83.04968	14.1
83.08599	10.7
85.06530	2.4
85.10172	1.3
90.64422	1.0
91.05463	88.6
93.07027	64.8
95.01303	13.1
95.04950	28.3
95.08588	46.7
97.06512	57.3
97.10138	5.6
98.98442	10.1
99.08087	1.2
103.05437	3.3
105.04505	2.4
105.07011	88.3
107.04936	27.5
107.08579	25.4
109.02907	1.5
109.06504	9.0
109.10131	13.6
111.04417	1.2
111.08044	3.6
113.09612	1.1
115.05427	4.2
116.99419	1.0
117.06999	20.2
119.04963	1.1
119.08559	48.6
119.09415	2.3
121.06467	4.3
121.10122	10.6
122.36066	1.0
123.04405	2.9
123.08060	7.2
123.11674	4.6
125.09631	3.8
128.06190	5.0
129.06982	15.5
131.08543	24.5
133.06479	1.4
133.10103	40.6
135.08032	3.9
135.11662	10.7
137.09564	3.9
139.07483	2.6
140.01143	1.3
141.06963	2.1
143.08572	10.8
145.06480	2.8
145.10081	20.4
147.08037	1.9
147.11661	30.2
149.04424	1.2
149.09576	10.6
149.13261	4.0
151.11076	1.9
155.01033	16.2
155.08540	3.1
157.10123	5.6
159.11658	13.7
161.09627	3.7
161.13228	13.0
163.11148	6.7
165.09084	3.5
169.10056	3.2
171.11664	16.1
173.13295	6.4
175.11211	1.5
175.14766	1.7
177.12743	6.0
179.14278	22.1
183.11641	3.1
185.13216	2.6
187.11172	3.8
187.14778	1.7
189.12636	5.0
197.13219	2.9
205.12291	2.0
207.13788	9.2
209.13274	1.3
211.14757	1.3
215.17979	1.9
215.97914	1.0
217.56848	1.1
225.14812	3.0
229.19484	2.4
231.17470	1.0
239.17868	3.0
241.14484	1.9
247.20544	4.6
254.23952	1.2
257.18924	9.5
259.20618	4.3
263.16367	2.6
275.20010	100.0
276.20502	1.9
279.15909	8.6
281.17493	1.3
293.21042	7.9
313.27298	7.7
331.22754	2.0
349.23761	2.7
453.15625	1.8
463.32117	1.6
468.17612	1.2
537.35541	2.9
555.22205	3.7
555.36688	46.4
556.36835	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23323	1.4
55.01850	2.4
55.05515	1.4
67.05481	3.4
69.03424	1.8
69.67284	4.0
69.67711	5.4
70.06586	1.3
70.74879	1.1
71.04972	1.5
73.17215	1.1
75.90119	1.2
81.03411	1.1
81.07035	4.1
82.41848	1.2
82.46462	0.9
83.04471	1.2
83.04934	2.0
85.02913	1.2
86.09662	1.2
91.05473	3.2
93.07038	4.0
94.02923	1.1
94.06568	5.9
95.04951	2.3
105.07004	1.3
107.08562	2.2
109.06511	2.1
109.10103	1.8
111.08041	1.5
119.08515	2.3
120.08112	2.6
121.10078	1.5
122.06023	6.2
124.03941	1.5
132.08110	1.8
133.10065	1.5
136.07610	3.6
137.05922	1.4
137.09607	1.9
146.05960	1.7
148.03857	2.9
148.07561	3.4
150.05486	6.7
150.09111	1.3
160.07523	2.0
162.09102	10.5
166.04985	4.9
166.08591	2.0
168.10228	1.6
171.09023	1.5
173.10780	2.0
174.05435	2.2
176.03352	7.6
180.06686	1.6
180.10199	5.4
182.09676	2.2
184.11223	3.5
185.07053	2.1
185.10725	5.1
187.08650	4.1
187.12289	1.3
190.08627	1.4
192.06546	1.3
194.04578	1.7
198.07733	1.5
199.08670	5.5
200.09453	3.9
201.10115	6.1
202.10910	1.4
208.09668	9.8
209.10800	1.3
210.09317	1.8
211.08643	2.4
211.12236	1.9
212.07397	1.4
212.10724	3.9
213.06604	5.4
213.10199	23.6
214.07178	1.5
215.08183	3.9
215.11798	4.1
224.09062	1.5
225.06480	2.0
225.10370	2.0
227.08148	11.9
227.11696	8.9
228.08859	19.1
228.12476	2.2
229.09665	8.1
229.13252	2.5
230.10544	1.4
234.07559	1.6
237.10101	3.2
239.07986	5.6
239.11812	2.8
241.09685	59.8
242.10423	3.3
243.07602	1.9
243.11292	2.7
250.10963	1.7
250.18839	1.8
253.09741	2.8
255.07585	2.9
255.11227	17.2
256.08267	5.7
256.12073	4.1
257.09030	6.4
257.12851	4.7
258.10043	3.2
259.10883	4.0
265.09720	1.7
267.07758	2.0
267.11169	2.1
267.19614	1.9
269.09198	10.1
271.10736	3.5
273.09439	1.7
273.12189	9.1
274.13031	1.6
276.08679	2.8
281.09094	1.7
283.10724	21.2
285.08740	4.2
285.12320	5.3
287.10263	9.3
289.11798	2.8
295.10669	1.8
299.10144	7.2
301.11758	58.7
302.09042	2.3
309.08694	1.6
311.10229	7.6
313.11588	2.7
315.13467	1.4
316.10532	4.0
317.11279	48.8
327.09839	2.8
327.13306	1.8
329.11276	40.6
343.12961	1.8
361.13812	2.6
371.12610	1.5
383.12039	3.1
388.16663	1.8
404.16086	3.9
414.14825	2.0
432.15454	4.4
434.17017	1.3
450.16431	6.1
460.14890	10.1
462.16382	2.1
474.16653	2.3
478.15994	28.1
488.14297	10.3
492.17764	3.6
506.15378	32.1
510.18799	4.7
520.17169	2.8
524.20270	39.5
538.18097	64.1
539.17841	2.0
542.21252	2.1
556.19128	100.0
557.19464	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33989	0.4
55.01833	0.6
55.05490	1.0
56.02182	0.5
57.03426	3.9
67.05138	0.7
67.05492	10.8
69.03401	1.6
69.07053	1.0
69.39475	2.5
69.39905	2.5
70.06571	0.6
71.01344	2.5
73.02901	3.5
75.79063	0.4
78.03432	3.5
79.05473	1.0
80.05000	1.8
81.03401	0.7
81.06604	0.8
81.07041	8.0
83.01327	0.5
85.02887	9.0
91.05476	1.2
93.07040	2.2
95.08588	4.8
96.04453	1.9
97.02885	2.8
99.00799	1.0
99.04410	0.8
99.08076	0.6
101.02349	1.3
103.03902	1.0
106.02177	1.1
106.02895	21.7
107.08545	1.0
109.06515	1.3
109.10137	30.4
111.04389	0.5
113.02367	3.6
119.08553	2.0
121.06453	0.8
124.03930	100.0
131.03377	2.1
137.09590	46.7
140.07088	0.5
141.01772	3.5
147.08047	0.5
155.10632	1.2
159.02879	0.7
165.09091	20.7
180.06528	17.3
183.10062	0.6
198.07584	23.8
201.11241	0.7
237.10187	0.6
239.12740	15.0
245.11813	0.7
257.13782	12.0
293.39044	0.5
307.10904	0.5
322.16034	0.6
339.12979	0.6
356.09625	1.0
362.15952	12.8
366.12006	0.5
374.10724	1.5
380.16968	68.1
381.17105	1.0
395.23761	0.9
415.15897	1.2
433.17023	1.1
512.23645	1.1
538.21503	5.7
556.20197	8.5
557.28772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98635	0.5
56.96558	6.0
65.75767	0.3
66.34922	0.3
69.14554	0.3
70.14503	0.8
71.95248	1.1
98.97569	45.7
116.98606	51.1
134.99641	34.7
140.00150	1.7
145.73105	0.3
153.00684	5.2
158.01277	2.3
158.02353	0.4
172.94333	1.9
190.95364	4.6
197.95197	0.6
208.96407	2.5
214.95348	1.8
230.98494	0.4
232.96431	8.2
241.94055	0.5
248.94545	0.9
250.97536	5.9
256.96347	15.6
257.96835	0.4
258.99835	1.3
266.12140	0.4
272.94312	0.6
273.99112	0.5
274.97470	100.0
275.97797	1.4
276.97986	0.7
277.00793	1.9
290.95462	1.4
292.98526	76.0
293.98871	1.2
294.98776	0.4
297.99036	6.8
303.00885	0.4
306.93222	0.7
308.96436	0.5
310.99548	0.7
314.95462	1.0
316.00156	3.9
316.98792	1.5
323.29846	0.4
330.93311	0.4
332.96591	2.5
348.94446	0.9
364.92108	0.5
372.94534	0.5
388.92676	0.4
390.95511	0.4
398.97687	3.1
406.93521	0.4
414.95300	28.4
415.95700	0.6
416.98651	8.6
430.93616	0.5
432.96399	44.5
433.97043	0.7
435.00055	2.2
440.00455	0.7
448.94208	0.4
450.97461	9.2
455.97977	6.4
456.96939	1.0
460.99738	0.4
472.94443	1.3
474.97498	0.5
496.96161	0.4
514.97083	2.5
532.98285	0.5
556.96356	12.3
557.96661	0.6
572.94916	0.4
574.96259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40553	1.0
56.96555	5.0
65.94481	1.1
69.03401	1.6
71.68711	1.6
81.03403	1.3
82.99854	2.0
85.02893	3.0
86.03267	1.4
89.03909	4.3
95.04965	1.7
97.02905	2.5
98.97572	9.8
101.00865	10.5
107.04922	1.2
109.02848	2.2
110.97587	2.9
111.04456	1.4
112.99132	3.8
113.00843	2.4
116.98573	6.5
117.03353	4.4
119.01904	35.2
123.04433	1.8
127.02425	1.7
127.03899	4.1
128.98615	4.9
131.00177	4.4
131.01878	11.3
133.03484	1.5
134.99643	2.9
135.04387	11.7
137.02960	4.6
143.00139	3.1
143.01878	19.6
145.02655	2.4
145.03595	16.9
146.99628	3.5
147.01358	2.7
149.01180	2.7
149.02948	2.7
149.06596	1.9
153.03970	2.6
155.01855	13.6
157.03412	7.5
158.99634	2.9
159.05020	3.3
161.01329	2.0
161.02943	30.6
161.06648	1.8
163.03859	72.9
164.04256	4.4
167.01949	6.9
169.03441	28.2
170.99686	4.0
171.01274	1.8
171.05003	11.1
173.01294	3.1
173.02931	30.2
173.06630	3.5
175.02954	1.5
175.04544	2.2
177.00717	3.0
177.02409	3.2
179.01942	3.9
181.03491	2.4
184.04538	1.7
185.01262	2.8
185.02931	41.8
185.06483	6.6
186.03168	1.8
187.02846	2.9
187.04489	30.5
189.00716	4.3
189.02464	3.0
189.06049	3.8
191.02278	1.5
191.03964	2.7
196.04680	1.5
197.02910	22.0
199.04471	5.9
201.00696	5.4
201.02367	1.5
203.02164	2.5
203.03957	12.0
203.07591	3.9
204.08157	1.2
207.07074	1.6
209.02997	3.0
210.05954	1.2
211.04506	5.6
213.02512	2.8
213.06097	2.1
215.03976	23.0
217.05559	7.7
219.01746	7.1
219.03537	2.0
221.02966	19.8
221.04988	2.7
222.03270	1.2
227.03989	11.2
227.07596	2.5
229.05623	3.1
231.03571	2.9
231.07127	6.0
233.05077	6.7
237.02736	6.5
239.03951	7.1
240.91089	1.2
243.07161	1.8
245.05028	100.0
246.05168	3.9
247.04317	1.3
247.06740	1.5
257.05017	10.2
261.02457	5.6
263.06186	10.9
271.04468	5.1
271.06937	1.7
273.02768	1.4
275.02658	7.2
275.06064	95.1
276.06320	4.3
279.03506	2.1
281.04935	1.4
287.03012	2.7
287.06140	9.2
289.05560	3.4
291.03543	1.8
293.04056	2.0
293.07233	12.1
295.06757	1.6
301.07623	5.0
305.03928	2.0
305.07129	19.0
306.03268	2.2
309.04834	1.4
309.08142	1.5
313.05389	1.8
315.09253	3.2
316.08752	1.6
317.07028	4.9
319.08640	5.5
321.04916	1.7
327.03833	2.8
331.06558	3.6
333.10284	4.1
335.04758	2.1
335.08203	10.9
336.04327	2.0
337.08099	3.7
347.08401	1.6
349.07718	4.8
351.05539	2.3
355.08978	3.0
357.04578	1.8
359.04303	1.7
359.08215	5.4
365.09253	13.6
377.05823	5.3
377.09183	9.9
385.56107	1.5
386.06369	1.4
394.56631	1.3
395.06656	5.2
395.10391	6.8
397.10120	3.6
399.08252	1.8
419.08218	2.1
437.09250	46.1
437.15228	2.5
438.09305	3.2
449.09039	7.9
455.09879	1.7
557.16241	11.9
558.15369	1.7
569.98816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70452	1.7
53.03944	5.9
55.01859	4.3
55.05504	16.4
56.81464	1.9
57.03417	5.5
57.07072	9.6
59.04994	2.4
61.02912	3.0
64.47923	1.5
67.05492	31.0
68.99763	2.6
69.03419	31.7
69.07052	28.0
70.06602	1.6
71.04978	17.5
71.08620	3.1
71.70374	2.7
73.02895	2.4
79.05483	18.6
80.22466	1.7
81.03408	22.0
81.07043	94.2
83.04974	3.6
83.08613	18.2
83.15918	1.5
85.02892	43.2
85.06527	8.8
87.00813	15.9
90.06657	1.7
91.05462	11.4
92.08747	1.6
93.07018	30.0
94.25594	1.8
95.04976	5.0
95.08591	100.0
97.02872	13.3
97.08659	1.6
97.10166	6.5
99.04423	11.6
99.08096	7.1
104.48851	1.5
105.01846	10.9
105.07021	14.6
107.04962	2.2
107.08570	31.5
109.02870	15.7
109.06499	8.0
109.10140	71.2
109.10876	3.5
110.22840	1.6
111.08084	7.2
111.11717	7.8
115.03922	3.5
117.06984	2.4
119.08565	13.4
121.10116	24.1
123.08049	2.5
123.11692	42.0
124.04011	2.1
125.13254	2.1
127.03891	25.3
127.11182	10.8
128.06210	2.1
128.69601	1.7
129.06953	3.0
131.08537	5.1
133.10110	12.2
135.08051	7.1
135.11673	17.1
137.06012	2.8
137.09619	7.9
137.13216	18.2
139.11137	3.8
141.12767	3.8
143.08612	2.5
145.04973	6.0
145.06422	1.6
145.10136	5.7
147.04364	2.4
147.11656	11.1
149.09634	3.8
149.13239	27.1
151.11201	2.2
151.14781	11.6
153.12724	5.8
157.10146	5.4
159.02890	2.2
159.08070	1.8
159.11687	5.9
161.13254	5.5
163.14769	13.2
165.09128	2.2
165.16498	1.8
167.14423	2.7
171.11702	4.7
173.13239	4.3
175.11208	1.7
175.14781	4.2
177.16414	6.7
183.11722	2.2
187.06067	5.8
187.11337	1.9
187.14842	2.7
189.16302	2.3
191.18019	5.0
193.19495	2.4
203.17958	5.5
205.19521	6.0
207.06454	2.0
210.71039	1.8
213.03918	4.7
217.19583	5.0
231.04993	13.6
239.07033	3.4
240.07387	3.4
245.18994	2.0
249.06129	1.8
251.17987	3.3
253.19655	9.1
255.17448	2.7
257.08011	3.9
258.08475	4.6
265.25241	2.4
272.10345	20.7
273.10754	26.2
273.18463	8.5
273.25851	11.1
279.26761	9.9
281.19443	1.8
291.19641	6.3
291.26718	25.6
305.08484	2.1
306.08749	4.9
309.20560	4.0
309.27933	13.3
318.42737	2.0
350.19983	1.8
381.28085	2.3
395.13544	5.2
395.23944	22.6
435.30469	1.8
473.79630	2.0
503.30283	2.2
521.31366	2.4
527.28278	2.1
539.33020	3.0
543.13074	1.9
557.29303	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	10.4
55.01865	16.3
55.05499	27.3
57.03422	30.6
57.07081	1.7
59.04996	2.0
59.40327	1.6
64.40424	1.6
65.03936	5.5
67.05491	66.8
69.03416	6.2
69.07053	13.2
70.75407	5.2
71.04988	6.8
78.25396	1.9
79.05022	3.4
79.05479	59.7
81.03406	100.0
81.07042	58.2
81.55916	1.9
83.04976	13.0
83.08604	22.6
85.06516	19.5
91.05458	60.4
93.07025	44.5
93.07575	2.5
95.04950	72.7
95.08586	26.8
97.02901	3.5
97.06522	10.9
97.10144	9.3
98.21132	2.0
103.05457	4.1
105.04513	1.8
105.07008	48.4
107.04928	29.0
107.05563	2.3
107.08569	30.5
109.02901	1.5
109.06499	88.6
109.10125	12.0
111.04427	4.8
111.08046	9.0
112.41825	1.5
113.05985	58.0
115.05470	4.7
117.06996	22.5
119.04896	4.0
119.08554	34.0
121.06476	11.3
121.10125	13.9
123.04391	2.7
123.08039	7.8
125.09615	7.4
128.06210	5.4
129.06970	26.6
129.85983	1.6
131.04910	2.3
131.08540	30.5
131.09453	2.9
133.06454	10.5
133.10109	15.3
135.08025	49.5
135.11623	8.4
137.05948	2.2
137.09633	5.1
141.07037	5.1
142.07796	5.5
143.08539	14.6
145.06499	6.9
145.10103	22.9
147.08020	15.4
147.11656	13.8
149.09590	12.1
149.13251	1.8
153.09148	2.7
155.08591	5.3
157.10112	15.8
159.08003	8.7
159.11674	13.6
161.09589	17.2
161.13191	1.9
163.11111	10.6
165.09128	4.6
165.12880	2.9
167.08607	3.4
169.10150	5.4
171.08096	2.5
171.11690	5.3
173.09615	8.6
173.13280	7.6
175.11151	13.1
177.12761	5.1
181.10112	3.2
181.12276	1.8
183.11697	4.5
185.09587	6.4
185.13263	3.4
187.11183	6.4
189.11147	3.8
189.12741	3.5
193.12170	20.5
195.11737	3.9
195.13840	3.3
199.11185	4.0
199.14853	5.3
201.12692	3.8
205.12253	1.8
207.13976	1.9
217.15823	22.2
219.13855	5.0
227.12839	5.7
233.15323	2.8
241.14137	2.1
245.19090	3.2
249.14784	2.6
255.17484	6.2
261.18555	5.2
263.16376	2.5
267.15817	19.7
273.18460	49.8
275.20087	3.0
279.15942	6.6
291.19498	96.0
297.18604	3.2
300.30029	1.6
309.20633	3.8
313.21616	5.7
343.22620	5.0
347.22141	9.9
355.23077	1.7
417.26324	5.7
435.27484	9.6
443.27902	2.9
447.28629	5.2
461.28925	4.2
465.29837	11.4
483.31052	8.6
521.32709	2.0
539.33679	17.5
557.34631	69.1
558.34943	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	557.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01847	2.6
55.05497	14.8
57.03426	7.3
57.07059	2.4
58.46366	0.9
65.03922	1.8
67.05492	31.2
69.07058	12.6
69.46075	8.3
69.46484	2.2
71.04972	3.2
76.39183	0.9
79.05476	26.3
81.03395	2.3
81.07043	37.0
82.34265	0.9
83.04962	3.3
83.08603	8.3
85.06525	2.8
91.05463	31.0
93.07027	27.4
93.21235	1.0
95.04910	5.5
95.08591	21.5
97.06512	3.0
97.10157	3.6
99.08076	1.3
103.05470	1.4
105.07001	24.7
107.04959	2.9
107.08570	14.4
109.06535	2.7
109.10111	6.7
111.08070	2.1
115.05473	1.9
117.06982	12.1
119.08554	25.5
121.06514	2.4
121.10117	11.9
123.08044	4.1
123.11684	1.8
125.09592	2.3
128.06242	3.9
129.06975	14.9
130.07773	1.4
131.08542	26.6
133.06520	1.9
133.10106	14.0
135.08012	1.3
135.11685	6.5
135.85962	0.9
137.09547	1.7
139.05148	1.0
139.11075	1.0
141.06953	6.6
142.07770	4.2
143.08534	21.4
145.06450	1.1
145.10092	22.5
147.07999	2.2
147.11667	15.5
149.09578	2.2
149.13257	3.1
154.07767	1.5
155.08519	18.5
156.09311	2.4
157.10104	18.5
159.08017	1.5
159.11664	15.1
161.09547	2.4
161.13220	9.1
163.11192	2.2
165.06949	1.9
166.07785	1.9
167.08543	6.7
168.09315	2.4
169.10075	22.7
171.07968	1.2
171.11661	20.8
171.13048	1.5
173.09630	1.1
173.13228	9.3
175.11188	1.4
175.14836	4.2
179.08572	1.7
180.09357	1.4
181.10075	11.6
182.10999	1.5
183.11678	16.7
185.09598	1.8
185.13214	12.4
187.11192	2.5
187.14735	5.7
189.12773	2.3
193.10124	3.3
194.10826	1.2
195.11671	13.1
196.12537	1.5
197.13194	11.4
199.11253	1.2
199.14751	7.8
201.12634	1.2
201.16411	2.7
205.10115	1.5
205.12367	1.3
207.11702	3.6
207.13811	3.7
209.13220	9.5
211.11270	1.1
211.14810	7.5
213.12941	1.2
213.16345	7.5
215.17953	1.4
219.11664	1.7
221.13235	3.3
223.14845	5.7
225.16402	4.5
227.17981	1.5
229.19550	1.3
231.21207	1.4
233.13248	1.8
235.14777	2.6
237.16365	3.0
239.18054	1.8
241.19490	6.9
243.21231	1.1
247.17058	1.9
249.18658	1.5
251.18088	1.1
259.20523	9.5
261.22232	2.2
279.15848	3.2
281.17267	6.6
283.20511	1.8
287.20084	1.6
297.22089	1.9
307.20554	1.1
311.20209	2.0
311.23636	1.5
313.21832	1.7
315.23401	1.1
321.22516	1.1
323.23737	3.5
327.23212	1.5
333.24240	3.7
335.23734	2.9
337.25299	1.4
339.23303	1.3
349.25247	1.6
353.24777	1.9
367.26279	2.2
419.33148	4.2
429.31631	6.7
435.32562	1.5
437.34070	12.1
447.32523	21.7
465.33597	30.2
466.33911	1.3
483.34662	20.2
485.34070	2.1
501.35748	2.9
503.35513	1.7
511.37704	1.8
521.36182	8.4
527.37048	2.7
529.38879	9.9
539.37244	100.0
540.37396	2.8
557.38293	43.6
558.38666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01858	5.1
55.02094	1.0
55.05502	22.7
55.30685	1.0
56.47599	1.0
57.03430	9.1
57.07054	3.1
65.03922	2.8
67.05494	44.8
69.07057	18.0
69.45808	1.5
69.46204	11.0
71.04983	4.0
74.22062	1.1
79.05480	37.8
79.05927	2.4
81.03394	2.9
81.07046	48.7
83.04976	4.4
83.08604	9.4
85.06527	2.9
91.05465	40.9
92.05743	1.1
93.07034	38.4
95.04956	9.1
95.08590	30.8
95.09196	1.9
97.06522	5.3
97.10166	4.8
99.08136	1.5
103.05469	1.4
105.07009	38.6
107.04948	4.6
107.08580	17.3
109.06504	5.3
109.10123	11.3
111.08056	2.4
115.05439	3.0
117.07002	20.0
119.08564	34.4
121.06473	3.3
121.10130	14.0
123.08022	2.7
123.11726	2.3
123.63747	1.0
125.09625	2.5
128.06183	6.3
129.06984	24.0
130.07784	2.7
131.08540	36.0
133.06464	2.2
133.10120	15.3
135.08017	2.1
135.11682	7.9
137.09644	1.5
141.06992	9.9
142.07765	5.8
143.08542	25.4
144.09386	1.7
145.06503	3.0
145.10103	28.7
147.08060	3.9
147.11682	17.3
149.09633	2.7
149.13235	3.4
153.07010	2.6
154.07756	2.7
155.08522	22.6
156.09305	3.4
157.10095	24.1
159.08098	1.7
159.11679	19.0
161.09645	3.6
161.13216	10.7
163.11165	2.8
165.06937	2.1
166.07780	1.7
167.08533	10.0
168.09377	2.2
169.10109	26.7
169.11482	1.7
170.10834	1.5
171.08083	2.1
171.11662	25.3
173.09639	2.5
173.13213	13.2
175.11203	1.7
175.14818	4.8
177.12704	2.1
179.08582	2.9
180.09383	2.3
181.10100	13.3
182.10927	2.5
183.11658	19.0
183.13106	1.4
185.09669	1.5
185.13214	16.8
187.11172	2.7
187.14786	5.6
189.12811	2.9
189.16321	1.7
193.10149	4.4
194.10893	1.3
195.11652	13.6
196.12547	1.3
197.09473	1.1
197.13217	13.4
197.14940	1.3
199.14755	9.0
201.16458	3.3
205.10146	1.6
207.11720	5.9
207.13857	4.9
209.13219	9.6
211.14780	11.1
213.12860	1.7
213.16393	11.0
215.14424	1.7
215.18015	1.6
219.11798	1.4
221.13271	4.6
223.14819	7.8
225.16403	5.8
227.14424	1.3
227.18027	1.7
231.17393	1.5
231.21265	1.5
233.13217	2.2
235.14807	3.4
235.16977	1.4
237.16380	5.6
239.17990	3.1
241.19449	6.4
247.14755	2.9
247.16920	2.2
249.16331	1.6
251.17920	2.7
253.19550	1.7
257.19186	2.5
259.20575	10.7
261.22302	1.6
279.15714	2.6
279.20938	1.2
281.17352	9.7
283.20596	1.5
285.18530	1.4
287.20172	1.9
293.18924	1.8
297.22177	3.0
299.23557	2.4
307.24130	1.4
309.22171	2.2
311.20154	2.0
311.23608	1.6
313.21469	1.7
321.21991	2.7
323.19980	1.2
323.23727	3.4
333.24426	4.2
335.23627	2.5
339.23199	2.1
341.24750	1.6
349.25333	1.9
353.24863	2.4
355.26263	1.6
361.24759	1.3
363.26791	1.8
367.26141	1.9
379.26401	1.4
419.33154	4.0
429.31543	5.0
437.34155	11.7
447.32544	25.9
465.33588	27.9
483.34744	15.8
485.34033	1.5
501.35742	3.0
503.35349	1.7
511.37970	1.9
521.36292	9.4
527.37384	2.2
529.39008	7.8
539.37274	100.0
540.37769	3.1
557.38354	53.1
558.38562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12551	4.4
51.85319	3.4
53.03946	4.6
55.01848	5.4
55.05490	17.2
57.03424	4.4
57.07053	6.1
62.56549	3.2
64.12714	2.7
67.05494	49.9
69.07053	22.2
69.59327	15.4
69.59762	14.3
72.08129	6.4
74.09706	5.7
79.05476	48.3
81.03384	5.6
81.07045	54.1
83.04955	5.2
83.08598	13.0
85.06529	3.2
88.25777	3.0
89.05990	3.9
91.05469	42.9
92.67692	3.1
93.07023	49.9
95.04948	12.0
95.08589	37.2
97.06500	8.0
97.10120	9.5
105.07024	39.4
107.04950	8.2
107.08572	23.8
109.06560	7.6
109.10139	16.1
112.89236	4.1
117.06960	16.6
119.08566	30.1
121.06477	4.8
121.10112	14.7
123.08057	6.3
123.11601	3.4
125.09609	5.6
128.06184	9.1
129.06987	18.5
131.08530	29.2
133.06537	4.6
133.10117	21.1
135.08073	3.3
135.11676	9.8
141.07004	6.7
142.07805	6.2
143.08543	25.6
145.10071	27.9
147.11685	18.0
149.13211	4.6
155.08566	15.6
157.10078	23.3
159.11655	25.8
161.13187	9.3
167.08528	8.7
169.10101	14.8
171.11647	23.1
173.13200	15.4
177.12753	4.1
178.43605	3.1
181.10127	12.4
183.11700	17.8
185.13231	20.5
187.14809	7.4
193.10100	4.6
195.11682	11.0
197.13263	16.1
199.14758	5.1
207.11639	6.2
209.13231	8.8
211.14815	9.0
213.16393	7.6
219.11649	4.9
221.13210	6.2
223.15007	6.7
225.00192	3.6
225.16338	4.3
237.16385	4.4
241.19579	5.7
259.20557	7.9
261.22195	4.1
279.15912	12.9
302.45956	3.3
323.23599	4.2
383.13904	4.1
405.28302	3.8
429.31781	7.1
437.34085	11.9
447.32507	30.0
465.33487	25.3
483.34464	19.9
501.35541	7.6
521.35870	9.3
529.38745	9.6
539.37225	100.0
540.38312	3.6
557.37775	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	17.1
55.01851	5.3
55.05503	22.3
57.03419	3.8
57.07060	4.1
59.29908	2.1
65.03925	3.4
67.05137	4.7
67.05492	85.7
69.03400	4.0
69.07047	19.0
71.04963	4.1
79.05478	66.2
81.03407	26.8
81.07042	84.0
83.04964	8.6
83.08606	9.1
85.06512	4.9
87.76524	2.2
91.05463	35.9
93.07026	76.8
95.01288	3.7
95.04961	20.7
95.08585	52.5
97.06523	7.3
97.10170	3.8
98.21503	8.6
105.06997	22.8
107.04930	23.5
107.08572	35.4
109.06480	6.8
109.10133	16.2
109.10769	2.6
111.08040	4.1
117.06987	22.2
119.08557	18.7
121.06499	10.4
121.10121	20.9
123.04452	3.0
123.08055	20.9
129.06998	5.9
130.55710	2.3
131.08551	28.6
133.06468	3.2
133.10129	14.0
135.11664	34.7
141.06969	6.4
143.08519	5.3
145.06435	14.1
145.10112	17.6
147.11662	7.9
149.13235	17.7
154.07800	2.4
157.10112	3.9
159.07974	2.8
159.11665	22.4
161.13187	7.8
163.11174	3.0
169.10149	8.2
171.11652	5.5
173.13225	5.4
177.11382	2.9
177.12709	15.1
183.11693	4.8
185.13109	3.0
187.11136	18.6
187.14761	5.4
195.13795	10.6
205.12164	6.7
223.13251	8.7
241.14301	25.2
243.21146	3.2
261.22101	18.4
279.15872	100.0
297.16861	11.1
317.24704	4.0
437.33771	3.2
465.33307	5.2
483.34665	3.9
505.70792	2.6
529.38568	6.0
539.37488	18.0
557.38202	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01852	6.5
55.05501	32.7
57.03421	9.4
57.07064	2.1
59.04989	2.5
65.03922	3.1
67.05493	56.9
69.03397	2.6
69.07053	23.3
71.04977	17.2
71.70730	2.0
73.06544	1.4
77.03844	1.5
79.05473	44.8
81.03413	13.9
81.07040	53.7
83.04972	7.9
83.08599	16.0
85.02869	1.7
85.06528	8.6
91.04919	2.7
91.05464	43.8
93.07029	33.7
95.04951	12.3
95.08589	34.4
97.02834	2.0
97.06524	7.5
97.10146	9.5
99.08077	7.6
103.05454	3.8
105.07013	40.5
107.04918	7.7
107.08584	20.9
109.06499	9.9
109.10139	15.2
111.08067	4.1
115.05436	4.6
116.06226	2.0
117.06994	20.4
119.08557	28.2
121.06488	6.8
121.10126	12.1
123.08024	5.3
123.11666	2.8
125.09615	10.8
128.06197	8.2
129.06989	21.4
130.07785	2.7
131.08539	30.5
133.06445	4.0
133.10091	18.1
135.08038	10.6
135.11661	8.5
137.09572	5.1
141.06938	10.0
142.07744	5.4
143.08543	26.1
144.05650	2.3
144.09195	1.3
145.06467	4.6
145.10095	23.1
146.07280	2.3
147.08043	8.8
147.11668	8.4
149.09558	11.1
149.13245	2.3
151.11150	3.1
154.07796	3.4
155.08530	19.3
156.09302	2.7
157.10100	26.5
158.07211	3.2
159.08005	11.5
159.11632	15.9
160.08856	2.7
161.09631	13.1
161.13184	4.8
163.11142	6.5
165.06898	2.8
167.08574	7.9
168.09375	1.6
169.10068	16.9
171.08038	5.4
171.11664	16.1
172.08791	2.2
173.09599	14.7
173.11896	1.9
173.13167	7.4
175.11182	10.6
177.09122	1.6
177.12744	1.9
179.08508	5.1
180.09132	1.6
181.10089	13.3
183.08035	1.8
183.11656	15.2
185.09589	8.6
185.13211	8.6
187.11131	11.4
187.14734	3.2
189.11224	1.6
189.12750	5.1
191.14302	1.4
193.10104	5.0
193.12032	3.3
195.11685	14.2
197.09589	2.6
197.13255	10.7
199.11235	8.2
199.12976	2.1
199.14853	5.4
200.14574	1.6
201.12691	6.8
203.14275	3.9
207.11658	5.0
207.13564	2.1
209.11606	1.5
209.13263	10.0
211.11264	3.1
211.14790	4.4
213.12715	5.5
213.16440	2.7
215.14240	4.5
217.15930	1.9
219.11626	1.7
219.13690	1.6
221.13248	5.2
223.14764	6.4
224.73296	1.4
225.12685	4.1
225.16423	1.7
227.12517	2.9
227.14429	2.6
229.15904	3.4
233.13197	1.7
235.14714	3.2
237.16360	2.6
241.15842	2.7
245.18938	2.2
253.14145	2.0
255.17262	2.1
257.18967	2.8
263.17679	1.7
267.15887	4.1
273.18576	7.1
275.20059	6.5
277.18225	1.8
283.20459	3.7
285.18515	4.1
287.20026	3.8
291.19507	6.4
295.20251	1.7
297.21979	1.8
299.20084	2.9
301.21808	1.9
307.20383	2.3
309.22150	3.1
311.20178	2.3
313.21558	4.3
313.24915	1.4
321.21924	2.4
325.21625	2.9
327.23016	2.3
335.23480	2.3
337.21396	2.2
339.23230	3.8
341.24646	4.1
343.22556	2.9
343.26245	1.8
347.22699	1.9
351.23254	1.5
351.41910	1.6
353.24796	3.3
355.26367	3.8
357.23990	1.7
365.24490	3.3
371.25992	1.9
383.25745	2.2
393.27924	1.5
405.31445	2.4
415.29675	5.5
433.30984	22.1
451.32065	11.6
465.33322	8.3
469.32877	4.2
471.31995	2.4
483.35349	9.5
489.33572	2.4
499.34259	2.5
501.35709	2.2
507.34488	11.3
525.35638	49.9
526.36749	1.5
539.36707	12.8
557.38593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
55.01864	10.6
55.05503	26.8
57.03419	11.0
57.07063	6.6
65.03928	4.5
67.05495	63.0
69.07058	27.8
69.48271	9.5
69.48699	12.6
70.69262	2.4
71.04986	6.7
79.05474	50.7
79.36369	2.5
81.03384	6.0
81.07042	62.3
82.07353	3.5
82.94888	2.3
83.04970	8.0
83.08614	16.8
85.06512	6.5
91.05466	53.9
93.07027	58.7
94.07390	3.2
95.04958	13.7
95.08589	47.8
97.06496	17.6
97.10143	8.1
98.20734	5.8
98.21382	5.6
105.07018	46.6
106.07339	3.3
107.04920	17.5
107.08579	30.3
109.06525	6.1
109.10128	13.2
111.08057	3.4
115.05488	2.4
117.06978	25.6
119.08556	41.3
121.06503	6.4
121.10134	16.2
123.08080	6.1
125.09589	4.5
128.06238	4.6
129.07008	20.0
130.07693	2.4
131.08545	41.7
133.06519	2.8
133.10104	27.4
135.08012	4.6
135.11649	15.9
141.06964	8.7
142.07739	4.5
143.08522	30.1
145.06517	3.2
145.10104	37.4
146.10416	2.5
147.07988	6.3
147.11671	18.4
149.09599	4.8
149.13239	5.0
155.08546	20.7
157.10106	25.9
159.08092	3.9
159.11655	20.9
161.09576	4.0
161.13235	10.0
163.11188	16.0
167.08533	10.2
169.10114	27.1
171.11649	24.3
173.13293	13.4
175.14850	2.8
177.12822	3.0
179.14357	3.2
180.01395	2.4
181.10132	11.3
183.11656	21.7
185.13231	13.6
187.14790	6.8
189.12653	4.9
193.10135	6.0
195.11710	11.4
197.13275	14.4
199.11127	2.9
199.14833	9.2
201.12605	2.5
207.11833	5.1
207.13699	5.5
209.13274	10.5
211.14807	8.5
213.16388	7.4
215.14134	2.9
219.17351	3.4
223.14832	8.4
225.16484	3.6
227.12698	19.9
235.14798	3.9
239.17935	2.6
241.19466	8.1
257.19016	5.6
259.20422	12.4
261.18619	3.1
271.16809	2.3
275.20029	25.7
276.20456	5.0
277.20566	2.6
281.17450	8.3
309.21964	2.9
311.20065	3.4
315.23285	3.4
323.23660	3.1
333.24139	3.7
335.23581	2.8
339.23184	4.2
367.26422	3.0
419.33011	3.5
429.31570	5.0
437.34152	14.5
447.32568	29.4
465.33661	28.6
483.34558	19.2
503.34698	3.4
521.36078	10.7
529.38464	5.1
539.37299	100.0
557.38568	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2795
Annotation	N1,N8-Bis(sinapoyl)spermidine
Peak:m/z	Relative Intensity
58.06580	1.3
59.85874	0.8
61.82723	0.7
63.19551	0.7
65.03919	1.3
69.06995	0.7
69.35366	2.3
69.35781	7.4
70.06576	1.7
72.08141	12.9
77.03908	1.7
84.08131	3.3
86.09726	1.4
89.03881	0.9
91.05463	30.7
97.02901	1.0
103.05405	0.9
112.11217	5.7
119.04919	52.3
129.12935	0.8
129.13850	4.2
132.02031	2.2
141.24593	0.8
142.71970	0.9
145.02794	1.1
145.64517	0.9
146.16481	4.7
147.04378	46.4
148.29001	0.9
149.02312	1.3
155.11723	2.6
157.03987	4.0
164.04686	2.0
169.86310	0.9
174.05530	1.1
175.03874	93.8
176.04294	1.3
179.06984	4.2
184.14471	1.1
206.08209	0.9
207.06487	100.0
208.06783	1.0
230.59933	0.9
263.13803	2.0
264.09473	1.6
264.12286	32.6
278.13840	6.1
281.14923	1.1
327.09976	1.0
334.21292	3.2
335.19608	5.0
352.22241	43.6
353.22787	1.3
377.20709	1.4
378.20374	1.1
540.26727	1.1
541.25354	11.9
558.28052	74.6
559.28491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	2.8
71.37698	3.6
89.03902	7.2
107.04965	3.7
111.04431	2.6
114.34823	1.7
115.05465	3.3
117.03380	7.8
118.06519	19.9
119.04939	2.0
123.04371	10.2
132.08052	5.4
133.02783	2.0
135.04387	16.5
136.07558	2.2
136.58626	1.7
137.02296	1.7
139.03911	5.5
142.06578	3.3
143.07274	4.0
144.08043	8.9
145.02794	9.0
146.05984	63.5
159.09171	5.9
163.03879	57.7
164.04216	3.4
164.07048	3.2
170.05997	5.2
179.03397	4.1
182.08125	3.1
188.07039	100.0
189.07376	2.8
205.09705	32.3
237.00690	4.7
255.01672	2.2
257.04373	2.1
273.02686	2.8
409.09070	4.0
422.28076	1.7
429.07230	2.1
465.37970	1.8
541.11182	1.9
559.11823	2.9
564.32983	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	559.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01870	7.2
55.05504	38.2
57.03424	9.5
57.07056	17.5
59.04961	4.2
67.05492	49.6
69.03414	29.9
69.07062	48.0
69.43943	39.5
71.04980	16.6
71.08620	13.2
78.15249	4.3
78.35285	4.0
79.05481	35.8
81.03419	25.4
81.03833	4.1
81.07046	100.0
82.07395	4.9
83.04967	6.2
83.08140	7.7
83.08600	45.6
85.02895	29.8
85.06532	8.6
85.10140	5.7
85.81039	4.8
87.00801	12.1
91.05475	27.2
91.51514	4.6
93.07021	28.3
95.04944	12.8
95.08591	88.0
97.02878	18.5
97.10155	23.7
99.04497	6.2
99.08082	5.9
105.07009	30.2
107.04937	11.6
107.08593	24.7
109.02865	9.9
109.06516	8.3
109.10149	63.8
111.08050	11.9
111.11701	12.5
115.03961	6.7
117.07006	13.2
119.08578	20.9
121.06533	7.3
121.10143	16.4
123.04421	8.1
123.11698	37.2
125.09636	6.0
125.13240	5.4
127.03902	19.6
131.08536	15.7
133.10156	10.8
135.11670	9.3
137.13243	19.2
143.08563	7.2
145.06535	5.7
145.10092	12.9
147.11682	15.1
149.02336	8.6
149.13235	10.6
151.14787	7.8
157.10091	8.6
159.11708	7.7
163.11259	5.0
167.08417	4.3
171.11700	7.6
173.09447	4.4
175.11090	6.5
189.11256	6.0
189.22562	4.4
201.03914	5.2
231.04927	15.4
253.19621	7.7
275.19983	11.6
275.27341	7.1
281.28314	21.2
293.28372	12.8
296.83731	4.6
349.23801	7.6
541.34753	14.4
559.36230	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	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68103	2.4
52.46600	2.6
53.03936	9.2
55.01859	21.3
55.05502	62.5
57.03426	16.8
62.10574	2.9
63.67381	2.4
65.03926	4.7
66.07031	2.4
67.05493	100.0
68.17149	2.7
69.03419	8.7
69.07058	45.9
70.06586	2.9
70.25440	10.6
71.04984	9.4
77.77847	2.9
79.05480	86.4
81.03406	63.8
81.03878	4.0
81.07043	99.7
83.04958	19.1
83.08609	39.9
85.02875	15.8
85.06523	6.4
91.05463	88.4
92.74812	2.7
93.07030	73.8
95.01314	2.7
95.04957	42.1
95.08589	48.6
97.06503	21.8
97.10136	25.5
97.10620	2.4
99.08064	2.6
103.05479	5.6
105.07013	85.3
107.04930	23.0
107.08580	63.0
109.06509	23.2
109.10130	32.3
111.08048	15.3
115.05463	8.0
117.07009	29.1
119.08556	56.4
121.06480	15.4
121.10117	26.3
123.04408	3.3
123.08058	10.5
123.11718	10.2
125.09589	20.9
128.06215	8.2
129.06963	26.4
131.08548	48.3
133.06502	6.5
133.10104	39.0
135.08035	15.1
135.11708	10.4
137.09645	5.2
141.07021	6.7
142.07777	6.6
143.08543	21.5
145.06476	8.1
145.10094	41.4
145.11195	2.9
147.08064	7.1
147.11656	37.3
149.09604	25.1
149.13254	6.5
151.11163	5.8
155.08577	10.3
157.10095	22.9
159.08078	7.4
159.11664	23.3
161.09671	8.0
161.13293	7.2
163.11143	17.1
163.14876	2.9
165.12741	6.0
167.08580	3.2
169.10094	15.1
171.08102	3.7
171.10330	4.6
171.11641	15.3
173.09671	6.9
173.11848	4.6
173.13271	11.3
175.11250	14.0
177.12860	5.3
179.14346	8.0
181.10175	4.3
183.11705	11.2
185.09641	5.6
185.13271	10.0
187.11229	7.9
189.11180	15.4
189.12746	3.6
191.14514	2.7
193.12245	27.4
195.11852	6.9
197.13283	6.3
198.18184	3.2
199.14734	5.9
201.12778	6.0
203.14137	3.2
205.12274	4.2
207.11725	3.2
209.13322	5.0
211.13181	23.3
227.12868	9.2
229.19583	3.8
239.18022	4.7
257.18982	16.8
267.15842	25.0
271.20621	2.9
273.18491	7.8
275.20013	59.8
276.20328	2.8
281.19061	3.9
291.19565	8.0
293.21274	6.2
299.20139	7.1
313.21732	4.5
315.04880	2.7
315.23019	6.7
337.21588	2.8
338.41174	2.7
349.23740	15.4
424.72885	3.2
431.29425	7.5
449.30688	11.4
467.31583	11.0
485.32886	5.2
523.34229	8.8
541.35199	59.7
559.36389	99.9
588.88959	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	559.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13419	2.6
53.03937	7.6
55.01867	18.8
55.05499	28.0
57.03425	16.8
65.03918	3.4
67.05489	70.9
69.03416	3.8
69.07057	25.9
69.61048	11.6
69.61478	11.7
71.04978	9.8
73.02895	3.2
79.05480	69.1
81.03404	26.3
81.07040	80.5
83.04971	7.5
83.08605	23.9
85.02882	2.9
85.06541	6.9
91.04923	6.0
91.05465	79.5
93.06439	4.5
93.07031	88.6
95.04961	26.8
95.08589	65.7
97.02863	4.4
97.06518	21.0
97.10167	6.5
98.20614	5.5
99.04453	3.8
103.05401	3.2
105.07011	77.9
107.04935	17.5
107.08571	59.7
109.06513	8.9
109.10122	18.7
111.08043	5.7
113.09668	3.9
115.05415	3.8
117.06991	27.8
119.08563	68.8
121.06493	11.4
121.10135	33.7
123.08070	5.5
125.09632	3.8
125.70327	2.6
128.06197	4.0
129.06998	19.9
130.07773	3.5
131.08534	31.9
133.10110	44.4
135.08035	12.3
135.11667	62.6
137.09627	4.3
139.07452	3.1
139.11136	3.0
142.07814	3.8
143.08592	14.1
145.10100	47.2
147.08029	3.8
147.11659	36.3
149.09592	8.0
149.13237	9.1
155.08525	4.8
157.10094	14.3
159.11644	21.3
161.13232	33.8
163.11165	66.0
163.14894	2.8
169.10126	7.3
171.11667	15.0
172.61363	2.7
173.13252	11.8
175.11192	5.8
175.14801	13.1
177.12669	4.0
179.14316	5.5
181.12239	9.4
183.11754	2.7
185.13200	6.3
187.14764	4.4
189.12666	3.7
193.12204	7.1
199.14786	4.7
211.13228	4.0
217.19621	5.7
227.12752	100.0
231.21034	5.7
241.19482	41.3
257.18973	5.3
259.20520	66.6
267.15817	17.9
273.18506	8.1
275.20007	28.5
283.15366	46.7
291.19528	11.3
315.23178	7.7
333.24170	63.2
343.40283	2.8
349.23648	9.4
396.31351	3.5
467.31668	2.9
541.35107	42.1
559.35828	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	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.6
51.71308	2.1
53.03933	8.9
55.01873	15.0
55.02081	2.4
55.05503	49.8
57.03421	15.7
57.07066	4.6
57.50075	2.2
59.04999	2.7
65.03928	6.1
67.05496	97.9
69.03438	12.4
69.07059	32.5
70.06603	2.7
70.33772	7.5
70.34203	5.2
71.04978	9.9
79.05484	71.9
81.02935	5.5
81.03404	91.8
81.07045	100.0
83.04967	13.9
83.08612	39.5
85.02882	8.6
85.06548	7.0
87.04494	2.6
89.48054	2.2
91.05466	79.2
93.07031	55.4
95.04955	44.8
95.08589	45.5
97.06528	18.7
97.10142	28.0
98.20805	3.5
98.21345	4.3
103.05453	3.8
105.07015	76.9
105.07723	4.9
107.04923	23.1
107.08585	44.1
109.06533	16.6
109.10137	29.6
111.08080	11.4
115.05465	4.1
116.06262	3.0
117.07008	25.0
119.08572	60.9
121.06487	12.1
121.10143	28.6
123.04462	3.4
123.08057	8.8
123.11678	15.2
125.09594	26.9
129.06981	28.2
131.08553	35.6
133.06490	8.4
133.10110	31.2
135.08057	11.0
135.11703	7.8
137.05949	2.7
137.09616	8.5
141.06984	4.6
142.07788	5.2
143.08533	14.8
145.06432	6.1
145.10126	28.7
147.08043	11.1
147.11668	35.4
149.09595	19.0
149.13242	6.0
151.11163	3.5
155.08543	7.7
157.06419	4.6
157.10127	27.2
159.08087	6.2
159.11676	21.9
161.09657	6.2
161.13232	4.8
163.11172	10.9
165.12758	6.3
167.08557	3.1
169.10106	11.2
169.12207	2.7
171.08090	2.7
171.11696	12.8
173.09595	4.3
173.13228	7.5
175.11174	15.3
175.14804	3.5
177.12659	2.8
181.10052	3.3
183.11668	11.5
185.09575	4.8
185.13196	8.6
187.11166	7.8
187.13199	2.5
187.14752	2.9
189.09532	2.3
189.11191	14.5
189.12708	5.1
193.12228	25.7
195.11613	4.3
197.13234	9.3
197.94402	2.7
209.13327	3.1
211.13234	6.4
211.14987	4.3
211.90735	2.5
213.12709	3.0
221.13211	3.0
223.14960	3.9
227.12679	15.6
229.14279	3.4
239.17868	6.0
249.14786	4.2
252.50461	3.1
253.19498	11.2
257.18967	11.2
265.21732	2.6
267.15872	27.7
275.20016	55.3
293.21091	5.1
297.22156	3.7
299.19998	12.4
313.21472	5.5
317.20975	6.1
337.21356	3.3
349.23639	17.5
373.23590	6.2
431.29282	4.7
447.27606	2.7
449.30676	13.3
467.31470	19.5
485.32611	12.7
541.26953	2.8
541.35260	58.7
559.36267	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09764	2.2
50.31283	2.0
53.03935	9.5
55.01863	4.5
55.05502	29.6
57.03423	10.4
57.07076	4.1
58.47932	2.1
65.03930	6.2
67.05498	98.5
69.07054	22.9
71.04975	4.2
75.21524	2.0
79.05485	88.6
81.03407	9.0
81.07047	100.0
83.04981	13.4
83.08605	12.5
85.06544	4.8
91.05471	72.7
93.07035	93.6
95.04942	22.7
95.08588	65.4
97.06535	6.7
97.10144	3.9
98.20750	6.1
99.08046	3.8
101.06658	2.2
105.04522	3.0
105.07016	59.1
107.04936	8.4
107.08583	34.6
108.14043	2.6
109.06477	6.7
109.10136	19.9
111.08096	2.5
117.06993	18.7
119.08567	34.5
121.06496	5.3
121.10125	21.8
123.08035	6.8
123.11660	6.6
128.06244	2.6
129.06978	19.1
131.08551	21.1
133.10101	22.8
135.08104	3.3
135.11674	18.8
137.09648	2.9
141.06934	2.8
143.08559	14.0
145.06418	2.7
145.10121	18.0
147.08136	3.1
147.11656	37.5
149.13219	6.4
155.08487	4.9
157.10097	4.9
159.11685	12.9
161.13249	15.7
163.14839	4.0
169.10129	4.3
171.11662	27.6
173.13223	8.0
179.14354	2.4
185.13254	2.9
187.14838	3.4
189.12756	8.0
195.67210	2.3
207.13771	26.3
209.13359	3.2
225.14743	3.5
243.21095	3.3
252.54993	2.1
259.20541	3.8
261.22119	17.7
279.15842	6.6
281.17453	37.7
297.17105	2.5
317.24881	3.0
335.25735	33.2
366.67426	2.1
382.09409	2.6
392.39975	2.3
395.19037	2.4
431.33121	2.9
449.33664	4.5
467.35440	6.5
485.36301	4.5
541.38837	89.7
559.39252	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	559.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.0
53.03937	11.6
54.15398	2.0
55.05503	28.0
57.03432	12.3
57.07072	3.0
65.03949	4.4
67.05496	96.6
69.03406	2.7
69.07059	23.8
70.10012	7.1
70.10432	3.7
71.04985	3.4
72.75493	2.0
73.06561	3.8
79.05482	100.0
81.03401	8.5
81.07043	92.5
81.07534	2.1
83.04970	10.5
83.08596	9.9
85.06519	5.7
91.05469	76.2
91.06039	4.0
93.07030	97.3
95.04952	22.4
95.08591	70.9
97.06528	6.9
97.10167	5.3
98.21417	2.4
105.04508	2.0
105.07014	44.6
107.04971	7.9
107.08576	37.8
109.06505	5.1
109.10146	20.3
111.08076	3.7
113.75104	1.8
115.05435	2.8
117.07008	16.9
119.08564	33.2
121.06512	3.3
121.10117	23.3
123.08053	6.6
123.11694	4.3
128.06247	3.3
129.06985	14.7
131.08556	16.5
133.10114	17.8
135.11668	12.1
141.07053	2.8
143.08551	8.7
145.10101	21.8
147.07967	2.1
147.11664	37.5
149.13254	6.0
155.08583	4.1
157.10114	4.7
159.11664	12.8
161.09550	5.6
161.13197	13.2
163.14766	3.6
169.10129	5.4
171.11656	23.1
173.13264	8.8
175.14780	4.3
179.14354	2.5
181.10097	2.0
183.11644	4.3
185.13239	2.8
187.14749	3.2
189.12721	7.3
196.33319	1.9
197.13257	3.3
207.13780	23.6
251.88319	2.6
261.22009	13.1
279.15964	5.8
281.17484	30.4
317.24902	2.4
335.25732	55.6
449.34131	4.2
467.34976	3.3
470.53299	2.2
485.36215	4.6
541.38788	76.5
542.39166	3.4
559.39661	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	559.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
53.03926	2.7
55.01855	3.6
55.05502	19.6
57.03423	4.2
57.07059	3.4
65.03918	3.3
67.05492	42.4
69.03406	1.5
69.07056	17.7
69.93075	0.8
70.42542	2.3
71.04610	1.5
71.04977	23.8
72.07883	0.9
73.06539	1.4
76.55088	0.8
79.05476	29.5
81.03390	3.0
81.07041	57.8
83.04963	4.5
83.08605	8.9
85.06520	4.9
91.05463	38.8
93.07027	30.1
95.04957	7.6
95.08588	24.1
97.06520	4.9
97.10134	2.9
99.08043	1.3
105.07009	36.5
107.04927	1.7
107.08569	19.6
107.34200	0.9
109.06462	2.9
109.10139	8.1
111.08038	3.7
114.65839	0.9
115.05433	3.5
117.07002	18.7
119.07737	1.6
119.08559	21.7
121.06450	1.9
121.10130	11.6
123.08058	2.5
123.11682	5.9
125.09601	3.0
128.06187	3.4
129.05508	0.9
129.06990	15.9
129.52046	0.9
130.07741	1.7
131.08553	30.7
133.06461	1.4
133.09167	1.7
133.10109	20.3
135.08026	1.4
135.11659	7.0
137.09579	1.3
137.13222	1.1
141.06955	4.4
142.07736	4.1
143.08551	20.5
144.09288	2.0
145.10094	25.6
147.07994	2.7
147.11650	10.1
149.09587	2.7
149.13217	3.4
151.11122	3.2
154.07664	1.6
155.08525	8.5
156.09288	1.5
157.08865	1.3
157.10091	16.5
159.11664	18.4
161.09583	1.9
161.13219	4.2
163.11154	1.4
165.06918	1.1
166.07744	1.0
167.08495	2.6
169.10106	11.2
171.11684	13.9
173.09537	1.3
173.13240	9.2
175.11166	1.6
175.14748	1.7
181.10057	4.4
182.10809	1.7
183.11655	11.8
185.13211	10.9
187.11241	1.0
187.14786	4.0
193.10139	1.2
195.11671	4.4
195.13516	1.1
197.13203	6.9
199.11220	1.3
199.14761	5.6
201.12650	1.3
201.16339	1.6
203.17824	1.0
207.11621	1.8
209.13205	4.5
211.14745	3.8
212.15544	1.0
213.16298	2.2
216.49265	1.0
219.17203	1.0
221.13249	1.3
223.14799	1.3
225.16629	1.3
227.18033	1.4
237.16251	1.3
239.17772	1.1
249.16470	1.2
257.17389	1.8
257.22623	1.2
273.18481	2.5
275.20035	2.7
283.20541	2.8
285.22086	9.2
287.20020	1.3
291.19525	3.4
297.22058	1.7
299.20334	1.9
299.23672	1.6
309.21994	1.6
311.23605	2.2
323.23608	1.7
325.24786	1.1
341.24692	8.2
417.31189	3.1
435.32535	13.0
436.32538	1.0
453.33557	4.1
473.33820	1.2
491.34927	1.1
509.36096	6.5
527.37225	100.0
528.37714	5.2
541.35254	3.7
542.35675	2.0
559.40198	32.5
560.39789	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	559.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.6
55.01856	4.7
55.05504	30.2
57.03433	11.9
57.07051	3.6
57.94367	2.4
65.03922	4.9
66.69007	2.6
67.05493	100.0
69.07053	27.3
70.00597	6.5
70.00992	5.5
71.04986	6.0
79.05018	5.6
79.05480	93.4
81.03403	9.3
81.07045	81.3
83.04957	12.1
83.08591	13.3
85.06531	4.0
91.04920	4.5
91.05463	64.7
93.06441	4.6
93.07027	86.8
95.04949	24.5
95.08591	59.5
97.06514	7.5
97.10133	6.8
105.04559	4.2
105.07018	49.3
107.04940	8.5
107.08568	31.1
109.06501	7.0
109.10133	17.2
111.08064	3.0
113.24458	2.4
117.06966	11.4
119.08559	26.6
121.10120	20.0
123.08050	6.1
123.11712	3.7
125.09586	2.3
128.06261	4.0
129.06992	15.2
131.08531	19.4
133.10107	21.7
134.17003	2.5
135.11681	13.8
137.13203	3.1
137.94046	2.2
143.08539	11.5
143.99222	2.8
145.10065	20.3
147.11665	33.8
149.13222	7.3
155.08449	3.3
157.10086	5.6
159.11696	9.3
161.09563	5.8
161.13248	10.8
169.10101	4.4
171.11690	25.8
173.13239	8.5
183.11705	3.1
185.03395	2.4
187.14719	4.2
189.12769	9.0
207.13737	18.4
211.14827	4.0
261.22293	11.8
279.15930	5.3
281.17447	30.8
292.77588	2.5
304.86203	2.7
335.25760	56.6
355.85898	2.6
381.01730	3.2
449.34061	6.2
523.37604	4.3
541.38922	74.9
559.22473	3.8
559.40051	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
60.23726	0.7
60.68305	0.6
65.25887	0.6
67.05481	2.9
69.03399	1.0
69.72411	2.0
69.72826	2.9
70.06585	1.6
70.65372	0.7
71.06908	0.6
72.78849	0.6
74.83312	0.6
79.05463	0.9
79.70851	0.7
81.03391	0.9
81.43107	0.7
82.97015	0.6
83.04967	2.4
85.02879	3.1
89.25867	0.6
91.05462	2.6
93.03410	0.8
93.07036	0.9
95.04947	1.5
97.02878	1.6
99.04443	2.3
105.07014	2.4
105.25133	0.6
107.04948	1.5
111.04427	8.0
113.05972	1.8
117.07021	1.7
123.04406	7.2
123.17469	0.7
127.03841	1.3
129.06967	1.1
131.08534	3.8
133.06450	1.0
135.04417	1.4
137.05983	1.3
139.03889	9.5
139.07552	2.1
141.06995	1.2
142.07787	4.2
143.08536	3.9
145.06412	1.1
147.04332	1.0
147.07985	0.6
151.03847	0.9
155.08502	1.8
157.10091	2.4
159.08040	14.1
160.08817	5.1
161.05994	0.8
161.09619	9.0
162.07529	1.2
162.10396	0.9
163.03868	2.9
165.06995	0.7
167.08540	7.2
169.10077	1.8
171.08008	1.0
174.78677	0.6
177.09045	1.1
178.25575	0.7
179.07158	0.8
179.08553	3.0
180.08743	3.0
181.10052	5.6
183.11685	1.5
185.09589	4.1
187.11185	1.1
189.09062	1.6
192.09366	0.8
194.10927	1.4
195.08047	1.0
197.09636	1.7
197.13239	1.1
199.11176	2.6
199.14740	0.8
205.08556	1.6
206.09451	2.1
207.11713	4.0
209.13229	4.8
210.10329	0.8
211.11241	1.2
213.12643	0.9
225.09119	1.7
225.12660	4.6
227.14301	1.8
229.12204	0.8
231.10123	2.1
235.11115	6.6
238.09937	0.9
243.13776	3.7
245.04630	1.2
251.10568	0.9
253.12201	17.8
255.06187	0.8
255.13737	1.4
257.11597	0.9
263.10513	1.0
269.11783	2.2
271.05899	1.4
271.13263	27.5
272.06277	1.2
281.11667	2.5
283.06009	1.3
287.05493	2.1
299.12762	6.2
317.13800	51.2
318.14154	0.9
335.14835	26.5
353.15811	1.8
363.14325	100.0
364.14594	1.5
381.15356	30.4
398.18030	1.8
408.08359	1.3
409.09222	2.0
419.07623	0.8
420.07880	0.9
439.10315	0.7
494.74579	0.7
533.92529	0.7
560.12653	0.9
560.23444	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	560.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	15.3
55.01850	10.9
55.05489	18.7
57.03415	8.4
60.26687	6.2
61.02910	8.5
67.05494	33.1
69.03422	32.7
69.07043	17.3
70.06584	15.4
71.04996	15.6
79.05470	21.3
81.03397	31.9
81.07050	37.1
83.04945	14.5
83.08606	17.6
84.08131	6.2
85.02892	85.7
85.06527	100.0
86.09718	8.1
87.00793	21.6
91.05474	22.8
93.07035	39.4
95.04960	11.9
95.08592	38.7
97.02867	25.3
98.20586	11.2
99.04430	20.3
99.08073	41.6
105.01843	20.5
105.07017	39.7
107.04967	9.3
107.08576	34.8
109.02872	43.6
109.06478	12.1
109.10125	44.1
111.08025	7.2
117.06995	9.5
119.08580	52.2
121.10121	54.7
123.08066	8.4
123.11657	11.7
127.03908	54.0
129.06998	8.1
131.08530	21.0
133.06496	8.4
133.10109	63.7
135.11639	9.5
137.05939	7.4
137.09567	26.5
137.13301	9.1
143.08551	19.7
145.04916	17.0
145.10101	50.2
147.11644	24.4
151.11087	16.1
157.10100	26.7
159.02893	9.8
159.11662	28.8
161.09537	13.3
161.13254	9.0
165.12708	7.5
169.10033	7.2
170.10884	12.1
171.11668	16.2
173.13260	18.9
175.14775	20.6
177.74452	7.0
185.13237	25.1
187.14780	24.9
189.12610	7.3
191.14204	9.2
198.18491	17.7
199.14777	48.4
201.16321	38.7
203.14235	11.5
222.89761	7.9
231.04935	8.0
241.19466	39.0
243.21024	26.3
251.05748	6.1
253.19557	6.8
259.20587	50.1
276.92307	9.1
277.21503	30.8
327.64090	7.5
399.10770	13.9
455.80469	7.7
507.26050	7.0
557.42889	6.4
560.29858	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	561.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
52.05498	1.1
53.03936	3.3
55.01860	3.6
65.03925	5.4
67.05485	2.3
68.99783	13.9
70.06577	2.0
70.73618	4.0
77.03902	2.0
79.05478	4.1
81.03378	3.1
83.04964	1.7
85.02880	1.3
89.03873	2.2
91.05481	5.0
93.03383	3.0
95.04952	17.9
96.77139	1.5
103.05451	2.0
105.03374	1.7
105.07027	2.0
107.04932	97.1
108.22838	1.4
111.00776	11.1
111.04420	13.7
115.05415	1.7
117.03348	2.2
119.04050	2.1
119.04922	57.0
121.02855	9.1
123.04403	100.0
127.03876	12.8
129.07045	1.8
131.04904	6.5
133.02875	1.2
133.06468	3.8
135.04390	54.8
137.02330	5.5
139.03864	28.0
145.02879	1.7
145.06447	4.2
147.04373	31.6
149.02304	11.0
149.06009	2.3
151.03860	26.3
153.05490	1.8
153.06940	1.3
155.04872	3.0
157.06429	3.7
159.04420	3.6
161.05971	6.3
163.03877	43.3
165.01801	3.0
165.05589	1.9
167.03418	3.1
169.06436	2.4
171.04411	3.7
173.02318	2.2
173.05949	4.6
173.82724	1.3
175.03900	7.7
175.07515	1.3
177.05356	6.3
179.03358	14.4
181.04927	2.3
181.06456	2.4
183.04318	2.1
185.05951	4.6
187.03893	4.9
187.07590	1.6
189.05469	4.7
191.03311	6.7
193.04965	3.9
197.05943	3.9
199.07529	2.7
201.05376	8.9
203.03346	10.8
203.07076	1.6
205.04895	1.5
213.05438	9.9
215.03384	3.1
215.06902	7.3
215.27309	1.2
217.05017	1.8
227.06987	3.1
229.04921	11.3
230.05846	1.4
231.03017	2.6
231.06459	60.8
233.04410	2.3
239.07079	1.8
241.04915	4.0
242.05756	2.1
243.02879	1.5
243.06519	10.9
244.03645	1.3
245.04411	33.9
245.08063	4.9
247.05971	36.2
251.07016	1.9
253.04967	2.7
255.06410	12.8
257.04422	13.1
257.07996	2.9
258.05164	3.5
259.05988	6.7
260.06735	4.9
261.07547	2.6
265.04935	1.6
267.06424	3.4
269.04373	5.9
269.07559	1.2
271.05911	11.0
273.07520	19.6
274.04611	2.6
274.07535	1.5
275.05386	8.5
275.41312	1.2
281.04254	1.6
283.05957	3.6
285.04044	2.5
285.07571	7.2
286.04520	1.6
287.05444	30.3
289.07001	5.3
295.06009	3.1
297.07474	2.8
299.05573	8.0
301.07254	3.6
311.05405	3.0
313.06870	2.9
315.04840	1.4
317.08231	2.3
325.07159	1.4
327.04892	1.6
341.06592	1.5
361.06848	1.8
363.08588	14.4
365.10175	5.4
379.08002	11.0
381.09625	3.3
389.05933	2.0
389.10385	2.7
391.08087	14.9
393.09634	21.1
405.09705	3.8
407.07425	14.8
407.11432	1.4
409.08994	9.7
417.09573	4.8
419.07761	3.1
421.08951	3.4
425.08521	8.4
435.10693	4.1
437.08374	2.2
525.11761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01862	4.5
55.05506	18.9
57.03422	9.2
57.07069	2.2
57.71173	1.6
65.03915	2.4
67.05138	3.2
67.05493	62.5
69.07056	13.5
70.29227	2.5
70.29628	6.0
71.04980	5.4
73.02907	1.7
79.05478	50.0
81.03395	4.3
81.07042	63.1
82.07354	2.1
83.04969	4.8
83.08607	12.4
85.06531	1.4
91.05463	30.4
93.07026	69.5
94.07352	2.2
95.04953	9.9
95.08586	65.3
95.09196	3.7
97.02866	3.6
97.06524	6.0
97.10133	4.9
99.04431	3.3
105.07016	20.5
107.04930	6.9
107.08572	47.7
109.06489	2.9
109.10126	20.0
111.04417	2.9
111.08083	2.5
117.06999	12.0
119.08554	21.8
121.06491	5.9
121.10127	25.2
123.11681	7.1
125.05950	3.5
125.09570	2.2
128.06216	1.8
129.06905	1.6
130.07785	2.8
130.36629	1.3
131.08546	10.5
133.10118	12.9
135.08058	2.3
135.11678	54.0
137.13234	2.8
143.08591	2.5
145.10092	30.8
147.08040	1.6
147.11665	7.2
148.20984	1.4
149.09608	1.7
149.13274	7.0
153.12672	1.8
157.10120	2.1
158.41319	1.8
159.11681	5.8
161.13217	3.9
163.11159	55.6
163.14813	4.4
171.11591	1.5
173.13229	4.0
176.19130	1.8
181.12231	12.1
187.14886	2.7
195.13893	1.5
209.11636	1.7
227.12744	100.0
243.21025	6.6
259.20523	2.3
261.22079	22.2
283.15332	41.2
283.18405	2.8
293.20975	1.7
317.24826	7.1
335.25751	52.6
336.25696	1.9
409.03928	1.6
460.43021	1.9
543.36749	27.5
544.36676	1.9
561.37573	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	561.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.4
53.03931	7.2
54.97748	2.7
55.01858	11.5
55.05503	49.8
57.03426	16.9
57.07055	5.3
59.04946	3.1
62.32056	2.5
62.86517	2.6
65.03928	6.4
67.05136	5.4
67.05496	100.0
69.03416	6.1
69.07059	34.9
71.04973	11.0
71.08631	2.3
71.15363	6.8
77.03923	2.3
79.05482	71.1
81.02944	2.9
81.03410	53.3
81.07043	88.4
83.04964	15.3
83.08607	37.6
84.78555	2.0
85.02895	14.2
89.51394	2.4
91.05468	89.8
93.07032	71.6
95.04960	26.9
95.08591	55.9
97.06531	15.9
97.10144	19.9
99.08075	4.2
105.06328	4.8
105.07018	77.5
107.04929	11.0
107.08582	45.4
109.06506	9.8
109.10147	40.5
111.08091	12.3
115.05453	3.9
117.07016	26.5
119.08565	62.2
121.06500	6.0
121.10125	32.0
123.08038	4.0
123.11676	7.7
125.09603	15.9
128.06215	3.9
129.06999	30.3
130.07758	3.4
131.08556	58.4
133.06499	5.6
133.10118	46.5
135.08047	6.2
135.11673	17.1
137.09619	4.0
141.06944	12.8
142.07809	4.6
143.08554	31.3
145.06488	3.2
145.10115	35.6
147.08049	6.1
147.11671	48.3
149.09612	9.4
149.13245	11.6
151.11220	4.0
153.12775	4.3
154.07916	2.7
154.11969	2.4
155.08534	12.8
157.10114	32.3
159.08051	4.8
159.11668	33.2
161.09633	3.1
161.13263	24.9
163.11150	6.6
167.08559	3.1
169.10106	12.5
171.11620	21.1
173.11786	5.3
173.13240	17.1
175.11183	11.0
175.14825	10.9
177.12700	3.7
181.10063	6.8
183.11694	12.6
185.13229	18.2
187.11020	3.2
187.14810	8.1
189.11220	10.7
189.12758	5.0
189.16518	3.3
191.10722	3.8
193.10522	4.3
193.12207	35.6
195.11700	6.3
195.13678	2.9
197.13199	6.8
199.14752	13.7
201.16379	3.2
209.13220	7.5
211.13214	41.3
211.14836	3.9
213.16354	6.7
223.14848	4.2
227.12665	12.7
229.14305	11.0
231.21159	4.8
239.18031	3.4
241.19508	22.7
257.18854	4.6
259.20587	39.3
267.15915	7.5
275.20047	9.4
277.21686	4.3
283.20374	3.3
285.16910	30.9
287.20297	2.6
297.22083	10.4
299.23575	5.8
301.21405	5.2
315.23129	16.8
333.24225	24.1
349.24335	3.0
389.26913	4.2
415.29788	3.6
423.32568	3.4
430.29422	3.1
433.30972	17.4
451.31934	19.0
463.25549	2.7
469.33035	18.4
485.32578	2.7
487.33865	7.9
515.36841	3.1
517.35101	3.7
525.35730	29.3
543.36774	89.4
544.37207	4.3
561.37805	33.7
562.38110	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	561.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	1.7
53.03937	6.7
55.01852	3.9
55.05500	21.5
57.03426	1.8
57.07059	3.2
59.04989	1.3
61.02908	1.3
65.03923	4.0
67.05492	89.4
69.03416	3.2
69.07056	15.7
69.52086	10.3
71.04976	59.2
71.05382	1.8
75.77585	1.2
77.03918	1.5
79.05479	64.4
81.03395	1.9
81.07040	100.0
82.07378	1.2
83.04953	8.0
83.08615	10.9
85.06527	7.2
88.81885	1.1
91.05461	60.8
93.07028	64.1
95.04957	8.8
95.08590	39.5
97.06517	7.2
97.10137	2.1
99.08031	1.9
105.04501	1.7
105.07012	33.8
106.25356	1.0
107.08572	32.8
109.06497	3.6
109.10130	15.5
111.08058	3.5
117.06976	12.2
119.08562	14.1
120.71496	1.2
121.10123	24.1
123.08074	1.7
123.11681	15.8
125.09669	1.5
129.06966	2.0
131.08554	12.9
133.10098	28.8
135.11674	15.7
145.10135	8.2
147.11678	5.2
149.13234	12.7
151.11139	15.8
157.10121	2.4
159.11707	10.7
161.13274	3.7
163.14932	1.8
173.13252	4.2
175.14946	1.3
177.12779	3.3
183.13785	17.8
187.13269	3.5
187.14832	2.0
195.13826	6.0
222.19127	1.3
261.22156	4.0
269.17422	2.7
285.17047	4.8
302.61826	1.2
363.25250	2.6
413.14105	1.4
437.33176	1.5
517.38892	19.9
529.38776	12.0
561.41449	56.3
562.41431	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03931	6.6
55.01872	2.3
55.05505	22.7
57.03428	3.0
57.07068	1.6
59.04990	1.4
65.03928	6.4
67.05495	90.9
69.03429	2.2
69.07057	20.7
71.04981	52.3
71.08625	1.2
77.03901	1.1
79.05480	70.9
81.03425	2.5
81.07042	100.0
82.07380	1.1
83.04968	12.6
83.08601	9.9
85.02898	1.1
85.06523	5.7
85.45028	1.1
91.05467	62.6
93.07029	66.5
94.07437	1.1
95.04951	11.3
95.08587	35.3
97.06515	9.8
97.10179	3.3
98.54128	1.0
99.08105	2.3
105.04556	2.1
105.07011	33.3
107.04964	1.7
107.08578	36.6
109.06520	4.6
109.10130	17.5
111.08098	2.9
117.06994	9.4
119.08553	13.8
121.06534	1.9
121.10113	28.3
123.08067	2.2
123.11687	18.8
123.12511	1.3
125.09591	2.6
129.07018	2.3
131.08551	17.1
133.10114	31.2
135.08066	2.0
135.11671	16.1
145.10112	8.7
145.71495	1.1
147.11665	7.5
149.13225	12.7
151.11163	15.0
153.12820	1.0
157.10159	3.1
159.11652	15.5
161.13219	5.5
163.11183	2.2
165.12764	1.3
167.10648	1.0
169.10204	1.3
169.12291	1.2
171.11777	1.2
171.64581	1.0
173.11978	1.1
173.13251	5.0
175.11113	1.1
175.14853	1.8
177.12766	5.7
179.14230	1.5
183.13773	20.1
183.15210	1.6
185.13347	1.5
187.13315	4.2
187.14807	1.6
195.12363	1.1
195.13812	6.3
201.14642	1.2
227.12820	2.9
227.16338	1.3
239.40102	0.9
241.19432	1.2
243.21358	1.3
261.22156	5.4
267.15921	2.4
269.17606	4.3
275.20154	3.1
277.21844	1.4
283.15808	1.0
283.19058	3.6
285.17090	4.1
293.21124	2.3
317.24683	1.7
327.23318	1.3
335.25974	3.8
349.27814	1.4
361.27487	4.0
363.25446	3.1
469.33420	1.6
517.38806	28.9
529.38770	9.4
531.25519	1.2
543.36847	6.9
561.41492	76.4
562.41919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
53.61317	1.0
55.01858	5.0
55.05503	25.1
57.03431	6.0
57.07061	3.7
59.04990	1.5
65.03925	6.0
67.05495	88.6
69.03420	3.2
69.07057	22.8
70.13895	1.7
70.14185	6.3
71.04983	37.2
79.05482	60.5
80.14788	1.2
81.03413	4.6
81.07045	100.0
83.04964	12.8
83.08611	15.3
85.06535	5.7
91.05466	61.7
93.07030	67.3
95.04970	10.7
95.08594	50.3
95.09200	2.7
97.06512	9.8
97.10140	7.0
99.08089	2.7
105.07013	37.6
107.04959	3.4
107.08575	42.3
109.06504	6.1
109.10140	22.2
111.04434	1.7
111.08051	4.9
115.05453	1.7
117.06995	15.7
119.08569	20.6
121.06475	2.8
121.10133	26.2
123.08044	3.0
123.11707	14.9
125.09581	4.1
129.06981	5.5
130.07761	2.4
131.08543	22.3
133.10109	32.7
135.08052	2.0
135.11665	23.6
137.09590	3.7
137.13220	1.8
142.07808	1.5
143.08545	6.3
144.09286	1.3
145.10106	18.7
147.08015	1.7
147.11652	11.9
149.09570	3.8
149.13228	11.4
151.11157	12.3
153.12660	1.6
156.49947	1.3
157.10109	5.0
159.11679	13.6
160.62857	1.2
161.13231	7.2
163.09982	1.2
163.11124	7.7
163.14819	1.5
165.12675	1.1
169.08786	1.3
169.10114	1.9
169.12233	1.9
171.11642	4.4
173.09537	1.4
173.13231	7.5
175.11177	1.3
175.14920	1.3
177.12741	4.3
179.14272	2.7
181.12192	1.5
183.11552	2.8
183.13779	9.7
185.13255	3.9
187.13297	2.4
187.14816	2.7
189.11165	1.7
195.11919	1.4
195.13823	5.4
197.13269	2.1
199.14839	1.7
227.12701	16.1
229.19415	1.2
232.20459	1.1
243.21034	2.3
251.19847	1.4
253.14291	4.6
253.17995	1.4
259.20398	2.0
261.22076	7.2
267.15891	1.4
269.17462	3.7
271.20523	1.6
275.20135	3.4
277.21609	2.4
283.15439	7.6
283.18597	1.4
285.16971	3.8
291.19516	4.8
293.21066	2.6
299.23776	1.3
317.24692	2.1
335.25699	11.2
349.27301	1.4
363.25476	1.5
423.32266	1.5
437.34103	2.4
451.31989	2.4
469.33212	2.6
517.38751	19.7
525.35760	1.8
529.38794	25.5
543.36554	13.6
561.41730	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	562.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
54.90173	0.9
55.01860	2.5
55.05490	3.5
56.05010	1.1
57.03420	3.2
58.10002	0.8
59.04979	0.9
61.02905	1.6
61.92514	0.8
67.05496	6.2
68.05013	1.0
69.03416	16.7
69.07046	4.6
70.06258	0.9
70.06582	9.2
70.72349	2.5
71.04980	4.4
72.08117	1.0
73.02889	2.7
79.05478	3.6
81.03399	12.9
81.07035	6.0
82.06556	3.2
83.08593	0.8
84.08124	1.4
85.02894	21.0
85.06468	1.3
87.00799	3.1
91.05441	2.2
93.07014	3.3
94.06556	3.1
95.04936	1.1
95.08589	3.6
96.04449	0.8
96.08114	8.1
97.02872	10.3
97.06505	1.9
99.04425	4.4
101.02296	0.9
103.03906	2.6
105.01859	1.1
105.06997	1.6
107.04956	4.6
107.08578	2.0
108.08094	3.7
109.02876	10.2
109.08813	1.1
109.10120	2.0
110.09669	2.7
115.03853	1.1
119.04930	2.5
119.08535	1.2
120.04446	1.0
120.08108	1.6
121.10150	2.0
122.09657	2.5
123.04395	3.3
124.11201	1.2
127.03890	13.2
127.09902	1.0
135.04321	0.9
137.09615	0.9
139.03883	2.3
140.10614	1.2
145.01801	0.8
145.04906	3.3
147.04430	1.1
148.07478	0.9
157.86328	0.9
159.02908	0.7
166.08766	1.2
172.03818	1.0
187.05965	2.3
229.15425	1.0
236.20049	1.4
238.21681	1.3
245.08072	0.9
252.23232	3.2
254.21210	1.4
257.04324	1.0
260.23764	2.9
268.12430	0.9
275.05389	1.0
276.23184	2.7
278.24716	39.3
280.26355	2.2
287.05658	1.4
296.22409	1.9
296.25790	34.5
314.23514	2.8
314.26819	69.5
315.08490	1.1
315.27271	1.8
356.28232	1.5
435.38968	0.9
500.32150	1.9
518.33179	48.2
519.33459	1.0
530.19733	1.0
562.32129	100.0
563.18402	1.1
563.32635	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	562.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
53.23985	3.8
55.01851	8.0
55.05499	25.3
57.03411	17.4
58.95808	3.9
61.02912	6.1
67.05495	47.8
69.03390	11.4
69.07061	32.7
69.86766	14.7
69.87196	14.8
73.60374	3.8
79.05473	30.3
81.03404	75.0
81.07037	42.2
81.62397	3.9
83.04952	9.7
83.08595	28.9
84.08143	4.3
85.02883	14.2
91.05463	44.5
93.07018	29.1
94.81834	4.3
95.04956	33.0
95.08587	14.9
97.02860	14.8
97.10136	19.4
98.20805	6.5
105.07007	37.6
107.04948	29.2
107.08569	16.1
109.06499	5.1
109.10117	12.3
111.04430	5.7
117.06975	9.4
119.04897	6.7
119.08559	22.1
121.06474	5.7
121.10101	14.9
123.04446	8.3
123.08054	5.3
125.09586	11.8
125.46706	3.9
129.06958	17.0
131.08531	17.4
133.06519	6.4
133.10115	9.7
135.08054	5.3
135.11679	5.5
135.91669	4.0
139.03845	5.2
142.07735	6.1
143.08513	6.4
145.10176	8.2
147.04410	8.2
147.07993	7.6
147.11633	13.6
149.09608	7.1
157.10104	13.3
175.11177	11.5
193.12236	26.9
200.15540	4.8
205.12222	3.9
211.13208	21.9
223.13200	16.7
245.14601	5.2
249.14691	6.0
267.13235	6.8
267.15881	79.9
273.15146	4.4
273.18442	11.7
285.16989	21.6
291.19479	100.0
365.23178	96.7
367.22580	5.8
385.23560	12.8
388.78580	4.4
433.25748	5.8
459.27432	37.3
477.28339	26.9
562.36737	6.5
580.07404	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	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.9
55.01836	1.2
55.05503	4.1
56.05002	0.7
57.03391	2.2
57.07052	0.9
58.51900	0.7
60.04491	0.6
61.02894	1.2
64.86635	0.5
65.03895	1.4
67.05495	12.9
67.29297	0.5
68.04993	1.5
69.03419	11.2
69.07059	4.8
70.06579	3.4
71.04952	2.2
73.02863	2.5
79.05482	4.0
80.04996	3.7
81.03406	8.3
81.07046	6.4
82.06561	3.5
83.08572	2.2
84.08132	3.1
85.02888	13.1
86.06011	1.1
87.00779	1.4
91.05447	3.4
93.07047	4.6
94.06071	0.5
94.06557	5.2
95.08597	6.3
96.08122	3.2
97.02877	6.6
97.10123	0.7
99.04399	2.9
103.03902	1.3
105.01785	1.1
105.06968	1.5
106.06476	2.6
107.04898	1.2
107.07281	1.5
107.08539	1.9
108.08116	3.1
109.02863	7.8
109.06432	0.7
109.10110	2.5
110.06019	0.8
110.09623	1.8
112.07545	2.0
117.06927	0.7
119.04892	0.6
120.08040	2.9
121.10075	1.6
122.09623	1.2
123.04366	0.6
124.11204	1.5
126.09140	0.8
127.03183	0.7
127.03899	7.2
131.08522	0.7
134.09615	1.6
135.04344	0.8
135.11566	0.9
138.09085	2.1
138.12726	1.4
139.03806	1.3
145.04903	1.4
145.10103	0.7
147.04420	0.6
148.11124	1.0
151.03831	0.8
152.10692	0.8
156.10176	4.1
159.11621	0.7
170.11673	0.7
187.05951	1.5
191.52983	0.7
194.19189	0.6
222.22025	0.9
234.22095	1.9
246.22081	3.6
248.23764	3.4
250.25279	4.5
258.49493	0.6
260.23700	5.0
278.24747	24.0
296.25793	95.4
297.26157	1.8
299.72867	0.6
312.63394	0.7
314.26840	71.4
315.27252	1.8
356.27841	2.6
387.54520	0.6
400.08524	0.9
465.46579	0.7
518.33179	40.8
519.33472	1.2
562.32178	100.0
563.32599	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	563.1539
Annotation	Gambiriin C
Peak:m/z	Relative Intensity
51.02361	1.4
55.01868	2.5
58.77383	0.9
61.25856	0.9
63.31529	0.9
65.03931	2.2
67.05476	1.1
68.99763	6.2
70.14451	5.1
73.66727	0.8
79.05492	1.3
82.22091	0.9
82.47081	0.9
85.02912	1.2
91.05461	8.1
95.04953	6.4
101.93712	0.9
105.07045	1.2
107.04937	100.0
111.00801	2.6
111.04456	2.3
115.05446	1.7
117.06967	1.1
119.04924	67.0
120.05152	0.9
121.02836	7.9
123.04414	53.8
127.03905	5.5
128.22102	1.0
131.04890	1.9
133.06483	7.8
135.04381	2.6
137.02342	2.0
139.03879	50.0
145.06470	11.8
147.04385	66.0
149.02332	7.5
151.02670	1.2
151.03879	19.6
157.06454	4.1
161.02347	1.0
161.05939	9.6
163.03873	7.3
165.05472	8.4
165.06734	1.7
167.03372	18.4
169.06496	2.5
171.04362	12.7
171.05644	1.2
175.03925	4.1
177.05492	3.2
179.03363	13.0
181.06461	2.0
183.08067	1.1
185.05983	5.6
187.03888	2.2
187.07568	4.3
189.05432	11.8
191.03371	14.6
193.04922	6.3
197.05893	1.4
199.07556	4.4
201.05476	3.5
203.03333	12.9
205.04924	1.6
207.06480	2.1
213.05421	3.9
215.03358	2.9
215.07007	3.0
217.04955	1.7
227.06984	7.0
229.04977	4.3
231.06497	31.6
233.04424	7.6
239.07011	3.5
240.75867	1.2
243.06523	11.2
245.04439	10.2
245.07996	6.3
251.05330	1.3
255.06488	19.6
257.04410	14.7
257.07965	1.9
258.05136	1.3
259.05984	1.3
267.06470	6.8
269.04428	4.1
271.05899	1.2
273.07553	38.0
275.05450	18.1
279.06592	1.1
285.07526	20.8
287.05435	27.6
291.08582	23.0
299.05435	5.0
303.08688	2.8
312.75943	1.0
391.08469	1.3
393.09601	15.1
395.11108	1.5
405.09409	1.4
409.09048	11.7
411.10809	4.5
427.10013	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	563.1538
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
53.03941	1.2
55.01859	1.6
57.42895	0.8
60.56526	0.8
68.99773	2.0
70.32464	1.9
70.32864	1.7
79.05463	2.0
85.02911	1.0
91.05471	2.9
95.04943	4.5
96.95227	0.9
105.03419	0.8
105.07015	1.2
107.04932	100.0
111.00792	1.8
111.04405	1.5
119.04926	24.4
121.02833	2.3
123.04405	75.0
125.03001	0.8
127.03913	1.3
127.77372	1.0
129.07014	1.0
131.04884	0.8
133.06480	2.4
135.04420	2.4
137.02386	1.3
139.03877	12.0
145.06439	2.7
147.04378	31.6
149.02315	1.2
151.03867	4.6
152.06082	0.8
157.06519	1.8
159.04367	1.0
161.05983	5.7
163.03847	6.9
165.05455	7.6
167.03377	2.8
169.06494	1.5
171.04396	3.8
173.05933	1.4
175.03862	3.2
177.05420	1.5
179.03368	10.0
179.07047	1.0
181.05011	1.0
181.06445	1.5
183.07930	0.9
185.05951	2.9
187.03870	1.0
187.07448	1.4
189.05447	5.5
191.03336	7.3
193.04907	7.0
197.05992	2.4
199.07484	1.3
201.05440	2.2
203.03337	10.5
203.07066	1.6
205.04929	1.1
207.06505	2.7
213.05455	4.0
215.03467	1.1
215.07028	1.2
217.05002	4.3
225.05402	1.0
226.96428	0.8
227.06992	2.1
229.04898	4.2
231.06476	34.7
233.04388	3.2
239.07045	3.5
241.04903	2.5
243.06551	3.9
245.04433	19.4
245.08093	1.9
253.05087	1.0
255.06465	7.5
257.04395	24.8
257.08148	1.2
258.05151	2.3
259.05920	1.9
259.70477	0.8
267.06451	10.0
269.04492	2.7
269.08057	10.2
271.06030	3.5
273.07489	7.6
275.05484	17.2
279.06580	1.4
285.07480	14.2
285.10437	1.2
287.05435	40.5
291.08582	4.1
297.07684	4.2
299.05432	15.3
303.08554	3.1
331.08167	3.2
391.07825	1.1
393.09634	18.4
395.11295	1.9
401.10446	0.9
405.09610	1.5
409.09045	26.6
409.14020	1.3
410.09723	1.1
411.10672	2.1
419.11249	12.1
421.09238	2.1
427.10168	3.5
437.12109	4.7
439.10297	5.9
563.15002	1.9
563.33173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.154
Annotation	ent-Epicatechin-(4alpha->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02363	1.3
52.64424	0.8
53.03933	1.3
55.01860	3.0
55.40791	0.7
64.02260	0.6
65.03912	1.3
67.05461	1.0
68.99760	3.4
69.03371	0.7
70.06564	0.8
71.05000	0.7
71.69971	1.3
72.08150	0.7
72.11649	0.7
72.96072	0.6
79.05492	1.1
80.24861	0.8
81.03408	1.2
85.02895	1.8
86.38466	0.8
89.38141	0.8
90.61393	0.6
91.05460	4.5
93.03365	0.9
93.91754	0.7
95.03883	0.7
95.04943	3.9
97.02877	0.8
105.03365	1.1
105.04533	1.2
107.04936	100.0
108.05269	0.9
108.89039	0.7
109.02814	0.8
111.00797	2.0
111.04432	0.9
119.04921	26.3
121.02872	1.9
123.04408	80.9
127.03903	1.3
129.06958	1.1
131.04884	0.8
133.06473	2.6
135.04372	3.6
137.02322	1.3
137.05966	1.0
137.09677	1.1
138.90065	0.8
139.03874	12.0
145.06474	3.6
147.04381	39.3
149.02330	3.0
149.05954	1.2
151.03835	6.0
157.06454	2.5
159.04417	1.1
161.02319	0.8
161.05960	6.1
163.03870	8.1
165.05467	7.1
165.06883	1.5
167.03415	3.7
169.06493	1.6
171.03146	0.7
171.04337	4.2
173.05937	1.3
175.03920	2.8
177.05315	1.5
179.03369	9.7
179.06967	1.6
181.04973	1.3
181.13622	0.7
185.05957	2.4
187.03867	2.3
189.05423	7.4
191.03368	8.6
192.03952	0.9
193.04948	6.4
197.05997	3.8
201.05481	3.2
203.03360	11.4
203.07014	1.9
205.05051	1.1
207.06499	2.6
211.07513	0.8
213.05472	4.6
215.03403	2.6
215.07043	1.9
217.04971	2.9
217.62737	0.8
223.02348	0.8
225.05406	1.2
227.06943	2.0
229.04903	4.2
231.06488	32.3
233.04422	2.3
239.06952	3.4
241.04987	1.4
243.06445	3.5
245.04404	17.4
245.07222	0.9
245.08061	1.3
249.07669	0.9
253.04866	1.4
255.06462	7.3
257.04404	24.6
257.07529	1.2
257.08109	1.0
258.05167	2.5
267.06488	8.4
269.04501	3.5
269.08072	9.7
271.05954	2.5
273.07547	8.3
275.05444	15.0
279.06522	2.0
285.07553	13.5
287.05463	35.9
291.08554	4.8
297.07327	4.1
299.05457	12.2
303.08713	2.7
331.08209	1.7
393.09561	14.9
395.11121	1.7
401.10254	1.2
405.09888	1.2
409.09055	27.7
411.10590	1.2
419.11188	14.2
421.08948	1.7
427.10126	2.3
437.12244	2.9
439.10028	5.3
545.14099	1.5
562.32141	1.2
563.16309	1.2
563.32751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71929	1.2
55.01861	3.7
56.96560	5.3
65.03938	1.9
65.62040	1.0
68.99770	6.1
69.03410	5.2
71.68794	2.1
73.64317	1.0
79.05450	1.8
81.03386	2.1
85.02884	7.8
89.03891	3.3
89.97578	1.2
91.05470	7.5
93.03406	1.5
95.04954	5.0
97.02876	4.3
98.97556	6.9
105.03368	1.3
105.06985	1.4
107.04933	100.0
109.02867	1.8
111.00784	3.5
111.04430	3.0
116.98627	6.8
117.03374	3.3
119.04922	51.9
121.02851	8.0
123.04406	41.1
127.03903	9.9
128.98576	1.9
130.88847	1.1
131.00142	4.3
131.04869	2.1
133.06467	6.0
134.99641	2.4
135.04410	9.5
137.02327	1.1
137.05945	1.9
139.03883	36.3
139.04971	1.8
143.00104	3.0
145.02821	6.6
145.04898	1.5
145.06450	10.6
145.27983	1.2
146.02252	1.3
146.99625	2.5
147.04385	64.7
148.04706	1.2
149.01184	5.9
149.02330	7.4
151.03885	17.6
157.06474	5.6
158.99599	3.4
159.04402	1.1
161.01230	2.5
161.02856	2.4
161.05946	7.5
163.03873	41.7
164.04245	2.4
165.00690	2.3
165.05463	8.4
167.03400	17.3
169.06389	1.5
171.04346	10.4
171.05644	1.3
171.07974	1.9
173.02817	1.2
175.03929	5.3
177.00670	3.7
177.05434	6.2
179.03371	16.7
181.04903	1.2
181.06415	1.3
182.99513	1.1
185.05930	4.5
187.03954	1.7
187.07516	3.4
189.00694	3.9
189.05428	9.5
191.03397	16.6
193.04930	5.0
197.01244	1.3
199.07533	2.6
200.04395	2.4
201.00615	3.5
201.05438	5.1
203.03360	10.4
205.04834	2.4
207.01756	3.1
207.06389	1.9
213.00731	1.3
213.05437	4.6
215.03346	2.5
215.07028	3.2
217.04939	1.6
219.01701	4.0
219.06464	1.3
227.07030	4.9
229.04922	5.0
231.06470	33.3
231.08760	2.2
233.04407	8.6
235.04742	1.3
237.02812	2.7
239.07043	3.9
241.05046	1.5
243.02061	1.2
243.06497	13.0
245.04512	12.1
245.08121	3.2
249.02679	2.4
251.05354	2.7
255.06496	17.5
257.04395	20.6
257.08121	1.7
258.05185	1.5
259.05798	1.4
260.99384	1.4
261.02710	2.7
267.06427	9.9
269.04480	3.4
271.05865	2.6
272.06818	1.5
273.07520	27.3
275.05472	25.6
279.03723	1.7
281.07309	1.9
285.07532	27.6
287.05441	36.8
288.05710	2.0
291.03491	1.6
291.08536	10.5
299.05505	9.6
303.08542	3.0
311.10812	1.3
335.02847	3.5
383.08051	2.2
393.04788	4.4
393.09592	21.2
395.05115	1.3
395.11215	2.6
402.05392	2.2
409.09137	12.4
411.05719	1.5
411.10648	5.5
415.02771	1.3
419.11136	2.1
427.10019	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
54.26869	1.6
55.01853	6.6
55.05500	39.8
57.03432	9.7
57.07050	4.5
59.04972	2.0
60.20045	1.6
65.03928	4.0
65.83580	1.8
67.05493	89.7
69.03404	4.0
69.07055	22.5
70.73693	1.6
71.04974	7.7
79.05479	56.1
81.03403	22.2
81.07040	100.0
83.04969	17.9
83.08599	28.2
85.02885	6.2
85.06524	5.5
86.43633	1.9
91.05463	54.1
93.07027	60.7
95.04954	20.7
95.08584	60.6
96.08932	2.1
97.06510	9.8
97.10152	19.4
99.08076	4.1
105.06332	3.5
105.07012	44.9
107.04958	5.2
107.07905	3.1
107.08569	38.6
109.06475	4.4
109.10133	37.2
111.04404	6.4
111.08082	9.0
115.05428	2.4
115.21315	1.8
117.07008	17.1
119.07731	3.2
119.08560	43.1
121.06479	3.2
121.10114	30.1
123.08019	5.9
123.11685	15.4
125.09590	9.2
128.06131	4.6
129.06970	10.6
131.08543	30.9
133.06438	2.1
133.10101	31.1
135.08005	5.2
135.11665	22.5
137.09587	5.0
137.13206	2.2
139.11130	3.6
141.06985	2.2
142.07736	3.2
143.08527	8.1
145.10095	26.1
147.07976	4.7
147.11676	21.9
149.09581	6.9
149.13193	10.4
151.11130	3.3
153.12715	5.6
155.08511	4.9
157.10094	18.2
159.11667	19.7
161.13243	8.4
163.11136	8.4
163.14810	3.6
165.12732	4.3
169.10042	4.4
171.11629	8.4
173.09520	3.1
173.11835	3.5
173.13193	13.3
175.11151	7.4
175.14769	4.4
177.12692	3.8
179.14287	3.2
181.10107	2.5
181.12190	5.0
183.11646	4.5
185.13199	6.3
187.14781	7.5
189.11165	7.2
191.10640	2.5
193.12198	22.3
195.11705	2.4
195.13788	2.0
197.13203	4.7
199.14804	3.2
201.12791	2.7
201.16333	3.1
209.13240	4.2
211.13232	29.0
211.14914	1.8
223.14937	2.3
225.16510	2.0
227.12611	8.7
229.14258	5.8
243.15785	2.6
243.21031	3.7
261.22128	16.0
267.15817	4.8
269.17398	3.4
275.19955	2.0
277.21561	3.4
279.23163	4.0
283.15381	2.0
285.16928	14.1
285.22000	4.3
299.23773	3.7
301.21545	2.5
301.25128	3.8
303.23190	9.6
317.24640	4.8
335.25833	18.8
337.23685	2.6
359.25629	3.2
417.31226	2.0
435.32513	6.5
453.33640	12.3
471.34540	10.1
473.32553	5.3
487.34061	3.3
489.35611	4.5
509.36273	2.9
527.37396	32.0
530.93970	2.1
545.38281	75.6
546.38605	4.4
563.39197	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	563.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53973	2.1
53.03929	5.1
55.01849	7.0
55.05272	2.8
55.05507	33.0
57.03433	12.3
57.07054	4.3
59.04966	2.1
65.03915	5.3
66.39118	2.3
67.05138	5.1
67.05494	100.0
69.03425	3.9
69.07053	24.6
69.61019	20.4
71.04977	7.0
79.05480	56.3
81.03394	20.8
81.07042	95.7
83.04967	15.3
83.08604	23.4
85.02884	5.6
85.06532	6.4
91.04927	3.9
91.05461	56.5
93.07031	63.8
95.04949	13.6
95.08591	70.7
97.06519	12.2
97.10154	17.6
105.07008	40.1
107.04926	8.9
107.07906	3.6
107.08578	42.6
109.06487	8.8
109.10141	32.4
111.04428	7.6
111.08055	10.6
117.06995	15.0
119.08570	34.1
121.06513	2.6
121.10133	27.8
123.08070	3.3
123.11703	12.9
125.09595	13.8
129.06953	13.1
131.08527	29.5
133.10103	32.4
135.08014	6.5
135.11697	21.5
137.09552	3.0
137.13185	3.0
139.84500	2.6
143.08517	11.1
145.10110	29.3
147.11629	21.2
147.33226	2.3
149.09599	7.3
149.13242	11.9
151.11215	5.4
153.12692	6.5
155.08502	8.4
157.10088	15.3
159.11667	21.5
161.13249	8.1
163.11176	8.3
163.14798	3.9
165.12753	4.4
167.08594	2.8
169.10123	3.4
171.11656	8.1
173.11789	4.2
173.13136	15.5
175.11185	9.0
175.14799	3.6
181.10118	2.5
181.12170	5.5
183.11684	8.9
185.13271	6.9
187.14772	8.5
189.11172	8.6
191.10677	2.9
193.12206	23.8
195.11696	2.9
197.13268	6.0
199.14819	5.5
209.13281	3.5
211.13206	31.1
219.13794	2.4
220.08415	2.3
227.12697	9.0
229.14288	4.5
243.21077	3.3
261.22110	10.0
268.15958	2.6
269.17511	3.4
279.23117	3.3
280.99222	2.4
285.16830	12.0
285.22147	7.3
288.38269	2.5
301.25092	4.3
303.23184	12.6
309.78882	2.7
317.24713	4.1
335.25748	12.3
341.24759	3.3
359.25650	3.1
417.31216	3.1
433.29971	4.0
435.32455	7.6
453.33624	12.2
471.34451	9.5
476.55353	2.8
487.33981	3.1
509.36160	4.0
527.37262	26.9
545.30078	4.6
545.38245	72.5
563.39362	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	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95811	2.7
53.03935	4.4
55.01851	8.1
55.05502	34.6
57.03430	11.8
57.07061	2.6
65.03916	3.7
67.05142	5.3
67.05492	93.9
69.03387	2.7
69.07059	31.3
70.05607	13.9
71.04977	8.5
79.05482	52.6
79.87755	2.3
81.03401	16.7
81.07043	100.0
83.04983	13.6
83.08611	26.2
85.02893	3.1
85.06520	6.6
91.05458	51.8
93.07028	63.3
95.04950	17.1
95.08002	4.3
95.08588	67.2
97.06501	16.7
97.10154	20.5
98.20775	4.5
99.08064	7.6
105.07012	50.8
107.04955	5.1
107.07926	2.7
107.08588	38.6
108.08911	3.8
109.06493	6.5
109.10147	36.6
111.04433	4.4
111.08038	6.2
117.06976	16.8
119.08568	36.5
121.06478	4.3
121.10133	28.3
123.08055	5.9
123.11705	12.6
125.09606	15.0
128.06169	3.9
129.06966	11.7
131.08548	30.5
133.06477	2.5
133.10115	28.8
135.08075	3.5
135.11665	24.1
137.09587	4.9
137.13214	3.3
139.11160	5.5
141.06960	5.5
142.07751	2.8
143.08556	10.0
145.10100	29.5
147.04451	2.4
147.11661	25.1
149.09566	8.6
149.13208	8.4
151.11163	3.9
153.12685	2.7
155.08476	7.4
157.10095	16.7
159.11674	22.5
161.09515	2.5
161.13237	14.2
163.11139	7.4
163.14807	3.4
165.12721	5.7
167.08588	2.9
169.10112	9.3
171.11649	9.6
173.09555	4.1
173.11787	5.0
173.13254	16.3
175.11136	8.5
175.14876	5.5
177.12613	2.9
181.10034	4.1
181.12183	3.7
183.11620	7.2
185.13232	11.4
187.13153	2.6
187.14772	6.2
189.11171	10.8
189.16331	3.3
193.12099	12.3
197.13226	6.3
199.14809	6.5
205.15813	2.7
209.13354	4.0
211.13199	19.7
227.12740	9.9
229.14217	5.4
241.19652	3.6
243.15823	3.8
245.13895	2.9
257.18860	2.9
259.20520	3.4
261.22092	10.8
267.15863	5.8
267.21024	2.8
275.19943	6.1
277.21637	2.9
279.23062	4.2
285.16849	9.6
285.22183	5.6
287.23593	4.2
289.21634	5.7
301.24991	5.7
303.23148	6.3
317.24701	5.8
327.23215	2.5
335.25766	14.2
359.25470	3.6
363.25360	3.7
404.50482	2.6
417.31082	5.2
435.32413	15.3
453.33511	16.0
471.34424	10.1
473.32513	4.0
487.34171	4.6
489.35510	3.4
509.36011	4.5
527.29883	3.6
527.37177	46.7
528.37354	2.8
545.38306	80.8
563.39215	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	564.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27181	0.2
55.01853	0.5
55.05494	0.3
57.03406	0.5
61.02904	0.3
66.26102	0.2
66.93217	0.2
67.05492	0.4
69.03393	0.6
69.07014	0.3
70.17902	0.4
70.18303	0.4
71.04980	3.3
73.02883	0.4
75.04442	0.3
79.05483	0.4
81.03389	0.3
81.07016	0.4
82.08210	0.3
83.04955	0.4
85.02893	5.0
86.09660	0.2
93.06990	0.3
95.04917	0.3
97.02844	0.6
98.21382	0.3
99.04408	0.2
105.49236	0.2
107.04922	0.7
107.08553	0.3
107.82744	0.2
109.02843	0.4
111.04475	0.4
123.04400	0.2
127.03864	0.8
129.05434	0.9
135.69366	0.2
147.06503	0.5
152.06157	0.3
153.06944	0.8
159.02885	0.3
165.06981	0.3
167.08463	0.2
169.06557	0.2
171.08061	0.3
180.05699	0.2
181.06458	1.4
182.07205	0.7
184.07346	0.3
185.09544	0.6
195.08057	1.3
198.06754	1.5
199.07419	0.3
213.09038	3.3
213.46289	0.2
223.14488	0.2
224.08229	0.3
225.08946	0.3
241.08562	50.2
242.08893	1.6
255.10262	0.4
256.10907	100.0
257.11243	2.5
262.89450	0.2
269.11807	0.3
280.10938	0.2
280.22873	0.6
298.11700	0.5
298.23749	1.2
316.24680	0.4
317.06506	2.6
409.74179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95073	2.1
52.23174	1.5
53.03934	3.5
55.01861	3.1
55.05493	7.5
55.75974	1.7
57.03421	3.2
61.02912	2.3
65.03931	2.3
67.05492	26.4
68.89560	1.8
69.03384	3.7
69.07050	14.4
70.06578	1.9
70.15497	6.5
70.15913	2.4
71.04983	3.9
73.02905	2.2
76.35819	1.7
79.05473	25.1
81.03402	5.8
81.07042	67.7
83.04977	5.0
83.08602	10.3
83.09893	1.7
85.02880	5.8
91.05460	21.2
93.07021	17.3
95.04951	11.2
95.08594	15.9
97.02870	3.7
97.05870	2.3
97.06510	6.5
98.20667	1.9
99.08062	2.7
101.48991	1.7
105.07003	19.8
107.04937	9.2
107.08587	15.6
109.06503	27.8
109.10125	8.1
111.08045	4.4
117.06990	4.5
119.08581	16.5
121.06487	2.5
121.10101	10.0
123.04407	3.3
123.08041	5.6
123.11669	3.0
127.03935	3.4
129.06984	2.8
131.08557	6.7
133.10115	17.2
135.08014	4.8
135.11687	5.0
137.09596	3.0
139.03888	2.3
145.06485	3.3
145.10094	9.7
147.11691	12.4
149.09605	5.3
149.13242	4.9
151.72968	1.8
155.08479	2.6
157.10014	3.3
159.11650	7.8
161.09581	2.0
161.13293	3.3
163.11143	5.9
165.12708	3.6
173.09694	1.8
173.13231	2.5
175.11163	3.1
177.12730	2.5
179.14238	2.0
207.13666	1.9
247.20528	4.2
257.18817	4.2
275.19995	59.0
293.21036	10.2
302.04025	2.8
317.06512	23.4
349.23645	100.0
350.24084	2.7
367.24762	70.5
395.86142	2.0
431.58298	1.9
476.79105	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.0
54.69735	3.5
55.01855	9.0
55.05510	17.5
57.03437	15.4
61.02917	5.3
67.05496	57.0
69.03429	7.5
69.07061	27.2
69.51426	23.1
69.51846	7.1
70.03741	3.1
70.06586	3.1
71.04983	8.3
71.34023	3.2
73.02909	3.9
76.65657	3.1
79.05475	43.3
81.03394	17.2
81.07045	76.8
83.04977	13.4
83.08603	13.5
85.02888	18.4
85.06557	3.6
91.05472	36.6
93.07034	59.4
95.04964	11.9
95.08582	26.3
96.58071	3.4
97.02892	7.0
97.06525	20.9
97.10143	7.0
101.07172	3.6
105.07011	28.5
107.04939	10.5
107.08591	29.5
109.02870	6.1
109.06522	5.0
109.10130	16.6
111.08007	5.2
117.07005	12.2
117.49843	3.1
119.08563	22.1
121.06506	7.4
121.10116	19.1
123.11661	5.3
125.09608	5.6
127.03925	10.1
131.08556	23.3
133.10085	22.5
135.08057	7.5
135.11679	20.0
137.09601	5.3
145.10085	20.4
147.11676	15.0
149.09599	13.1
149.13223	18.2
155.08530	4.3
157.10124	4.2
159.11684	22.2
161.13284	8.4
163.11176	9.9
171.11697	5.0
173.13255	7.8
177.12737	24.5
179.14345	5.3
183.11531	3.7
195.13823	8.8
197.11302	3.6
239.17886	6.0
255.15901	46.8
257.19046	8.0
269.17432	100.0
275.19986	26.9
302.03998	3.7
306.62753	3.7
317.06497	32.7
346.31915	4.3
349.23746	61.6
367.24762	17.2
371.32492	3.3
413.21515	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	564.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49339	5.9
53.03926	11.8
55.01857	12.6
55.05491	25.1
55.56476	5.8
56.95029	5.7
57.03410	23.3
61.02897	13.7
64.54557	5.5
66.69432	6.3
67.05492	78.0
69.03407	22.9
69.07049	24.1
71.01306	6.4
71.04951	8.1
73.02861	6.1
75.55800	5.8
79.05479	68.9
81.03395	29.4
81.07042	98.3
83.04963	15.7
83.08596	23.3
84.63393	6.0
85.02895	29.4
87.00825	10.0
91.05463	54.8
93.07037	80.4
95.04937	27.1
95.08592	42.7
97.02878	25.8
97.06469	14.4
97.10162	12.4
98.20676	16.8
99.04409	8.1
99.08070	6.3
103.05419	7.4
105.07011	76.3
107.04922	23.8
107.08572	48.5
109.02869	13.4
109.06513	8.4
109.10139	20.9
117.07000	30.0
117.90166	6.1
119.08551	45.6
121.06419	9.2
121.10125	25.3
127.03871	20.9
128.06267	6.2
129.07010	18.8
131.08533	40.6
133.06480	8.5
133.10112	49.0
135.08057	15.2
135.11665	23.8
137.09642	7.8
143.08496	17.9
145.10060	40.7
147.11671	24.6
149.09514	13.5
149.13197	14.7
151.11111	6.9
153.01878	8.3
157.10120	21.6
159.11693	44.1
161.13231	12.4
163.11131	13.3
169.10146	10.1
171.11632	8.6
173.13200	17.5
177.12756	8.9
183.11690	10.4
185.13277	15.3
199.14693	9.9
203.14240	12.9
217.15898	12.5
219.17256	9.9
229.76968	8.0
239.17903	15.8
255.15919	32.9
257.18945	28.5
269.17422	52.4
275.20105	59.0
284.86069	8.2
309.20694	14.3
315.04718	7.7
317.06494	100.0
349.23575	90.3
367.24738	22.2
371.11136	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	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56231	0.6
53.03941	4.1
53.04160	1.0
55.01857	2.2
55.05502	6.2
56.05011	2.3
57.03420	4.4
58.02928	0.7
60.04502	2.8
61.02922	3.5
67.04279	0.5
67.05493	7.6
68.04989	0.9
68.99752	0.7
69.03040	1.1
69.03415	20.6
69.07052	5.0
70.06578	2.4
70.35099	2.6
70.69426	0.6
71.04971	2.4
71.08613	0.7
72.04496	1.1
73.02908	4.3
74.06053	0.7
77.17039	0.7
79.05472	3.9
81.03398	14.3
81.07037	8.5
82.06562	2.2
83.04945	0.8
83.08604	2.2
84.08113	1.0
85.02886	21.4
86.06056	3.3
87.00797	1.7
87.04437	1.5
88.34650	0.6
91.05450	2.6
93.07021	2.8
94.06568	1.2
95.04955	1.2
95.08588	6.9
96.08104	3.9
97.02867	8.2
97.06507	1.1
97.10163	1.5
99.04444	5.0
100.07593	0.7
103.03933	3.2
105.07008	1.6
105.97997	0.6
107.08574	1.9
109.02851	12.1
109.10143	3.0
110.09660	1.5
111.85052	0.6
112.07578	1.4
113.08402	0.8
114.09162	2.2
119.08585	1.2
121.10081	1.3
123.11720	0.9
126.09138	1.2
127.03889	14.9
139.03804	0.7
145.04871	3.0
147.11705	1.0
153.01913	0.8
178.55721	0.7
187.06067	3.2
196.16972	0.6
199.60281	0.5
211.50450	0.6
228.23280	1.0
236.23734	1.2
254.24734	5.4
262.25256	1.6
280.26306	18.3
281.26920	0.6
281.78375	0.7
296.25867	0.8
298.27356	46.5
299.27689	1.3
302.04126	1.2
303.05115	0.7
316.28406	56.2
317.06433	8.9
317.28934	1.4
322.27313	0.7
326.26852	1.6
338.42090	0.7
340.28238	3.4
358.29523	2.0
460.32672	0.9
478.33853	2.4
502.33704	3.7
520.34717	53.5
521.35004	2.7
546.32477	1.3
564.33673	100.0
565.33954	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01868	10.0
55.05499	21.4
55.92948	5.6
56.47928	4.2
57.03424	17.2
61.02914	6.6
65.17774	4.9
67.05496	68.1
69.03423	14.4
69.07061	27.9
70.95338	5.5
70.95657	10.3
71.04984	9.1
75.19202	5.4
79.05486	53.6
79.49894	5.6
81.03423	14.3
81.07045	85.1
83.04985	9.3
83.08609	18.1
83.46549	4.8
85.02885	12.6
91.05463	38.4
93.07034	58.8
95.04936	13.3
95.08606	30.8
97.02876	8.4
97.06517	19.0
97.10162	9.3
99.08063	8.1
105.07018	28.7
107.04928	10.4
107.08594	39.2
109.06479	9.9
109.10115	12.3
111.08089	6.6
117.06989	19.6
119.08533	25.7
121.06514	8.0
121.10139	21.6
123.08033	9.7
123.11674	6.2
125.09630	12.4
127.03874	12.6
129.05486	5.1
131.08548	22.0
133.10133	22.1
135.11678	20.5
137.09511	5.0
139.03935	4.8
143.08510	6.0
145.10124	18.7
147.11642	10.5
149.09605	12.5
149.13240	21.0
159.11607	31.3
161.13234	5.9
163.11166	10.7
171.11688	6.7
173.13287	13.9
177.12727	28.8
179.14265	10.6
183.11598	5.5
197.13232	6.8
221.97031	5.2
229.19534	7.8
250.15038	4.9
255.15851	43.2
257.18967	13.5
260.18167	5.8
269.17477	100.0
275.20087	51.0
317.06485	29.5
349.23685	85.2
367.24579	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	564.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01862	2.9
55.05281	0.5
55.05502	6.4
56.04770	0.5
56.05014	3.1
57.03416	3.7
57.07043	0.9
60.04517	3.9
61.02901	1.6
65.03928	1.2
67.01871	0.7
67.05494	11.2
68.04995	1.8
68.99769	2.2
69.03418	16.1
69.07054	6.7
70.06584	3.2
70.98592	0.5
71.01338	0.8
71.04966	1.8
71.70330	0.6
72.04497	1.4
73.02907	4.0
74.06060	0.8
79.05470	5.4
80.04992	0.7
81.03403	13.3
81.07046	9.9
82.06547	2.1
83.01317	0.7
83.04945	1.3
83.08605	3.2
84.08115	2.5
85.02380	1.2
85.02889	21.1
86.06033	3.7
86.09653	0.9
87.00800	4.3
87.04446	1.0
91.05453	3.9
93.03365	1.0
93.07035	4.3
94.06548	2.1
95.04931	1.7
95.07288	0.7
95.08594	8.3
96.08103	3.2
97.02869	8.7
97.06522	0.7
97.10164	0.8
99.04441	4.7
103.03918	2.2
105.01836	2.5
105.06999	3.1
107.08598	2.7
108.08122	0.9
109.02862	12.0
109.10130	4.1
110.09649	1.4
111.04433	4.0
112.07564	1.7
114.09163	2.8
117.01821	0.7
118.36832	0.5
119.08537	1.6
121.02856	0.9
121.10120	1.8
122.09678	0.6
123.04414	2.6
123.11689	0.9
127.03891	17.4
129.01846	0.8
129.06981	0.8
133.10121	0.9
135.11647	0.8
137.02351	0.6
138.12782	0.6
139.03874	100.0
140.04245	0.6
145.04912	2.7
147.04398	1.4
151.03873	11.1
153.01785	2.6
159.02827	2.7
161.06032	1.2
163.03883	3.9
165.05470	0.7
167.03349	1.2
169.94019	0.6
171.04462	0.6
177.05406	1.0
179.03369	1.0
181.04955	1.1
185.05968	1.9
187.05988	1.6
189.05441	1.4
196.05147	0.9
197.06029	0.9
199.03870	1.0
201.05481	2.0
203.07025	1.0
209.06071	0.7
210.22226	1.3
212.04585	0.8
213.05405	2.0
214.06223	1.6
215.06877	1.2
217.04999	1.9
225.05399	0.9
227.07149	0.8
229.04921	3.5
231.06494	2.1
236.23712	6.8
237.05464	1.2
241.04935	1.9
242.05725	2.5
243.06516	2.5
245.04257	1.1
250.25285	0.8
253.04866	1.2
254.24825	1.7
255.06514	1.8
257.04535	1.0
259.06018	5.9
262.25290	6.4
269.04446	0.9
270.05215	2.2
271.05881	5.3
274.04648	1.6
277.06961	3.3
280.26300	50.6
283.05954	0.7
285.03864	1.2
287.05582	0.6
288.06183	3.4
289.06937	1.7
298.27347	39.3
299.28009	0.9
302.04071	5.9
316.28415	49.6
317.06506	45.1
321.29852	0.6
340.28403	0.7
358.29428	2.6
367.08105	1.0
379.08221	1.4
391.07861	1.0
403.08136	0.8
409.09009	3.0
421.09219	0.8
426.09399	4.2
427.10147	11.2
478.34003	1.6
484.33167	0.6
502.33679	1.6
520.34741	33.9
546.32379	1.6
564.33691	91.3
565.12915	4.1
565.34082	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01859	1.5
57.03419	0.7
61.02919	0.7
61.56843	0.1
62.19344	0.1
65.03924	0.1
68.92914	0.2
68.99777	1.0
69.03046	0.2
69.03419	4.6
71.01341	0.2
71.04975	0.6
73.02907	1.1
81.03403	6.1
83.01328	0.3
85.02888	8.6
87.00809	4.3
91.03918	0.4
92.02608	0.8
93.03387	1.0
97.02882	3.2
99.04438	1.8
105.01851	2.2
109.02853	4.8
111.00755	0.4
117.01843	0.9
121.02834	0.7
126.03139	0.4
127.03892	7.0
129.01802	0.4
139.03859	0.3
145.04930	1.7
147.02841	0.5
151.03894	0.9
153.01804	6.5
157.16187	0.2
159.02864	3.5
165.01804	0.6
173.05978	0.1
177.05450	0.3
183.02905	0.2
200.04672	0.2
201.05421	0.4
203.03319	0.2
213.03775	0.3
213.05539	0.2
217.04927	0.8
218.05655	0.5
228.04146	1.2
229.04932	2.1
231.02843	0.4
231.04984	0.9
243.06560	0.2
245.04375	1.0
246.05183	1.5
256.03864	0.2
257.04373	1.9
260.03024	0.2
261.07501	0.2
271.06055	0.3
273.03885	1.6
274.04669	3.8
284.03149	0.4
285.03909	2.9
288.06183	0.4
299.05386	0.2
302.04156	11.5
317.06497	100.0
318.06918	1.1
359.07501	0.7
383.07242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1179
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	2.5
54.60995	0.1
55.01863	2.3
57.03423	1.2
57.13046	0.1
61.02915	1.2
65.03914	0.2
68.99769	1.4
69.03417	7.8
69.79681	0.6
69.80108	0.5
71.04966	1.2
72.07465	0.1
73.02905	1.7
73.28209	0.1
81.03403	10.2
83.01302	0.2
85.02888	12.5
85.16319	0.2
87.00812	6.9
87.04455	0.2
91.03927	0.5
92.02591	1.0
93.03390	1.2
97.02872	4.6
99.04436	3.1
102.89365	0.2
103.03963	0.2
105.01846	2.9
109.02858	7.5
117.01824	1.2
118.13268	0.1
121.02869	0.9
123.05938	0.1
126.03104	0.4
127.03890	9.4
129.01836	0.9
131.04887	0.2
137.02287	0.2
137.19121	0.2
139.03877	1.2
145.04939	2.4
147.02852	0.4
151.03830	0.7
152.65492	0.1
153.01796	8.3
158.33502	0.1
159.02856	4.7
163.03848	0.2
165.01791	0.6
166.02565	0.1
173.05823	0.2
177.05394	0.3
183.02866	0.3
187.03853	0.2
200.04686	0.3
201.05507	0.8
203.03375	0.3
217.04913	0.8
218.05739	0.5
219.02846	0.3
226.06006	0.2
228.04103	1.6
229.04907	4.0
231.02896	0.3
231.05006	0.8
245.04422	1.4
246.05183	2.0
256.03647	0.4
257.04370	2.8
260.03180	0.5
271.06097	0.2
273.03882	1.7
274.04660	4.4
284.03079	0.6
285.03873	5.1
286.04416	0.2
288.06302	0.3
301.03439	0.2
302.04160	13.4
303.04633	0.3
317.06497	100.0
318.06863	2.2
356.48300	0.2
359.07578	0.3
359.11969	0.2
425.54178	0.2
498.49475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
57.03434	0.6
61.02895	1.2
69.03101	0.4
69.03421	5.0
71.04976	0.8
71.14066	0.8
71.14400	0.6
73.02895	0.6
79.81989	0.4
81.03407	3.8
85.02892	5.6
85.49166	0.3
87.00823	2.4
92.02632	0.9
93.03383	0.8
97.02882	8.9
99.04430	2.4
105.01843	1.2
109.02869	2.6
121.02830	0.6
126.38723	0.4
127.03888	3.8
131.59557	0.4
139.03864	2.3
145.04926	4.1
151.03899	1.3
153.01790	6.3
159.02890	0.6
165.01793	0.7
175.11110	0.4
187.80113	0.4
201.05569	0.5
214.20221	0.4
217.04900	0.8
217.90228	0.4
218.05679	0.6
228.04045	1.3
229.04956	2.1
231.02898	0.5
231.05009	0.5
245.04410	1.1
246.05246	1.5
257.04465	1.7
273.03903	1.6
274.04709	3.2
285.03928	2.3
302.04169	11.7
305.66550	0.4
317.06516	100.0
318.06845	2.9
329.06494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1178
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	1.5
55.01865	1.3
55.05473	0.2
57.03421	0.9
61.02927	1.1
65.03912	0.3
67.05491	0.3
68.99765	0.6
69.00101	0.1
69.03418	5.2
69.38246	1.7
71.04971	0.7
73.02911	1.1
79.05454	0.2
81.03401	6.8
81.07030	0.4
85.02891	7.8
85.07655	0.4
87.00814	3.8
91.03925	0.5
93.03394	0.3
93.06992	0.2
95.04933	0.7
95.08575	0.4
97.02243	0.2
97.02869	2.8
98.20718	0.3
99.04435	2.1
100.55672	0.2
105.01836	2.4
105.06996	0.2
107.08566	0.5
109.02857	5.4
109.10149	0.2
115.03862	0.2
117.01796	0.7
120.00196	0.2
121.02833	0.6
121.06516	0.2
123.04414	1.3
124.01541	0.3
125.02312	0.5
127.03887	6.7
129.01804	0.6
133.10027	0.3
137.02319	2.0
139.03854	0.3
143.08626	0.2
145.04927	2.2
145.10072	0.2
147.02863	0.4
149.02345	0.2
151.03877	1.0
153.01768	0.2
159.02866	2.8
163.03859	0.6
167.03377	2.7
179.03340	1.2
180.04164	0.3
180.09132	0.1
183.04318	0.2
184.05092	0.2
187.07501	0.2
191.03482	0.2
197.04417	0.6
200.04637	0.4
205.08643	0.2
208.81181	0.1
213.03838	0.2
215.07019	1.3
218.05727	0.2
225.09180	0.1
228.04123	0.5
231.04950	1.0
243.06511	3.2
256.03607	0.2
257.04333	0.1
261.07495	0.6
270.57169	0.1
271.06000	2.0
273.03851	0.4
274.04678	2.6
285.03827	0.2
288.06198	0.5
299.05411	0.4
299.20023	0.2
302.04190	2.8
316.28674	0.2
317.06497	100.0
318.06833	1.6
359.07870	0.2
564.33398	0.4
565.26105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1348
Annotation	Theaflavin
Peak:m/z	Relative Intensity
53.03936	2.5
55.01860	2.4
55.05506	2.8
56.05012	1.0
57.03412	1.0
60.04507	0.8
61.02900	1.1
65.03921	1.1
67.05498	4.8
68.04996	0.5
68.99769	1.7
69.03419	7.4
69.07065	2.0
69.43148	3.7
70.06566	0.9
71.04988	0.8
73.02884	1.5
79.05493	1.7
81.03405	7.0
81.07052	3.8
82.06561	0.5
83.01302	0.4
83.04959	1.4
83.08601	1.0
84.08124	0.5
85.02380	0.6
85.02894	10.5
86.01810	0.3
86.06103	0.7
87.00813	2.9
87.04429	0.5
91.05455	1.5
92.22336	0.4
93.03373	0.9
93.07019	2.2
94.06476	0.3
95.04924	1.2
95.08070	0.4
95.08598	3.3
96.08112	0.9
97.02879	4.6
97.10128	0.5
98.20697	0.5
99.04440	2.7
99.66714	0.4
103.03885	0.7
105.01830	1.5
105.07008	1.6
106.32325	0.4
107.04932	0.5
107.08568	1.5
109.02862	6.1
109.10130	1.5
111.04431	3.7
114.09148	0.7
115.05453	0.6
119.04881	0.4
119.08515	0.6
121.10125	0.6
123.04401	2.4
123.11652	0.8
127.03898	10.7
128.04218	0.7
128.06258	0.6
129.01785	0.6
129.06903	0.3
133.06519	0.4
133.10107	0.8
135.08032	0.4
137.02318	0.9
137.05951	0.6
137.09578	0.4
139.03876	100.0
140.04214	1.1
145.04939	1.9
145.06474	0.6
145.10068	0.7
147.04349	0.4
151.03886	12.5
153.01782	2.2
153.05458	0.5
157.06500	0.8
159.02878	2.7
159.08040	0.5
161.05872	0.5
163.03889	3.5
165.05469	0.7
167.03389	1.1
167.07048	0.9
169.06430	0.9
171.04445	0.5
176.65919	0.4
177.05440	0.4
179.03322	0.4
181.04979	0.9
181.06448	0.5
183.04381	0.8
185.05951	0.6
187.06027	0.8
189.05486	0.9
197.05957	1.6
199.03871	1.0
201.05435	1.3
203.06938	0.6
205.04790	0.5
209.05843	0.4
210.21887	0.4
213.05470	1.2
215.06999	1.5
217.04959	2.1
219.10051	0.4
225.05457	1.0
227.06943	0.7
228.04124	0.9
229.04898	3.2
231.06592	1.8
236.23759	1.8
237.05443	1.1
241.04991	1.0
242.05627	0.4
243.06453	2.7
245.04433	1.1
246.05237	0.5
253.04933	1.0
254.24695	0.6
255.06424	1.7
257.04437	1.1
259.05981	4.4
259.09995	0.6
261.07556	0.4
262.25284	1.3
263.25662	0.5
270.04965	0.4
271.05927	4.7
273.03708	0.4
274.04739	2.0
277.06995	3.9
280.26337	10.8
281.26678	3.8
283.06009	1.5
285.04056	0.8
288.06262	0.6
289.06882	1.5
298.24033	0.5
298.27356	9.7
299.19809	0.4
299.27722	4.5
301.03384	0.5
302.04199	6.9
316.28421	12.8
317.06512	52.0
317.28729	4.7
318.06787	1.2
367.08047	0.9
379.08051	1.3
391.08261	1.0
397.09143	0.5
403.07968	1.0
409.09213	3.2
421.09137	0.8
427.10205	12.1
428.10791	0.4
479.11929	1.0
502.33640	0.5
520.34735	6.9
521.34979	5.1
546.32257	0.6
564.33740	16.9
565.13281	5.1
565.34076	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	565.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87942	0.8
61.37740	0.8
69.03423	2.1
70.06577	1.1
71.04829	2.4
81.03402	2.0
85.02872	3.0
95.01337	1.3
97.02864	1.6
107.04926	7.0
107.15561	0.9
108.05246	3.0
111.00831	0.8
119.04868	2.3
123.04417	5.8
124.04790	1.5
127.03854	1.6
137.05948	2.0
139.03871	2.3
141.84840	0.9
147.04370	2.6
148.04739	1.1
151.03877	3.0
153.01810	2.0
159.02904	1.3
182.08394	1.1
191.05629	1.1
197.10704	8.5
201.10126	1.9
208.07463	1.1
209.10690	2.6
211.08664	4.7
211.12294	1.1
212.09447	1.5
213.10266	2.5
219.10182	1.3
221.10780	1.1
223.08652	3.4
224.09419	7.9
225.10204	24.4
226.10971	3.7
227.08109	1.3
227.11761	2.2
228.08783	1.8
229.04916	1.8
229.09636	1.7
235.08714	1.2
237.10216	12.3
238.11006	6.4
239.08141	2.5
239.11803	3.9
240.08876	2.7
241.09631	2.8
245.04521	1.5
249.10208	4.5
251.08078	21.0
252.08821	2.2
253.09691	29.0
254.10316	2.2
255.07550	1.3
255.11250	3.2
257.04446	1.4
265.09683	24.4
266.07629	1.5
266.10461	28.4
267.07593	3.7
267.11234	19.7
268.11951	4.8
269.09113	2.3
270.09891	1.1
273.12305	2.5
274.07767	1.0
277.09695	1.9
279.07739	4.9
279.10388	1.0
280.08301	1.3
281.06088	1.2
281.09192	24.2
282.09955	2.0
283.10675	5.7
284.11380	3.3
287.05377	1.8
288.05844	1.3
289.06097	1.3
293.09131	14.5
294.09933	34.4
295.10690	18.3
296.11505	10.5
297.08673	3.0
299.10397	1.5
302.04111	3.8
305.08798	1.1
307.06955	1.2
311.10214	3.9
312.10989	8.5
313.11508	1.6
317.06470	17.5
321.08688	11.4
322.09155	2.9
329.11307	3.1
330.12048	4.9
339.09702	40.9
340.10483	16.1
344.13458	1.2
357.10651	1.5
371.12180	1.4
372.12863	1.1
381.10773	1.2
389.13464	2.3
390.13690	3.6
399.11819	1.3
401.13556	1.4
409.09473	1.8
411.10147	1.7
421.11884	1.2
427.11063	1.1
429.12738	1.8
441.12650	2.9
443.14374	1.6
447.14078	1.0
469.12378	27.3
471.13928	12.5
473.11838	1.6
487.13428	33.0
488.13669	1.3
497.11789	14.5
505.14426	2.9
515.12903	100.0
516.13086	3.9
519.15784	2.9
533.14288	5.0
547.15417	5.8
551.34088	1.1
565.16528	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	565.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77553	2.0
53.03933	2.5
55.05493	7.7
57.07059	5.9
59.04983	2.7
64.66813	2.1
65.03918	2.5
67.05493	16.5
68.21102	2.1
69.03431	2.9
69.07047	10.6
70.29510	8.1
70.29914	4.9
73.57680	2.0
75.11396	2.1
79.05482	19.1
80.25040	2.3
81.07051	27.4
83.05004	2.0
83.08603	6.7
83.40136	2.3
85.06522	4.1
87.20651	2.6
87.47730	2.8
87.55161	2.8
91.05463	33.7
93.07028	34.4
95.04951	7.5
95.08589	25.0
97.10168	3.1
105.07016	43.9
105.54999	2.2
107.08575	26.3
108.04390	2.3
109.06515	4.6
109.10137	17.3
111.08041	2.4
114.49892	2.2
115.05411	4.0
117.07007	10.9
119.08566	54.5
121.10123	36.8
123.08067	8.7
123.11683	7.6
128.06226	8.0
129.06999	9.8
130.07774	4.6
131.08546	21.1
133.10126	27.2
135.08029	7.4
135.11700	10.8
137.09596	6.0
139.37384	2.4
141.06967	6.2
142.07767	16.1
143.08543	25.9
144.09322	5.0
145.10106	37.7
147.08038	5.7
147.11664	10.8
149.09549	4.3
149.13332	2.4
151.07539	5.4
153.06882	2.5
154.07800	3.3
155.08534	9.4
156.09319	13.6
157.10106	31.4
158.10902	5.3
159.08022	4.2
159.11656	15.4
161.13206	5.4
163.11182	4.5
165.07018	4.9
165.09082	13.9
167.08527	8.8
167.10678	7.2
168.09262	3.6
169.10106	17.9
170.10832	6.0
171.11638	20.5
173.09534	3.5
173.11819	3.3
173.13211	18.2
175.14830	6.0
179.08557	9.4
181.10124	9.7
181.12308	3.0
182.10925	7.0
183.11694	17.0
184.12462	4.5
185.13254	11.6
187.14827	6.8
192.09329	4.0
193.10115	8.9
194.10863	7.9
195.11667	17.5
196.12447	5.2
197.13263	14.7
199.14859	12.1
201.16502	3.2
203.14268	6.9
205.10176	4.3
206.10869	6.5
207.11705	12.1
207.13582	4.2
208.12279	2.9
209.13239	19.9
210.14035	3.1
211.14836	6.9
213.16347	4.8
217.10297	2.4
219.11719	4.6
220.12489	4.8
221.13266	12.6
221.15379	29.1
222.13986	2.7
223.14810	8.1
225.16498	3.2
231.11702	5.9
233.13275	6.5
233.15401	2.7
234.13872	3.8
235.14851	8.8
237.16418	4.0
239.17989	3.8
243.11630	3.0
244.12447	4.5
245.13193	7.0
246.13968	3.1
247.14764	4.4
249.16360	7.7
251.17924	5.0
253.19633	4.0
257.13190	3.2
259.14792	4.2
261.16351	5.7
263.17831	5.9
265.19516	6.1
271.14719	2.6
273.16269	3.9
275.17944	5.3
277.19467	5.7
279.21161	3.3
283.14453	2.7
289.19461	2.8
297.16299	3.0
299.17825	2.7
301.19312	3.7
315.21375	3.3
317.06580	3.3
329.22806	2.9
331.24380	3.4
355.24094	3.4
357.26007	5.2
377.25024	2.5
437.68378	2.5
473.34311	11.7
529.38782	3.3
547.39246	11.9
565.40344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.403
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.54275	1.1
53.03924	3.1
55.05504	8.2
57.07063	3.9
59.05015	1.5
65.03932	2.4
65.18699	1.1
67.05495	16.8
69.03412	5.1
69.07054	13.2
71.59534	2.3
77.03915	1.2
79.05482	14.8
81.07042	18.9
83.04971	3.3
83.08616	5.8
85.06525	3.5
87.53591	1.0
91.05466	26.0
93.07030	32.2
95.04947	9.5
95.08593	18.8
97.06543	3.5
103.05495	2.5
105.04465	1.5
105.07014	48.3
107.08583	28.0
107.17947	1.1
109.06472	5.2
109.10146	14.9
111.08072	1.0
115.05426	3.8
116.06284	1.4
117.06990	8.6
119.08561	52.4
119.09419	2.5
121.06533	1.7
121.10130	36.0
123.08031	7.6
123.11684	6.3
125.05986	1.4
128.06201	7.7
129.06996	9.4
130.07784	5.3
131.08540	19.2
133.06487	1.4
133.10104	31.2
135.08041	6.0
135.11674	11.2
137.09590	4.8
139.11166	1.9
141.06960	5.7
142.07753	14.5
143.08537	27.7
144.09308	4.6
145.10107	33.6
147.08046	6.4
147.11641	10.2
149.09579	5.2
149.13330	1.7
151.07527	3.5
153.07013	1.5
154.07715	2.5
155.08530	11.8
156.09320	11.0
157.10103	33.1
158.10855	6.6
159.08092	2.7
159.11655	16.3
160.12465	1.2
161.09642	2.8
161.13220	4.8
163.11195	2.6
165.06958	5.2
165.09081	7.3
166.07785	2.9
167.08548	7.8
167.10622	15.4
168.09344	4.2
169.10097	18.1
170.10896	5.3
171.11656	22.3
172.12524	1.4
173.09625	3.2
173.13232	18.1
175.11140	1.8
175.14804	4.7
179.08537	7.9
180.09355	3.3
181.10078	10.7
181.12219	3.6
182.10863	7.7
183.11685	17.5
184.12436	3.9
185.13217	12.9
187.14810	5.9
189.12721	2.3
191.14351	1.5
192.09320	3.5
193.10085	12.3
194.10872	5.7
195.11678	13.9
196.12468	4.9
197.13210	14.7
199.14757	9.8
201.12796	1.5
201.16396	2.6
203.14278	7.2
204.09491	1.2
205.10118	4.1
205.15843	1.3
206.10907	5.3
207.11688	14.6
207.13646	2.9
208.12511	5.9
209.13232	17.3
209.15237	1.8
210.14059	3.3
211.11229	1.7
211.14793	9.8
213.12831	2.1
213.16357	4.5
215.14218	2.5
217.10115	3.3
217.15834	1.7
218.10941	3.3
219.11668	6.2
220.12309	6.3
221.13239	11.7
221.15392	18.9
222.14056	3.1
223.14786	9.4
225.16402	4.8
227.14394	1.8
229.10123	1.7
230.11047	1.6
231.11678	4.4
232.12465	3.9
233.13213	8.9
233.15382	6.8
234.14032	4.2
235.14757	7.9
236.15575	2.3
237.16272	7.0
239.14362	1.6
239.17903	4.1
243.11687	3.3
244.12485	2.6
245.13165	7.5
246.13998	2.5
247.14812	6.8
247.16968	2.0
249.16348	6.8
251.18033	5.6
253.19496	3.5
257.13263	3.3
257.19067	1.6
258.14169	1.8
259.14752	7.9
260.15524	3.6
261.16232	6.6
263.17926	6.3
265.19379	7.3
267.20920	1.4
269.13199	1.7
269.18918	1.5
271.14685	2.5
271.20709	1.3
272.15506	2.0
273.16376	5.0
274.16995	1.6
275.17902	4.2
276.18475	1.7
277.19565	5.4
279.20956	2.8
283.14856	1.9
283.20502	2.5
284.15677	1.5
285.18845	1.6
287.17941	3.8
289.19504	3.1
290.20273	1.3
291.21136	3.0
295.20572	1.6
298.16971	1.3
299.17761	3.0
300.18921	1.5
301.19427	3.2
303.20947	2.1
307.20541	1.7
313.19107	1.4
315.21121	2.6
317.22534	1.9
327.20984	1.6
329.22394	2.4
331.24271	4.3
341.22635	2.0
343.24191	1.9
347.23788	2.3
357.25735	4.1
363.22256	1.3
365.24692	2.9
373.25403	1.6
383.27148	1.3
385.28967	1.4
473.33994	7.8
485.33881	1.9
491.32864	2.1
509.34058	2.5
520.64294	1.2
529.37872	2.5
531.60986	1.5
547.39380	15.3
565.40314	100.0
566.40710	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	565.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
53.21097	1.5
55.05506	9.4
57.07067	5.4
58.04683	1.4
59.04982	1.4
61.28775	1.2
64.58344	1.2
67.05489	19.3
69.03414	4.3
69.07060	12.0
69.53320	10.6
73.49835	1.3
79.05485	17.2
81.07040	24.0
83.04982	3.9
83.08624	6.4
85.06526	2.0
91.05472	29.2
93.06431	2.1
93.07029	38.7
95.04958	10.9
95.08585	25.9
97.06520	5.6
97.10145	1.6
103.05444	4.2
105.07014	55.6
107.08576	34.1
109.06506	5.7
109.10142	18.0
111.08085	2.1
115.05457	3.0
116.06232	1.9
117.07018	11.8
119.04977	1.4
119.08560	53.1
121.06506	2.9
121.10126	38.3
123.08031	8.6
123.11683	7.1
125.05983	1.9
125.09562	2.1
128.06213	6.0
129.06989	9.0
130.07779	4.1
131.07634	2.5
131.08556	25.6
133.06418	1.7
133.10114	37.4
135.08052	7.2
135.11671	11.5
137.09622	5.8
141.07002	4.9
142.07767	16.6
143.08537	26.3
144.09319	5.2
145.10092	34.4
147.08054	6.9
147.11664	11.6
149.09625	8.0
149.13213	2.4
151.07533	4.0
153.06992	3.5
154.07787	1.6
155.08542	11.7
155.10736	1.3
156.09328	14.0
157.10115	30.1
158.10896	6.0
159.08032	3.8
159.11688	18.2
160.82043	1.5
161.09645	2.9
161.13242	5.1
163.11186	4.4
165.06987	3.7
165.09103	10.4
167.08549	7.3
167.10651	17.2
168.09364	4.2
169.10109	21.9
170.10895	6.1
171.11658	24.8
173.09648	3.7
173.13246	20.2
175.11209	3.2
175.14833	5.5
179.08507	11.2
180.09395	5.1
181.10146	13.9
181.12242	4.1
182.10896	7.7
183.11696	15.9
184.12415	2.4
185.09601	1.6
185.13222	14.3
187.14830	7.8
189.12733	3.3
191.08572	2.1
191.14331	1.8
192.09378	4.5
193.10100	11.7
194.10875	9.0
195.11647	13.1
196.12440	4.9
197.13237	14.9
199.14795	13.9
201.12616	2.1
201.16388	3.3
203.08482	2.0
203.14314	4.3
205.10103	2.5
206.10947	5.7
207.11694	12.4
207.13698	3.0
208.12399	6.9
209.13220	18.9
210.14073	2.8
211.14809	9.8
213.12762	1.7
213.16368	3.4
215.14275	4.4
217.10121	3.6
217.15909	1.6
218.10930	2.6
219.11732	6.0
220.12543	4.0
221.13254	12.1
221.15387	19.0
222.14029	3.4
223.14746	10.0
225.12695	2.0
225.16438	4.8
230.10808	2.2
231.11720	5.1
232.12378	3.7
233.13254	7.7
233.15439	6.6
234.14009	2.7
235.14926	8.2
236.15366	1.4
237.16339	6.5
239.17929	4.0
243.11797	3.5
243.66237	1.6
244.12450	2.1
245.13185	7.3
246.14067	3.8
247.14815	7.4
247.17035	1.8
248.15767	2.2
249.16394	6.3
251.17949	7.9
257.13263	3.8
257.19080	1.7
258.14099	1.7
259.14795	4.2
260.15640	3.1
261.16318	7.5
263.17902	8.1
265.19379	8.1
269.13434	1.6
270.14084	2.2
271.14706	3.4
272.15482	1.5
273.16388	4.0
275.17899	6.6
277.19547	4.0
281.19006	2.4
283.20566	2.6
285.16122	2.2
286.17264	1.6
287.17700	2.9
289.19482	4.0
291.21201	2.5
293.19080	1.6
301.19522	3.2
307.20728	2.1
309.16400	1.7
313.19434	2.7
314.20248	1.5
315.21130	2.2
317.06598	3.8
329.22705	2.9
331.24240	6.2
343.24213	4.2
347.23450	1.7
351.20715	1.8
355.24332	1.7
357.25870	4.4
365.24722	2.8
385.28900	1.7
409.28976	1.8
411.26959	1.6
425.28223	1.6
467.33017	1.7
473.33804	10.6
485.34406	1.6
507.35773	1.6
538.74384	1.5
547.39142	15.0
565.40338	100.0
566.41058	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	566.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05458	1.0
69.03394	1.0
70.06543	1.2
70.16450	1.2
70.16858	1.6
74.63959	0.5
75.77589	0.5
79.05434	0.5
81.03345	0.8
81.06995	0.8
85.02820	2.1
91.69347	0.5
93.07029	2.6
94.06460	1.7
95.04910	0.6
95.07269	1.7
95.08554	1.0
96.08138	2.9
97.02815	0.8
105.89832	0.5
107.08524	0.9
108.08075	3.0
108.51035	0.5
109.10063	1.0
110.09679	5.0
120.04420	2.6
120.08078	3.6
120.33125	0.5
121.06346	0.6
121.10078	0.6
122.09521	0.7
123.06774	0.7
132.08076	0.7
133.10037	0.5
136.07555	3.8
137.09550	0.6
138.08244	0.6
138.09105	7.8
148.07494	0.9
150.09119	0.8
152.10629	0.7
166.08620	6.6
172.03772	0.7
180.10233	0.8
181.90857	0.5
182.15274	0.5
196.09912	0.5
197.10718	0.8
202.83141	0.6
209.10837	0.8
211.12239	0.9
212.09373	0.9
213.10260	0.8
214.38589	0.5
221.10582	1.0
223.08533	1.4
223.12148	1.0
224.09381	0.7
225.10194	3.4
226.10913	1.5
227.11758	0.6
232.06070	0.7
233.10722	0.9
235.08612	3.2
236.09346	2.0
237.10167	9.6
238.10934	1.8
239.08035	1.8
239.11771	4.7
241.08617	1.9
242.08885	1.7
243.09224	1.0
248.09305	0.7
249.10237	4.8
250.10974	2.7
251.08138	3.9
251.11772	8.7
253.09698	4.2
254.10553	0.6
255.11174	1.5
256.10922	3.7
257.11215	4.2
258.11642	2.8
259.14322	0.7
260.09180	0.6
261.10080	3.2
262.10794	1.6
263.07965	1.3
263.11621	1.4
264.08762	1.0
265.09680	7.2
265.13412	0.7
266.10394	2.9
266.13574	0.7
267.11249	4.9
277.09653	2.1
278.10529	4.7
279.07608	4.2
279.11194	12.9
280.11868	1.4
281.09164	3.8
281.12778	2.4
282.13318	1.1
283.10843	1.4
285.12143	1.6
287.13831	2.1
289.09677	4.6
291.07635	0.6
291.11130	0.9
292.08218	0.7
293.09064	1.7
293.12753	3.5
294.09924	6.0
294.13531	2.0
295.10684	1.8
295.14105	0.6
296.11530	0.7
297.12204	3.9
299.13992	0.8
306.09790	1.3
307.10712	1.9
308.11517	1.3
309.08939	0.8
309.12219	5.3
310.12985	1.4
311.10172	1.5
311.13879	1.7
313.11783	1.7
317.06403	1.7
318.06766	2.7
320.11200	1.0
321.08789	1.1
321.12207	2.4
323.10272	0.9
323.13834	2.0
325.11850	5.7
325.15384	0.9
326.12659	3.6
327.13330	1.1
328.14157	1.5
337.11697	1.3
338.12534	3.6
339.13370	1.8
340.14172	4.3
341.14905	14.7
349.11795	4.3
353.11563	2.7
353.14899	73.8
354.11801	2.5
354.15646	1.2
366.12256	0.7
367.12820	0.6
368.13623	2.9
369.14426	12.1
371.16013	0.6
381.14392	11.0
400.16055	1.6
401.17111	2.1
423.61786	0.5
432.19070	0.7
474.20062	1.6
475.10406	0.7
478.23331	1.9
491.20401	0.9
493.22034	1.7
502.19730	5.4
506.22812	38.3
507.23248	1.0
534.22284	100.0
535.22668	3.7
552.22620	0.8
557.31787	0.6
566.24982	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	566.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.8
55.01865	3.1
55.05490	5.2
57.03423	3.5
57.54171	1.1
57.68517	1.0
59.04958	1.1
60.20137	1.1
61.02907	3.4
65.03925	1.7
67.05492	13.4
69.03416	22.8
69.07056	6.5
69.94485	7.8
70.06580	1.5
71.04984	5.2
73.02901	2.5
76.02585	1.1
79.05473	10.4
80.05003	1.6
81.03391	10.5
81.07039	22.2
83.04965	9.3
83.08591	3.3
85.02893	22.1
85.06519	4.0
86.03239	1.8
86.09696	1.6
87.00810	5.2
91.05460	10.9
93.03371	2.4
93.07034	17.3
94.06578	1.2
95.04954	11.5
95.08585	17.4
97.02879	8.2
97.06506	7.5
99.04420	3.8
99.08070	2.6
100.11222	3.4
105.01852	2.7
105.07003	18.6
107.04940	2.2
107.08571	24.1
109.02872	6.8
109.06504	8.5
109.10130	29.2
110.03187	1.4
111.04427	2.7
111.08064	4.2
113.09650	1.6
117.07005	2.5
119.08566	15.4
120.08068	2.0
121.06487	7.5
121.10122	13.8
123.04409	2.0
123.08040	13.7
123.11683	6.5
125.05970	5.1
125.09605	4.2
127.03908	8.6
127.07546	1.4
128.04199	1.4
128.06253	1.4
129.06985	2.0
131.08537	12.2
133.10117	17.7
135.08029	16.0
135.11652	3.7
137.05962	3.2
137.09564	12.6
139.03877	3.4
139.07587	1.5
139.11165	2.2
141.09073	6.8
142.07819	1.2
142.12201	1.7
143.06953	1.4
143.08548	4.6
145.04926	3.1
145.10097	14.6
147.02869	1.4
147.08002	7.7
147.11650	5.5
149.09576	15.7
151.07521	1.2
151.11122	8.1
152.07074	1.8
153.01779	7.1
153.09045	5.6
154.02138	2.6
155.08533	2.1
157.10060	6.7
158.07188	1.4
159.02864	2.4
159.08025	7.7
159.11699	7.7
160.08752	1.5
161.09590	12.6
161.13258	3.1
163.03847	1.4
163.07559	3.1
163.11142	4.9
165.09138	9.3
167.07072	1.9
167.08630	1.2
167.10689	3.9
169.10106	4.1
171.11650	9.1
171.72362	1.6
173.09622	11.0
173.13205	7.1
174.06236	1.3
175.11169	9.1
175.14815	1.7
177.09081	10.0
179.10637	3.5
180.08670	1.8
181.10173	1.3
182.15416	2.2
183.10159	8.1
183.11655	2.9
185.13222	3.4
187.11107	4.8
187.14807	6.9
188.03465	1.4
189.12743	4.0
189.16225	1.6
191.10645	3.0
193.12321	1.5
195.10141	1.9
196.12497	1.8
197.09456	1.2
197.13243	3.6
199.11169	4.4
199.14813	2.5
201.12718	6.5
201.16389	3.2
205.12167	2.1
206.04419	2.3
210.14827	3.1
211.11217	1.6
211.14806	5.5
213.12715	5.7
213.16336	5.3
215.10687	1.2
215.14256	8.5
217.12308	1.3
217.16045	2.7
219.13802	3.6
227.14227	3.3
229.04935	2.7
229.15891	8.1
230.05170	1.8
231.13887	1.3
231.17416	3.4
233.15367	5.8
237.10287	1.2
243.13803	3.4
245.15414	1.6
246.05154	1.1
247.05557	1.9
247.16951	2.8
251.18208	1.9
255.17566	1.5
257.04575	1.4
257.15366	9.6
258.04755	2.6
264.23163	1.4
265.09671	2.0
267.07498	1.6
269.18970	3.9
273.03983	1.2
273.18439	2.6
274.04565	4.8
275.05008	3.4
275.16345	19.0
279.17569	1.6
281.17502	1.4
285.03894	1.6
285.18488	2.8
286.04190	3.6
287.19968	3.7
293.17407	33.6
297.18591	10.6
299.10397	1.6
300.20291	1.5
300.25647	1.6
302.04199	7.1
303.04553	11.4
303.19525	4.3
305.21103	2.6
311.10144	2.5
311.18509	5.1
311.45355	1.2
315.19495	30.9
317.06509	55.5
318.06842	99.8
319.07071	7.8
321.20535	5.0
333.20535	100.0
334.20947	1.9
339.09796	2.6
339.13480	3.0
339.21643	4.7
340.10266	1.6
351.21594	59.9
352.21964	2.3
367.12955	1.9
369.22659	2.5
385.10229	3.9
399.11765	3.6
534.18683	11.7
535.18964	1.4
554.20905	1.2
566.20898	2.8
566.32306	2.8
566.42450	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	567.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77839	0.4
53.03943	2.1
54.63137	0.4
55.01865	2.3
55.05492	0.4
57.03416	1.3
61.02905	1.7
61.04789	0.4
68.99782	1.6
69.03419	8.9
70.06578	2.6
70.23255	0.8
70.23670	1.7
71.04971	1.1
73.02901	2.2
81.02940	0.6
81.03403	9.5
81.07069	0.4
83.01313	0.7
83.04932	0.7
84.08099	0.7
85.02889	13.8
86.09682	1.1
87.00343	0.4
87.00817	5.5
91.03936	0.6
93.07026	0.5
95.04969	0.6
97.02880	6.1
99.04423	3.3
105.01852	3.2
105.07016	0.5
105.82430	0.4
106.77161	0.4
109.02171	0.6
109.02864	8.0
109.10120	0.4
111.00746	0.6
117.01830	0.9
121.02844	0.9
121.06453	0.6
125.02271	0.6
127.03899	11.0
127.04840	0.6
129.01799	1.2
137.02321	3.5
137.06009	1.9
137.09605	0.5
141.10242	0.9
145.04941	2.7
146.84018	0.4
147.02954	0.4
147.04387	0.9
149.02344	0.9
151.03830	0.5
153.01782	3.8
159.02866	5.6
163.03885	0.6
165.01790	0.4
169.01279	3.3
171.04359	0.9
175.03938	0.5
179.08742	0.4
181.01227	1.2
189.05510	0.7
195.02863	1.0
199.03871	1.4
203.03317	0.5
217.04994	2.5
227.03226	0.6
231.04974	1.2
244.03432	0.5
245.04448	3.6
255.02791	0.6
255.06636	0.6
263.05368	1.0
273.03961	3.4
273.06815	0.6
286.17621	0.9
301.03522	2.6
301.06458	0.6
301.11737	0.5
303.04669	0.4
319.04431	100.0
320.04639	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37593	0.5
56.96550	4.1
57.03424	0.6
69.03426	1.5
71.37254	0.5
84.96038	0.7
85.02895	2.2
89.03886	0.7
95.69299	0.5
97.02882	1.5
98.21479	2.1
98.97556	3.5
102.97697	0.6
107.04925	0.7
110.97509	0.7
112.93143	0.8
116.98598	2.1
117.03352	0.6
119.04899	0.7
123.04419	2.8
127.03925	1.8
128.98625	2.0
131.00182	1.3
131.01949	0.5
134.99646	1.6
135.04401	2.5
139.03917	2.0
143.00200	1.2
145.02852	1.7
146.99644	2.1
147.04366	1.1
149.01244	0.9
158.99669	0.9
161.01161	1.1
162.00151	0.7
163.03894	12.4
164.04268	1.5
170.99677	1.6
173.02957	0.6
174.97543	0.6
177.00822	0.9
177.05388	0.7
180.00108	0.9
185.03079	0.6
189.00720	2.9
201.00710	2.0
216.98721	1.4
217.00568	0.6
219.01782	1.9
220.01747	0.7
224.95671	1.0
232.03621	0.8
232.96420	0.7
237.00616	0.8
237.02811	1.0
240.02467	0.8
242.89929	0.6
242.95706	0.6
243.01811	1.3
245.05125	0.8
255.01915	1.0
257.04474	1.1
259.98257	0.8
261.02951	3.1
273.03049	1.0
279.03992	0.7
284.96896	1.0
289.00684	0.6
291.03781	0.8
306.03183	0.8
315.03882	1.2
316.05499	1.0
321.04834	0.9
326.98611	1.0
336.04480	1.3
344.02304	0.7
362.04871	0.7
375.00851	0.7
396.06665	0.7
401.06140	0.7
405.05106	0.7
409.56140	0.7
410.06137	0.6
507.05695	0.7
567.18317	100.0
568.18744	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	567.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.8
53.11840	1.6
55.01854	3.5
55.05501	23.5
57.03416	6.4
57.07058	2.2
59.04981	2.7
65.03936	3.0
67.05492	100.0
69.03416	17.0
69.07059	14.7
69.57688	4.9
69.58099	10.1
70.88042	1.6
71.04966	6.8
79.05485	24.8
81.03401	58.0
81.07045	50.2
83.04972	12.9
83.08604	14.0
85.02887	7.6
85.06528	3.4
91.05472	21.7
93.07029	34.4
95.04932	5.9
95.08580	16.8
97.02876	9.3
97.06518	3.6
97.10160	5.2
98.20947	6.3
99.04434	4.3
105.07027	11.5
107.04932	6.9
107.08572	12.1
109.02856	11.2
109.06499	2.1
109.10131	51.0
111.04425	8.0
111.08068	6.6
117.07008	7.3
119.08538	10.1
121.06452	2.3
121.10113	7.4
123.04391	5.0
123.08047	3.5
123.11771	2.1
125.09628	5.3
127.03876	9.5
129.06956	3.2
131.08583	8.5
133.06456	2.6
133.10078	10.0
135.08072	2.7
135.11694	5.4
137.09610	2.9
139.11195	1.9
145.10081	2.3
147.04419	1.9
147.07977	3.4
147.11679	7.0
149.13263	10.3
155.10718	5.4
157.10114	3.4
159.11673	7.4
173.11722	23.0
173.13152	3.2
177.12761	3.3
189.11171	4.5
195.13809	11.1
213.14835	2.2
227.12773	3.2
229.14339	10.9
233.11711	2.6
239.14178	2.1
241.08458	1.9
269.17447	2.7
285.14603	2.4
299.14661	3.7
303.16031	2.5
339.17953	4.8
355.17484	6.5
377.19672	2.3
395.20538	3.7
423.27341	9.9
493.27570	2.6
549.30774	4.0
567.31482	79.5
567.39404	3.8
568.31989	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	567.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.6
53.72876	4.3
55.05494	13.9
57.07064	6.9
65.03893	6.6
67.05494	51.1
68.49947	4.5
69.07053	32.4
79.05482	41.5
81.07043	65.8
83.08601	10.7
91.05466	66.7
93.07033	75.8
95.04953	15.1
95.08589	55.4
97.06534	4.9
98.21223	30.6
103.05426	7.3
105.07016	88.4
107.08566	75.0
109.10137	67.4
115.05450	12.8
116.06197	6.3
117.06993	31.1
119.08566	100.0
121.10125	66.0
123.11721	21.6
128.06213	8.8
129.06966	14.3
130.07710	6.4
131.08545	59.1
133.10104	71.6
135.08052	4.2
135.11649	34.3
137.09608	5.6
141.06999	10.3
142.07733	20.5
143.08569	39.1
144.09344	7.6
145.10100	78.8
147.11658	24.6
149.13234	9.8
155.08492	21.5
156.09261	10.3
157.10109	37.4
158.10797	8.0
159.11633	36.2
161.13263	15.2
163.14795	7.2
165.06917	8.2
168.09297	5.7
169.10101	26.4
170.10904	7.5
171.11668	24.1
173.13222	30.1
175.14825	32.3
179.08582	6.4
180.09265	8.5
181.10109	18.5
182.10846	8.8
183.11707	28.5
185.13216	14.3
187.14803	17.8
191.14317	4.8
193.10109	9.7
194.10883	6.7
195.11661	25.5
197.13173	23.7
199.14828	12.6
201.16396	11.7
203.08641	5.7
206.10847	6.0
207.11681	7.6
209.13293	21.8
211.14827	12.9
221.13260	12.2
223.14749	9.2
225.16499	5.0
233.15364	15.4
235.14787	5.7
237.16336	9.8
241.19402	6.4
245.13289	8.5
247.14893	6.4
249.16524	6.5
261.16422	8.0
265.08002	5.2
265.19482	10.2
269.18951	5.1
329.22406	5.5
349.24930	5.3
415.30081	4.7
493.34741	5.4
549.40979	22.5
567.41541	39.5
573.19781	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	568.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01861	10.5
55.05492	22.2
57.03415	12.3
65.03916	5.6
67.05492	47.1
69.03426	35.3
69.07057	42.6
69.36444	42.8
69.36859	19.2
69.39104	5.7
70.06583	32.0
71.04964	20.6
72.08141	7.3
73.02906	7.0
79.05486	35.1
81.03384	23.6
81.07042	100.0
83.04970	15.6
83.08585	11.7
84.08111	7.8
85.02901	58.7
86.09689	14.4
87.00798	11.8
87.04458	8.9
91.05449	30.8
93.07036	87.3
95.04967	32.9
95.08589	86.0
97.02878	34.1
97.06495	23.4
98.20729	13.0
99.04427	14.1
99.08096	6.9
103.05461	7.5
105.07020	48.0
107.04917	11.5
107.08586	67.9
109.02888	13.5
109.06495	29.1
109.10142	84.7
111.08042	17.6
112.19467	6.0
117.06979	8.1
119.08582	36.5
119.09291	5.5
120.04453	7.0
120.08109	11.5
121.06491	13.2
121.10128	89.7
122.10456	5.8
123.08060	29.6
123.11693	99.0
124.99937	6.6
125.05970	12.9
125.09621	16.4
127.03905	22.2
127.05191	5.5
127.07491	6.2
131.08551	25.0
133.10103	28.0
135.08018	29.3
135.11668	25.4
136.07544	9.3
137.05951	16.9
137.09631	66.4
138.09055	6.6
139.07491	5.4
139.11171	21.3
141.09064	22.4
143.07013	8.3
143.08549	7.0
145.10095	16.2
147.04407	8.5
147.08081	7.3
147.11653	20.6
149.09583	34.6
149.13168	6.5
151.07463	7.7
151.11160	23.5
153.09076	12.2
155.10638	9.7
157.08597	13.6
157.10088	13.1
159.08002	8.4
159.11642	14.5
161.09612	14.5
163.11154	9.1
164.07074	7.4
165.07867	5.9
165.09045	32.6
165.12730	14.5
167.10640	25.4
169.12187	20.1
171.11662	10.0
173.13284	8.3
175.11159	11.9
175.14717	8.4
179.03212	6.3
179.10696	9.4
183.10092	18.7
183.11580	9.4
183.13759	16.8
184.07231	6.7
185.13216	7.3
198.07140	5.7
199.14879	8.9
201.14819	14.8
212.95076	6.4
213.16309	18.0
217.15851	9.6
217.97098	6.5
225.10199	10.2
235.16911	6.7
241.15796	8.6
243.17474	6.8
258.11154	11.4
259.16843	11.7
277.17880	10.3
289.21503	8.6
295.18942	23.2
299.19904	17.7
302.21631	6.2
303.04764	5.7
303.13391	38.8
305.21127	22.8
307.22372	7.5
309.20441	5.6
317.06570	9.3
317.13678	7.7
317.21085	37.9
318.06900	15.4
319.07108	10.9
320.07321	13.9
320.22775	8.6
321.14438	9.2
323.22134	17.0
327.13266	7.4
335.22095	64.6
339.13309	24.9
353.23062	35.5
360.45602	6.0
367.12805	16.7
518.19031	28.5
536.20239	35.8
568.23016	36.1
569.23956	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	568.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01861	10.5
55.05492	22.2
57.03415	12.3
65.03916	5.6
67.05492	47.1
69.03426	35.3
69.07057	42.6
69.36444	42.8
69.36859	19.2
69.39104	5.7
70.06583	32.0
71.04964	20.6
72.08141	7.3
73.02906	7.0
79.05486	35.1
81.03384	23.6
81.07042	100.0
83.04970	15.6
83.08585	11.7
84.08111	7.8
85.02901	58.7
86.09689	14.4
87.00798	11.8
87.04458	8.9
91.05449	30.8
93.07036	87.3
95.04967	32.9
95.08589	86.0
97.02878	34.1
97.06495	23.4
98.20729	13.0
99.04427	14.1
99.08096	6.9
103.05461	7.5
105.07020	48.0
107.04917	11.5
107.08586	67.9
109.02888	13.5
109.06495	29.1
109.10142	84.7
111.08042	17.6
112.19467	6.0
117.06979	8.1
119.08582	36.5
119.09291	5.5
120.04453	7.0
120.08109	11.5
121.06491	13.2
121.10128	89.7
122.10456	5.8
123.08060	29.6
123.11693	99.0
124.99937	6.6
125.05970	12.9
125.09621	16.4
127.03905	22.2
127.05191	5.5
127.07491	6.2
131.08551	25.0
133.10103	28.0
135.08018	29.3
135.11668	25.4
136.07544	9.3
137.05951	16.9
137.09631	66.4
138.09055	6.6
139.07491	5.4
139.11171	21.3
141.09064	22.4
143.07013	8.3
143.08549	7.0
145.10095	16.2
147.04407	8.5
147.08081	7.3
147.11653	20.6
149.09583	34.6
149.13168	6.5
151.07463	7.7
151.11160	23.5
153.09076	12.2
155.10638	9.7
157.08597	13.6
157.10088	13.1
159.08002	8.4
159.11642	14.5
161.09612	14.5
163.11154	9.1
164.07074	7.4
165.07867	5.9
165.09045	32.6
165.12730	14.5
167.10640	25.4
169.12187	20.1
171.11662	10.0
173.13284	8.3
175.11159	11.9
175.14717	8.4
179.03212	6.3
179.10696	9.4
183.10092	18.7
183.11580	9.4
183.13759	16.8
184.07231	6.7
185.13216	7.3
198.07140	5.7
199.14879	8.9
201.14819	14.8
212.95076	6.4
213.16309	18.0
217.15851	9.6
217.97098	6.5
225.10199	10.2
235.16911	6.7
241.15796	8.6
243.17474	6.8
258.11154	11.4
259.16843	11.7
277.17880	10.3
289.21503	8.6
295.18942	23.2
299.19904	17.7
302.21631	6.2
303.04764	5.7
303.13391	38.8
305.21127	22.8
307.22372	7.5
309.20441	5.6
317.06570	9.3
317.13678	7.7
317.21085	37.9
318.06900	15.4
319.07108	10.9
320.07321	13.9
320.22775	8.6
321.14438	9.2
323.22134	17.0
327.13266	7.4
335.22095	64.6
339.13309	24.9
353.23062	35.5
360.45602	6.0
367.12805	16.7
518.19031	28.5
536.20239	35.8
568.23016	36.1
569.23956	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	568.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.05495	9.8
57.07066	7.5
58.29810	1.1
59.04993	2.0
65.03928	2.6
67.05492	16.7
69.03407	2.1
69.07058	13.8
69.90525	5.2
69.90940	2.4
71.04960	1.6
77.03893	1.1
77.63441	0.9
79.05479	21.6
80.06263	3.9
81.07038	35.0
83.04971	3.1
83.08577	5.7
85.06536	3.9
91.05465	41.7
92.06264	3.4
93.07027	48.8
94.07818	2.3
95.04950	43.1
95.08586	26.9
97.06509	2.8
98.20702	2.1
102.09153	1.5
103.04818	1.0
103.05444	3.9
105.04539	1.7
105.07009	85.8
106.07796	3.5
107.04936	1.5
107.08573	46.2
108.05747	0.9
108.09340	1.6
109.06502	4.8
109.10129	20.7
110.07296	1.4
111.08084	1.2
111.11682	1.3
115.05455	4.2
116.06241	1.8
117.06997	24.8
118.07774	2.9
119.04916	1.3
119.08556	100.0
120.09382	6.8
121.06486	2.5
121.09254	2.0
121.10122	29.2
122.10892	1.4
123.08051	17.4
123.11682	4.8
125.09599	2.6
125.27142	1.0
128.06195	8.6
129.06982	16.9
130.07759	8.0
131.08546	49.7
132.09352	9.2
133.06441	1.5
133.10106	51.7
134.10912	7.4
135.08041	4.9
135.08942	1.1
135.11662	15.6
137.09616	4.8
138.10365	5.2
139.11143	1.7
141.06940	6.1
142.07753	13.7
143.08534	40.0
143.09634	2.3
144.09338	14.9
145.06471	1.7
145.10094	89.8
146.10896	5.7
147.08014	2.4
147.11649	22.8
147.12700	1.6
148.12387	1.9
149.09581	6.3
149.13258	3.7
151.11214	3.0
153.06975	3.2
154.07761	3.0
155.08533	19.2
156.09317	16.3
157.10098	47.6
158.10886	10.9
159.11664	35.7
160.12369	2.2
161.09666	5.1
161.13197	6.2
163.11180	3.5
163.14740	1.3
165.07007	3.9
166.07843	2.6
167.08481	8.8
168.09340	5.6
169.10109	24.1
170.10863	8.4
171.11652	33.9
171.13057	2.1
172.12463	5.3
173.09636	2.0
173.13229	28.1
174.13928	1.3
175.11137	1.6
175.14786	19.4
177.12724	5.8
179.08498	8.3
180.09296	4.0
181.10091	14.2
182.10872	9.3
183.10101	0.9
183.11652	26.7
184.12360	5.0
185.13235	26.7
186.14021	7.9
187.14771	12.3
189.12724	3.3
190.13452	1.1
191.14244	8.8
192.09265	2.8
192.15054	2.3
193.10101	9.8
193.15924	1.3
194.10884	8.4
195.11659	16.8
196.12404	8.0
197.13216	26.6
198.13940	5.3
199.14781	10.4
200.15460	1.5
201.12671	3.2
201.16318	7.5
203.14250	3.2
205.15845	2.1
206.10895	2.5
207.11635	11.2
208.12424	4.6
209.13211	21.5
210.13953	4.0
211.14777	19.4
212.15512	2.2
213.16335	5.3
214.13498	1.5
215.14363	2.2
217.15851	5.5
218.10889	1.7
219.11703	2.3
219.17404	1.4
220.12582	2.5
221.13326	8.4
221.78520	1.0
222.13957	2.8
223.14757	10.6
224.15552	3.8
225.16348	9.1
226.17113	3.0
227.14223	1.7
230.16537	1.4
231.11569	1.5
231.17334	2.3
232.18231	1.1
233.13234	4.2
234.13847	2.0
235.14835	5.6
237.16315	7.0
238.17056	1.3
239.17850	6.1
241.19466	3.6
245.13110	2.0
246.14030	1.8
247.14690	3.9
249.16295	5.3
251.17912	3.3
255.17371	2.5
257.18979	1.8
259.14804	2.1
259.20627	1.4
261.16251	2.5
263.17993	6.0
265.19443	4.1
267.17355	1.1
267.20941	1.8
275.17917	4.1
277.19519	2.0
278.20053	1.2
279.21005	1.2
281.19028	1.5
282.19727	1.1
283.20547	4.0
283.26260	1.5
284.29568	2.9
285.22073	3.1
287.18201	1.1
289.19458	1.5
295.20569	1.3
296.21231	1.8
297.22247	2.5
298.22809	1.0
301.19641	1.2
305.22632	2.9
311.29410	2.8
312.32703	2.5
323.23621	6.0
337.25217	3.0
338.25980	37.8
349.25186	2.0
350.25848	1.6
351.26852	1.5
415.29761	1.3
420.30194	2.6
430.32217	12.1
458.35007	1.1
476.36383	13.1
550.41876	1.1
568.42627	20.8
568.56366	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	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72490	0.5
55.37527	0.5
67.05487	1.9
69.03422	0.8
69.07058	1.4
70.29586	2.0
70.30013	1.0
71.04933	0.5
72.07481	0.5
79.05466	1.4
79.78995	0.6
81.03395	1.3
81.07034	2.9
83.04984	0.8
83.08611	0.7
85.02888	1.7
91.05447	0.9
93.07030	1.6
95.04965	0.6
95.08571	1.6
96.78994	0.5
97.02835	0.6
97.06507	0.7
98.21497	0.5
102.89151	0.5
103.05505	0.8
105.07043	1.2
107.04931	1.0
107.08566	1.5
109.02872	0.7
109.06512	0.8
109.10069	1.1
119.08562	1.5
121.10148	1.1
123.04428	0.7
123.11692	1.0
127.03951	0.9
127.11227	0.6
133.10161	0.8
135.08035	0.7
137.09593	0.7
145.10074	0.6
149.06021	0.9
159.11685	0.5
161.09613	0.6
163.11076	0.6
185.04239	0.5
199.14755	0.6
203.05281	0.9
242.05832	1.0
257.08066	0.8
259.07901	1.1
285.07562	1.3
300.09900	1.8
303.23294	1.0
320.17853	0.6
407.24051	1.4
457.20447	2.3
471.21948	5.4
487.21567	0.8
569.29236	100.0
570.29541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
60.63333	0.4
67.05485	1.5
69.03413	0.9
69.07066	0.7
69.45037	0.4
71.04959	0.5
71.69142	0.4
79.05471	1.0
81.03416	0.9
81.07039	1.9
83.08560	0.7
85.02901	1.4
87.25067	0.4
89.41408	0.4
91.05463	1.0
92.33453	0.3
93.07032	1.3
95.04929	0.8
95.08590	1.3
98.20969	0.5
99.04365	0.5
100.18041	0.4
104.54428	0.4
105.07018	1.0
107.04931	0.8
107.08568	1.3
109.02862	0.9
109.06513	0.6
109.10162	1.1
119.08566	1.0
123.04415	1.2
123.08031	0.5
125.09534	0.6
125.41472	0.4
127.03937	0.6
130.29405	0.4
131.08583	0.5
133.10103	0.7
135.11786	0.4
135.70055	0.4
137.06050	0.5
143.08522	0.4
145.10126	0.5
157.10120	0.5
162.02245	0.4
172.57321	0.4
203.05212	1.4
219.22438	0.5
257.08136	0.6
259.07892	1.3
285.07602	1.0
295.15024	0.5
300.09821	0.9
303.23196	0.7
331.09961	0.6
407.24002	1.6
457.20383	2.2
471.22083	4.5
487.21384	0.7
488.25052	0.5
569.29224	100.0
570.29639	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.0
63.67334	0.7
67.05475	2.5
69.03426	1.4
69.07047	1.2
71.69604	0.8
79.05482	1.6
81.03395	1.4
81.07037	2.5
85.02895	1.6
91.05456	1.6
93.07013	2.4
95.04933	1.6
95.08572	1.2
97.02894	1.3
105.06995	1.9
107.04935	1.2
107.08567	1.4
109.02855	1.0
109.06516	1.0
109.10154	1.3
119.08538	1.6
121.06459	0.9
121.10104	1.6
131.08580	1.1
133.10153	1.6
137.09602	0.9
143.08673	0.8
145.10092	0.9
171.04454	0.8
173.11595	0.7
173.13231	0.9
259.08029	0.8
299.09088	1.2
303.23178	1.1
335.95950	0.7
407.24048	1.2
457.20496	2.6
464.51837	0.7
471.22025	3.6
487.21658	0.8
508.11591	0.9
537.15582	2.0
554.16345	1.1
569.18884	3.7
569.29236	100.0
570.29578	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	569.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36882	1.7
53.03931	5.1
55.01853	5.9
55.05499	16.8
57.03417	4.5
57.07067	5.9
59.04994	3.5
61.02899	3.9
63.17965	1.9
65.03922	4.8
67.05132	3.2
67.05493	50.6
68.99781	2.7
69.03420	28.8
69.07055	23.7
71.04976	21.8
71.70592	2.0
73.02907	3.0
79.05463	24.2
81.03407	31.4
81.07040	100.0
82.07415	1.8
83.04963	7.9
83.08609	13.9
84.08106	2.1
85.02890	25.5
85.06528	5.7
86.09690	2.0
87.00806	11.0
91.05453	22.3
93.07031	54.0
95.04951	30.7
95.08588	67.8
96.04554	2.0
97.02892	13.3
97.06505	8.4
97.10161	7.6
99.04457	9.6
99.08083	4.8
104.21769	1.6
105.01862	3.3
105.07014	40.4
107.04944	5.3
107.08572	70.1
109.02843	21.0
109.03438	2.1
109.06498	13.0
109.10135	94.7
111.04425	4.9
111.08070	8.3
111.11648	3.8
113.09615	2.4
113.69234	1.7
117.07009	4.9
119.08559	38.7
121.06515	13.1
121.10126	45.2
123.04463	3.2
123.08049	6.5
123.11691	42.4
124.03900	8.9
125.05929	2.5
125.09618	7.2
127.03895	22.3
127.11188	11.9
129.01828	6.9
129.07010	2.2
130.07800	2.1
131.04851	2.2
131.08554	11.9
133.06445	2.3
133.10106	27.0
135.08017	10.3
135.11674	36.5
135.12650	2.9
137.05930	4.5
137.09572	18.0
137.13187	10.8
139.11230	3.4
141.12691	9.3
142.07729	4.3
143.08508	4.7
145.04950	2.8
145.10100	28.5
147.02843	2.8
147.08014	5.3
147.11642	21.2
149.09647	8.4
149.13213	16.0
151.03842	2.1
151.11180	10.0
153.01859	2.4
153.12714	7.8
155.08563	2.7
155.10619	2.0
155.32773	1.8
157.10086	11.4
159.02831	3.4
159.07994	3.0
159.11633	14.7
161.09654	9.1
161.13263	13.3
163.07474	2.3
163.11128	18.2
163.14751	5.0
165.09082	5.7
165.12712	5.8
167.14258	2.3
169.10112	5.7
171.08060	2.1
171.11687	5.0
173.09589	2.9
173.13242	8.2
175.11194	14.1
175.14781	12.1
177.12767	6.1
177.16414	5.9
179.10635	4.4
181.12190	3.8
185.13191	3.7
187.07556	2.2
187.11221	2.2
187.14833	8.2
189.12675	4.4
189.16362	11.6
191.14250	2.6
191.17867	2.3
193.15869	6.4
197.13245	3.0
199.14819	12.8
201.12675	3.8
201.16292	9.1
203.14217	2.7
203.17899	9.5
205.15807	2.3
211.14799	5.3
213.03938	4.7
213.16341	7.7
215.17914	6.3
217.15875	5.5
219.17407	5.5
221.18979	3.1
229.15868	3.9
231.05022	4.0
231.17363	4.2
233.18985	7.4
237.70340	1.9
247.16925	7.6
249.18488	4.4
257.22644	5.6
261.22150	2.2
267.21161	4.0
275.21045	2.0
275.23621	9.3
285.22055	20.5
291.23251	2.0
293.24695	5.0
303.23138	70.4
304.23328	2.3
305.24518	2.4
321.24185	22.0
371.21692	2.6
380.17325	2.6
394.31631	2.0
417.44608	2.2
446.17511	2.1
483.29202	4.0
507.29062	2.7
515.26447	2.0
540.36932	1.9
551.28558	2.9
569.29584	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01859	2.0
55.05506	1.6
55.42226	0.7
57.03432	3.9
60.08139	0.9
61.02907	5.6
62.21357	0.7
65.03922	2.1
67.05487	2.7
68.05848	0.7
68.22863	0.7
69.03420	13.3
69.07053	1.8
70.06589	4.6
71.04975	1.9
71.68321	1.0
73.02911	2.8
75.45554	0.9
79.05470	1.3
80.64533	0.7
81.03397	6.5
81.07035	2.4
83.04972	0.9
85.02892	70.8
86.09695	6.1
87.04489	0.8
91.03940	4.1
91.05466	100.0
92.05797	1.0
93.07034	1.8
95.04977	1.0
95.08593	2.6
97.02882	20.5
99.04440	3.1
100.11283	1.3
101.02366	0.9
104.91026	0.7
105.07021	2.1
107.04946	2.6
107.08572	2.2
109.02850	6.2
109.06518	1.6
109.10148	2.8
115.03933	0.8
119.08537	1.4
121.10159	1.0
123.11730	1.6
124.03967	1.2
125.00000	2.8
127.03900	19.5
131.08548	1.5
137.09608	2.1
145.04930	32.2
145.10127	1.1
147.11653	0.9
149.09561	0.9
161.05853	0.8
163.06009	7.5
165.09036	0.9
167.07158	1.0
184.07324	15.3
229.08603	3.2
229.15558	2.2
271.08121	0.9
284.08041	0.9
287.12677	1.6
293.10831	0.7
303.23166	1.1
311.13556	0.7
313.11743	0.9
400.00073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01862	0.5
56.54288	0.5
57.03206	0.5
57.03428	5.6
59.04978	1.6
60.04509	0.6
67.05479	0.7
67.14154	0.4
69.03416	25.8
70.14765	1.6
70.15182	0.9
71.01318	0.5
71.04974	1.0
73.02911	0.8
75.04467	1.3
79.05464	2.1
81.03399	1.6
85.02890	16.2
86.09700	0.5
87.04454	19.1
91.05450	4.7
93.07027	6.6
95.04939	1.8
97.02879	18.4
98.20795	0.6
99.04427	0.8
103.05446	5.2
105.04440	0.6
105.07004	5.6
107.04948	5.2
107.08569	0.6
109.02870	0.7
109.10151	0.7
115.03913	25.9
117.06939	0.8
119.04940	1.0
121.06486	46.2
123.08045	0.6
127.03901	2.1
131.04912	0.8
133.04942	23.8
133.06502	2.3
135.08028	2.1
137.05946	0.8
139.03899	0.8
139.07509	1.6
145.04941	2.4
145.06415	2.7
147.07956	1.1
150.06784	0.7
150.07648	4.1
151.07515	30.1
152.08253	1.3
153.09045	0.8
161.06017	0.8
163.07472	0.8
165.09100	18.6
173.99391	0.5
175.07524	1.1
177.09073	0.7
184.07301	0.9
187.07550	0.8
189.09053	0.9
190.19693	0.5
193.08533	0.8
200.31770	0.6
203.10666	0.6
206.07300	0.6
208.08746	0.5
227.10574	1.4
228.11324	0.5
238.09718	0.9
239.10674	0.6
253.12140	0.6
259.13257	100.0
260.13504	1.9
269.11649	3.2
271.13245	43.7
272.13651	0.8
283.13217	4.6
293.11597	0.7
295.13156	1.3
297.14825	1.2
301.14297	22.9
319.13196	0.7
325.14301	4.0
328.96729	0.5
337.14255	4.1
349.14224	0.7
355.15176	4.5
367.15295	2.4
373.16415	1.7
385.16394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05484	0.6
57.07067	5.9
58.06588	2.5
65.33255	0.5
67.05487	1.2
67.26326	0.5
69.07053	0.5
69.49430	4.4
70.06580	18.2
71.02092	0.5
71.08630	3.4
72.08128	0.6
75.74582	0.5
79.15047	0.5
81.07027	0.7
85.10139	1.1
88.07618	22.1
90.61845	0.5
91.05459	0.6
93.07028	0.5
95.04924	1.1
98.21468	1.0
102.09165	17.8
105.03374	18.2
105.07026	0.5
113.65634	0.6
131.04913	0.9
133.10042	0.6
139.03847	1.1
149.02338	12.5
149.05957	70.7
150.06235	0.8
166.87247	0.6
175.03899	1.1
180.45248	0.5
181.06464	2.0
193.04936	11.7
212.23659	0.9
219.06425	1.0
256.26324	56.7
257.26657	0.9
297.07544	13.8
297.10760	0.9
341.10153	59.1
342.10684	1.1
394.63806	0.5
562.38092	0.6
570.34174	100.0
571.34314	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.01848	3.1
55.05500	14.3
55.13013	1.8
57.03414	3.8
57.07054	7.0
59.04967	1.8
60.93855	2.1
61.02905	5.2
65.03925	3.4
67.05135	3.5
67.05490	52.0
68.99757	4.6
69.03423	25.0
69.06741	2.2
69.07060	25.1
70.03758	2.0
70.27844	8.1
71.04984	17.4
79.05479	14.9
81.03400	26.3
81.07042	83.9
83.04956	4.9
83.08620	10.9
85.02888	20.3
85.06538	4.6
87.00830	7.0
87.04433	4.0
91.05466	15.7
93.06440	2.1
93.07032	30.2
95.04951	29.1
95.08591	74.7
97.02876	15.3
97.06519	7.1
97.10139	11.7
99.04416	6.0
99.08048	5.8
105.06998	23.0
107.04929	4.2
107.08580	35.4
109.02871	16.0
109.06507	6.8
109.10142	100.0
111.04437	3.5
111.08060	4.4
111.11715	5.6
115.03889	5.2
117.07002	3.6
119.08557	16.2
120.63840	2.5
120.64764	1.8
121.06491	13.0
121.10123	36.9
122.06774	3.8
123.04382	2.4
123.08021	5.2
123.11681	37.7
125.09565	3.8
125.13191	3.1
127.03910	21.2
127.11158	6.6
129.01797	8.1
129.06998	2.2
131.08534	6.7
133.04910	4.4
133.10085	10.5
134.05232	2.3
135.08008	5.7
135.11670	20.3
137.09590	7.0
137.13216	28.2
139.11150	5.7
141.12714	3.1
143.08528	3.8
143.10664	2.8
145.04967	3.7
145.06493	2.1
145.10103	6.7
147.08006	4.4
147.11658	14.0
149.05994	2.2
149.13210	13.8
151.07527	7.9
151.11140	3.3
152.07852	3.9
153.12733	6.8
157.10129	4.8
159.11690	9.8
161.05920	2.1
161.13205	5.4
163.07460	2.7
163.11162	2.7
163.14783	7.2
165.09073	8.4
165.12694	5.9
166.09427	2.6
171.11624	3.3
173.13234	3.9
175.14772	6.0
177.12682	2.7
177.16393	10.7
179.14224	2.3
189.16335	6.0
191.07011	2.2
191.17944	3.8
195.17432	3.3
201.16406	8.3
203.17899	4.2
213.03876	6.1
213.16348	4.3
215.17746	2.4
217.19421	3.7
231.04910	2.4
249.06143	1.9
249.18489	2.8
259.13312	11.1
259.24091	4.8
260.13635	13.4
263.23630	2.8
269.22519	5.0
271.13220	4.6
272.13553	8.3
277.25345	14.4
277.27960	3.2
283.13028	1.8
287.23700	9.5
301.14212	3.0
302.14645	3.8
305.21219	2.8
305.24716	53.7
323.25735	7.6
385.86414	1.9
395.25873	2.4
413.26535	3.0
464.80273	1.8
497.56113	1.9
535.29346	2.2
553.29944	4.9
571.31555	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	571.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43285	1.3
53.03924	6.7
55.01851	2.1
55.05504	15.1
57.03418	2.8
57.07053	6.4
59.04987	2.0
61.02900	3.0
65.03925	2.8
67.05142	3.3
67.05492	47.8
68.99774	6.4
69.03419	21.3
69.07056	32.5
71.04670	1.7
71.04981	19.3
71.08600	1.9
71.68314	2.3
71.68684	1.7
72.19151	1.6
79.05478	16.8
81.03407	33.5
81.07045	100.0
83.04969	3.7
83.08603	14.0
85.02897	21.4
85.06511	4.3
87.00831	7.8
91.05469	11.1
93.07032	37.0
95.04959	15.9
95.08592	81.8
97.02871	10.5
97.06505	6.7
97.10191	7.4
99.04473	7.9
99.08062	4.7
105.01841	3.6
105.03363	7.8
105.07013	25.3
107.08578	45.6
109.02166	2.0
109.02866	21.5
109.06525	7.6
109.10140	90.3
111.04422	2.0
111.08067	4.6
111.11719	3.9
113.05962	2.4
115.03890	2.1
117.06985	4.3
119.08562	22.6
121.06487	3.0
121.10127	34.4
123.04432	3.7
123.08059	3.4
123.11684	40.6
125.06043	2.5
125.09583	4.5
125.12349	1.8
127.03895	21.5
127.11182	10.7
128.06216	1.7
129.01814	10.1
129.06970	2.6
131.08531	6.9
133.10101	16.1
135.08041	5.1
135.11667	25.7
137.09613	11.1
137.13237	24.7
139.07530	1.8
139.11147	3.7
143.08592	2.7
145.04947	3.6
145.10104	11.2
147.08022	1.7
147.11687	16.8
149.09604	3.7
149.13232	13.8
151.11166	3.7
151.14677	2.1
153.09132	2.5
153.12752	8.2
157.10083	5.8
159.02959	2.6
159.11636	9.6
161.09566	2.9
161.13229	8.0
163.11119	5.8
163.14774	5.8
165.09111	4.9
165.12759	3.0
167.06984	1.8
167.10603	1.8
167.14291	1.9
171.11691	4.2
173.13228	4.2
173.93619	1.7
175.11195	3.0
175.14784	6.7
177.12770	3.4
177.16345	5.4
179.07030	14.5
179.10666	2.3
179.17889	2.0
181.12230	4.7
183.11562	2.4
185.13228	2.9
187.14857	2.7
189.16364	5.4
191.14348	2.2
191.17958	7.8
195.17296	1.7
199.14841	3.3
201.16431	8.9
203.17908	11.1
205.19476	2.1
213.03900	5.6
213.16385	4.6
215.17915	4.8
217.19493	2.9
221.18890	2.4
227.17960	2.1
231.04868	2.7
231.17383	4.2
239.12749	2.3
245.22568	3.1
249.18436	6.5
257.13800	8.0
259.24255	6.8
263.23688	2.3
269.22552	4.7
277.25208	7.1
287.23703	18.5
293.24673	2.3
305.24719	67.7
323.25677	10.6
361.16226	3.0
409.21896	2.9
497.23984	1.7
535.28748	3.1
553.29749	6.9
571.31750	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	11.3
55.01854	6.2
55.05506	15.5
56.86265	2.6
57.03419	6.4
57.07052	5.8
59.04976	4.4
61.02901	7.0
64.94506	2.5
65.03904	2.8
67.05493	38.0
68.99778	4.1
69.03416	53.3
69.07054	38.9
69.66072	23.1
70.06580	4.4
71.04974	20.2
73.02905	5.1
79.05486	28.8
79.77821	2.3
81.03407	43.4
81.07044	100.0
83.04946	8.4
83.08591	11.6
85.02888	58.1
85.06525	13.3
87.00828	18.6
91.05456	27.2
93.07029	70.7
93.07593	1.6
95.04945	31.2
95.08588	82.8
97.02869	22.5
97.06501	22.6
97.10113	6.6
98.20733	6.0
99.04443	19.1
99.08069	4.0
105.01851	15.3
105.02438	2.4
105.07010	38.5
107.04930	11.3
107.08569	58.1
109.02860	31.7
109.06464	8.6
109.10131	60.2
111.08060	18.6
111.11678	5.4
117.01849	3.3
117.07012	5.8
119.08554	36.9
121.06463	8.5
121.10130	44.7
123.04401	3.9
123.08030	9.0
123.11684	44.2
125.09609	15.0
127.03889	41.9
127.11163	4.6
129.06970	3.9
131.08542	11.3
133.06410	4.5
133.10101	23.1
135.07968	3.8
135.11662	28.9
137.06003	13.8
137.09595	9.3
137.13226	25.1
139.11125	12.5
141.12700	5.8
143.08559	7.0
145.04915	12.6
145.06430	4.3
145.10110	16.1
147.07965	3.5
147.11661	31.1
149.09592	4.3
149.13235	30.2
151.07504	9.8
151.11147	19.8
152.07930	4.8
153.12685	10.5
155.08525	3.3
157.10086	10.1
159.02855	9.4
159.07999	4.5
159.11655	16.4
161.05925	3.1
161.13229	11.9
163.03940	3.3
163.07492	6.0
163.11166	5.2
163.14787	5.7
165.09038	3.3
165.12747	9.2
167.07042	25.2
167.10605	6.1
168.07330	10.2
169.10091	3.8
169.12202	6.4
171.11673	7.3
173.13231	9.8
175.07582	3.2
175.11183	4.0
175.14828	6.3
177.16382	5.6
179.14227	3.4
181.08665	5.5
181.12190	3.8
183.11739	3.3
184.07399	3.1
185.09419	3.5
185.13182	5.1
187.14775	7.8
189.12837	3.6
189.16350	8.6
191.17938	4.2
199.14799	4.5
201.16380	12.0
203.17892	7.5
213.03902	11.9
213.16339	7.7
215.17870	3.1
227.17921	4.2
231.04906	8.5
235.20589	3.0
243.20889	4.1
251.17703	4.2
269.22507	9.5
275.23685	5.7
287.23587	21.6
293.24643	7.8
305.13800	5.9
305.24704	39.7
306.13980	7.4
323.25687	18.7
330.13895	3.6
349.94403	3.2
373.19943	3.2
374.20248	6.6
409.19873	5.2
428.20578	4.1
467.20575	3.0
508.36069	2.9
535.28503	3.1
571.23853	17.0
571.32031	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	571.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01877	5.7
55.05501	22.9
57.03424	2.2
57.07054	1.9
61.00219	1.0
65.03922	3.3
67.05494	41.0
68.20026	0.9
69.03423	6.5
69.07056	27.0
71.04974	1.9
77.03898	1.0
78.62923	0.9
79.05483	45.6
81.03409	6.7
81.07043	38.5
83.04970	8.6
83.08598	9.2
85.06553	1.7
86.67503	1.2
91.05467	34.4
91.06043	1.7
93.07028	32.8
93.07582	2.3
95.04951	12.2
95.08583	18.6
97.02880	5.2
97.06500	5.5
97.10167	8.2
98.20668	2.5
101.10963	1.1
103.05424	1.4
105.04505	1.4
105.07018	30.2
107.04949	8.4
107.08579	15.8
109.06499	4.7
109.10123	5.2
111.04445	1.6
111.08064	3.5
115.05434	2.4
117.06996	9.7
119.04922	1.4
119.08543	18.6
121.06487	4.7
121.10131	5.8
123.08057	6.6
125.09639	6.1
128.06223	2.6
129.07005	10.9
130.07796	1.6
131.08559	9.0
133.06500	5.0
133.10098	9.5
134.07266	1.6
135.08029	2.9
135.11687	3.4
137.09610	2.3
141.06973	2.6
142.07805	1.8
143.08556	6.4
145.06490	2.5
145.10092	9.3
147.08060	6.9
147.11678	14.4
149.09612	2.4
149.13269	1.6
151.07469	1.6
153.09085	1.2
155.08463	2.2
156.09366	1.1
157.10123	3.7
159.08008	1.3
159.11714	3.6
161.09589	4.1
161.13199	6.8
163.11266	2.2
165.09099	2.2
169.10049	2.2
171.11662	11.2
175.11195	3.1
177.12727	2.4
181.10071	1.7
185.13232	1.3
189.11241	1.9
189.12761	3.4
197.13316	1.4
205.12097	1.6
207.13756	9.7
219.28137	1.1
223.13231	9.2
225.11412	1.4
225.14830	2.1
227.00970	1.1
227.12831	2.2
227.18112	1.1
244.73761	1.1
245.19008	3.2
249.14897	3.2
255.17409	2.0
263.16367	1.2
273.18466	18.2
275.20074	2.3
279.15912	2.0
281.17505	3.6
291.19501	70.5
292.19849	3.3
315.22873	1.7
327.23160	1.2
342.10483	1.4
347.22205	2.4
365.22928	1.5
457.59296	1.1
525.35785	1.1
553.35217	3.9
571.36151	100.0
572.36761	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	572.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
53.64697	1.0
55.05509	3.0
57.03423	6.2
67.05499	15.8
69.03422	3.4
69.07066	4.4
70.05852	6.3
71.04978	1.6
73.02912	1.3
78.51180	1.0
79.05479	9.0
81.03403	4.4
81.07043	17.9
82.07381	2.2
83.04978	1.2
85.02908	6.8
87.00807	2.4
87.07085	1.1
91.05463	2.4
93.07039	7.4
94.07348	1.3
95.01283	1.7
95.04954	6.1
95.08601	10.3
96.08942	2.3
97.02866	2.2
97.10215	1.3
105.03379	75.6
105.07020	3.4
107.08603	5.5
109.02892	2.5
109.06535	2.7
109.10148	39.6
110.10483	2.8
111.04427	1.1
117.07045	1.3
119.08575	4.0
121.10142	3.6
123.04407	11.2
123.11734	3.5
124.12034	1.4
127.03904	2.7
133.10115	2.5
135.11694	2.8
137.09589	41.3
138.09927	1.4
145.10056	1.3
147.08073	1.7
147.11639	2.1
149.13219	1.4
155.10657	2.3
157.10139	1.4
159.11725	1.7
165.09094	20.6
178.93686	1.2
179.07008	100.0
180.07346	1.2
239.12772	19.5
253.19521	1.4
257.13800	33.0
258.14056	1.3
305.24896	2.0
306.25058	3.9
355.10284	2.6
356.89816	1.3
361.16403	20.7
415.15720	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	573.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57304	0.5
56.05024	0.6
67.05476	0.7
69.03417	1.3
69.66770	4.6
70.06580	1.7
77.98015	0.5
79.05495	0.7
81.03413	0.8
81.07052	0.7
81.72947	0.6
84.08128	0.8
84.60222	0.5
85.02882	1.1
85.07639	0.5
86.09704	1.2
87.00839	0.5
91.05444	0.7
95.05003	0.6
95.08595	0.7
97.02893	0.9
107.08598	1.0
109.02905	0.7
109.10162	1.4
123.04411	0.8
127.03864	0.8
137.05896	0.7
137.09636	1.2
167.03163	0.7
167.07030	0.7
185.04187	1.3
187.85316	0.6
203.10298	0.9
213.10239	0.7
227.05156	3.6
244.07727	0.6
246.26505	0.5
271.04190	8.5
300.10522	0.8
303.04935	1.1
315.09741	0.6
317.11282	1.8
318.11777	1.3
324.02322	9.8
325.03137	19.0
326.06650	1.2
361.03986	8.5
379.05164	2.7
403.05066	1.5
411.12177	0.8
427.04895	0.9
439.04797	0.9
451.05173	0.6
487.08218	6.6
523.18878	2.9
529.09418	19.5
530.09418	0.9
541.20123	0.9
565.29742	0.7
573.08405	100.0
573.27838	2.3
574.08435	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	573.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	57.3
69.03407	2.1
71.69135	1.9
74.97590	1.8
76.63102	1.0
84.96020	15.4
85.02868	2.5
89.03931	1.9
97.02885	1.4
98.97562	67.5
102.97041	1.6
109.22153	1.0
110.97546	16.6
112.99114	3.6
116.97771	1.9
116.98604	40.1
117.03346	1.2
123.04411	2.3
124.99064	7.2
127.00666	2.7
127.03915	1.3
128.98578	29.0
131.00136	7.0
134.99632	14.9
135.04362	1.8
139.03882	3.5
140.00162	1.2
140.98561	7.4
141.02161	1.2
143.00140	34.3
143.01187	2.1
145.01678	3.1
145.02730	1.3
146.99635	18.4
147.03224	2.2
147.04330	1.4
149.01201	3.6
150.99190	1.3
152.98590	4.8
157.01715	2.5
158.99628	24.4
159.03255	3.0
160.99864	2.1
161.01192	39.3
162.99109	3.3
163.02672	2.4
163.03889	18.3
164.04327	1.5
165.00673	4.3
166.01730	1.1
167.00182	2.1
168.98149	1.7
169.01686	2.7
170.99615	38.0
173.01164	3.1
173.02856	1.2
174.99077	3.0
175.00612	1.7
175.02710	1.6
176.99258	1.7
177.00700	23.3
177.04266	2.2
179.02251	5.3
182.99637	13.8
184.02840	1.3
185.01253	9.8
185.02864	1.7
186.99069	5.7
187.02765	5.7
189.00676	54.5
191.02272	1.3
193.00175	7.1
193.01764	3.0
193.03722	1.5
194.99626	2.2
195.01756	2.4
198.99083	2.0
199.02701	1.5
200.02316	1.3
200.98903	2.2
201.00676	62.1
203.02234	7.9
205.00137	7.8
205.03751	2.8
207.01724	5.8
209.01180	2.1
209.03268	1.5
211.01016	1.4
211.02849	6.2
212.02248	3.4
213.00627	8.4
215.02350	1.5
217.00156	2.4
218.99702	8.5
219.01694	50.2
221.03267	2.2
223.01270	3.6
225.00758	2.7
227.02228	1.4
228.02011	1.4
229.03870	3.1
231.01697	11.1
233.01138	2.6
233.03322	7.6
235.01169	1.4
237.00661	41.6
237.02829	22.7
242.03188	1.6
243.01726	18.3
245.05074	1.6
246.05232	1.7
247.01199	2.6
247.04889	4.9
249.02760	11.5
251.02225	4.6
251.04401	3.2
255.01704	57.1
260.02219	2.3
261.02786	80.4
263.04422	1.6
267.00095	2.2
267.03894	10.2
269.03290	6.9
273.02771	70.4
275.67761	1.1
277.02316	1.8
278.03412	1.7
279.03870	42.7
285.04779	3.9
287.04587	1.8
291.00616	2.0
291.03802	29.4
291.07135	1.4
295.03348	2.1
297.02753	3.4
302.05463	3.7
303.03870	2.9
304.98599	2.8
305.03226	4.0
307.06964	1.2
309.01413	2.4
309.04807	11.8
311.02081	5.0
315.01352	6.6
321.04868	44.6
323.04352	8.5
327.05972	2.5
329.03262	4.1
331.04736	1.6
333.05472	8.9
335.06436	5.3
339.06067	2.0
345.05017	1.3
346.99701	2.8
347.04318	7.7
349.02255	3.5
351.06033	17.6
363.05908	3.2
365.01123	1.6
365.05130	5.0
367.03278	7.2
367.08173	1.2
375.03384	5.3
377.00540	4.1
381.06921	13.7
393.04337	11.1
395.01718	5.8
399.07953	12.4
411.05862	37.9
412.06128	1.4
429.07013	100.0
430.07104	2.6
434.07416	1.4
435.07849	1.8
447.08157	3.6
452.08386	4.5
453.06979	93.8
454.07220	2.1
457.08447	5.5
458.71387	1.2
465.07141	3.1
471.08002	31.3
472.08185	1.7
483.07977	3.9
494.09454	6.3
497.11703	27.6
503.66513	1.1
513.08124	2.7
555.11627	4.2
573.13110	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	573.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51460	1.2
56.96554	38.7
70.85995	1.2
71.68820	1.4
71.69241	3.0
71.95293	1.3
83.95663	1.2
84.96019	10.1
85.02901	1.4
89.44737	1.2
95.78876	1.2
98.97565	69.6
102.97029	1.8
110.97552	19.9
110.98271	1.4
112.98422	1.2
112.99116	5.0
115.00628	1.3
116.98606	38.4
117.03360	1.5
118.40974	1.2
124.99081	7.2
127.00668	2.1
127.03898	1.8
128.98575	26.9
131.00148	7.6
134.99637	13.6
140.98578	9.3
143.00139	39.1
145.02837	1.3
146.99629	15.1
149.01190	5.2
150.99158	1.5
152.98563	6.8
158.99614	24.1
159.03239	2.0
161.01204	31.8
163.02625	1.9
163.03880	12.6
165.00711	1.7
169.01628	1.7
170.99626	36.5
173.01181	1.6
174.99088	2.4
175.02757	2.3
177.00697	22.2
177.02118	2.3
177.04295	2.3
179.02264	3.6
182.99593	14.2
185.01166	9.4
186.99146	4.1
187.02745	3.7
189.00684	42.2
191.02281	2.4
193.00157	5.6
193.01738	1.6
193.03819	2.8
194.99588	2.5
198.99080	1.8
201.00671	64.3
203.02205	7.4
205.00192	5.8
205.03781	1.8
207.01721	5.7
211.02811	3.9
211.04880	1.8
213.00624	7.6
217.00195	2.6
218.99681	7.2
219.01689	49.0
221.03194	2.1
229.03865	2.3
231.01672	11.7
233.01210	2.6
233.03162	6.5
237.00664	29.7
237.02837	24.2
238.00789	1.5
242.03447	2.8
243.01741	24.4
249.02766	16.3
251.02267	4.0
251.04532	3.0
255.01707	39.8
261.02789	100.0
262.03064	2.2
267.01004	2.1
267.03818	14.3
269.03271	5.6
273.02756	51.2
277.02277	1.4
277.53439	1.7
278.03323	1.5
279.03888	49.3
285.04889	2.7
291.00638	2.2
291.03787	42.2
292.04086	1.4
295.03174	1.6
297.02567	2.3
302.05539	3.3
303.03815	5.1
307.03397	1.6
309.01752	2.0
309.04919	15.1
311.02298	3.6
315.01584	3.9
321.04886	57.4
323.04398	4.5
327.05997	4.0
329.03180	1.7
333.05249	11.6
335.06424	4.7
335.43314	1.3
339.05750	2.9
347.04321	2.9
349.02063	2.9
349.05942	2.1
351.05917	21.5
353.07376	2.5
363.05927	3.7
365.05225	1.9
367.03723	3.8
375.03186	1.3
375.06293	2.5
381.07028	20.2
393.05347	7.9
399.08020	16.6
411.05737	26.1
429.07007	79.1
434.07773	2.2
435.07581	2.2
447.07965	3.9
452.08548	3.2
453.06992	75.5
454.07016	1.8
457.08533	5.7
465.07053	1.7
471.07959	22.7
483.08121	3.0
494.09372	3.0
497.11746	31.8
498.12207	1.6
523.26392	1.4
555.12738	11.3
573.13214	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	573.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
55.01865	5.2
55.05496	16.0
55.71564	2.0
57.03418	8.4
57.07066	4.8
58.09726	2.1
59.04982	2.8
61.02909	5.5
66.00316	1.8
67.05493	36.5
69.03416	32.9
69.07053	32.0
70.05279	4.5
70.05684	7.3
70.06586	5.2
71.04980	8.6
73.02901	4.9
79.05488	20.2
79.39503	2.1
81.03399	18.7
81.07040	81.1
83.04504	3.4
83.04972	41.2
83.08604	8.5
85.02889	61.7
85.06523	8.8
86.09691	3.5
87.00815	11.9
87.04492	2.2
91.05471	15.2
93.07025	38.4
95.04961	9.5
95.08593	44.8
95.09193	3.2
97.02881	24.9
97.06517	8.9
97.10178	3.0
99.04453	9.2
99.08085	5.8
101.06024	3.7
105.01855	8.1
105.07012	39.5
107.04958	3.6
107.08572	39.6
109.02847	15.5
109.06499	5.5
109.10134	100.0
110.10500	2.2
111.04401	3.1
111.08064	7.5
111.11687	6.1
115.05392	1.9
117.01814	2.1
117.07005	4.1
119.08560	25.9
121.06493	3.9
121.10120	41.0
123.04417	3.7
123.08046	6.6
123.11692	33.0
125.09615	4.5
127.03905	21.6
127.11185	7.0
129.06976	6.4
131.08525	16.0
131.09308	1.7
133.10124	24.5
135.08000	2.3
135.11674	14.3
137.05966	4.7
137.09651	3.8
137.13240	7.9
139.03854	2.6
139.07529	6.9
139.11154	40.2
142.07761	6.8
143.08566	11.3
145.04944	8.2
145.10098	17.2
147.11649	37.3
149.13220	13.2
153.12732	9.3
155.08505	5.3
157.10106	51.1
157.11392	2.8
159.02914	9.3
159.11693	26.2
161.09610	2.2
161.13194	4.9
163.03850	4.1
163.14809	14.2
165.09106	3.5
165.12735	11.3
169.10136	5.6
169.12157	4.1
171.11644	12.4
173.13228	11.0
175.11134	2.8
177.16350	6.7
183.11621	5.3
183.13809	2.8
185.09660	2.4
185.13280	5.6
187.14807	3.2
197.13237	8.8
201.16376	3.3
203.17828	4.0
209.13229	2.9
211.14838	5.7
211.16910	3.5
213.16353	2.6
215.17874	6.6
224.15555	2.5
225.16386	2.9
231.04984	4.0
251.17896	5.4
253.19475	81.5
255.20990	3.2
259.24246	3.2
271.20554	20.8
271.24155	9.0
272.10635	2.7
277.25272	7.2
289.25189	17.5
295.26190	6.7
307.26221	42.3
325.27255	14.6
381.24191	2.0
393.27756	5.4
411.23779	3.4
411.28723	2.4
415.24582	6.5
420.40610	2.2
433.25742	11.7
452.32571	2.1
573.18640	3.6
573.25397	15.0
573.35114	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	573.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.01851	5.0
55.05494	9.7
57.03419	2.0
57.07059	4.9
59.04992	1.7
60.73396	1.4
62.76059	1.1
67.05490	31.1
69.03423	14.8
69.07060	16.8
69.40057	1.9
69.40462	12.3
70.06567	3.8
70.32180	1.1
70.87873	1.1
71.04984	14.3
71.08611	1.5
73.06522	1.4
79.05477	11.8
81.03403	7.4
81.07044	71.7
83.04956	4.0
83.08608	9.0
85.02897	18.1
85.06526	6.0
86.09672	1.6
87.00803	5.3
89.06054	2.2
91.03922	1.0
91.05462	5.7
93.07035	24.0
95.04942	4.5
95.08592	100.0
96.08930	1.6
97.02875	6.9
97.06500	5.7
97.10120	3.8
98.21520	2.0
99.04453	4.3
99.08060	3.6
105.01850	3.5
105.07011	13.4
107.04949	1.3
107.08578	22.6
109.02864	6.2
109.06494	4.0
109.09397	2.3
109.10134	33.0
111.04427	1.3
111.08051	16.1
111.11687	2.9
113.09626	3.0
115.57912	1.1
117.06967	2.1
118.37344	1.0
118.66763	1.2
119.08572	11.3
121.10132	15.3
123.04395	1.9
123.08019	1.4
123.11688	30.3
125.09571	2.8
127.03892	9.3
127.11153	6.1
131.08569	3.9
133.10124	9.3
135.07997	1.4
135.11676	9.5
137.09590	2.8
137.13234	47.2
139.11171	1.7
145.04897	3.1
145.10107	3.6
147.11667	13.6
149.13231	20.0
151.11171	3.9
151.14815	1.3
153.12697	3.7
157.10094	2.9
159.11687	4.3
161.13237	5.0
163.14824	4.4
165.12743	9.8
167.43587	1.3
171.11685	1.7
173.13257	2.5
175.14793	3.5
183.13803	4.4
187.14786	2.8
189.16403	3.3
191.17923	3.8
201.14742	2.6
201.16434	2.5
203.17903	6.1
213.03867	4.1
215.17888	2.9
219.21082	2.2
225.18419	2.7
231.04919	2.6
237.18454	4.8
237.22060	4.0
251.20155	1.7
253.19423	5.0
259.24170	2.5
263.23837	2.0
271.24182	4.5
277.25214	14.4
289.25198	14.7
295.26450	3.1
307.26279	35.0
325.27301	5.3
433.62411	1.6
473.16000	1.3
518.19531	1.4
521.75677	1.3
573.26691	4.1
578.69513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01865	51.9
55.05505	19.0
57.03429	5.1
57.07063	7.6
61.96103	1.4
63.81964	1.6
65.03922	4.5
67.05494	58.6
69.03410	2.8
69.07059	30.5
69.66535	12.9
71.04973	2.8
71.08612	4.1
72.87789	1.3
77.79736	1.4
79.05481	59.9
81.03396	9.2
81.07044	55.6
83.04967	12.9
83.08600	9.0
85.06510	1.8
85.10172	2.3
87.69896	1.5
91.05464	64.7
93.06431	2.8
93.07027	53.7
95.01315	5.7
95.04949	19.3
95.08591	36.5
97.02853	1.6
97.06517	85.3
97.10150	3.7
98.98449	7.9
103.05383	1.6
105.07014	63.7
107.04940	23.4
107.08570	19.5
109.06494	5.6
109.10162	10.8
111.08026	2.1
117.06982	14.9
119.08563	32.7
121.06481	5.9
121.10113	8.3
123.04408	2.7
123.08039	6.7
123.11699	2.9
125.09591	3.7
128.06154	2.6
129.06964	11.2
131.08543	16.8
133.06480	1.7
133.10109	28.6
135.08006	2.7
135.11693	8.4
137.09593	5.0
139.03938	2.1
139.07530	1.9
143.08542	6.7
145.10097	14.8
147.08112	2.0
147.11655	28.4
149.09570	19.0
149.13248	3.4
151.11174	4.1
151.98445	1.4
155.00969	3.2
157.10025	2.0
159.11687	10.8
161.09563	3.5
161.13251	11.2
163.11162	12.4
165.09077	3.6
168.51993	1.5
169.10107	2.9
171.11662	13.2
173.13232	4.9
175.11258	1.8
177.12741	5.1
179.14302	12.8
183.11703	2.0
187.11124	5.2
189.12721	7.3
197.13257	2.4
207.13809	10.5
215.14384	1.6
229.19452	2.8
233.15262	1.8
247.20598	2.6
257.19003	7.2
275.20026	100.0
279.15793	2.7
281.17416	38.1
293.21045	10.1
313.27335	15.0
349.23663	25.3
370.97202	1.5
377.22928	2.7
380.47382	1.6
417.27292	1.5
517.98175	1.5
555.36737	56.7
573.38538	2.4
573.48657	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	573.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.7
52.50200	2.0
53.03944	13.3
55.01868	16.9
55.05504	39.9
57.03426	8.8
57.07068	7.9
65.03931	5.7
67.05497	87.4
69.03423	4.5
69.07066	29.5
71.04980	6.0
71.08618	3.2
71.70630	4.0
73.06554	2.5
79.05484	100.0
81.03407	12.4
81.07049	97.0
82.44903	1.7
83.04969	16.9
83.08616	17.6
83.83051	2.1
85.02884	3.3
85.06528	5.3
85.10156	2.0
88.55949	1.9
91.05470	71.0
91.68234	1.9
93.07030	79.7
95.04958	36.6
95.08595	53.9
97.02869	3.3
97.06516	21.4
97.10162	7.2
99.08092	2.4
103.05445	2.5
105.07024	71.0
107.04941	18.4
107.08580	39.4
109.06516	17.2
109.10139	20.9
111.08054	4.1
113.05985	3.1
115.05448	6.1
117.07006	22.6
119.08570	45.7
119.80684	2.4
121.06465	4.8
121.10128	19.5
123.01949	2.0
123.04439	3.1
123.08029	10.1
123.11713	6.8
125.09643	4.1
128.06223	3.7
129.06987	18.3
130.07834	2.5
131.08560	24.6
133.06482	3.6
133.10104	30.4
135.07993	11.0
135.11703	13.5
137.09599	6.5
139.03969	2.3
139.11185	2.3
141.06992	2.6
143.08542	13.6
145.10106	28.7
147.08017	6.2
147.11667	40.1
149.09615	14.4
149.13274	4.2
151.11171	5.3
155.08568	2.9
156.09293	2.1
157.10114	8.2
159.08102	3.2
159.11661	13.4
161.09621	5.4
161.13223	11.8
163.11172	12.2
165.12756	4.6
169.10115	3.9
171.08044	2.5
171.11664	15.2
173.09676	2.0
173.11877	2.7
173.13287	6.2
177.12791	3.4
179.14279	3.3
183.11670	3.7
184.90170	2.0
185.13185	2.6
187.11163	3.3
189.11205	3.3
189.12755	9.3
193.12265	2.6
197.13258	3.0
207.13754	16.9
219.66386	1.8
225.14838	2.2
227.12791	7.5
227.20952	2.2
229.19467	2.5
230.85518	2.1
239.17989	2.5
247.20667	5.7
257.19025	9.3
267.16074	4.2
273.18494	5.5
275.20041	71.7
275.23047	3.8
281.17435	29.6
285.71393	1.9
291.19534	6.4
293.21121	6.1
349.23679	18.0
555.37115	21.8
573.37311	23.3
573.48120	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.9
53.03928	10.0
55.01861	22.6
55.05501	32.7
56.51270	1.4
57.03429	8.6
57.07058	4.5
59.04985	1.7
65.03926	6.2
67.05489	81.9
69.03403	4.5
69.07050	28.2
70.04688	5.3
71.04980	4.2
73.06550	2.7
77.41392	1.7
79.05474	100.0
81.03400	9.4
81.07038	88.9
83.04977	13.6
83.08607	15.7
85.06531	6.1
91.05458	91.4
92.05770	1.8
93.07027	85.3
94.04314	1.6
95.04944	30.6
95.08585	48.7
97.06517	26.9
97.10152	11.6
98.20718	2.2
98.21307	3.6
103.05471	1.8
105.04579	1.5
105.07009	75.9
107.04932	25.9
107.08572	46.5
109.06483	12.0
109.10134	17.3
111.08066	5.6
115.05406	4.9
116.06269	1.7
117.06994	23.6
119.08559	47.1
121.06464	7.9
121.10110	21.1
123.08068	8.2
123.11687	5.2
125.09592	7.1
128.06195	3.6
129.06979	19.6
131.08543	25.1
133.06467	2.8
133.10103	31.9
135.08018	7.9
135.11670	13.7
137.09586	4.6
141.06924	2.8
143.08505	14.8
145.06451	1.9
145.10088	26.8
147.08006	3.5
147.11655	46.1
149.09595	26.0
149.13251	5.2
151.11150	4.5
155.08531	4.3
156.09239	1.5
157.10097	5.8
159.08023	2.0
159.11668	12.2
161.09592	5.7
161.13252	14.7
163.11171	11.1
165.09003	2.0
165.12729	3.9
169.10098	5.2
171.11644	28.8
173.13249	4.9
175.11203	3.0
177.12680	5.4
177.50494	1.5
179.14255	2.7
183.11618	2.9
185.13257	2.1
187.11189	2.1
187.14845	2.2
189.11203	3.7
189.12717	10.8
191.14325	2.1
193.10001	1.6
195.11662	2.4
197.13188	2.7
207.11992	2.8
207.13773	21.1
227.12735	20.6
229.19507	3.8
239.17953	7.0
247.20523	6.1
257.18951	15.7
267.15732	2.3
273.18533	1.7
275.20020	87.6
276.20273	1.7
281.17389	36.1
293.21030	5.8
327.23352	1.9
331.22473	2.9
349.23624	31.0
377.23322	3.8
451.26938	1.6
459.30801	3.4
475.30423	2.2
555.36676	32.6
556.37335	2.3
573.38104	18.0
573.46991	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	573.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.4
55.05499	15.0
57.07064	44.3
64.06587	1.9
65.03932	3.3
67.05496	45.5
69.07063	19.5
70.87110	4.5
70.87493	4.0
71.04978	2.7
71.08616	28.1
79.05479	29.2
81.07047	48.5
82.16940	2.0
83.08607	17.0
85.10171	16.8
91.05473	17.0
93.07038	37.4
95.04958	4.6
95.08587	45.6
96.49356	2.6
97.10159	8.6
105.07031	11.8
105.92609	2.3
107.08577	22.6
109.10130	18.2
117.07030	3.8
119.08556	11.8
121.10127	20.4
123.11703	7.3
131.08527	13.8
133.10117	7.9
135.11694	13.6
137.13223	3.6
138.33279	1.9
145.10091	9.0
147.11668	6.4
149.13271	9.1
159.11667	4.9
161.13263	6.4
173.13274	4.4
174.52861	2.0
175.14764	3.6
187.14819	3.0
197.57899	2.5
239.23611	9.8
243.21072	7.4
257.08853	2.5
261.22122	22.3
299.20383	2.1
299.23788	2.7
313.27322	14.8
317.24646	17.5
509.98370	2.4
573.48682	100.0
574.49036	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	575.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01875	2.2
55.05501	15.7
57.03427	4.3
57.07066	10.9
59.04993	1.8
67.05493	31.0
67.35426	1.6
69.03417	22.3
69.07054	29.4
70.33778	7.1
71.04982	24.2
71.08630	2.3
73.02924	2.1
79.05484	17.3
81.03403	7.9
81.07043	92.5
82.07365	2.3
83.04955	3.2
83.08603	16.8
85.02894	39.1
85.06519	8.3
86.09709	2.3
87.00828	5.4
91.05456	11.0
93.07034	28.5
95.04929	2.3
95.08591	100.0
96.08969	2.0
97.02869	11.1
97.06528	3.1
97.10167	8.2
99.04456	5.6
99.08075	8.1
105.01856	4.7
105.07036	10.8
107.04947	2.2
107.07891	2.7
107.08572	23.8
109.02872	7.0
109.06490	5.6
109.10142	68.1
111.04478	2.0
111.08045	3.1
111.11703	6.1
115.89308	1.7
117.07016	2.7
119.08558	9.1
121.10121	25.4
123.11680	42.0
125.13196	2.5
127.03903	14.6
127.11169	8.4
129.05464	5.4
129.06984	2.0
131.08559	6.0
133.10112	7.0
135.11665	18.0
137.13214	19.8
139.03891	2.2
139.11179	2.5
139.14816	1.6
141.12695	4.0
142.07806	2.1
143.08531	4.2
145.04935	2.7
145.10118	6.9
147.08070	2.2
147.11707	10.5
149.13234	27.2
151.14816	15.1
152.39970	1.6
153.12752	5.9
155.08583	2.0
157.10094	10.1
159.11702	7.9
161.13217	3.8
163.14783	9.7
165.09184	2.2
165.16357	2.4
167.14282	2.3
169.10106	2.8
171.11647	3.2
173.13232	3.5
175.11145	1.9
175.14778	1.9
177.16362	6.9
183.10341	1.9
183.11821	2.3
187.06009	3.0
189.16333	3.8
191.17979	2.5
195.17451	1.9
197.13277	4.1
203.17938	4.1
205.19504	4.1
207.64142	1.7
211.20493	1.8
213.03935	2.4
217.19531	5.0
220.63429	1.8
231.04895	8.8
253.19492	21.3
265.25537	2.6
271.20508	18.9
273.25754	11.6
279.26804	8.8
291.26767	24.2
297.03915	2.3
309.27859	17.1
328.15839	2.1
370.94510	1.9
411.28873	6.4
429.30093	5.0
458.37918	2.3
479.66882	1.9
521.30829	1.7
575.27271	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	575.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17467	0.8
53.03936	2.9
54.05231	0.7
55.01852	3.6
55.05497	7.5
57.03424	4.8
57.07053	2.3
61.02912	4.0
61.45903	0.7
65.03927	1.4
67.05489	21.8
69.03415	14.0
69.07047	4.5
71.04975	4.1
71.43190	1.1
71.43530	1.4
73.02904	1.8
77.03902	1.0
79.05474	16.4
81.03409	7.6
81.07037	21.0
82.53764	0.7
83.04953	5.4
83.08621	4.0
85.02887	39.1
85.06523	13.2
87.04447	1.8
91.03950	2.5
91.05456	16.8
93.07024	18.5
95.04945	4.2
95.08578	10.5
97.02877	8.6
97.06487	2.9
97.10155	2.5
99.04443	2.7
99.08078	0.9
105.07005	22.6
107.04942	4.7
107.08572	16.5
109.02852	4.0
109.06483	2.4
109.10127	15.7
111.04439	6.3
111.08041	1.7
117.06991	8.8
119.08559	13.1
121.06461	2.0
121.10118	21.8
123.11684	3.2
123.74593	0.9
125.09609	2.2
127.03880	8.6
128.06198	1.6
129.06976	9.4
130.07790	1.4
131.08543	16.8
133.10095	21.2
134.10423	1.1
135.08029	2.3
135.11681	5.7
137.06024	0.9
137.09612	1.1
141.06947	2.2
141.09093	1.3
142.07748	5.2
143.08531	11.2
145.04947	6.7
145.06036	1.0
145.06415	0.9
145.10101	20.6
147.11659	25.5
149.09622	2.8
149.13199	1.7
151.11179	1.1
153.12679	2.1
155.08546	5.6
156.09271	0.9
157.10098	50.3
159.11658	20.7
161.09541	1.9
161.13231	5.1
163.11156	6.1
169.10059	4.6
171.11656	13.5
173.09624	1.9
173.13216	7.8
175.11128	1.9
177.12662	1.0
181.10202	1.4
181.12222	3.1
183.11647	7.0
185.13240	6.1
187.14635	0.9
189.12898	0.8
191.10658	2.2
195.11691	1.3
197.13211	8.0
199.14806	1.4
203.14317	1.6
209.11630	1.6
209.13356	1.9
211.14819	4.7
213.16322	1.0
219.17305	1.1
221.01630	1.1
223.14810	1.0
224.15660	1.9
225.16327	2.9
227.12744	3.2
229.19513	1.4
238.17126	1.4
239.17830	1.2
251.17934	2.7
253.19466	100.0
254.19785	3.0
255.21027	3.0
257.18900	6.6
271.20499	39.7
272.20740	1.3
275.20087	5.3
283.15396	3.6
301.16403	1.9
331.22543	1.8
395.29562	1.6
433.25809	22.7
482.81110	0.8
539.33765	1.3
557.34357	3.6
575.35559	9.7
575.49908	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	575.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29355	0.9
52.82301	1.0
53.03930	2.8
55.01865	13.6
55.05497	3.7
57.03417	3.8
57.07063	1.7
61.02919	5.0
67.05492	26.1
69.03414	15.9
69.07062	3.4
70.73592	2.8
70.73933	1.2
71.04966	3.6
73.02901	2.3
76.00043	1.1
79.05479	9.3
80.72701	1.0
81.03404	7.0
81.07043	16.8
83.04963	1.6
83.08607	2.1
85.02891	42.1
85.06524	6.1
87.00834	1.1
87.04443	2.2
91.03941	1.3
91.05470	11.5
93.07040	14.5
95.04955	12.6
95.08582	10.7
97.02879	13.8
97.10169	1.2
99.04427	2.9
105.07006	18.3
107.04951	2.4
107.08572	18.1
109.02856	6.7
109.06516	2.0
109.10143	15.6
111.08099	1.3
111.11715	0.9
113.05980	11.8
115.05411	1.6
117.06991	5.6
119.08559	10.2
121.10124	18.0
121.71245	1.0
123.11692	4.9
125.09615	1.3
127.03874	11.4
128.06206	2.8
129.07007	6.5
131.08543	14.7
133.06483	1.2
133.10104	19.4
135.11661	5.0
141.06999	2.1
142.07764	7.3
143.08549	9.9
145.04935	8.4
145.10103	16.4
146.69164	1.0
147.11662	29.4
149.13240	4.4
155.08531	4.6
156.09265	1.1
157.10101	56.3
159.11656	20.0
161.13263	3.0
163.11128	2.2
169.10138	4.8
171.11682	11.5
173.13190	6.0
175.11119	1.9
175.14795	1.2
181.10039	2.1
182.10855	1.4
183.11678	5.1
185.13272	4.3
187.14746	2.2
197.13193	9.8
199.14839	1.6
211.14859	4.6
213.16389	1.4
224.15477	2.1
225.16397	4.8
238.17168	1.8
245.02686	1.0
249.16391	1.6
251.17989	2.4
253.19487	100.0
255.21021	2.3
271.20554	32.8
275.20291	1.9
283.24054	1.9
377.28400	1.2
395.29477	3.0
413.59909	1.2
433.25763	21.7
446.31580	1.3
517.31854	1.7
557.34814	3.7
575.35706	90.7
576.36243	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	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.1
54.02754	0.6
55.01865	14.0
55.05473	3.2
55.06229	0.7
57.03424	5.3
57.07041	3.0
59.04979	0.8
61.02919	5.3
65.03922	1.9
67.05493	27.3
69.03414	16.7
69.07056	4.0
71.04980	5.7
71.42514	0.6
71.70518	1.2
73.02863	2.0
78.04642	0.7
79.05483	8.6
81.03408	5.8
81.07040	18.0
83.01319	1.0
83.04942	1.6
83.08578	2.1
85.02890	41.8
85.06527	6.3
87.04413	2.5
91.03902	2.3
91.04926	0.7
91.05460	9.5
93.06499	0.9
93.07027	12.0
95.04950	16.3
95.08011	0.9
95.08583	13.8
96.04431	1.3
97.02873	14.4
97.06494	1.6
99.04399	3.1
100.03963	0.7
105.07014	17.0
107.04939	0.8
107.07908	1.0
107.08571	15.0
108.04499	0.7
109.02856	6.2
109.06491	1.5
109.10130	14.5
111.04471	0.8
111.08025	2.1
113.05988	10.3
117.06985	6.0
119.08564	8.7
121.06433	1.3
121.09264	1.1
121.10117	18.9
123.04433	1.4
123.08047	1.1
123.11678	3.9
125.09584	1.7
126.05451	1.3
127.03861	11.5
128.06192	1.9
129.05464	1.1
129.06987	6.7
130.07721	0.8
131.08539	14.2
133.10107	19.7
134.10394	1.1
135.11652	5.0
137.13187	1.2
141.06937	1.5
142.07753	6.6
143.08527	11.3
144.06516	2.4
144.09238	0.8
145.04935	7.8
145.10104	14.6
147.11658	28.6
148.11859	0.7
149.09544	0.9
149.13219	4.9
151.03842	2.5
153.06955	0.8
155.08551	3.9
157.10098	61.0
158.10498	1.0
159.10350	1.5
159.11655	23.3
161.13232	5.6
163.11172	1.4
169.10106	4.5
171.11668	11.7
173.13245	6.6
175.11125	2.5
175.14743	1.1
177.12802	0.8
181.10069	1.4
183.11626	6.8
185.13184	5.1
187.14864	1.0
189.12558	0.9
193.10077	1.0
195.11578	1.6
196.12421	1.0
197.13197	8.8
199.14748	0.8
203.14160	0.7
209.13316	0.7
211.14780	6.0
219.10129	1.6
223.14609	0.9
224.15535	1.9
225.16385	4.6
227.17615	0.9
238.17189	1.3
251.17892	2.7
253.19473	100.0
254.19858	2.5
255.21048	2.9
265.19562	0.9
271.20502	35.2
272.20837	1.5
277.19244	1.1
283.24213	1.7
310.23703	11.7
328.24762	8.3
377.28299	2.3
395.29227	2.9
411.29471	0.9
429.29752	1.0
433.25790	18.3
517.32031	1.0
521.45764	0.9
557.35095	0.9
575.35687	78.7
576.36115	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	575.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01862	17.2
55.05502	4.3
57.03429	5.9
57.07067	2.3
61.02918	6.6
61.50440	0.7
62.23714	0.9
65.03920	2.5
67.05135	1.7
67.05492	29.9
68.22372	0.8
69.03416	19.6
69.07062	7.4
69.82613	4.6
69.83025	1.3
70.06569	1.2
70.53098	1.1
71.04645	0.9
71.04987	6.3
73.02907	2.8
77.03926	0.9
77.67730	0.9
79.05482	9.8
81.03398	7.9
81.07044	22.9
83.04993	1.7
83.08595	2.7
85.02892	49.7
85.06534	6.8
87.04450	3.9
89.39227	1.1
91.03941	2.5
91.05464	9.4
93.07024	13.6
95.04952	16.1
95.08587	15.7
97.02878	16.7
97.06504	1.6
99.04447	3.0
105.01853	1.4
105.07013	19.0
106.07317	0.8
107.07922	0.7
107.08570	18.8
109.02866	6.1
109.06523	2.2
109.10136	23.4
111.04445	1.2
111.08067	1.9
113.05987	13.5
117.07001	6.7
119.08557	10.2
121.10121	20.6
123.04456	1.1
123.11686	6.4
125.09541	1.4
127.03896	12.1
127.11198	1.3
128.06195	2.1
129.06993	8.2
131.08540	16.6
133.10112	21.4
133.11128	1.1
135.11655	7.1
137.09543	1.5
137.13252	1.7
138.56291	0.8
139.99886	0.9
141.06938	2.9
142.07790	8.0
143.08559	11.5
144.09280	1.3
145.04919	9.2
145.10089	18.9
147.11655	28.7
149.09601	1.2
149.13231	6.2
151.11183	1.4
155.08525	4.6
157.10101	61.0
159.11676	24.4
160.12041	0.8
161.13240	5.0
163.03925	1.1
163.11227	1.4
163.14807	1.6
165.09035	1.0
169.10106	4.1
171.11671	13.1
173.13278	5.4
175.11180	2.6
175.14832	1.9
183.11682	6.5
185.13239	4.0
187.14781	1.5
195.11600	1.3
197.13240	11.4
209.13304	1.9
211.14793	8.4
212.15691	1.1
213.16396	1.4
221.13257	1.2
223.14691	1.0
224.15550	2.0
225.16341	3.9
228.29358	1.0
238.17075	1.4
251.17902	3.1
253.19469	100.0
254.19865	1.7
255.21178	2.8
265.19318	1.0
269.18869	1.9
271.20517	35.1
275.11276	1.0
283.24182	2.4
291.26675	1.7
298.60486	0.9
309.27762	1.8
327.28937	1.1
344.99533	1.0
377.28595	1.6
395.29352	1.4
413.30374	1.1
433.25842	20.0
434.25821	1.1
519.87860	1.3
543.36316	1.1
557.35358	1.2
575.35706	85.3
576.35699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.0
53.03927	9.6
54.99272	2.5
55.01867	13.1
55.05504	51.9
57.03432	16.0
57.07046	7.3
59.04977	2.8
64.06192	2.0
65.03937	6.6
67.05495	100.0
67.31623	2.1
69.03416	9.4
69.07063	38.8
71.01346	4.8
71.04984	14.6
71.08665	2.2
71.69054	4.1
79.05481	82.2
81.03412	25.2
81.07043	86.9
83.04963	16.5
83.08617	30.7
85.02888	3.3
85.06524	6.8
91.04922	4.9
91.05468	75.1
91.06041	3.7
93.07030	71.7
95.04958	29.4
95.08591	62.6
97.02880	3.4
97.06529	19.5
97.10143	18.0
99.08069	4.9
105.07017	71.4
107.04922	16.3
107.08575	52.2
109.06499	12.4
109.10137	29.2
111.04458	3.2
111.08047	8.0
113.05981	4.3
115.05405	5.9
115.52978	2.1
117.07001	37.3
119.08568	47.4
119.74197	2.5
121.06485	12.8
121.10136	26.6
123.04391	4.4
123.08065	12.4
123.11678	8.9
125.09610	17.7
127.07555	2.8
128.06212	6.3
129.06970	20.9
130.07730	4.5
131.04916	3.6
131.08551	49.8
133.06458	5.7
133.10118	42.4
135.08044	14.5
135.11658	17.2
137.09619	7.6
141.06961	9.7
142.07747	5.6
143.08537	25.2
145.06512	6.2
145.10101	33.4
147.07997	9.7
147.11647	25.6
149.09595	13.7
149.13287	11.5
151.11163	3.7
153.06844	2.4
153.09093	5.1
155.08540	13.9
156.09285	2.8
157.10092	23.2
159.07991	6.0
159.11665	28.3
161.09601	5.6
161.13194	12.6
163.11182	11.9
165.12746	3.7
166.07701	2.9
167.08542	3.7
168.09315	2.5
169.10121	11.7
171.07983	2.5
171.10400	2.8
171.11684	15.4
173.09595	6.4
173.13260	12.4
175.11180	7.5
175.14792	6.5
177.12708	6.2
179.14296	3.0
181.10109	8.2
181.12175	2.8
183.11667	9.7
185.09599	5.5
185.13239	16.0
187.11186	5.7
187.14810	9.0
189.11211	10.3
189.12718	2.7
193.12244	10.5
195.11664	5.7
195.13715	2.9
197.09537	3.0
197.13257	9.9
199.11201	3.8
199.14830	6.5
209.11565	4.9
209.13300	6.1
211.13159	3.8
211.14966	4.2
213.12668	3.4
217.15915	3.0
218.39235	2.4
225.11171	5.8
225.16486	2.9
227.12761	18.4
229.14220	3.2
231.21112	2.9
239.17949	2.6
241.19510	6.9
244.93892	2.5
245.18982	3.2
257.19043	4.7
259.20566	17.9
267.15811	6.8
273.18613	13.7
273.21094	2.4
275.20102	24.6
283.15475	3.2
283.20630	2.8
285.17075	3.9
285.22031	5.8
287.20047	3.5
291.19385	12.9
295.20578	4.3
299.14944	16.8
299.20227	4.2
299.23431	4.2
311.19998	2.9
313.21713	5.1
315.23166	2.9
333.24289	11.5
339.23038	2.8
347.22113	4.1
349.23962	4.1
365.23486	2.7
405.31497	2.9
415.30389	3.6
421.25995	5.5
433.30896	11.2
447.29248	3.5
451.32013	13.2
465.29712	4.8
469.32834	4.2
483.30768	4.6
489.33646	2.8
499.34177	3.1
517.35156	16.4
525.35687	35.8
539.32953	4.6
540.12073	2.5
543.36768	33.4
557.34961	17.0
575.36328	35.9
575.49426	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	575.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	3.2
53.03930	8.2
55.01849	8.6
55.05500	58.4
57.03434	14.3
57.07080	3.0
65.03929	6.3
67.05493	100.0
69.03415	6.2
69.07056	35.8
69.97192	16.4
70.08131	2.6
71.04979	26.5
73.14247	2.4
77.54757	2.1
79.05476	75.3
79.59498	2.4
81.03395	10.1
81.07043	94.7
83.04955	10.7
83.08600	26.4
85.02899	2.5
85.06527	10.5
91.05465	70.2
93.07026	69.7
93.07583	4.5
94.07361	2.8
95.04982	13.4
95.08591	72.2
97.06513	15.4
97.10162	26.3
98.21414	3.9
99.08090	9.3
105.07017	62.2
107.04937	7.5
107.08573	44.3
109.06516	10.1
109.10128	29.1
111.08073	7.3
114.40264	2.6
116.06204	3.9
117.07003	39.6
119.08564	61.9
121.06493	10.2
121.10132	29.4
123.08045	8.1
123.11671	7.6
125.09608	27.2
128.06174	12.3
129.06973	28.7
131.08546	51.3
133.06502	5.0
133.10117	36.1
135.08017	12.9
135.11649	14.4
137.09608	5.6
139.07384	3.0
139.11189	3.2
141.06999	9.9
142.07726	6.9
143.08546	29.3
144.09412	5.0
145.06433	6.9
145.10095	41.8
147.08075	8.3
147.11646	19.8
149.09615	7.9
149.13196	6.8
151.11159	7.1
153.07019	3.2
153.09111	3.6
154.07713	4.5
155.08519	16.4
156.09283	3.2
157.10101	30.0
159.08044	6.1
159.11693	30.2
161.09647	7.0
161.13239	7.7
163.11205	5.3
167.08598	6.1
168.09273	3.6
169.10094	21.0
171.07957	2.9
171.11682	25.2
173.09601	9.6
173.11911	3.7
173.13214	15.1
175.11174	9.4
175.14795	5.4
177.12764	3.6
179.07100	2.6
179.08617	3.8
180.09351	3.7
181.10085	14.5
183.11653	23.1
185.13216	18.2
187.11232	3.2
187.13290	2.9
187.14825	10.5
189.11247	15.2
189.12743	5.3
191.14336	3.2
193.10155	5.3
193.12115	4.1
195.11597	15.4
197.13214	14.8
199.11255	2.9
199.13222	3.5
199.14839	11.4
201.12627	3.0
207.11609	3.6
209.13254	9.6
211.14848	7.7
215.14310	4.7
217.15863	5.5
221.13271	4.8
223.14841	5.8
227.12712	22.4
229.14244	6.3
235.17053	4.1
259.20721	3.2
273.18463	7.0
275.20081	5.2
283.20462	6.4
285.22116	7.7
291.19659	9.4
295.20364	4.2
299.23633	14.9
301.21713	5.4
325.21414	3.8
341.24368	3.8
351.23187	3.6
353.24780	4.2
357.24414	3.0
361.71194	2.9
365.23099	3.7
367.17935	3.3
415.30243	6.2
421.25751	12.1
431.28809	3.3
433.31039	23.9
443.27667	3.8
443.42380	3.0
451.31879	21.4
465.33575	4.0
469.33072	16.3
483.34607	2.8
499.34088	5.9
507.34473	10.4
515.36743	3.7
517.35242	31.7
525.35632	74.2
526.35962	3.1
543.36719	76.3
557.38556	26.5
575.39606	48.3
576.39453	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	575.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01582	3.5
53.03938	9.7
55.01856	12.6
55.05504	46.5
57.03423	13.4
57.07049	7.2
59.04976	4.7
65.03915	7.8
67.05490	100.0
69.03427	4.7
69.07061	31.8
71.04979	21.8
71.08601	5.8
71.69606	4.5
79.05482	54.9
81.03403	10.0
81.07047	66.4
83.04970	8.5
83.08599	23.2
85.02838	4.2
90.85077	3.5
90.85767	4.0
91.05457	61.6
93.07027	70.7
95.04948	17.6
95.08591	73.0
97.06516	15.6
97.10134	23.7
99.08080	16.0
105.07017	52.2
107.04908	6.9
107.08585	41.0
109.06506	9.4
109.10104	30.1
111.08093	4.4
115.05402	4.3
117.07030	26.3
119.08559	42.7
121.06484	5.7
121.10126	38.7
123.08038	8.7
123.11683	5.8
124.32854	4.6
125.09591	15.7
128.06187	5.3
129.07011	20.2
131.08536	39.4
131.18835	3.8
133.10094	25.6
135.08017	9.9
135.11681	15.0
137.09569	9.4
141.07016	7.8
143.08482	20.9
144.09212	4.5
145.10127	33.0
147.07951	6.5
147.11688	15.0
149.09579	11.9
155.08508	13.9
157.10074	23.5
159.08031	6.7
159.11679	18.2
161.09584	4.8
161.13268	6.3
163.11176	7.9
167.08546	7.2
169.10132	8.5
171.08145	6.0
171.11694	12.5
173.09639	4.9
173.13228	8.8
175.11180	6.8
177.12578	5.2
181.10141	8.1
183.11693	15.3
183.13902	3.7
185.13226	12.5
187.11105	5.3
187.14764	4.8
189.11256	8.7
195.11607	6.9
197.13245	7.1
209.13234	8.0
211.14922	6.1
223.14862	9.7
227.12685	19.8
241.14240	4.6
273.18054	4.0
275.20044	11.4
283.20557	5.5
291.19568	5.4
299.23749	9.8
305.05444	5.1
321.21786	4.7
421.25916	14.7
433.31085	13.3
451.31836	14.9
469.32791	8.3
499.34363	6.4
517.35095	34.5
525.35681	41.7
543.36780	50.4
557.37964	13.9
575.39716	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	575.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20063	1.4
53.03924	3.3
55.05237	2.1
55.05500	41.3
57.07063	73.1
65.03928	2.6
67.05142	2.4
67.05492	45.6
69.07053	73.7
71.08617	63.3
79.05475	8.0
81.07041	86.0
82.07346	1.8
82.20220	1.4
83.08601	59.6
85.06594	2.0
85.10165	37.9
91.05460	4.9
93.07012	5.5
94.08488	1.4
95.08588	100.0
96.08955	1.6
97.06572	1.5
97.10152	54.8
98.20660	3.1
99.11706	4.7
105.06995	2.5
107.08578	4.3
109.10133	63.7
111.11699	42.4
113.13266	4.2
119.08564	1.5
121.10143	2.5
123.11681	28.3
125.13232	18.2
127.14725	1.7
135.11594	2.9
137.13206	13.1
137.22716	1.4
139.14786	6.5
151.14801	9.4
153.16360	1.5
165.16354	9.5
179.17902	4.0
193.19449	2.2
208.65509	1.4
221.22621	1.6
263.23816	1.5
290.02295	1.4
291.30289	2.4
305.31848	2.1
333.35123	1.7
364.77094	1.7
450.63748	1.7
557.60168	20.4
575.49915	16.9
575.60870	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1331
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
51.02355	0.9
53.27079	0.6
55.01834	1.0
65.03904	0.7
67.05452	2.9
68.99749	1.8
69.03413	4.1
69.63885	4.0
69.64290	2.0
70.06557	1.1
79.05466	1.1
81.03362	2.1
91.05418	1.2
93.03331	0.7
95.04948	4.6
96.66431	0.7
97.02831	2.3
105.03338	1.4
105.16731	0.6
107.04937	4.3
111.04388	2.5
115.05405	1.4
119.04896	4.1
121.02829	0.8
123.04405	92.0
124.04699	0.9
125.05927	2.0
125.58597	0.7
131.04840	0.8
133.06412	1.2
135.04353	3.3
139.02872	1.0
139.03873	15.1
142.04095	0.8
147.03316	1.0
147.04372	13.2
150.09436	0.7
151.03876	76.4
152.04222	0.9
153.05450	10.4
155.04941	0.9
161.05893	2.9
163.02640	1.3
163.03877	16.1
164.68164	0.7
165.05452	12.7
171.04349	2.7
173.05911	0.9
175.03836	1.3
179.03348	2.9
181.04926	47.7
185.05855	0.9
187.03865	1.2
189.05446	20.0
191.03459	1.1
197.05864	0.7
199.03891	8.3
201.05472	1.7
203.03435	1.0
205.09929	0.8
213.05428	1.9
213.25970	0.7
215.03354	6.9
217.02797	1.4
217.04916	28.7
227.03383	8.8
228.04143	1.1
229.04953	3.5
239.03391	1.3
241.04843	2.9
243.02750	1.9
243.06390	0.8
245.04407	100.0
246.04758	2.5
257.04404	5.8
269.04532	1.5
279.06726	0.8
287.05383	3.9
294.33664	0.8
319.05923	1.1
361.06979	2.6
379.08096	6.1
394.37473	0.8
397.09146	11.7
407.07599	1.6
425.08591	78.1
426.08957	3.1
577.13324	42.7
577.29803	2.2
578.13757	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01860	10.3
55.05501	23.4
57.07065	7.0
61.02913	5.0
67.05494	30.1
69.03419	24.4
69.07063	52.1
70.06569	8.1
71.04977	15.9
71.68102	4.5
79.05478	18.1
79.68313	3.6
81.03402	17.3
81.07043	100.0
83.04975	7.0
83.08613	30.4
85.02888	49.1
85.06526	10.2
87.00808	17.3
91.05464	11.4
93.07035	31.3
95.04969	8.1
95.08591	83.4
97.02876	12.8
97.06541	9.3
97.10142	15.5
99.04437	6.7
99.08056	6.9
103.05417	4.6
105.01842	21.5
105.07010	11.4
107.08568	28.3
109.02858	15.0
109.06498	7.6
109.10133	51.3
111.08057	6.8
111.11711	14.6
119.08562	9.0
121.10115	19.8
123.04404	8.9
123.11674	24.1
125.13275	14.4
127.03925	24.5
127.11164	5.5
129.05550	5.1
129.06996	5.6
131.08571	10.5
133.10081	11.8
135.11670	11.5
137.13246	20.1
139.03932	5.1
145.04936	9.4
145.10098	15.2
147.11684	12.9
149.09586	5.6
149.13240	20.2
151.14801	9.5
151.51830	4.0
155.14294	9.2
157.10124	20.3
159.11688	14.5
161.13332	5.9
163.14810	9.4
164.06624	4.2
167.14357	10.8
169.10022	4.8
169.15877	4.0
171.11699	7.5
173.13234	5.5
177.88710	4.3
179.17924	7.5
183.11598	4.8
185.13199	6.1
193.19449	4.4
231.05070	5.0
241.75360	3.7
249.06090	5.0
253.19441	28.3
271.20511	41.3
275.27444	9.7
280.81750	4.0
281.28314	9.8
293.28409	23.4
311.29297	4.9
413.30130	9.7
415.32050	15.2
431.31577	12.5
548.59650	4.1
559.35602	5.1
577.36670	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	577.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01860	10.3
55.05501	23.4
57.07065	7.0
61.02913	5.0
67.05494	30.1
69.03419	24.4
69.07063	52.1
70.06569	8.1
71.04977	15.9
71.68102	4.5
79.05478	18.1
79.68313	3.6
81.03402	17.3
81.07043	100.0
83.04975	7.0
83.08613	30.4
85.02888	49.1
85.06526	10.2
87.00808	17.3
91.05464	11.4
93.07035	31.3
95.04969	8.1
95.08591	83.4
97.02876	12.8
97.06541	9.3
97.10142	15.5
99.04437	6.7
99.08056	6.9
103.05417	4.6
105.01842	21.5
105.07010	11.4
107.08568	28.3
109.02858	15.0
109.06498	7.6
109.10133	51.3
111.08057	6.8
111.11711	14.6
119.08562	9.0
121.10115	19.8
123.04404	8.9
123.11674	24.1
125.13275	14.4
127.03925	24.5
127.11164	5.5
129.05550	5.1
129.06996	5.6
131.08571	10.5
133.10081	11.8
135.11670	11.5
137.13246	20.1
139.03932	5.1
145.04936	9.4
145.10098	15.2
147.11684	12.9
149.09586	5.6
149.13240	20.2
151.14801	9.5
151.51830	4.0
155.14294	9.2
157.10124	20.3
159.11688	14.5
161.13332	5.9
163.14810	9.4
164.06624	4.2
167.14357	10.8
169.10022	4.8
169.15877	4.0
171.11699	7.5
173.13234	5.5
177.88710	4.3
179.17924	7.5
183.11598	4.8
185.13199	6.1
193.19449	4.4
231.05070	5.0
241.75360	3.7
249.06090	5.0
253.19441	28.3
271.20511	41.3
275.27444	9.7
280.81750	4.0
281.28314	9.8
293.28409	23.4
311.29297	4.9
413.30130	9.7
415.32050	15.2
431.31577	12.5
548.59650	4.1
559.35602	5.1
577.36670	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	577.3728
Annotation	Diosgenin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.74705	0.5
53.03930	1.1
53.51675	0.4
55.01851	1.6
55.05505	2.9
56.96550	0.6
57.03413	2.0
59.45245	0.5
61.02923	2.4
67.05492	7.4
67.26003	0.5
69.03413	9.0
69.07056	29.5
70.83461	1.5
71.04958	1.3
73.02868	1.2
73.06555	3.5
77.70010	0.5
79.05474	4.2
81.03415	4.7
81.07042	8.4
83.01334	0.5
83.04959	0.6
83.08575	0.8
85.02385	1.1
85.02890	22.9
86.43774	0.5
87.04437	1.4
91.03941	1.5
91.05458	6.4
93.07028	8.0
95.04940	1.7
95.08585	7.5
97.02872	8.9
97.06519	7.2
99.04405	1.4
105.06993	6.5
105.45754	0.5
107.04899	1.0
107.08569	10.2
109.02854	2.5
109.06504	9.7
109.10143	11.1
114.85599	0.6
115.05411	0.9
115.07550	12.8
117.06993	2.2
119.08555	6.1
121.09256	0.8
121.10132	14.9
123.04372	0.8
123.08052	0.9
123.11678	1.7
125.09619	1.2
127.03906	4.6
128.06192	1.1
129.06944	3.5
131.08534	8.0
133.09186	0.8
133.10117	13.0
135.07991	0.6
135.11708	3.1
137.09569	1.2
141.06960	1.6
142.07773	3.5
143.08514	5.4
144.09314	0.7
145.04968	4.3
145.10083	10.0
147.11659	16.1
149.09554	1.7
149.13231	2.1
151.11119	2.1
152.01494	0.5
155.08534	1.8
157.10101	32.3
159.11665	17.1
161.13217	2.2
163.05913	0.7
163.11179	1.7
165.09064	0.5
167.10655	8.9
169.10139	2.4
170.10960	0.6
171.11681	7.1
173.13228	4.3
175.11143	7.2
177.12668	0.6
183.11652	4.1
185.13210	3.6
187.14664	0.9
196.12415	0.7
197.13237	6.8
198.13994	0.5
199.14810	1.2
201.16257	0.8
209.13284	0.6
211.14774	4.8
213.16310	2.0
223.14816	1.1
224.15585	2.4
225.16376	3.2
238.17094	1.3
253.19470	51.6
254.19936	1.0
255.21045	0.6
271.20514	100.0
272.20828	1.2
273.22223	0.7
283.24170	3.5
379.29810	1.0
396.94867	0.6
397.30923	2.1
413.30170	0.6
415.10217	1.8
415.31992	43.2
433.25583	1.0
541.34857	0.8
577.30200	0.6
577.37488	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	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01856	0.9
55.05486	2.4
57.03415	2.0
61.02912	2.9
63.07529	0.5
67.05495	7.8
69.03421	8.8
69.07058	33.1
70.06583	0.6
71.04967	1.5
73.02899	1.0
73.06552	5.0
79.05476	6.9
80.05796	0.6
81.03399	5.3
81.06613	0.7
81.07048	10.6
84.08089	0.7
85.02893	24.1
87.04460	1.3
87.98015	0.6
91.03934	1.3
91.05450	7.2
93.07034	10.9
95.04944	1.7
95.08595	8.4
97.02876	9.0
97.06528	8.2
97.10198	0.9
98.21490	1.2
99.04420	1.8
105.07008	10.1
106.68278	0.6
107.08576	10.9
107.55771	0.5
109.02839	3.1
109.06503	10.2
109.10138	12.6
110.86318	0.6
115.03927	0.6
115.07547	14.7
117.06974	3.4
119.08575	7.1
121.10128	16.6
123.08065	1.0
123.11673	2.5
125.09589	1.7
127.03915	5.5
128.06203	0.8
129.06989	3.1
131.08553	9.8
133.10110	13.6
135.11665	3.8
137.09596	1.1
141.06902	0.7
142.07747	5.2
142.37794	0.6
143.08553	6.0
144.09352	0.9
145.04929	4.4
145.10109	11.4
147.11662	18.6
149.09581	1.2
149.13222	2.8
151.11142	2.5
155.08499	2.3
156.09410	0.6
157.10104	36.6
159.11670	20.7
161.09587	1.5
161.13217	2.6
163.11168	2.1
167.10664	7.6
169.10104	3.1
171.11664	9.2
173.13237	4.8
175.11179	7.2
175.14659	0.9
177.12715	2.0
183.11644	5.6
185.13217	3.3
187.14807	1.1
196.12460	1.2
197.13217	7.1
199.14810	1.0
201.16289	0.7
209.13240	0.9
211.14772	6.0
213.16310	1.8
224.15645	2.0
225.16393	4.0
234.19214	0.8
238.17253	1.5
251.69476	0.7
253.19487	54.2
254.19930	0.8
255.21074	1.0
271.20526	100.0
272.20993	1.5
283.24203	3.5
321.50983	0.7
379.29868	1.4
397.30957	1.4
403.45908	0.6
415.10260	1.2
415.32025	40.3
433.25751	2.7
541.35370	0.8
577.29242	1.1
577.37213	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	577.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12884	2.9
52.41832	2.5
53.03939	9.0
55.01860	15.8
55.05504	30.7
57.03431	14.0
57.07062	4.5
65.03930	4.5
67.05493	92.8
69.03431	5.7
69.07053	27.7
71.04980	10.7
76.32922	2.3
77.03924	2.7
77.29769	2.4
78.90966	2.2
79.05481	91.4
81.03403	11.5
81.07043	100.0
82.07392	2.5
83.04955	29.5
83.08601	18.9
85.02894	4.4
85.06530	8.4
85.45791	2.5
91.05460	97.4
93.07032	99.7
95.04957	25.6
95.08588	51.7
97.06522	22.8
97.10159	6.8
99.04414	5.0
99.08053	8.4
103.05479	7.1
105.07014	87.8
107.04941	40.1
107.07915	4.4
107.08582	61.2
109.02834	3.5
109.06533	8.7
109.10145	24.2
111.04424	26.8
111.08080	11.9
115.05443	4.5
117.07002	34.7
119.08568	87.1
121.06474	9.0
121.10123	56.7
123.04469	4.3
123.08051	7.3
123.11662	6.4
125.05962	3.4
125.09623	3.0
128.06242	4.0
129.05482	4.2
129.06961	18.8
130.07838	4.3
131.04944	4.9
131.08545	51.3
131.09459	4.9
133.06456	4.3
133.10106	57.6
135.08026	6.5
135.11670	53.8
137.09590	4.8
139.03915	5.2
141.06927	3.8
142.07758	2.5
143.08537	10.2
145.06450	9.8
145.10117	65.9
147.08052	5.2
147.11682	54.2
149.09550	13.1
149.13235	12.8
151.11195	4.5
153.12740	7.7
155.08551	12.5
156.09367	3.6
157.10110	15.5
159.07994	4.1
159.11649	25.0
161.09595	4.1
161.13240	45.5
163.11169	46.7
163.14792	6.1
169.10023	2.6
171.11617	15.8
173.09570	22.6
173.11946	4.0
173.13200	19.5
175.11188	4.6
175.14796	23.1
177.12801	4.0
181.12172	17.3
183.11786	4.2
185.13231	16.4
187.14804	7.2
189.11246	2.8
191.10645	23.2
199.14793	8.2
201.12596	2.9
201.16374	2.9
209.11737	9.3
213.16376	4.1
217.19521	3.9
227.12775	24.7
229.75694	3.6
231.21078	11.4
241.19511	46.4
243.21140	2.6
257.19055	9.3
259.20541	93.1
261.21988	3.2
265.14359	20.9
273.18420	5.4
275.20102	11.5
277.21555	11.4
283.15344	50.2
299.14941	4.5
301.16449	44.8
315.23166	11.7
333.24216	57.8
335.25897	6.2
349.23752	4.6
351.25223	4.3
403.29910	3.2
421.30713	4.0
449.30350	5.0
467.31519	12.1
485.32556	4.1
513.35522	10.7
523.34131	9.3
531.36981	3.2
541.35260	27.4
559.36292	34.4
577.37518	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	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86908	2.3
53.03931	7.8
55.01867	28.2
55.05503	58.2
57.03428	17.6
57.07062	3.5
62.52742	1.9
65.03927	7.3
67.05495	99.8
69.03423	8.0
69.07054	35.3
69.57497	5.8
69.57919	15.4
71.04981	11.1
79.05482	90.3
79.05846	1.5
81.03406	65.0
81.07044	100.0
83.04980	24.4
83.08606	38.0
85.02892	21.3
85.06525	8.6
91.05461	95.2
93.06437	4.0
93.07033	79.7
95.04952	39.6
95.05512	4.2
95.08592	53.1
97.02885	3.5
97.06520	40.6
97.10159	19.3
102.54334	2.1
103.05453	6.0
105.07011	87.1
107.04938	32.2
107.08578	51.3
108.83012	2.3
109.06510	13.5
109.10143	30.4
111.04419	6.1
111.08063	15.4
113.05982	4.1
115.05440	4.8
117.07014	26.5
117.35990	2.3
119.04927	3.8
119.08567	61.0
121.06489	10.1
121.10125	32.9
123.04403	6.3
123.08064	11.2
123.11664	10.9
125.09604	17.6
127.07630	2.5
128.06255	2.7
129.07022	16.2
130.07805	3.0
131.08543	38.5
133.06479	7.8
133.10107	45.9
135.04424	3.5
135.08034	11.8
135.11719	15.4
137.09583	7.8
139.03912	5.3
139.07538	2.6
139.11168	5.1
141.06956	4.5
142.07797	4.7
143.08527	9.6
145.06535	4.6
145.10107	32.3
147.08009	8.4
147.11658	40.0
149.02306	4.7
149.09592	42.6
149.13249	7.8
151.03802	2.7
151.11159	8.0
153.08975	3.8
155.08574	5.9
157.10118	20.1
159.07970	3.7
159.11674	20.3
161.09512	4.0
161.13263	10.4
163.03839	2.9
163.11154	17.3
165.09100	3.9
165.12735	6.8
169.10141	8.0
171.10217	2.8
171.11668	8.6
173.09763	2.7
173.11777	4.9
173.13239	13.2
175.11142	16.3
177.12817	2.7
177.97636	2.0
179.14259	4.4
181.09988	3.8
183.11682	7.0
183.47319	2.2
185.13239	6.2
187.11238	3.7
187.14815	4.5
189.11217	9.3
193.05009	7.2
193.12222	50.8
197.13292	5.0
201.12865	2.5
205.12178	3.7
209.13333	2.3
211.13248	47.2
211.15163	3.3
227.12764	18.0
229.14299	3.3
229.19595	3.5
239.17885	4.4
241.19475	3.0
245.13841	3.1
247.20596	5.8
257.18970	15.6
259.20523	6.1
267.15869	22.4
269.17410	3.8
273.18442	3.4
274.94467	2.4
275.20026	85.2
275.23029	4.6
276.20209	2.2
285.16895	33.0
291.19562	7.7
293.21057	11.1
299.19754	2.5
301.16534	4.0
301.21594	5.1
317.21231	2.5
331.22562	4.4
333.24103	3.3
349.23666	42.3
355.22485	2.8
381.22745	4.7
431.29300	2.4
449.30484	4.2
467.31473	4.6
485.32458	4.7
523.34064	4.1
541.35266	17.9
559.36121	35.5
577.37543	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	577.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.4
55.01861	23.4
55.05499	30.8
57.03426	18.0
57.07063	3.1
65.03931	6.8
67.05494	98.9
69.03397	3.9
69.07063	25.4
69.91504	12.7
71.04971	9.7
71.08591	2.6
79.05479	90.1
81.03395	17.2
81.07042	93.7
81.56287	2.1
83.04962	30.5
83.08611	17.3
85.02903	5.4
85.06516	6.8
91.05460	87.7
93.07029	100.0
95.04961	27.3
95.08588	52.1
97.06520	25.8
97.10132	9.7
99.04421	5.2
99.08072	7.2
105.07011	82.1
107.04939	34.5
107.08575	52.5
109.06497	13.8
109.10141	23.8
111.04418	29.5
111.08049	15.0
112.70611	2.2
115.05458	4.9
117.06998	34.6
119.08560	72.8
121.06465	9.5
121.10124	57.4
123.04395	6.2
123.08064	7.4
123.11694	5.1
125.05976	2.6
125.09609	8.9
128.06158	4.1
129.05455	3.2
129.06967	19.2
130.07770	2.2
131.04875	3.2
131.08546	44.3
131.09547	2.1
133.06488	4.5
133.10109	50.6
135.04379	4.0
135.08023	9.2
135.11658	43.6
137.05952	1.9
137.09569	7.7
139.03914	2.0
139.11150	2.5
141.06958	4.0
142.07739	3.5
143.08548	15.9
145.06482	6.7
145.08963	3.4
145.10103	58.7
147.07986	6.2
147.10568	3.3
147.11662	42.1
149.09586	13.6
149.13194	17.2
151.11136	4.1
153.12691	11.6
155.08519	11.4
157.10098	14.8
159.08034	2.0
159.11636	21.8
161.09602	5.6
161.13226	35.0
163.11150	39.6
163.14822	6.3
165.12753	3.6
169.10075	6.5
171.11673	14.6
173.09645	24.1
173.13196	17.5
175.11166	4.4
175.14798	16.5
177.12790	2.8
179.14235	2.9
181.12206	19.6
183.11578	4.2
185.13226	13.4
187.14815	7.6
189.12776	4.4
191.10625	21.2
191.14302	2.5
193.12238	5.6
197.13231	3.1
199.14746	8.3
201.16295	4.5
203.14511	2.6
209.11575	9.4
211.13222	3.9
211.14980	2.8
219.13766	2.2
225.11174	2.7
227.12726	21.7
231.21106	6.1
239.17900	2.5
241.14107	2.3
241.19458	33.0
257.18982	7.8
259.20532	61.2
265.14267	16.8
267.15799	5.8
273.18484	4.5
275.20032	15.4
277.21619	8.2
283.15326	35.4
291.19550	6.8
299.14697	5.2
301.16409	47.9
301.21561	2.8
315.23178	7.2
331.22717	3.1
333.24228	34.3
335.25919	5.4
349.23901	3.0
351.25250	4.7
421.31049	5.0
431.29498	2.1
449.30463	9.0
467.31314	7.5
485.32266	5.4
495.33997	2.6
513.35626	11.1
523.33862	6.5
541.34943	26.4
559.36310	30.9
577.37238	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	577.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.6
54.03854	3.1
55.01858	7.5
55.05503	35.4
57.03418	14.6
57.07057	6.2
61.15101	3.2
65.03928	4.5
65.12321	3.1
67.05498	100.0
69.03425	4.7
69.07056	35.2
69.64116	6.8
69.64530	20.5
71.04969	18.5
79.05483	73.8
81.03403	21.5
81.07043	98.8
83.04966	10.1
83.08606	23.1
84.97005	3.2
85.06529	14.5
89.37935	3.7
90.01272	3.7
91.05463	69.8
93.07030	76.0
95.04950	19.9
95.08589	71.4
97.06505	15.0
97.10143	18.2
105.07014	53.2
107.04932	6.8
107.08576	46.8
109.06494	8.3
109.10143	36.1
111.08051	6.7
115.05386	4.2
117.06998	27.0
119.08557	54.9
121.10125	44.4
123.08076	7.6
123.11689	14.2
125.09589	15.4
128.06270	3.2
129.06979	18.9
130.07686	3.9
131.08554	42.7
133.10118	30.9
135.08028	4.5
135.11673	19.1
137.09593	4.2
137.13219	8.6
143.08522	13.8
145.10118	32.0
147.11694	26.8
149.09599	8.4
149.13240	13.3
155.08508	10.6
157.10107	15.9
159.11691	25.5
161.09518	3.3
161.13255	15.8
163.14830	5.4
169.10100	6.6
171.11662	15.6
173.13234	14.6
175.11134	6.4
175.14787	9.3
183.11731	4.4
185.13219	10.2
187.14771	7.2
189.11174	10.7
193.12218	10.7
197.13220	7.2
199.14867	3.9
209.13329	4.1
211.14789	5.6
227.12711	17.3
229.78854	3.6
233.15388	4.9
239.16266	3.6
243.20970	4.5
245.54092	3.3
248.95802	3.2
261.22034	11.7
267.15930	30.7
285.22238	4.3
287.23633	3.9
289.21399	7.1
301.25104	16.6
303.23187	5.6
323.23563	4.4
335.25748	23.1
350.36237	4.0
363.25156	9.3
417.31232	6.9
435.32382	18.2
453.33508	17.8
471.34619	9.4
489.35437	3.9
501.35690	3.9
509.36215	8.0
519.36774	4.3
527.37280	76.9
545.38312	64.0
559.39911	17.0
577.40564	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	577.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.8
53.03920	4.9
55.01857	7.4
55.05503	42.2
57.03424	13.2
59.04977	3.6
65.03918	5.3
67.05492	86.3
69.03395	3.3
69.07050	29.4
71.04998	18.1
71.15260	5.6
79.05481	63.0
81.03403	22.7
81.07040	100.0
83.04953	9.2
83.08604	20.3
84.47694	2.5
85.06526	10.1
89.60328	2.6
91.05464	53.4
93.07027	72.9
95.04945	19.8
95.08586	60.6
97.06524	13.4
97.10159	20.9
103.05468	3.2
105.07014	51.7
107.04913	4.5
107.08581	44.9
109.06506	5.9
109.10129	28.9
111.08083	4.0
115.05412	4.4
117.06992	16.8
119.08563	43.6
121.06471	5.9
121.10111	34.7
123.08033	6.6
123.11674	10.0
125.09603	12.5
129.06976	14.0
131.08543	38.5
133.10117	25.7
135.08000	5.0
135.11697	15.2
137.13211	4.8
141.06892	4.3
143.08545	16.3
145.10100	27.5
147.07957	3.9
147.11664	25.2
149.09634	5.4
149.13214	8.5
155.08549	7.5
157.10112	15.4
159.08054	2.8
159.11661	22.8
161.09564	4.6
161.13231	12.6
163.11143	4.8
165.12738	5.9
169.10081	9.5
171.11626	13.4
173.13213	15.5
175.11118	5.4
175.14771	6.7
177.12761	3.2
181.10118	5.9
183.11716	9.3
185.13214	12.8
187.14778	8.8
189.11224	7.7
193.12222	9.1
195.11749	4.5
197.13228	5.3
199.14783	4.9
201.14638	3.0
211.14801	5.7
213.14697	3.9
227.12781	15.5
229.14314	3.3
239.16330	3.1
243.21039	4.8
257.18936	3.2
259.20633	4.1
261.22049	5.9
267.15839	27.2
287.20123	4.7
287.23465	4.6
289.21503	6.3
299.23581	4.7
301.25119	11.5
303.23059	3.7
315.23074	3.5
335.25955	14.7
363.25369	5.5
417.31363	5.6
435.32581	19.4
453.33728	19.9
471.34567	13.1
491.35217	4.4
501.35461	3.4
509.35611	4.5
519.37347	3.1
527.37292	62.0
528.24835	3.3
545.38287	57.8
559.39398	8.5
577.40631	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	578.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01848	1.7
55.05486	4.0
55.30972	0.9
56.05016	1.7
57.03417	3.9
57.07049	1.3
61.02900	1.8
63.43836	0.8
65.03896	1.0
67.05492	10.5
68.05013	2.1
69.03415	15.1
69.07043	3.0
70.06564	2.5
70.12822	3.1
70.13238	1.2
71.04972	3.9
73.02895	3.5
79.05466	3.3
80.04990	2.7
81.03399	9.3
81.07047	5.8
82.06557	2.3
83.05009	0.8
83.08588	1.3
84.08125	2.5
85.02888	18.4
85.06473	1.1
87.00811	3.2
87.04457	1.1
91.05477	2.6
93.05758	1.3
93.07020	3.3
94.06563	3.2
95.04939	1.7
95.08578	3.8
96.08109	3.0
97.02864	9.4
99.04452	5.9
101.02324	1.0
103.03899	1.4
105.01830	0.9
105.07018	2.3
106.06517	2.3
107.07302	2.4
107.08543	2.1
108.08109	3.1
109.02865	9.2
109.10139	1.8
110.09640	1.2
110.81219	0.8
112.07558	1.3
115.03945	1.0
117.58697	0.8
120.08062	4.8
121.10093	1.3
123.04411	3.8
126.10284	1.9
127.03900	12.3
134.09618	2.4
136.11168	1.0
138.09132	1.9
139.03876	1.5
143.09384	0.9
145.04939	1.8
147.04338	1.1
156.10190	1.3
159.02850	2.2
162.12706	1.4
163.03888	1.2
167.06973	1.6
187.05995	0.9
248.23744	1.8
250.21663	3.7
254.21075	1.6
258.21924	1.0
262.21719	1.9
264.23184	4.3
266.24759	4.2
271.06128	1.5
276.23175	15.9
287.05502	1.1
294.24225	25.3
296.25882	2.5
312.25284	35.2
330.26321	87.1
331.26685	1.2
372.27820	1.0
436.30713	0.9
453.34323	1.6
516.31946	1.3
534.32654	42.5
535.32758	1.6
560.30872	0.9
578.31622	100.0
579.31873	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1336
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.49705	0.2
50.97319	0.1
53.03941	1.4
55.01862	1.1
57.03416	0.6
61.02903	0.7
64.06860	0.2
68.99768	0.7
69.03421	4.0
70.45416	0.4
70.45824	0.4
71.04966	0.7
73.02900	0.7
81.02937	0.3
81.03405	5.0
85.02895	6.8
87.00816	3.3
91.03939	0.2
92.02601	0.5
93.03392	0.5
97.02873	2.3
99.04433	1.7
105.01858	1.6
105.06986	0.3
107.08617	0.2
109.02865	3.6
117.01797	0.6
121.02824	0.7
123.04417	0.3
127.03896	4.8
129.01816	0.6
129.71669	0.2
134.99669	0.2
135.89841	0.2
137.05957	0.2
139.03899	0.2
140.04689	0.8
145.04947	1.5
147.02866	0.4
150.17827	0.2
151.03857	1.0
153.05417	0.3
159.02890	2.1
163.03825	0.2
166.02490	0.2
167.03378	9.4
179.03386	0.6
197.04358	0.3
213.03595	0.2
214.06024	0.2
215.07018	0.6
217.04956	0.7
227.03250	0.2
231.06821	0.9
232.07234	0.6
233.04440	0.3
242.05714	1.7
243.06491	1.8
245.04330	0.8
259.05991	1.8
260.06757	1.8
270.05249	0.3
271.05972	1.3
273.03909	0.3
274.04495	0.2
285.07458	0.3
287.05417	1.9
288.06247	4.0
298.04675	0.4
299.05472	2.3
316.05728	12.7
331.08066	100.0
332.08398	1.8
373.09189	0.3
535.24939	0.2
567.68579	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	579.1328
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03912	0.3
55.01855	0.2
55.05486	0.3
56.53197	0.1
57.03428	0.2
61.06007	0.2
67.05468	0.5
69.03419	1.2
69.07024	0.4
70.06561	0.3
71.04979	0.8
71.30221	0.2
71.30554	0.2
75.04477	0.2
79.05462	0.6
81.03413	1.2
81.07019	0.7
83.04955	0.3
83.08607	0.2
84.08117	0.2
85.02892	2.0
85.06545	0.1
86.09634	0.2
87.00798	0.3
91.05436	0.4
93.07025	0.3
95.04984	0.3
95.08578	0.4
95.53404	0.1
96.04471	0.5
97.02869	0.7
97.06486	0.3
97.92348	0.1
99.04431	0.6
99.08098	0.2
101.02384	0.3
105.03358	0.1
105.07004	0.6
107.04884	0.4
107.08562	0.4
109.02866	1.4
109.06520	0.2
109.10114	0.5
111.04408	0.3
117.06951	0.2
119.03361	0.4
119.08488	0.2
121.02844	0.3
121.10112	0.3
123.04385	1.0
123.11712	0.2
124.05245	0.3
125.09589	0.5
127.03881	2.0
129.05418	0.2
131.08540	0.3
133.06419	0.3
134.03540	0.3
135.04366	0.5
135.07954	0.2
135.11664	0.2
137.02336	0.3
137.05965	0.2
137.09538	0.2
139.03867	1.1
141.05434	0.3
145.04924	0.3
145.06419	0.1
145.10101	0.3
147.04276	0.2
147.11662	0.3
149.02368	0.2
151.03879	1.0
151.07404	0.2
151.11104	0.2
153.01820	1.3
157.10097	0.3
159.02937	0.3
159.11650	0.2
161.05923	0.2
163.03828	0.8
165.01865	0.2
165.05489	0.2
167.07004	1.4
170.89316	0.1
173.04526	0.2
173.05943	0.2
175.13791	0.2
181.04951	0.3
183.25682	0.2
189.05508	0.2
191.03308	0.2
191.07053	0.1
193.08588	0.3
194.02058	0.3
201.05402	0.2
207.10173	0.3
213.09128	0.2
217.04964	1.4
228.04114	0.7
229.04965	0.6
230.05717	0.2
231.02823	0.2
243.06526	0.4
245.04396	3.7
245.11687	0.2
253.19516	0.5
257.04407	0.8
258.05182	0.3
259.06049	0.2
269.04431	0.3
270.05136	0.4
271.05978	0.7
271.20578	0.2
273.03900	4.3
274.04507	0.3
285.03931	0.7
286.04596	0.2
287.05411	2.2
288.06241	2.3
289.06912	0.2
299.05417	0.7
300.02625	0.4
301.03378	9.2
302.04111	1.1
313.22064	0.2
315.01938	0.1
315.04932	11.7
316.05716	46.3
317.06467	5.2
331.08054	100.0
332.08429	1.7
373.09113	0.2
409.09137	0.3
417.11362	0.3
493.13315	1.8
533.44507	0.2
561.12256	0.4
579.13385	2.9
579.22766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01864	1.3
55.05496	0.5
56.96554	0.4
57.03414	0.8
61.02916	1.4
64.00444	0.2
64.53618	0.2
65.03941	0.3
66.37444	0.2
67.05489	1.2
68.99773	0.6
69.03414	5.5
69.07054	4.8
70.07378	0.9
70.88520	0.6
71.04993	1.3
72.89104	0.2
73.02904	1.0
73.06523	0.8
79.05467	0.8
79.77896	0.2
80.05779	0.3
81.02938	0.4
81.03398	5.7
81.07055	1.4
82.07386	0.3
85.02888	12.0
85.06519	0.2
86.03211	0.6
87.00803	3.5
87.04437	0.5
91.03946	0.5
91.05457	1.0
92.02602	0.6
93.03378	0.4
93.07014	1.3
94.07330	0.2
95.04946	0.4
95.08599	1.1
96.08917	0.3
97.02872	4.0
97.06506	1.2
98.03216	0.3
98.06799	0.5
98.97568	0.6
99.04430	2.1
105.01838	1.2
105.07008	1.3
107.08566	1.2
108.08861	0.4
109.02858	4.4
109.06482	1.4
109.10117	1.4
110.06812	0.4
111.04414	0.4
115.07539	1.5
116.07919	0.3
116.98584	0.5
117.01824	0.8
117.05437	0.3
119.08558	1.0
121.02821	1.0
121.10103	1.5
122.10475	0.5
123.04391	0.4
125.09583	0.3
127.03886	6.0
128.04277	0.4
128.98529	0.4
129.01794	0.5
129.07013	0.2
131.08533	0.7
133.10062	1.3
134.10454	0.6
134.99561	0.2
135.11725	0.3
137.09547	0.3
139.03886	0.4
140.04634	0.9
141.07005	0.3
142.07739	0.3
143.08466	0.4
145.04939	2.0
145.10062	1.0
146.10400	0.7
147.02757	0.2
147.11642	1.3
148.11981	1.0
149.09596	0.3
151.03856	1.1
153.05412	0.4
155.08583	0.3
157.10091	3.3
158.10425	1.7
158.99718	0.3
159.02847	2.5
159.11694	1.9
160.12012	1.0
161.01205	0.5
161.13199	0.5
163.03816	0.5
167.03372	8.3
167.10655	0.6
168.10968	0.3
171.11612	0.7
172.12018	0.5
173.13289	0.3
174.13573	0.3
175.11179	0.5
177.00702	0.5
179.03432	0.5
182.15376	0.3
183.11702	0.3
184.11955	0.3
185.01135	0.4
185.13210	0.5
197.13271	0.4
198.13536	0.4
203.02238	0.4
211.14809	0.5
212.15175	0.5
215.06967	0.7
217.04871	0.6
219.01797	0.7
224.15201	0.3
225.16216	0.2
231.06654	1.3
232.07286	0.9
237.02792	0.6
242.05688	1.1
243.06490	2.1
245.04289	0.8
253.19469	3.2
254.19821	3.6
255.20183	0.5
259.05978	1.5
260.06726	2.2
271.05890	1.1
271.20514	4.6
272.20865	6.8
273.21204	1.2
274.04675	0.3
287.05472	2.2
288.03226	0.4
288.06235	4.0
299.05441	1.7
316.05716	12.9
317.06299	0.4
331.08051	100.0
332.08447	2.9
415.31848	0.7
416.32318	2.8
417.32672	1.4
424.71518	0.3
439.10379	0.3
497.72031	0.3
535.38361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1485
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
51.02365	1.1
54.04417	0.9
55.01842	1.6
65.03922	2.1
65.72393	0.9
68.99767	5.2
70.64698	3.8
77.03925	0.9
79.20963	0.9
80.72293	1.0
81.03391	3.2
82.90573	1.0
89.66643	1.0
93.60613	0.8
95.04930	2.4
99.04422	1.6
107.04929	3.3
109.02836	2.9
111.00779	3.4
111.04384	3.2
112.02023	1.0
119.04926	3.8
121.02843	1.4
123.04405	64.4
127.03892	100.0
129.06961	1.1
131.04892	2.1
135.04385	30.5
135.58833	1.0
137.02313	6.1
139.03879	62.7
141.06927	1.5
143.04926	1.1
147.04382	9.3
149.02306	5.2
149.05952	2.1
151.03856	12.9
159.04381	3.6
161.05925	3.1
163.03882	38.9
165.05481	8.4
167.03394	8.4
169.06496	1.4
173.05966	3.0
175.03880	4.8
177.05417	4.9
179.03351	3.4
181.06403	1.7
183.04358	1.5
185.05908	2.1
187.03886	6.2
189.05452	2.8
191.03358	16.1
193.04938	4.6
197.05933	3.5
201.05418	8.3
203.03349	12.0
203.07021	3.1
205.04939	3.6
213.05449	2.9
215.03349	1.6
215.07034	2.8
217.04926	2.8
229.05000	9.0
231.06409	1.7
233.04425	7.8
237.05528	1.1
241.04861	2.4
243.06415	4.2
245.04413	9.8
247.05986	20.8
251.05489	1.4
252.23759	1.0
253.05042	1.2
255.06418	3.0
257.04376	13.9
258.04922	1.7
259.05954	14.0
260.34082	1.0
269.04297	2.7
271.05972	22.3
273.07574	2.4
275.05441	18.4
277.50275	1.1
283.05988	9.7
284.03531	1.1
285.07437	1.4
287.05450	30.6
289.07034	10.3
291.08627	11.1
299.05457	4.1
301.07056	18.8
303.08533	3.3
391.07712	1.0
409.09079	30.8
411.10559	2.3
421.08951	2.0
427.10196	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	579.1487
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
50.28858	0.5
53.03913	0.5
55.01855	1.2
65.03922	0.9
67.01852	0.6
68.99771	3.6
69.66886	0.6
69.90012	3.1
75.65217	0.5
81.03397	2.4
83.12976	0.5
89.03909	1.3
91.05450	0.8
93.03383	1.0
95.04955	1.2
99.04393	0.8
103.62763	0.7
105.03387	0.6
107.04922	2.8
109.02843	2.7
111.00771	1.7
111.04454	2.9
113.03149	0.6
114.62835	0.5
119.04930	1.4
121.02901	1.3
123.04410	42.0
127.03895	100.0
128.04161	0.7
129.06956	0.7
131.04912	1.0
135.04401	26.8
137.02339	2.6
139.03879	53.9
143.04907	1.1
147.04366	6.8
149.02316	2.9
149.05974	1.6
151.03893	9.1
153.06960	0.7
159.04373	1.9
161.05977	3.1
163.03879	30.8
164.04347	0.6
165.05467	8.1
167.03384	5.6
169.06465	1.7
173.04691	0.5
173.05925	3.1
175.03926	2.7
175.33012	0.5
177.05438	3.5
179.03357	3.4
181.04922	0.7
185.05977	0.9
187.03850	5.3
187.07623	0.9
189.05457	2.0
191.03383	8.3
193.04897	2.7
197.05963	2.2
198.15070	0.6
201.05443	5.0
203.03342	7.3
203.07011	2.0
205.04865	2.6
207.06557	1.7
209.06039	0.7
211.03929	0.6
213.05499	1.3
215.03369	1.2
215.06982	2.2
217.04944	1.3
225.05415	1.3
229.04965	5.4
231.06523	1.6
233.04462	4.1
241.05032	1.0
243.06512	4.1
245.04466	4.4
247.05980	14.5
251.05415	0.6
253.04977	1.6
255.06458	1.3
257.02002	0.9
257.04453	9.9
259.05951	6.1
261.07660	1.2
269.04398	2.7
271.05978	15.3
271.53253	0.5
273.07532	1.1
275.05438	13.4
283.05945	5.1
285.07672	1.0
287.05466	17.1
289.07004	12.6
291.08582	16.0
299.05426	2.3
301.07031	10.0
303.08490	1.3
409.09103	16.4
411.10696	0.8
421.09079	0.8
427.10226	4.3
435.10379	0.8
439.10336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1487
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
50.31251	0.6
51.02364	1.0
53.03931	1.1
55.01851	1.9
65.03925	1.1
67.05485	1.3
67.89887	0.5
68.77475	0.5
68.99776	3.0
71.21304	1.1
77.03912	1.0
81.03410	0.9
89.03913	0.6
91.05460	1.5
93.03394	0.9
95.04961	2.8
105.03390	1.3
107.04934	1.9
109.02860	1.1
111.00783	2.4
111.04414	2.3
115.05443	0.9
119.04934	5.4
121.02840	1.2
123.04412	100.0
127.03893	20.7
127.04830	0.9
129.07010	0.6
131.04840	1.3
133.06435	1.0
135.04405	15.5
137.02315	2.3
137.05980	1.1
139.03879	39.4
141.06947	0.6
143.04895	1.1
145.06467	1.0
147.04379	14.6
149.02322	1.8
149.05943	1.2
151.03888	5.8
153.07004	1.0
155.04878	0.5
157.06519	0.8
159.04410	2.2
161.05963	5.0
163.03885	28.9
165.05446	7.4
165.06802	0.7
167.03447	2.0
169.04970	0.9
169.06441	0.9
171.04439	1.0
173.02432	0.6
173.05968	3.0
173.20500	0.5
175.03871	3.1
177.05481	2.5
178.28307	0.6
179.03360	7.5
179.06978	1.0
181.04971	1.9
181.06497	1.0
183.04390	0.9
184.33363	0.5
185.05956	2.1
187.03821	3.2
187.07526	0.7
189.05385	2.9
191.03387	6.0
193.04956	7.0
197.05956	2.0
201.05464	4.6
203.03371	11.4
203.07031	1.0
205.04930	1.6
207.06520	2.1
213.05450	5.2
215.03426	2.2
215.07062	1.1
217.04884	3.0
225.05435	1.4
227.06920	1.0
229.04922	7.0
231.06541	2.6
233.04456	1.6
237.05493	0.7
239.07094	0.5
241.04889	4.0
243.06602	2.6
245.04398	14.4
246.20671	0.5
247.05991	14.6
253.04936	1.8
255.06407	4.2
257.04434	17.2
258.05194	2.5
259.05966	7.7
259.08304	0.8
261.07544	0.8
265.05075	1.0
269.04404	2.6
271.05988	9.7
273.07590	1.8
275.05472	12.0
283.05981	8.2
285.07571	2.4
287.05450	32.4
289.07083	5.9
291.08588	7.3
299.05435	8.6
301.07004	9.4
303.08603	1.7
311.05453	0.8
313.06918	2.1
331.08023	1.1
333.09720	0.8
384.84036	0.6
391.07858	0.9
393.09698	1.2
409.09125	31.5
411.10590	1.1
417.09775	1.0
421.09103	1.4
423.10806	0.9
427.10367	3.3
435.10614	6.8
439.10037	3.6
441.11816	0.8
453.11734	2.0
579.15082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.149
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
51.18176	1.3
53.03937	1.0
55.01854	2.5
63.34031	0.9
65.03939	1.6
67.05513	1.2
68.99782	5.0
70.02044	0.9
79.05483	1.1
81.03380	1.9
91.05490	1.0
95.04950	3.1
96.72493	0.9
105.03406	1.2
107.04950	6.4
109.02840	2.7
111.00784	3.3
111.04440	3.4
119.04934	3.7
121.02850	2.8
123.03503	2.2
123.04415	59.7
127.03904	100.0
129.72456	1.0
131.04884	2.7
135.04401	34.0
137.02324	4.9
139.03883	72.9
143.04880	1.2
147.04388	12.4
149.02292	5.4
149.05991	2.5
151.03893	16.9
156.40729	0.9
157.06433	1.0
159.04379	4.0
161.06012	5.3
163.03886	40.1
165.05466	8.8
167.03389	11.0
169.06499	2.3
173.06013	3.2
175.03915	6.4
177.05449	5.8
179.03395	5.3
181.04945	1.4
181.06447	1.6
185.05954	2.1
187.03862	7.3
189.05472	3.0
191.03377	18.0
193.04979	5.6
197.05965	4.0
201.05396	8.6
203.03349	12.9
203.06989	2.6
205.04955	4.1
206.01746	1.0
207.06480	2.3
213.05472	3.2
215.03448	1.4
215.07036	3.5
217.04849	1.6
225.05424	1.4
227.03285	1.2
227.07045	1.5
229.04858	8.5
229.77429	1.1
231.06551	6.4
233.04453	9.0
241.04922	2.6
243.06508	4.6
245.04453	11.6
247.05978	28.1
251.05602	1.9
253.05034	1.6
255.06483	3.3
257.04422	15.1
259.06030	13.1
261.07541	1.3
269.04391	3.4
271.05975	20.5
273.07617	2.4
275.05447	25.4
283.06036	8.0
285.07458	2.0
287.05463	32.1
289.07034	14.1
291.08572	16.6
299.05667	5.7
301.07007	21.6
303.08676	3.6
313.07104	1.8
379.07867	1.0
409.09088	33.7
411.10608	2.7
421.09067	2.3
427.10245	8.0
435.10608	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	579.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33856	3.2
52.41740	3.2
53.03916	5.0
55.01855	7.6
55.05505	25.9
57.03418	11.1
57.26620	3.2
65.03929	4.9
67.05493	100.0
69.07068	18.7
71.04991	5.5
71.67841	6.0
78.68828	4.1
79.05475	56.6
81.03378	9.8
81.07044	93.6
83.04976	21.3
83.08605	12.9
84.84175	4.1
91.05453	39.3
93.07034	64.8
95.04947	13.0
95.08602	58.2
97.06510	12.6
97.10185	8.6
105.07027	28.0
107.04949	21.4
107.08568	34.0
107.27378	3.7
109.06499	4.0
109.10141	34.9
111.04424	16.5
111.08050	8.0
115.05463	4.8
117.06999	11.6
119.08566	28.8
121.06483	5.7
121.10122	43.5
123.11652	6.5
125.09638	4.3
131.08562	23.6
133.10110	14.4
135.08051	4.5
135.11665	38.5
137.09615	4.2
138.64029	4.0
143.08524	5.8
145.06403	5.6
145.10118	27.3
147.08063	6.2
147.11658	10.0
149.09618	9.5
149.13210	7.2
153.12784	5.3
155.08597	5.3
157.10043	4.3
159.11661	8.7
163.11177	26.8
163.14746	5.2
171.11673	4.9
173.09653	12.7
173.11772	4.0
173.13196	9.5
175.14774	4.7
181.12175	7.8
187.14828	6.2
191.10677	16.9
191.14302	4.5
193.12306	4.4
197.13394	3.5
209.11603	5.3
220.48833	3.5
227.12775	19.1
243.21028	8.0
261.22070	23.3
265.14359	18.1
279.23087	9.6
283.15344	32.1
299.23740	3.8
301.16501	20.1
317.24689	7.3
327.67136	3.7
335.25745	28.1
423.33051	4.5
441.33826	6.2
451.32098	6.1
456.13168	4.3
469.32645	5.1
489.35889	5.4
515.37360	8.0
525.35480	6.9
543.36664	25.3
561.37756	21.2
579.38275	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	579.3883
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03936	6.8
55.01855	11.3
55.05507	27.1
57.03421	9.7
57.07053	3.9
65.03926	6.8
67.05499	96.4
69.03404	3.3
69.07060	21.0
71.04980	7.6
71.69919	3.9
79.05481	53.7
81.03397	10.8
81.07044	100.0
83.04981	19.8
83.08604	12.2
85.02873	3.0
85.06525	3.9
91.05463	40.3
93.07030	61.6
95.04974	19.0
95.08596	64.9
97.06513	14.5
97.10159	8.6
99.04430	3.3
103.05451	5.0
105.07025	28.2
107.04966	20.5
107.08580	43.6
109.06518	4.3
109.10144	39.9
111.04430	18.9
111.08080	8.3
117.06983	18.5
119.08568	23.5
121.06528	5.9
121.10119	42.2
123.08028	3.0
123.11674	12.3
125.05977	3.3
125.09641	7.3
125.50999	3.1
129.06950	5.4
131.08545	18.0
133.10100	15.6
135.08000	4.9
135.11674	28.9
137.13223	5.4
145.06438	5.2
145.10107	29.6
147.08031	3.3
147.11667	12.6
149.09605	6.0
149.13220	8.8
153.12718	9.5
155.08540	7.3
157.10162	4.6
159.11650	10.0
161.13223	8.3
163.11156	26.7
163.14789	3.9
164.75455	3.4
165.12657	3.0
173.09599	13.1
173.13243	10.1
181.12236	14.6
187.14896	4.8
191.10634	14.8
203.14311	3.7
209.11697	10.4
227.12695	18.1
227.20107	3.6
228.20065	3.2
229.14293	4.6
243.21103	5.8
259.20468	3.5
261.22162	23.5
265.14297	19.9
275.79828	3.3
277.21530	6.9
279.23102	8.1
283.15402	30.4
301.16397	22.6
312.63098	3.3
317.24771	6.0
335.25891	25.7
384.29800	3.4
451.31784	8.3
457.68765	3.4
469.33145	5.7
515.37018	5.1
525.35931	6.6
543.36871	23.2
561.37689	21.1
579.38556	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	580.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94775	0.4
53.03897	2.9
55.01817	2.0
55.05502	5.9
56.04980	2.9
57.03385	3.0
57.07043	0.9
60.04515	27.6
60.04811	1.1
61.02866	1.9
65.03877	0.6
67.05491	5.0
68.05022	2.5
68.99738	1.3
69.03417	17.9
69.07056	7.4
69.46609	5.2
70.06536	1.9
71.04989	2.8
72.04489	3.2
73.02895	3.0
74.06034	1.3
79.05477	2.6
80.05003	11.4
81.03399	14.7
81.07040	6.5
82.06581	2.4
84.04440	1.4
84.08109	0.6
85.02890	23.6
86.06013	1.3
87.00804	5.2
87.04380	1.4
90.05496	1.8
91.05445	0.9
93.06979	1.9
94.05994	0.5
94.06541	6.8
95.04936	0.7
95.08582	5.7
96.04448	0.8
96.08099	0.5
97.02880	8.3
97.10128	1.2
98.06004	1.4
99.04427	5.1
102.05497	0.8
103.03864	1.5
105.01841	3.1
105.06965	0.7
107.08524	1.0
108.08035	0.8
109.02864	12.9
109.10092	2.3
110.05979	1.3
112.07553	0.9
114.05453	0.8
116.07018	1.4
117.01851	0.7
119.08524	0.7
121.10072	0.7
123.11658	0.7
124.07528	0.5
127.03890	16.4
129.01735	1.5
130.08607	0.6
132.06503	2.7
133.10039	0.5
139.03796	0.8
142.08562	1.2
146.09552	0.5
159.02826	2.1
187.05925	2.2
205.06996	0.6
210.22134	6.8
231.04910	1.0
236.23668	1.8
240.23067	1.5
248.23697	4.6
250.25294	1.8
252.23198	1.0
260.23654	2.8
266.24728	0.8
271.51135	0.5
278.24741	9.8
282.42151	0.6
292.77155	0.5
296.25800	27.2
314.26831	56.3
315.27121	0.7
332.27887	100.0
333.28162	2.4
356.27975	1.3
374.29031	5.7
494.33011	3.4
500.32089	1.9
518.33191	2.0
536.34222	18.5
537.34436	0.7
544.31079	1.3
562.32147	1.5
580.33179	92.1
581.33923	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	581.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01857	1.0
55.05493	0.4
56.40189	0.2
57.03412	0.8
59.17256	0.2
60.04504	0.2
60.64923	0.2
61.02893	0.6
62.96207	0.2
65.03922	0.3
67.05475	0.7
68.99783	1.3
69.03417	4.0
70.01882	0.7
70.06583	0.4
71.04973	0.5
73.02888	0.5
74.72413	0.2
78.31740	0.2
79.05471	0.3
81.03403	4.4
81.07053	0.6
83.01362	0.2
85.02892	5.8
86.09685	0.3
87.00810	2.5
93.03397	0.3
93.07033	0.4
95.04950	0.2
95.08596	0.5
97.02881	2.0
97.85609	0.2
99.04464	1.3
105.01822	1.0
109.02863	3.5
109.10135	0.4
109.51958	0.2
111.00778	1.5
111.04409	0.2
117.01857	0.4
119.08569	0.2
121.02823	0.4
123.04385	0.7
124.05038	0.2
127.03901	3.8
129.01837	0.4
130.06479	0.2
133.06476	0.3
133.10066	0.2
134.52100	0.3
137.02328	1.3
139.03836	1.1
140.04654	0.4
145.04922	1.1
147.02814	0.3
151.03833	0.6
153.01802	7.3
153.05400	0.5
156.67128	0.2
159.02850	1.2
163.03806	0.4
165.01801	3.1
166.02571	0.5
167.03368	2.4
167.06915	0.5
169.01257	0.9
171.04359	0.2
179.03368	0.9
183.02834	0.8
189.05420	0.4
193.04968	1.0
195.02788	0.3
207.02872	0.4
213.05408	0.3
216.04224	0.3
217.04924	1.8
219.02899	1.2
221.04442	0.4
227.03391	0.4
229.04919	0.2
233.04417	0.4
234.05231	0.3
241.04874	1.2
244.03622	1.3
245.04382	2.7
247.02399	0.3
255.02797	0.9
259.06012	1.5
261.03882	0.8
262.04556	0.3
272.03073	0.6
273.03882	3.2
277.07013	1.3
278.24756	0.3
285.03821	0.2
287.05478	2.1
289.03354	2.0
290.04153	1.1
296.22330	0.5
296.25613	0.4
300.02451	0.5
301.03351	4.1
303.04620	0.3
304.05792	1.0
314.23230	0.5
314.26770	0.4
315.04892	0.6
315.19760	0.2
315.23560	0.3
318.03653	5.5
332.24335	0.4
332.27917	0.8
333.05975	100.0
334.06409	2.6
375.06628	0.2
484.94250	0.2
536.33710	0.3
537.34430	0.3
580.33240	0.7
581.33813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24929	0.2
53.03927	1.0
55.01852	1.0
55.05496	0.3
55.23001	0.2
57.03414	0.7
61.02904	0.5
65.03921	0.4
65.06434	0.2
67.05495	0.4
68.99783	1.2
69.03423	3.5
69.07035	0.2
70.06575	0.4
71.04964	0.6
71.70168	0.2
73.02902	0.6
81.03402	4.3
81.07041	0.6
83.04981	0.3
85.02884	5.4
85.75856	0.2
87.00816	2.4
93.03375	0.3
93.07018	0.2
95.08582	0.4
97.02872	2.1
99.04428	1.4
105.01861	1.3
109.02176	0.3
109.02863	3.7
109.10223	0.3
111.00791	1.6
111.04432	0.2
117.01836	0.3
121.02852	0.4
123.04417	0.8
126.02956	0.2
127.03892	4.5
129.01863	0.2
135.62305	0.2
137.02335	0.9
139.03868	0.7
145.04922	1.6
151.03864	0.8
153.01790	6.0
153.05380	0.3
159.02876	1.7
165.01808	2.6
166.02599	0.4
167.03365	2.5
167.07016	0.5
169.01288	2.0
179.03381	1.2
183.02858	0.6
189.05486	0.5
193.04936	0.9
199.03796	0.3
209.07542	0.2
216.04201	0.6
217.04958	1.8
219.02867	0.9
229.05042	0.3
231.04784	0.3
233.04300	0.3
241.04933	0.8
244.03580	1.0
245.04408	2.5
255.02794	0.8
259.05923	1.1
261.03934	0.6
262.04822	0.4
272.03098	0.4
273.03918	2.4
274.04349	0.3
277.07001	0.9
278.24808	0.4
287.05463	1.7
289.03488	1.8
290.04004	1.0
296.25720	0.4
297.26187	0.4
297.58493	0.2
300.02591	0.5
301.03366	3.8
302.04004	0.2
303.05057	0.3
304.05731	0.8
305.06775	0.2
314.23273	0.3
314.26639	0.5
315.04807	0.4
315.23550	0.2
317.06592	0.5
318.03659	6.0
332.24445	0.2
332.27783	1.2
333.05981	100.0
334.06314	2.6
375.07043	0.4
536.34167	0.5
537.34784	0.6
580.32922	1.4
581.33478	1.5
593.38092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.45540	0.6
62.51132	0.7
62.55611	0.6
65.03956	0.6
67.05482	0.8
69.03410	1.2
69.57119	5.7
70.06553	1.8
81.77950	0.6
95.04948	1.0
98.90311	0.6
106.96976	0.5
108.04454	1.3
122.06024	0.9
134.29944	0.7
138.05449	2.3
140.07085	0.8
145.96358	0.6
146.05934	2.9
148.07527	2.5
150.34343	0.6
166.04961	1.4
168.06519	2.7
174.05508	1.4
176.07155	0.7
180.14197	0.7
196.09889	0.6
197.10664	1.1
198.07671	0.8
198.09312	0.7
199.08754	2.9
200.09276	0.8
204.06451	0.7
206.08153	1.2
209.08226	1.0
211.08626	9.2
211.12244	2.0
212.09312	3.3
213.10167	5.6
214.10938	1.2
221.10699	2.2
222.09125	2.3
223.12204	1.0
224.09003	1.1
224.10718	2.5
225.06642	1.1
225.10185	13.1
226.07352	2.2
226.10963	2.7
227.08089	5.3
227.11752	2.5
239.08055	2.2
239.11758	17.9
240.08818	1.1
240.12402	2.4
241.09689	6.2
241.13303	1.8
242.10524	4.1
243.11258	1.1
249.10164	2.4
250.08691	1.7
251.08116	1.7
251.11639	1.0
252.08618	3.9
253.09691	11.3
254.10408	2.4
255.07597	0.9
255.11253	4.5
257.12912	2.0
265.09711	1.1
267.11237	21.4
268.11951	4.5
269.09161	2.1
269.12814	2.4
279.11279	0.8
280.08578	1.1
281.09122	1.8
283.10684	1.9
284.11655	2.0
285.09222	1.0
285.12308	3.4
287.05646	0.8
295.10687	11.2
296.11316	2.0
297.12274	4.9
299.10266	0.9
301.11810	1.3
309.12219	0.8
313.11771	87.7
314.12277	6.0
315.13263	1.2
315.27078	1.0
323.10318	2.4
325.11633	0.7
333.28235	1.0
337.11902	1.3
341.11264	14.2
342.12076	11.1
345.14310	1.1
355.12924	3.0
359.12326	1.3
371.12131	1.0
373.13889	100.0
374.14212	6.8
383.12177	1.9
401.13290	0.9
411.11807	2.1
425.13315	0.8
429.12848	3.7
431.14389	0.8
471.14188	1.5
489.14944	1.9
503.16431	2.9
513.14789	1.0
521.17480	6.9
531.16003	3.2
537.34418	1.2
549.17065	29.3
550.17615	1.0
563.18579	1.9
581.19629	30.4
581.32806	3.8
582.20117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05495	1.3
57.03430	6.4
57.84552	0.7
59.04973	1.1
59.45850	0.8
60.04504	2.8
65.02325	0.7
67.56834	0.8
69.03424	6.0
69.07068	1.1
70.06568	1.4
70.10606	3.4
71.04981	36.6
73.02913	1.5
75.04462	3.6
81.03387	2.1
81.07043	1.4
83.04970	4.0
85.02891	52.8
86.09687	3.5
87.04461	1.7
88.93520	0.9
93.07027	1.4
93.68611	0.7
95.04935	1.0
95.08575	1.3
97.02873	3.0
99.04414	1.9
105.07009	0.9
107.08591	1.0
109.10150	1.3
111.04424	2.5
121.06508	1.0
125.00000	1.6
127.03898	2.7
129.05463	19.4
145.04897	1.2
146.08107	2.5
147.06499	7.7
164.09190	4.6
165.06992	2.6
167.08557	2.1
169.10107	0.9
171.29434	0.9
178.07808	0.8
179.08437	1.4
182.07249	1.6
184.07291	10.5
195.08035	1.4
196.08757	1.6
197.09602	9.0
209.09604	1.4
210.06789	1.9
210.10347	0.8
211.07503	2.7
211.11148	0.8
212.28899	0.7
214.09871	0.8
223.11041	1.1
224.08269	2.5
225.09103	13.0
226.09885	9.6
227.06941	1.9
229.12230	1.3
239.10654	2.9
241.08670	1.5
242.09352	6.6
251.10661	1.0
253.12163	1.0
256.10986	1.2
257.11679	100.0
258.12106	1.4
267.10272	1.5
269.11682	4.7
279.10083	1.3
281.11743	5.5
293.11865	1.3
299.12814	3.1
316.28186	1.3
323.12775	6.2
334.29425	1.4
347.12805	1.0
349.14240	1.1
365.13794	1.1
367.15430	1.9
383.14590	1.0
584.51837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.6
66.37273	0.9
67.05489	4.3
69.03434	1.3
69.07056	1.1
70.72729	0.9
71.68336	0.9
71.68767	0.9
79.05489	2.8
81.03396	3.6
81.07033	2.6
83.08609	1.1
91.05465	1.6
93.07028	2.4
95.08579	1.4
102.59354	0.9
103.80859	0.8
105.07011	2.4
107.04938	2.1
107.08567	2.0
109.06496	1.0
109.10172	1.1
117.07025	0.8
117.56485	0.8
119.08582	1.8
120.05929	0.8
121.10134	2.2
123.04424	1.3
127.03925	0.8
131.08539	1.0
133.10089	1.4
135.11673	1.0
137.06007	0.8
143.08624	1.0
147.07950	0.9
157.10092	1.3
171.08012	1.0
185.06049	1.0
193.12169	1.1
193.23523	0.8
196.05276	1.7
197.05894	1.6
210.06728	1.1
211.07445	1.8
212.08290	1.6
213.05446	2.8
223.03862	1.9
225.05420	2.0
226.06192	2.6
228.07802	6.0
237.05324	1.2
239.07040	2.5
240.07774	12.6
241.04860	5.1
241.08473	5.6
242.05750	2.8
251.03232	1.7
252.04137	50.3
253.04874	8.5
253.08594	2.1
254.02084	1.4
255.10130	9.2
256.07269	16.6
257.08078	4.1
267.06476	100.0
268.07224	10.8
269.04453	4.6
269.07877	2.7
271.09586	8.4
277.87756	0.9
283.09601	43.0
284.06711	4.9
284.10324	6.5
285.07468	6.7
299.09091	100.0
300.09738	8.6
309.90616	0.9
389.92697	1.1
421.25806	1.2
583.19537	14.8
583.29535	1.4
583.40155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24213	2.6
52.39079	2.7
53.03940	3.9
55.01873	5.8
55.05507	23.7
57.03424	10.2
57.07051	6.3
67.05145	3.2
67.05495	56.9
68.38315	2.8
69.07056	22.3
71.04990	4.1
73.22366	2.6
77.58279	2.8
79.05480	51.3
79.64719	2.4
79.82156	2.6
81.03388	5.0
81.07041	58.9
83.04965	6.7
83.08611	15.5
85.06514	3.8
91.05462	68.9
93.07024	51.1
95.04948	12.7
95.08601	44.1
97.06516	5.9
97.10150	4.3
98.20654	6.0
98.21336	12.8
102.29752	2.7
104.64365	3.0
105.06329	5.7
105.07005	65.0
107.04943	24.9
107.08578	27.3
109.06516	6.3
109.10135	17.8
110.91648	2.7
115.05453	7.1
117.07002	28.8
119.04889	2.9
119.08565	43.0
121.06479	8.5
121.10114	20.4
123.08024	3.5
123.11758	3.7
125.53388	2.8
128.06215	8.8
129.06967	23.3
130.07686	4.2
131.08551	44.1
133.06482	7.5
133.10109	25.3
135.08044	8.5
135.11671	10.7
137.09628	3.9
141.06911	14.6
142.07803	7.5
143.08514	26.6
145.06458	3.9
145.10095	46.9
147.07942	3.3
147.11646	17.7
149.09592	4.3
149.13235	6.4
153.06985	3.7
155.08502	22.5
157.10117	30.6
159.11662	19.3
161.13199	10.9
165.06920	3.3
167.08559	15.6
168.09227	3.0
169.10074	25.8
171.11652	24.9
173.09644	3.6
173.13283	16.8
175.14766	7.6
179.08510	7.8
181.10074	20.0
182.10788	4.4
183.11647	19.3
185.09523	3.2
185.13248	15.2
187.14796	8.8
189.16422	3.6
191.08621	3.9
193.10133	11.7
195.11592	17.5
196.12212	2.7
197.13185	15.7
199.14816	7.7
201.16441	4.8
203.14375	6.0
207.11638	9.5
209.13229	16.4
211.14825	11.9
213.12813	4.2
214.13927	2.6
215.14291	3.5
219.11536	3.1
221.13300	5.8
223.14835	6.8
225.12704	3.5
225.16479	3.2
231.13931	3.6
233.13239	4.4
233.15286	17.9
235.14734	6.9
235.16835	3.8
237.16357	7.4
239.17870	7.3
241.19466	7.9
247.16902	3.7
251.17891	4.4
257.18964	8.4
259.20547	11.1
261.22137	3.8
263.17944	5.4
267.06491	2.9
275.20126	4.1
305.17404	9.2
307.19077	11.0
375.22415	3.0
455.33096	4.4
463.35544	8.2
473.33990	26.1
491.35126	31.9
503.62967	2.9
507.38983	3.1
509.36411	17.0
527.36871	5.0
529.36456	3.6
547.37982	5.4
555.40131	12.3
565.38818	100.0
575.21198	3.5
583.30634	5.2
583.39893	76.4
592.75793	3.1
608.68707	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.05499	6.0
57.07057	5.6
59.04998	1.8
60.91617	1.2
63.87889	1.2
65.03918	2.2
67.05498	16.3
67.22246	1.1
69.03416	6.6
69.07058	9.0
69.34064	4.8
69.34485	10.1
77.37886	1.2
79.05469	10.9
81.07040	17.6
83.04967	3.3
83.08605	4.3
85.06504	2.5
91.05463	20.9
93.06438	1.8
93.07026	30.9
93.07586	2.5
95.04943	8.9
95.08590	29.1
97.06498	2.0
103.05451	2.3
105.04527	1.6
105.07012	40.5
107.08575	21.6
109.06492	6.0
109.10134	10.4
115.05470	1.9
117.07000	7.3
119.08557	33.5
121.06509	3.8
121.10116	23.6
122.07280	1.9
123.08050	17.5
123.11642	2.0
125.05958	1.3
128.06224	4.5
129.06992	6.5
130.07726	2.0
131.08537	13.5
133.06453	2.5
133.10109	20.0
135.07993	8.0
135.11668	4.6
137.09587	10.4
140.19685	1.3
141.06976	4.2
142.07755	10.5
143.08536	18.8
144.09317	3.4
145.10098	26.4
147.08026	21.6
147.11702	5.7
149.09578	3.9
149.13315	1.2
151.07509	28.8
153.07004	2.0
155.08546	8.5
156.09325	9.4
157.10103	32.4
158.10788	3.4
159.08035	2.6
159.11679	16.9
161.09602	5.0
161.13271	5.0
163.11150	3.7
165.06953	3.5
165.09088	43.4
166.07692	1.5
167.08583	5.1
167.10657	1.9
168.09317	2.8
169.10115	13.2
170.10857	5.2
171.11671	17.4
173.09642	2.8
173.13214	10.4
175.11133	2.6
175.14798	3.2
177.09187	2.9
179.08516	5.4
180.09282	2.9
181.10045	6.2
181.12314	2.5
182.10918	6.3
183.11647	14.1
184.12534	1.8
185.09647	2.4
185.13232	14.5
187.11104	2.3
187.14751	3.2
189.12749	6.2
191.08748	1.3
191.14314	2.7
193.10121	9.3
194.10884	4.9
195.11659	9.6
196.12476	2.4
197.13199	13.5
198.14085	2.5
199.11261	1.4
199.14850	6.0
203.14249	18.5
205.10095	2.4
206.10931	2.8
207.11694	7.8
207.13792	10.6
207.69458	1.3
208.12479	3.8
209.10068	1.5
209.13223	14.7
210.14014	2.6
211.14795	6.6
212.15567	1.6
213.16365	3.0
215.14262	2.3
217.10017	1.2
219.11719	3.4
220.12506	2.9
221.13278	6.3
221.15314	64.2
222.13943	1.7
223.14702	7.9
225.16409	4.1
227.14345	1.7
229.15916	1.4
231.11678	1.6
231.13771	1.6
231.17534	2.2
232.12465	1.9
233.13202	4.8
233.15379	2.9
234.14023	3.2
235.14833	7.7
235.16953	1.8
236.15407	1.9
237.16275	5.0
239.14249	1.3
239.17883	2.9
245.13298	3.5
246.14011	1.9
247.14781	3.4
247.16965	1.5
248.15488	3.2
249.16414	6.1
250.16966	1.2
251.17793	2.9
257.18921	2.4
259.14828	3.9
261.16370	3.8
263.17990	3.7
265.19446	5.8
269.18979	3.6
271.20572	3.5
273.16241	1.9
275.17804	2.8
277.19531	3.9
279.21124	3.9
281.18927	2.2
283.20569	5.3
286.19467	2.3
287.20215	2.7
293.18930	1.4
295.20602	2.6
297.22064	5.1
333.22366	1.6
347.23639	2.2
349.25107	2.4
352.23953	2.7
357.25827	3.3
365.24652	4.0
375.26721	6.1
385.29004	1.5
403.29810	11.2
491.35464	2.2
503.35046	6.5
509.34052	2.7
547.39282	3.7
561.89886	1.4
565.40448	32.5
566.40723	2.0
583.41351	100.0
584.41602	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.2
53.67609	2.3
55.05500	16.7
57.07065	15.3
59.04994	4.4
65.03932	4.7
65.51464	2.1
65.77178	2.2
67.05499	30.5
69.03417	8.8
69.07056	22.8
69.99464	12.7
74.82707	2.2
79.05489	32.6
81.03422	2.9
81.07040	43.4
83.04973	10.1
83.08613	12.8
85.06538	7.3
87.04455	3.1
89.06017	3.8
91.05462	59.9
93.06437	3.9
93.07030	74.4
95.04943	17.0
95.08589	41.5
97.06522	5.3
98.20728	3.2
98.21317	4.8
101.62683	2.6
103.05479	5.2
104.46887	2.7
105.04533	3.1
105.07018	89.0
107.08578	57.8
109.06501	14.7
109.10141	26.7
111.08085	4.7
115.05444	7.9
116.06203	3.4
117.07001	21.5
119.08566	100.0
119.09413	5.4
121.06498	6.2
121.10127	62.4
123.08040	17.1
123.11687	6.2
125.05987	2.5
125.09590	3.8
128.06216	14.8
129.06990	18.4
130.07751	6.9
131.08559	39.0
133.06503	2.5
133.08597	3.6
133.10118	45.9
135.08049	17.0
135.11642	15.9
137.09639	10.9
139.11140	4.1
141.07034	12.9
142.07765	32.2
143.08554	50.2
144.09306	8.8
145.10110	61.6
147.08046	16.2
147.11667	18.4
149.09567	6.7
149.13252	5.1
151.07489	13.4
151.11269	2.6
153.06967	4.2
154.07765	5.9
155.08542	25.2
156.09343	26.4
157.10110	61.8
158.10910	12.4
159.08041	5.6
159.11668	32.5
161.09579	7.3
161.13261	9.6
163.11185	7.0
163.14996	2.8
165.07031	8.4
165.09103	31.7
167.08565	13.5
167.10640	18.1
168.09325	10.5
169.10133	35.8
170.10883	12.2
171.11670	36.7
172.12424	3.6
173.09584	5.0
173.13229	28.0
175.11179	3.6
175.14854	11.5
179.08562	19.3
180.09276	9.3
181.10092	18.7
181.12209	7.4
182.10942	13.0
182.12541	2.7
183.08080	2.9
183.11674	42.4
184.12387	5.8
185.09630	2.7
185.13251	22.7
187.11203	3.6
187.14803	6.1
189.12741	6.7
191.08536	3.2
191.14326	12.2
192.09273	5.2
193.10089	19.2
194.10841	15.0
195.11665	31.1
196.12469	8.2
197.13206	21.5
199.14819	25.0
201.12875	3.2
201.16397	4.5
203.14265	11.7
204.09459	3.4
205.10097	4.0
206.10884	10.9
207.11693	22.6
207.13777	6.6
208.12463	7.6
209.13219	33.4
209.15181	3.8
210.13914	4.7
211.11285	2.9
211.14780	14.9
213.12738	3.8
213.16444	6.5
215.14348	3.7
217.10069	6.7
217.15816	17.6
218.10837	4.5
219.11707	9.3
220.12538	6.7
221.13260	18.5
221.15401	52.6
222.13998	5.8
223.14775	15.8
224.15576	2.8
225.16353	8.5
227.14365	4.2
229.10146	4.5
231.11740	9.7
232.12418	4.2
233.13252	14.7
233.15202	3.9
234.13980	5.7
235.14867	11.5
236.15585	3.8
237.16292	10.4
239.18053	3.8
243.11731	2.9
244.12526	5.3
245.13231	10.3
246.14017	5.7
247.14755	13.7
247.16995	2.7
249.16367	12.4
250.17050	3.3
251.17941	6.0
252.49249	2.5
257.13202	2.8
257.18991	8.9
258.14050	5.9
259.14828	8.0
260.15674	8.3
261.16339	12.4
262.17239	3.1
263.17905	8.3
265.19498	8.6
269.19022	5.6
271.14850	4.4
273.16354	5.7
274.17075	3.6
275.17807	15.9
276.52643	2.4
277.15652	3.0
277.19345	3.7
279.21072	2.7
281.19092	4.0
283.20493	21.1
287.17786	5.4
289.19510	6.6
291.17776	3.1
291.21088	5.5
293.18970	3.2
293.25995	2.5
300.21024	3.2
301.19156	4.8
303.20920	2.7
307.20847	3.0
312.20670	2.7
317.22757	3.0
319.20612	2.8
331.24194	6.7
333.22052	2.9
349.25247	10.8
375.26715	5.6
392.13626	2.5
403.29953	3.4
427.30026	3.1
491.34720	4.5
503.34952	3.1
547.39398	3.8
565.40216	17.0
583.41394	84.9
584.41779	6.4
597.72870	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.05504	15.4
57.07058	8.4
59.04986	3.7
65.03925	5.3
67.05501	25.0
69.03423	5.7
69.07063	25.0
71.04977	2.3
79.05475	24.0
81.07042	32.9
83.04975	10.0
83.08604	8.8
85.06545	7.4
91.05464	43.9
93.07031	54.5
95.00941	1.9
95.04953	14.6
95.08582	35.5
97.06526	5.6
98.21481	4.0
103.05461	4.2
105.07013	67.3
106.07785	2.6
107.08581	44.9
109.06539	10.0
109.10143	23.2
115.05451	6.7
116.06280	2.3
117.07024	16.3
117.29100	2.1
119.08562	73.3
121.06493	4.7
121.09256	3.5
121.10127	57.1
121.10974	3.5
123.08057	18.4
123.11707	4.9
125.09612	4.7
128.06212	11.3
129.07022	15.2
130.07773	6.5
131.08551	28.4
133.06467	3.9
133.10104	44.0
135.08034	10.7
135.11702	15.2
137.09595	10.1
139.11153	3.9
141.06975	7.5
142.07777	24.3
143.08553	39.1
144.09341	6.7
145.10101	51.6
147.08005	12.6
147.11670	15.5
149.09601	10.8
149.13229	2.8
151.07533	14.5
153.07040	6.2
154.07710	3.8
155.08539	17.9
156.09319	16.9
157.10117	49.8
158.10875	7.1
159.08032	6.2
159.11676	28.2
161.09605	8.0
161.13258	8.9
163.11185	5.6
165.06961	5.5
165.09094	15.1
167.08553	11.3
167.10645	31.1
168.09308	8.7
169.10109	29.2
170.10925	10.3
171.11656	31.0
172.12500	2.5
173.09663	5.3
173.13213	26.5
175.11244	3.6
175.14789	11.2
179.08524	12.8
180.09317	6.2
181.10059	18.8
181.12236	5.7
182.10876	11.7
183.11635	27.3
184.12492	4.7
185.09636	3.8
185.13211	15.5
187.11172	3.4
187.14842	9.0
189.12708	7.6
191.08603	3.0
191.14337	5.9
192.09291	5.4
193.10089	14.3
194.10957	10.8
195.11653	23.7
196.12442	8.4
197.13226	21.9
199.14827	14.0
201.12756	2.7
201.16434	4.0
203.14337	7.3
205.10164	3.7
205.15909	2.7
206.10896	6.4
207.11696	17.5
207.13829	10.1
208.12430	6.4
209.09846	2.1
209.13248	25.9
210.14063	3.8
211.14777	13.3
213.12730	3.6
213.16359	3.2
215.14249	2.5
217.15877	6.2
218.10847	4.0
219.11604	11.3
220.12454	6.2
221.13242	16.2
221.15382	24.6
222.13968	5.0
223.14729	10.5
225.16438	7.0
227.14261	2.9
231.11716	5.8
231.17389	4.5
232.12328	4.0
233.13188	9.5
233.15378	11.0
234.14061	4.0
235.14751	13.2
236.15514	3.9
237.16383	7.3
239.17911	4.5
244.12547	3.1
245.13232	8.8
246.14061	6.8
247.14825	9.4
248.15677	4.0
249.16350	9.6
250.17044	2.6
251.18031	5.2
255.17546	3.1
257.13351	4.4
257.19009	4.6
258.13998	3.4
259.14841	8.5
260.15613	4.6
261.16391	6.9
263.17734	4.4
265.19547	7.4
269.18991	6.3
271.38095	2.4
273.16275	5.0
274.17081	3.2
275.17984	7.3
277.19568	2.9
279.20990	2.4
281.19177	3.1
283.20468	11.7
287.17618	2.8
287.20398	2.3
289.19360	4.9
295.20468	4.8
301.19165	4.2
303.20969	2.5
307.20587	3.8
349.25311	7.0
355.24164	2.4
357.25937	3.1
375.26764	3.6
403.29977	7.9
473.33749	2.3
509.34070	4.1
547.39288	5.1
565.40338	24.2
583.41370	100.0
584.41718	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
53.03939	4.1
55.05497	15.5
57.07065	11.7
59.04998	3.6
65.03919	3.6
67.05495	28.0
67.59068	1.3
69.03422	6.9
69.07053	18.9
69.49290	14.7
77.03928	1.5
79.05482	25.6
81.03403	1.4
81.07044	38.5
83.04986	7.7
83.08614	9.0
85.06528	7.1
91.05464	47.3
93.07030	59.7
95.04958	14.2
95.08597	34.2
95.31257	1.5
97.06506	4.4
98.21516	3.0
103.05468	5.2
105.07014	81.6
107.08579	53.6
109.06509	11.2
109.10146	25.5
111.08072	3.9
115.05447	5.1
116.06264	2.6
117.07004	19.6
119.08562	88.1
121.06490	6.4
121.10130	47.9
121.10854	0.8
122.07263	1.6
123.08045	22.8
123.11712	5.4
125.05964	4.0
125.09593	2.7
128.06183	14.7
129.06999	16.9
130.07777	7.2
131.08543	33.0
133.06496	4.2
133.10110	46.6
135.08049	12.3
135.11678	13.5
137.09579	12.6
139.11182	3.0
141.06981	9.4
142.07770	23.2
142.19446	1.4
143.08542	46.7
144.09335	5.8
145.06444	2.6
145.10107	50.0
147.08028	17.7
147.11641	18.0
149.09596	6.7
149.13235	4.5
151.07523	20.3
151.11165	1.9
153.07011	6.0
154.07732	2.9
155.08540	20.3
155.10626	1.6
156.09311	24.0
157.10112	62.6
158.10919	8.3
159.08066	5.7
159.11662	28.0
161.09576	7.3
161.13252	8.6
163.11188	8.8
165.07011	7.7
165.09087	42.2
166.07782	3.7
167.08534	13.0
167.10637	11.5
168.09296	10.2
169.10107	29.1
170.10896	12.2
171.11665	33.2
172.12314	1.9
173.09618	4.6
173.13228	24.8
175.11142	6.7
175.14781	8.3
175.18228	1.5
177.12852	1.5
178.07813	2.7
179.08498	15.6
180.09286	7.9
181.10118	21.1
181.12213	6.2
182.10875	10.4
183.11667	29.5
184.12422	5.8
185.13235	20.6
186.14139	1.8
187.11166	5.2
187.14830	8.8
189.12724	6.5
191.08617	2.7
191.14264	9.0
192.09271	7.4
193.10109	18.4
194.10909	13.5
195.09895	1.4
195.11649	27.4
196.12433	7.7
197.13229	25.1
199.11134	2.8
199.14801	18.3
201.12851	1.9
201.16397	3.4
203.08533	2.6
203.14294	17.3
204.09341	2.1
205.10152	5.8
205.15732	2.0
206.10861	9.9
207.11693	21.6
207.13812	11.8
208.12465	8.8
209.13225	31.3
209.15218	2.5
210.14018	4.1
211.11227	1.9
211.14792	13.0
212.15573	2.3
213.12782	2.1
213.16391	6.6
215.14337	2.5
216.09337	2.2
217.10118	3.4
217.15875	10.2
218.10938	3.8
219.11659	8.8
219.17380	1.9
220.12459	7.2
221.13271	15.7
221.15378	75.2
222.14032	6.0
223.11308	1.5
223.14726	18.3
224.15636	2.6
225.12653	2.5
225.16290	7.2
227.14333	2.9
227.17856	1.6
229.10156	2.5
230.10907	3.6
231.11700	7.9
231.13705	1.7
231.17409	4.3
232.12482	4.7
233.13228	12.5
233.15407	6.2
234.14066	5.7
235.14760	14.1
235.16956	2.6
236.15549	2.9
237.16293	8.7
238.16917	1.6
239.14366	2.0
239.17969	4.2
243.11714	4.4
244.12498	2.1
245.13248	9.9
246.14000	5.9
247.14796	10.2
247.16994	4.6
248.15556	4.9
249.16420	11.3
250.17174	3.0
251.14255	1.8
251.17975	7.0
253.15863	3.5
253.19540	1.9
256.12531	1.6
257.13226	4.0
257.19019	6.4
258.14038	2.0
259.14816	5.3
260.15601	6.4
261.16342	11.7
262.17056	3.6
263.18008	7.2
265.16104	1.3
265.19528	8.5
267.17593	1.8
269.18976	2.8
271.14789	3.1
271.20502	3.7
272.15616	2.0
273.16312	3.6
274.17245	2.9
275.17889	11.9
277.19476	4.7
279.17532	1.7
279.20963	3.4
281.18979	2.9
283.20535	15.9
284.15707	1.9
285.16275	2.3
287.17514	2.6
287.20230	3.2
288.18668	2.4
289.19626	5.0
291.21075	3.6
295.20657	2.9
297.22037	7.3
301.19159	2.5
303.21008	1.9
307.20496	2.9
309.22009	2.3
312.20889	2.0
317.22751	2.6
329.22263	1.7
331.24207	5.0
333.22208	2.0
343.24292	2.1
349.25098	8.6
351.23080	2.3
352.24271	2.7
357.25903	3.2
365.24741	2.3
373.25583	2.3
375.26819	8.0
379.25287	1.9
403.30090	10.2
491.35480	4.0
503.35068	5.9
509.34030	2.4
547.39294	5.0
565.40442	25.8
583.41376	100.0
584.41473	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	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.4
53.04151	2.0
55.05500	15.7
57.07061	11.7
59.04990	5.0
65.03918	7.5
67.05489	28.8
69.03416	8.5
69.07059	19.7
70.82025	3.2
70.82381	4.9
79.05478	30.3
81.06599	3.8
81.07041	41.5
83.04960	6.0
83.08600	9.1
85.06547	9.0
85.10156	2.2
91.05460	54.5
93.07025	70.1
95.04942	15.2
95.08585	37.6
97.06522	3.5
97.10192	2.6
98.65523	2.1
103.05456	4.6
105.07007	87.5
107.08571	53.4
108.66624	2.1
109.06504	14.7
109.10136	22.7
111.08070	4.5
115.05425	7.0
116.06236	3.0
117.06999	22.9
119.08557	100.0
121.06444	6.1
121.10118	51.7
123.08028	22.9
123.11688	7.9
125.05982	3.9
125.09618	2.2
128.06181	18.5
129.06995	21.5
130.07753	11.5
131.08549	43.0
133.06476	4.4
133.10100	42.1
135.08052	13.1
135.11665	16.3
137.09596	15.0
139.11172	3.8
141.06963	12.3
142.07748	30.6
142.48630	1.9
143.08534	47.9
144.09302	7.7
145.10094	56.5
147.08009	21.0
147.11662	20.4
149.09654	7.2
149.13182	2.4
151.07516	17.2
152.06154	2.8
153.07007	6.1
153.09029	2.5
154.07729	4.8
155.08507	28.2
156.09326	24.1
157.10103	60.6
157.29268	2.0
158.10876	10.7
159.08034	3.9
159.11649	29.6
161.09586	7.4
161.13223	9.8
163.11145	10.4
165.06985	7.8
165.09087	35.0
166.07724	2.8
167.08521	14.7
167.10585	15.6
168.09317	11.4
169.10088	37.2
170.10858	11.6
171.11662	37.2
172.12459	4.0
173.09607	3.4
173.13228	26.8
175.11197	3.5
175.14760	10.5
177.12885	2.0
178.07745	4.9
179.08514	22.5
180.09273	11.0
181.10110	19.9
181.12202	4.1
182.10921	12.3
183.11647	34.6
184.12460	9.2
185.09683	2.6
185.13231	21.8
187.11154	2.6
187.14798	6.2
189.12730	6.2
191.08592	4.4
191.10599	2.1
191.14314	9.3
192.09325	7.4
193.10092	19.6
193.86784	1.8
194.10880	15.1
195.11653	29.6
195.13345	2.7
196.12476	9.8
197.13232	27.1
198.13849	2.3
199.11235	2.2
199.14792	22.6
201.12756	3.5
201.16348	3.8
203.08562	3.6
203.14250	17.9
204.09264	2.2
205.10118	7.0
206.10826	9.7
207.11687	27.0
207.13802	8.6
208.12399	10.9
209.13225	32.6
210.14037	4.0
211.11244	3.0
211.14745	12.9
213.12735	3.9
215.14362	3.3
216.09351	2.5
217.10069	6.2
217.15823	11.9
218.10870	4.8
219.11633	9.3
220.12445	7.0
221.13237	18.5
221.15372	61.2
222.13951	4.3
223.14752	20.2
224.15515	4.0
225.16367	9.1
227.14447	3.5
227.17961	2.4
229.10062	3.6
229.15833	1.9
230.10880	3.0
231.11661	7.8
231.17540	3.5
232.12497	5.7
233.13255	12.3
233.15430	4.6
234.14058	4.9
235.14737	14.3
236.15454	2.8
237.16367	8.9
239.14348	2.7
239.18005	4.3
243.11687	5.0
243.17451	2.9
244.12344	3.7
245.13219	10.3
246.13968	6.9
247.14833	9.1
247.17021	3.9
248.15468	4.5
249.16360	12.1
250.16862	2.4
251.17963	4.5
252.15826	2.1
253.15956	2.7
255.17464	2.5
257.13324	3.1
257.18982	7.8
258.13892	2.4
259.14746	8.0
260.15585	6.1
261.16440	11.4
263.17947	8.0
265.19498	7.8
269.19086	4.0
271.14621	3.5
271.20328	2.4
272.15604	2.9
273.16422	7.9
275.17880	15.8
277.16327	1.8
277.19519	6.8
281.18738	3.0
283.20444	16.8
287.17615	3.5
287.20392	3.8
289.19482	3.9
291.17599	2.3
291.20895	2.4
293.19116	3.1
295.20587	4.2
297.22260	4.7
301.19250	3.2
307.20575	3.8
309.22235	2.9
313.19415	2.6
315.21173	2.7
331.24347	5.7
333.22208	3.2
347.23798	2.5
349.25180	9.7
357.25653	4.0
361.25272	4.3
375.26852	7.4
403.30188	5.2
437.30124	2.6
491.34702	3.9
503.35083	6.3
509.34012	2.8
547.39294	3.7
565.40302	25.6
583.41321	89.5
584.41656	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.7
55.05504	7.5
55.61943	0.9
57.07070	6.2
65.03927	1.5
67.05498	14.0
67.11910	1.2
68.53901	1.2
69.03409	4.3
69.07062	6.5
69.54220	1.1
79.05466	14.4
81.03455	1.3
81.07046	14.7
83.04956	2.8
83.08596	5.1
85.06521	1.9
87.69436	1.0
91.05453	20.6
93.07032	33.6
95.04937	5.9
95.08590	25.1
97.06516	2.3
103.05453	2.4
105.07011	34.4
107.04933	10.1
107.08575	17.0
109.06481	3.4
109.10143	8.4
117.06993	7.4
119.08556	29.0
121.06475	3.8
121.10121	20.0
123.08048	14.4
123.11689	2.0
125.06007	1.3
128.06221	4.1
129.07011	7.3
130.07765	2.1
131.08546	12.9
133.06483	3.3
133.10089	15.9
135.08029	7.1
135.11661	4.8
137.09573	10.5
141.06940	2.7
142.07744	9.8
143.08539	15.3
144.09322	3.3
145.10109	18.9
147.08011	17.6
147.11665	5.7
149.09584	3.0
149.13297	2.0
151.07513	19.0
153.06993	1.9
155.08498	7.5
156.09360	6.8
157.10100	27.2
158.10831	1.9
159.08022	1.6
159.11649	13.7
161.09615	4.1
161.13234	6.3
163.11182	4.0
165.07014	2.6
165.07576	1.6
165.09085	32.1
167.08589	3.9
167.10733	2.0
168.09320	2.9
169.10080	10.3
170.10858	4.2
171.11671	15.4
172.12392	1.6
173.09558	1.6
173.13231	9.5
175.11028	1.4
175.14835	3.4
179.08566	5.9
180.09329	2.1
181.10112	7.3
181.12206	1.2
182.10925	4.5
183.11671	10.3
184.12540	2.1
185.13208	11.7
187.11234	2.0
187.14819	3.3
189.12720	5.3
191.14241	2.5
192.09283	1.8
193.10110	5.5
194.10910	3.9
195.11636	10.0
196.12479	3.2
197.13222	13.3
198.14023	1.2
199.14815	3.7
201.12756	1.4
201.16245	1.3
203.14279	16.1
206.10835	2.5
207.11693	7.1
207.13773	8.3
208.12444	3.1
209.13222	11.8
209.15089	1.9
210.14008	3.0
211.14787	5.9
213.16380	4.5
217.15895	1.5
219.11690	3.1
219.17393	2.6
220.12457	2.3
221.13237	6.7
221.15303	63.2
222.14032	2.5
223.14796	6.9
224.07635	1.1
224.15561	1.6
225.12785	1.5
225.16321	3.9
231.11671	2.3
231.17461	3.1
232.12373	2.6
233.13231	3.5
233.15382	1.9
234.13927	1.8
235.14838	3.7
237.16402	3.6
239.17906	3.5
241.15843	1.2
245.13251	3.4
246.13930	1.5
247.14804	3.4
247.17020	1.7
249.16385	4.3
253.19576	3.2
257.13168	1.6
257.19049	2.2
259.14847	3.1
260.15561	1.6
261.16296	1.7
262.17139	1.7
263.17941	3.5
265.19507	2.6
269.18802	1.3
271.20566	2.8
273.16379	2.6
274.16992	1.2
275.17862	2.5
277.19559	3.1
279.21039	3.1
281.18933	1.4
283.20593	4.3
286.19360	1.7
287.20084	3.4
289.19275	1.6
291.21133	2.3
295.20575	2.2
297.22089	4.6
299.20297	1.5
301.19391	1.9
305.17526	4.0
307.20636	2.3
309.22357	1.4
315.20782	1.6
323.18594	1.6
331.24246	1.4
347.23563	1.5
349.25378	2.3
352.23984	2.6
357.25784	2.0
365.24756	3.4
375.26630	7.2
403.29953	10.7
491.34988	1.6
503.35074	7.0
509.34705	2.4
547.38934	2.4
555.40741	1.4
565.40289	30.4
566.40588	1.4
583.41321	100.0
584.41681	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42886	1.9
53.03935	5.8
55.01853	2.1
55.05502	24.3
57.07067	10.7
59.04982	5.1
65.03939	6.0
67.05499	35.4
69.03428	10.1
69.07053	25.5
70.22176	10.2
71.04952	3.1
72.90210	1.9
79.05490	38.1
81.07048	44.8
83.04972	11.4
83.08604	11.8
85.06519	6.8
91.05465	57.3
93.07030	77.4
95.04951	16.7
95.08598	46.1
97.06525	8.9
98.20592	2.4
103.05460	2.9
105.04506	3.9
105.07019	93.0
107.04962	3.3
107.08582	61.8
109.06507	10.7
109.10143	30.4
111.08080	3.1
111.11729	2.6
112.84460	2.3
115.05453	9.1
116.06214	3.7
117.07008	22.9
119.06075	2.5
119.08562	100.0
121.06528	4.6
121.09247	4.8
121.10128	75.3
123.08048	16.0
123.11664	10.5
125.05994	3.8
125.09613	6.8
128.06197	18.7
129.06970	23.6
129.07718	2.4
130.07777	9.4
131.08548	42.2
133.06442	3.0
133.10115	46.6
135.08054	8.9
135.11667	22.8
137.09610	14.7
137.13339	2.6
139.11142	6.7
141.06966	9.3
142.07762	32.0
143.08543	54.4
144.09334	10.7
145.06541	2.8
145.10107	66.0
146.90689	2.6
147.08000	12.2
147.11665	22.2
149.09601	14.0
149.13243	7.0
151.07498	11.2
153.06972	7.5
154.07779	4.0
155.08553	22.9
155.10626	2.9
156.09302	19.6
157.06564	2.8
157.10107	70.9
158.10922	9.8
159.08055	5.1
159.11665	41.3
161.09630	5.2
161.13258	7.4
163.11186	9.4
163.14835	2.2
165.06993	8.5
165.09117	18.2
166.07744	2.6
167.08589	16.1
167.10649	49.0
167.12015	3.5
168.09349	8.6
169.10100	37.5
170.10893	11.9
171.11671	44.5
172.08865	3.0
172.12236	2.6
173.09645	4.2
173.13225	35.9
175.11172	7.4
175.14792	15.0
177.12755	3.1
178.07774	3.6
179.08519	20.8
180.09294	7.2
181.10136	20.5
181.12180	6.1
182.10883	11.5
183.11688	30.2
184.12471	8.7
185.09744	3.2
185.13226	20.4
187.14827	11.1
189.12720	8.8
191.14281	12.3
192.09364	6.5
193.10101	19.8
194.10896	12.9
195.11681	27.1
195.13353	3.3
196.12463	8.1
197.13257	23.5
198.14026	2.8
199.14777	26.8
201.12712	2.7
201.16380	5.9
203.08546	3.1
203.14322	8.5
205.10168	6.7
205.15884	4.6
206.10994	7.1
206.99028	2.4
207.11696	23.2
207.13795	8.3
208.12508	7.8
209.13219	31.8
210.13988	4.7
211.11133	3.7
211.14769	13.4
213.12671	3.2
213.16330	4.1
215.14368	6.0
217.10146	3.4
217.15863	22.0
218.10905	4.1
219.11720	8.8
220.12395	6.0
221.13249	20.1
221.15387	30.8
222.13977	5.2
223.14775	14.3
225.16420	5.2
227.14279	4.3
231.11655	8.6
232.12601	3.6
233.13205	10.7
233.15381	13.1
234.14027	5.8
235.14883	15.3
236.15601	4.6
237.16396	10.6
239.14255	2.7
239.17928	6.5
241.15627	2.2
245.13266	6.0
246.14034	5.0
247.14728	11.6
248.15572	4.7
249.16394	14.1
250.17183	2.5
251.18010	6.3
254.98453	2.2
255.17503	3.0
257.13303	5.2
257.19028	7.4
258.13849	2.8
259.14844	4.1
259.20639	2.6
260.15594	5.3
261.16327	11.1
262.17056	2.7
263.18036	9.5
265.19498	10.2
269.13232	3.8
269.18927	5.8
271.14850	4.4
273.16360	6.2
274.17081	3.9
275.17838	10.6
277.19559	5.9
281.18982	3.4
283.20496	15.8
287.20218	2.9
289.19360	4.7
293.18951	3.9
295.20529	4.4
297.22183	2.9
301.19461	3.6
303.20822	3.2
313.18948	2.6
315.20935	2.9
329.22540	5.0
331.24252	5.7
333.22104	3.3
349.25217	8.2
357.26035	3.0
361.25342	3.0
375.26996	3.6
403.30347	2.3
417.28036	2.5
473.34570	2.2
491.34946	7.8
503.35220	3.2
509.34076	3.8
547.39209	4.8
565.40350	23.0
583.41388	91.3
584.41937	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	584.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84987	1.4
53.03929	6.2
55.01861	2.6
55.05502	8.7
57.03407	5.5
61.02896	3.5
65.03925	2.1
65.67697	1.7
67.05184	2.2
67.05497	26.0
68.05834	2.1
68.70361	1.5
69.03414	19.1
69.07060	10.0
70.06547	1.8
71.04980	4.7
71.05419	2.9
73.02891	4.3
79.05491	22.2
81.03398	22.0
81.07044	30.8
82.32005	1.6
83.04968	3.7
83.08593	5.1
85.02895	46.2
87.00818	20.7
87.37740	1.5
91.05447	17.8
93.07033	48.5
95.04949	6.8
95.08591	41.0
97.02886	19.0
97.10137	3.4
99.04465	9.8
105.01852	36.1
105.07014	17.8
107.04908	3.2
107.08578	51.8
109.02862	21.7
109.06503	2.2
109.10138	21.7
111.04422	7.2
111.08047	6.1
117.01820	2.6
117.07005	4.4
119.08561	16.9
121.06439	2.5
121.10123	26.9
123.04398	2.5
123.08022	1.7
123.11656	8.4
124.99924	1.8
125.05997	3.8
125.09641	3.4
127.03899	45.3
129.06975	2.2
131.08531	6.7
133.06438	1.8
133.10141	8.1
135.08064	2.5
135.11668	47.9
139.07497	22.5
143.08514	3.9
145.04929	16.5
145.10060	8.6
147.11627	6.6
149.13222	21.9
149.63499	1.5
151.07437	1.9
152.11324	1.8
153.09082	30.4
157.10094	3.6
157.72696	1.5
159.02853	5.7
159.11659	4.0
159.32967	1.7
163.14812	3.8
165.09105	2.4
167.06981	1.8
167.10626	3.0
173.09647	1.8
173.13258	2.4
175.11145	3.0
177.09132	1.8
177.12703	1.7
179.10579	3.9
184.07336	2.4
185.97034	1.5
187.11145	3.2
191.10614	10.0
193.12209	5.4
201.12791	2.9
203.10587	1.7
205.12265	15.5
211.13254	2.6
213.03825	5.6
217.12152	5.7
219.13821	11.3
231.04953	18.8
231.13730	8.6
233.15488	2.9
245.15253	9.1
249.05977	9.1
259.16983	1.8
287.19983	7.3
301.21573	100.0
391.22592	3.4
459.17651	2.5
584.31036	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	584.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81073	1.7
50.93103	1.7
52.81105	1.8
53.03932	3.2
55.05489	7.4
57.07058	8.0
59.04992	3.1
67.05499	11.1
69.03389	4.1
69.07044	9.6
69.73453	14.9
71.08642	2.0
79.05470	18.1
81.07044	19.2
83.04945	3.2
83.08595	4.7
85.06496	2.9
89.06006	5.1
91.05460	26.8
93.07029	31.8
95.04961	6.3
95.08599	21.3
97.35483	2.1
103.05433	3.2
105.07009	46.3
107.08587	25.1
109.06490	5.9
109.10150	9.3
115.05373	2.6
117.06990	11.0
119.08564	61.6
120.09319	2.4
121.06500	4.0
121.10125	21.0
123.08046	8.5
125.05917	3.3
128.06221	5.8
129.06967	10.6
130.07762	3.9
131.08545	29.5
132.09357	2.5
133.08575	3.3
133.10095	26.2
135.08038	10.0
135.11626	8.1
137.09579	7.0
139.07463	2.3
141.06944	6.9
142.07741	11.9
143.08525	25.9
144.09302	8.5
145.10091	44.1
147.07994	8.5
147.11647	11.8
149.09572	3.2
149.13159	2.3
151.07507	5.8
151.11212	2.3
153.06863	2.1
155.08549	9.8
156.09308	11.5
157.10104	39.9
158.10884	6.7
159.08023	4.1
159.11658	22.9
161.09578	6.5
161.13205	5.4
163.11156	8.3
165.06938	3.7
165.09091	24.6
167.08490	6.6
168.09326	5.5
169.10107	15.2
170.10889	5.4
171.11687	19.4
172.12344	5.9
173.09557	4.3
173.13287	14.9
175.11153	9.8
175.14778	12.2
177.19533	1.9
179.08493	5.6
180.09286	4.2
181.10118	8.6
181.12178	8.0
182.10840	4.7
183.11674	19.8
184.12465	3.0
185.13194	14.0
187.11038	2.4
187.14755	3.4
189.12682	6.3
189.95540	2.0
190.13481	6.8
191.14244	3.0
193.10109	5.4
193.12141	4.8
194.10803	4.6
195.11653	12.8
195.13261	2.0
196.12456	4.7
197.13158	15.0
198.10405	2.1
198.14001	2.4
199.11125	3.4
199.14767	5.3
201.12524	2.1
201.16309	3.6
203.14293	14.3
206.10803	2.1
207.11633	10.2
207.13766	8.3
208.12607	3.5
208.14525	6.3
209.13219	7.5
210.13904	4.7
211.11205	3.7
211.14766	10.6
213.16379	3.5
215.14191	2.0
217.15732	2.4
219.13724	3.1
221.13249	7.9
221.15295	53.6
222.13853	3.6
223.11172	2.7
223.14711	12.0
225.12640	2.7
225.16426	4.1
233.13106	2.9
233.15285	2.5
234.16118	10.1
235.14751	5.1
237.12601	3.7
237.16273	2.7
239.17967	2.4
241.15875	2.4
246.13919	2.4
247.16803	9.4
248.15373	2.8
249.16376	4.6
251.27524	2.2
253.15851	3.0
255.17336	1.9
259.20514	2.1
263.17905	4.5
265.19620	3.2
267.17258	2.8
271.20554	2.3
274.19257	3.0
279.17590	2.5
281.19098	3.4
285.18677	2.4
286.19290	3.8
299.20007	11.8
309.22006	2.5
312.24197	2.2
325.21643	9.1
332.58557	2.1
335.78201	2.1
337.21484	7.3
352.23904	70.0
363.22647	2.7
365.24631	15.0
383.25363	2.1
391.26260	3.5
397.27255	4.0
398.28125	6.4
404.30661	6.9
412.29590	15.7
425.30832	4.3
438.31152	10.6
489.33658	6.7
491.34982	14.8
492.35428	7.6
504.35898	100.0
505.36047	3.1
566.40607	2.9
584.41766	22.4
584.55920	3.3
585.43304	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	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.2
54.85205	4.3
55.05493	11.5
57.07059	9.4
58.47165	3.8
59.04988	4.4
65.62331	3.9
67.05489	11.6
69.03403	5.5
69.07058	8.5
74.54490	3.9
79.05466	16.4
81.07041	22.1
83.04948	7.2
83.08582	3.4
85.06519	8.2
88.77178	4.1
89.06027	12.3
91.05468	39.6
93.07014	44.6
94.30905	3.6
95.04960	10.1
95.08598	29.4
105.07010	59.7
107.08575	37.5
109.06469	7.7
109.10134	12.9
115.91302	3.8
117.06986	13.2
119.08549	80.3
121.10117	28.5
123.08059	12.2
125.05956	6.8
128.06171	9.6
129.06967	17.7
130.07765	4.4
131.08563	48.7
133.08546	8.3
133.10091	34.6
135.08026	13.6
135.11653	15.1
137.09584	8.8
137.30467	3.8
139.07538	5.0
141.06914	7.4
142.07759	15.3
142.50554	4.0
143.08548	33.9
144.09315	8.6
145.10109	54.5
147.08023	16.8
147.11650	10.2
149.09644	8.7
151.07480	7.0
153.09059	4.4
155.08517	17.9
156.09256	12.3
157.10110	47.8
158.10760	6.7
159.11658	37.9
161.09576	9.6
161.13271	8.4
163.11180	10.5
165.09097	33.1
168.09369	6.2
169.10138	18.5
170.10857	8.6
171.11670	35.3
172.12492	6.8
173.09544	7.7
173.13234	23.0
175.11128	10.7
175.14766	14.5
177.09084	4.3
179.08562	7.6
180.09146	4.7
181.10104	13.5
181.12253	11.2
182.10854	4.8
183.11635	27.7
183.45912	4.1
184.12389	8.0
185.13248	21.2
187.14714	9.3
190.13455	6.9
190.22202	4.7
191.14374	7.0
193.10162	8.2
193.12204	12.7
194.10832	5.2
195.11644	18.9
196.12451	6.5
197.13278	18.5
198.10329	4.2
199.11169	8.3
199.14853	9.0
201.12779	4.8
201.16367	4.8
203.14261	18.7
206.10674	4.3
207.11647	10.4
207.13652	8.8
208.12500	6.7
208.14537	5.4
209.13165	19.3
210.14099	5.8
211.14868	9.8
213.16367	5.3
219.13872	8.7
221.13280	9.0
221.15320	69.8
223.14784	17.1
225.16319	6.5
234.16058	12.2
235.14725	8.1
235.43146	4.1
237.12674	6.7
237.16304	5.5
247.16975	11.3
253.19606	5.2
263.14166	4.5
271.20618	3.8
299.20038	13.6
310.39343	4.3
325.21429	9.0
337.21481	9.2
352.23935	76.7
365.24673	12.2
391.26141	4.5
398.28021	11.8
404.30493	8.5
412.29605	26.5
425.30252	4.3
438.31216	15.3
489.33414	8.4
491.34973	14.8
492.35745	6.3
504.35913	100.0
584.42102	18.5
584.55768	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	585.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37345	3.3
53.03931	9.3
55.01865	7.2
55.05490	15.5
57.03411	5.0
57.07058	6.7
59.04972	7.5
61.02905	7.5
61.25165	3.3
65.03896	5.5
67.05493	57.3
68.99760	11.1
69.03417	48.6
69.07055	26.6
70.06568	7.1
71.04968	15.0
71.70586	4.6
73.02869	5.2
79.05489	33.0
81.03423	26.0
81.07044	100.0
83.04959	17.4
83.08582	11.6
85.02898	32.5
85.06538	8.7
87.00813	13.8
91.05459	26.1
93.07036	66.0
95.04957	45.3
95.08584	80.2
97.02870	16.0
97.06507	17.6
99.04430	11.9
99.08073	3.7
105.01852	8.0
105.07017	46.4
107.04913	11.0
107.08580	60.7
109.02854	27.5
109.06506	22.3
109.10142	81.0
111.04423	5.5
111.08067	8.6
115.03899	3.2
117.07014	8.1
119.08563	46.6
121.06465	12.6
121.10129	48.6
123.04408	6.0
123.08066	21.7
123.11687	41.0
125.05927	4.4
125.09590	8.0
125.66453	3.4
127.03886	32.8
129.01842	6.3
129.06953	7.3
131.08556	17.1
133.10107	30.7
135.08028	22.1
135.11679	27.9
137.05925	6.9
137.09595	26.4
137.13232	4.9
139.07475	4.7
139.11128	16.6
141.09113	4.9
142.07765	3.2
143.08505	12.5
145.04980	7.9
145.06459	3.7
145.10062	26.2
147.07986	11.7
147.11659	24.9
149.05975	4.0
149.09604	12.2
149.13245	9.5
151.11137	13.6
153.09082	4.3
157.10133	17.7
159.07947	5.1
159.11603	18.8
161.09578	13.2
161.13179	11.7
163.07509	14.6
163.11166	11.6
163.14803	4.2
165.09071	14.7
165.12662	6.0
167.10632	5.7
170.28256	3.2
171.11655	9.7
173.09599	7.7
173.13237	18.3
175.11185	7.9
175.14787	14.5
177.12694	7.8
177.16405	7.6
183.11588	4.3
185.09578	5.0
185.13226	7.9
187.14803	8.3
189.12764	5.8
189.16367	5.8
191.10652	6.5
191.14304	16.6
199.14786	17.1
201.16364	12.9
203.14288	5.6
205.15800	5.5
213.03937	7.8
213.12701	3.9
213.16364	6.0
215.07217	3.6
215.14297	5.8
215.17857	5.3
217.15872	9.5
219.17406	6.8
221.15312	3.7
221.19002	3.9
227.14305	7.3
229.15820	12.4
231.17383	4.7
241.19456	3.4
245.15443	16.9
247.16939	20.2
255.20834	3.7
263.16382	7.9
273.22107	6.7
277.21567	6.0
283.20560	8.0
291.23111	6.9
301.21591	30.5
309.24344	6.6
319.22635	69.5
337.23706	22.3
409.23331	4.3
415.26633	5.2
468.31357	4.0
567.28369	4.1
570.09326	3.7
585.28546	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	585.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	1.0
53.03930	4.5
53.27749	1.1
55.01851	3.3
55.05499	7.6
55.62365	0.9
57.03417	2.3
57.07075	2.5
59.04975	1.1
61.02903	4.1
63.00210	0.9
66.82680	0.9
67.05138	1.3
67.05495	25.8
68.99770	3.9
69.03419	19.1
69.07060	16.1
69.39603	10.9
70.06573	1.7
71.04982	14.9
79.05488	11.2
81.03412	22.9
81.07043	69.9
82.07327	1.0
83.04960	4.3
83.08597	4.4
85.02895	12.0
85.06537	2.5
87.00797	4.4
87.04443	2.7
91.05457	10.7
93.07024	23.1
95.04943	11.5
95.08589	32.3
96.86288	0.9
97.02872	9.5
97.06482	3.4
97.10137	2.1
99.04454	5.9
99.08071	2.0
103.05443	1.4
105.01855	1.8
105.07021	19.8
107.04937	3.9
107.08572	29.3
109.02866	14.9
109.06506	6.5
109.10139	61.3
109.13606	0.9
111.04444	2.4
111.08039	2.7
111.11699	1.7
113.05937	0.9
113.09603	2.0
115.03886	3.5
115.05450	1.4
117.07001	4.0
119.08567	18.8
121.06489	8.4
121.10124	19.4
123.04406	1.3
123.08049	3.0
123.11688	100.0
124.12050	1.3
125.09620	7.2
127.03902	14.5
127.07505	2.0
127.11189	6.3
128.06187	1.9
129.01828	5.0
129.06966	2.6
130.07774	1.5
130.29205	1.1
131.08551	11.3
131.82645	1.0
133.04941	2.8
133.06474	1.9
133.10115	17.8
135.08015	7.5
135.11670	11.1
137.05948	1.9
137.09590	17.4
137.13213	6.6
139.11163	9.4
141.12723	2.0
142.07710	1.9
143.08588	5.5
145.04953	1.2
145.06410	2.0
145.10112	13.2
147.08072	5.8
147.11676	9.8
149.09607	11.5
149.13225	3.2
151.03870	1.2
151.07500	1.2
151.11156	16.1
153.09053	1.4
153.12709	4.9
155.08549	2.1
155.10629	1.9
156.09311	2.2
157.10115	8.1
159.02847	1.1
159.08017	3.1
159.11668	8.3
160.08842	2.3
161.09599	22.5
161.13213	3.6
163.03967	1.0
163.07492	3.6
163.11200	5.5
165.07037	1.0
165.09099	12.4
165.12740	2.3
167.08569	1.4
167.10664	4.3
169.10126	2.6
169.12166	5.3
171.08032	2.7
171.11652	7.0
173.09596	6.6
173.13239	11.6
175.11166	11.5
175.14819	2.5
177.05463	2.1
177.09097	10.1
177.12737	1.8
179.10684	5.5
181.12268	2.3
183.11674	1.2
183.13637	1.0
185.09601	1.5
185.13194	2.7
187.05923	1.3
187.11147	2.1
187.13245	1.7
187.14789	9.6
189.09064	1.7
189.12709	4.2
189.16383	1.8
191.10638	3.9
191.14235	2.4
193.04883	1.5
193.12230	1.3
195.10104	1.9
195.13837	1.2
197.13283	4.8
199.11169	3.8
199.14766	5.0
201.12775	1.9
201.16347	3.8
203.10555	1.1
203.14308	2.7
203.17941	2.1
205.12198	1.5
209.13246	2.0
211.14812	4.0
213.03918	6.8
213.12706	4.0
213.16339	4.2
215.14290	8.8
215.17853	1.4
217.12169	2.2
217.16020	1.4
219.13766	2.4
221.15439	1.1
227.10681	1.7
227.14276	2.0
229.15788	1.9
231.05038	2.1
231.17393	8.2
233.15356	3.0
237.14589	1.5
241.12178	1.2
241.15831	1.4
241.19548	3.1
243.10353	1.5
245.11563	1.4
245.15326	2.2
249.18427	2.6
255.20976	4.7
259.20557	2.5
271.20151	1.1
273.22061	11.8
275.12659	6.1
277.21677	5.6
283.20499	12.1
285.11282	1.1
291.23190	5.1
295.22687	2.9
301.21585	46.4
306.24051	1.1
319.22647	39.7
337.23672	8.8
399.25253	1.4
409.23672	1.3
427.24521	1.5
453.28516	1.0
549.26721	1.6
567.27905	4.0
585.19940	1.1
585.28949	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	585.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	9.4
55.05494	22.4
57.07077	14.1
57.13841	8.8
64.99782	7.2
65.48033	8.1
67.05486	34.4
69.07047	36.6
71.70522	11.3
79.05477	37.7
81.07047	44.0
83.08617	16.1
91.05492	50.6
93.07030	90.3
95.04967	18.6
95.08582	37.1
97.06526	18.5
105.07012	100.0
107.08587	47.4
109.06519	9.6
109.10120	38.1
117.07005	15.0
119.08555	90.7
121.10116	66.4
121.56841	8.7
123.11691	15.1
129.06950	20.5
131.08537	31.2
133.10118	53.7
135.11661	23.9
137.09644	9.3
142.07751	14.0
143.08557	26.1
145.10094	68.0
147.11670	44.6
149.09605	12.1
155.08575	11.6
156.09290	13.1
157.10115	58.5
159.11667	34.2
161.13203	12.7
163.11208	18.2
166.07776	9.7
167.10660	35.1
169.10143	27.7
171.11653	18.6
173.13249	21.4
175.14777	16.4
181.10129	9.3
183.11665	14.5
185.13290	18.1
187.14828	11.4
191.14336	9.2
195.11664	13.2
197.13301	27.8
207.11607	11.2
209.13333	9.9
221.15312	14.1
223.14832	11.4
275.20087	11.5
431.30115	9.2
453.16699	9.8
581.82513	8.2
585.44220	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.3
56.42735	5.5
57.07049	11.8
59.83976	5.5
67.05494	46.9
69.03393	8.0
69.07047	25.1
77.06802	5.2
79.05473	27.8
81.03400	8.6
81.07038	47.1
83.04940	6.4
83.08606	16.1
89.05986	7.0
89.62072	7.0
91.05453	46.6
93.07033	83.7
95.04944	21.7
95.08585	54.5
97.10121	6.4
98.80330	6.1
100.85515	6.9
105.07024	75.3
107.08575	72.7
109.06491	10.8
109.10133	47.0
117.06998	17.5
119.08575	100.0
121.10128	61.0
123.08117	6.2
123.11678	16.6
128.06212	13.6
129.06989	16.0
130.07770	5.8
131.08517	40.6
133.10127	68.7
135.08031	14.8
135.11673	56.9
137.09570	9.4
139.11194	7.4
141.07036	9.3
142.07753	11.8
143.08537	28.3
145.10109	65.0
147.07999	9.2
147.09236	7.1
147.11711	29.3
149.09550	9.4
149.13136	6.2
154.29364	6.1
155.08521	15.2
156.09256	10.1
157.10106	55.3
159.08087	7.9
159.11670	44.7
161.09581	8.9
161.13239	12.4
163.14842	6.5
167.08498	7.2
169.10094	24.7
171.11656	42.8
173.09569	9.6
173.13277	28.4
175.11115	6.8
175.14845	46.6
179.08641	9.4
181.10027	10.9
182.10890	7.8
183.11679	20.2
185.13272	18.5
187.14816	23.0
191.14189	7.6
193.15918	7.2
194.10883	6.0
195.11575	12.9
196.12393	7.6
197.13254	18.1
199.14844	12.5
201.16386	12.8
205.15855	5.9
206.10931	6.7
207.11615	7.9
209.13217	11.2
211.14825	14.7
213.12752	6.4
215.14320	7.8
221.13322	8.5
223.14767	9.7
231.17429	7.0
235.14847	9.0
239.14262	7.6
239.17876	8.8
249.16342	7.4
265.19482	7.8
267.21002	11.3
283.20615	8.0
285.21976	8.8
334.42282	6.5
349.25351	7.7
567.41687	26.1
585.21179	9.5
585.43488	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.9
55.05509	1.5
57.03422	0.8
60.92813	0.8
61.02894	1.0
67.05499	19.9
69.03403	2.7
69.07050	1.2
69.44280	0.8
69.44473	1.1
69.44805	6.7
70.06580	1.6
71.04978	3.8
79.05484	1.5
80.30635	0.7
81.03403	2.7
81.07050	11.8
85.02899	5.6
91.05466	2.3
93.07031	3.8
95.04958	3.0
95.08603	8.4
97.02885	8.3
99.04446	2.2
99.08094	1.2
107.08572	1.9
109.02844	1.5
109.06495	2.2
109.10144	54.9
109.91084	0.7
110.10477	1.0
111.00798	6.5
113.81946	0.8
115.03907	1.4
117.11581	0.7
119.08549	4.0
121.10107	1.3
125.05953	1.4
127.03873	2.7
129.01839	1.9
133.04924	0.7
137.09598	100.0
138.09937	1.2
143.03374	2.3
145.04958	1.6
147.08078	1.3
149.10712	1.4
155.10664	6.8
161.04430	1.3
165.09102	55.1
171.02841	9.4
180.08575	1.1
183.10132	4.9
184.36845	0.8
189.03949	1.2
201.11183	14.0
260.49106	0.8
312.84976	0.7
327.14630	0.9
353.12271	25.5
371.13330	71.4
389.14386	21.2
407.11777	1.0
455.73212	0.9
515.17529	2.3
532.16162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54479	0.6
53.17162	0.6
53.66793	0.6
54.34916	0.5
55.01862	0.8
55.05500	1.4
57.03433	0.5
57.07057	0.8
58.04009	0.5
67.05481	1.6
67.34219	0.5
69.07054	1.5
70.02975	0.5
70.29617	2.5
71.08614	0.6
71.40790	0.5
73.02901	0.7
76.69397	0.7
79.05491	1.4
80.05028	0.7
81.03419	0.8
81.07026	2.2
83.08607	0.7
89.06007	0.7
91.05476	2.6
91.62202	0.6
93.07025	1.9
95.04944	1.2
95.08589	1.5
96.04513	0.7
103.05429	0.9
105.07013	5.2
106.06452	0.7
109.02853	0.6
109.10164	0.6
110.06051	0.9
119.08580	1.8
120.04413	0.6
121.06482	0.7
121.10088	0.6
124.03928	0.8
126.05367	0.7
126.61048	0.6
131.08585	1.1
138.05469	1.5
140.03453	1.1
147.11659	1.0
148.03947	1.4
150.05498	1.1
151.07518	8.9
152.03423	1.1
154.05072	0.6
165.09103	11.1
166.04962	6.8
175.07524	2.1
177.09093	2.7
178.04994	1.0
182.04527	0.7
189.09094	1.0
191.10612	1.8
192.06538	1.5
198.77219	0.6
201.09085	1.4
203.10657	1.7
210.07509	1.5
212.08415	0.8
215.10750	1.7
217.08669	1.1
217.12302	1.9
227.10663	2.3
229.12161	1.1
238.07048	31.2
242.11856	0.9
243.10222	3.5
243.12350	0.7
245.11720	0.8
258.11179	0.7
262.25354	0.8
271.09579	0.8
284.12823	1.7
287.11600	1.4
296.12759	0.9
302.13840	0.8
314.13812	0.7
318.13409	2.7
324.15964	1.0
326.14044	0.7
356.14722	1.1
370.12976	0.8
392.28049	1.2
394.29706	1.3
414.30005	2.4
421.28152	7.3
478.33353	0.8
479.33862	0.7
486.49661	0.6
501.34378	5.9
508.34271	1.8
510.35703	5.2
522.35809	0.7
540.36774	53.8
541.37054	1.2
558.37769	4.2
568.36279	2.2
586.37250	100.0
587.37469	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	587.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11594	1.4
56.96551	28.5
56.96817	2.5
57.54232	1.5
57.89421	1.5
59.54679	1.4
66.59335	1.6
69.03452	1.8
70.98099	1.9
71.69211	1.6
71.69572	1.7
73.94739	1.4
84.39945	1.5
84.96011	9.9
85.02879	2.5
97.02904	1.8
97.23358	1.4
98.97561	72.8
102.97061	2.5
110.97532	16.4
110.98170	1.7
112.99101	3.6
116.98596	53.9
119.01900	3.7
124.99065	2.3
127.03870	2.0
128.98576	34.4
131.00182	7.6
132.98073	1.8
133.03459	1.5
134.99620	21.7
140.00182	2.7
140.98587	9.1
143.00156	12.2
143.01872	3.5
144.98041	1.7
145.01643	1.9
146.99625	27.7
147.00725	2.7
147.04410	1.7
149.01247	7.1
150.99109	1.9
152.98567	3.0
153.00717	2.5
157.03441	1.9
158.01335	1.7
158.99628	34.0
161.01213	25.2
161.02914	6.3
162.99115	5.1
163.03926	3.6
164.34424	1.5
165.00713	6.5
170.99602	30.1
172.97646	1.7
173.01218	3.8
173.02911	2.8
174.99164	3.3
177.00674	34.0
179.02246	3.5
182.99593	15.3
184.97527	1.8
185.02917	5.8
186.99153	4.1
189.00684	43.9
189.02116	1.6
189.06081	1.8
190.98564	5.7
191.02325	2.0
193.00175	6.0
193.03822	1.7
195.01785	2.8
201.00681	76.8
202.01091	1.6
202.98642	1.9
203.04019	1.8
205.00185	4.0
207.01703	7.9
208.99666	2.3
210.01080	1.9
212.02187	2.0
213.00583	7.8
214.98682	4.2
217.00102	2.5
219.01715	65.1
219.07312	2.3
224.02283	3.7
230.68573	1.4
230.98105	3.3
231.01749	9.3
232.99641	6.5
235.01160	2.1
237.00586	1.9
237.02762	24.0
240.02037	1.6
242.03308	3.1
243.01721	26.3
245.05043	12.4
247.01201	4.6
247.04846	6.5
248.99155	8.8
251.04263	1.5
261.02777	100.0
262.02954	2.1
263.00668	4.9
263.06076	2.6
265.02264	3.1
265.05743	1.9
267.00131	2.8
270.03320	1.5
271.01425	2.1
272.00769	1.5
272.99966	2.2
273.02811	10.8
279.03812	50.4
281.01883	10.8
284.04370	2.2
289.02081	2.5
291.00232	7.8
291.03842	18.5
302.05478	5.6
303.03891	1.6
304.98569	1.6
305.01822	6.8
305.07117	2.6
307.03244	3.5
309.04932	3.1
319.03366	5.3
321.01422	1.4
321.04849	40.6
321.10443	2.5
322.05005	1.7
323.02795	4.2
331.03311	2.7
333.04834	7.0
335.02704	4.0
349.04294	4.0
349.08047	4.1
351.01947	2.3
351.05853	11.7
365.04092	3.1
375.02432	4.5
381.06998	14.9
393.03403	10.2
399.08047	15.0
407.04968	1.9
409.06619	2.4
413.07339	1.9
413.44528	1.5
427.07553	12.3
455.07169	2.2
457.08673	3.7
469.08624	5.4
471.10376	2.0
493.08566	2.8
497.08139	3.6
505.35208	1.6
511.13760	11.8
512.14587	1.9
539.09552	1.7
555.08557	38.8
587.13708	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	587.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	27.4
57.03424	1.7
61.02895	1.7
69.03412	5.7
70.98096	1.4
71.06935	1.2
71.67844	1.7
74.97590	2.4
81.03405	2.0
84.96014	13.2
85.02886	10.6
88.99105	1.8
93.66032	1.1
97.02859	4.2
98.97562	76.4
101.00884	1.8
110.97545	18.3
116.98601	52.7
119.01881	7.1
121.01625	2.1
123.04398	4.2
124.99115	2.5
127.03912	4.8
128.98586	32.7
131.00150	4.7
131.01851	2.3
133.03427	2.8
134.99629	20.0
135.04378	2.6
139.03868	3.0
140.00177	2.4
140.98557	7.4
142.96655	1.3
143.00107	15.1
143.01913	5.5
144.98064	1.8
145.01697	3.1
145.03552	2.7
145.04953	3.9
146.99625	30.5
149.01192	4.2
152.00214	1.3
152.98605	3.8
153.00645	2.0
155.00009	1.5
155.01869	3.1
157.03435	2.3
158.99620	31.6
159.04987	1.5
161.01208	24.3
161.02899	8.9
162.99124	4.4
163.02681	3.1
163.03864	13.4
164.04356	1.5
165.00650	7.8
169.03542	1.7
170.01230	1.9
170.98267	2.6
170.99637	29.5
171.05046	2.7
172.97542	3.3
173.01221	5.7
173.02939	7.7
174.99142	3.5
175.02693	2.4
177.00690	31.3
177.02245	2.0
179.02206	4.8
182.99643	14.4
184.02859	1.3
184.97629	1.4
185.01320	1.8
185.02963	9.5
185.04424	1.5
186.99113	4.1
187.02672	3.6
187.04398	1.8
189.00684	40.1
189.02443	1.9
190.98598	8.5
191.02307	2.9
191.03908	3.9
193.00209	3.0
193.03722	2.6
195.01758	3.6
195.07120	1.8
197.02972	3.2
200.02246	1.8
201.00684	75.8
203.03995	4.3
205.00111	6.7
207.01703	7.7
210.99153	2.8
212.02370	2.8
213.00694	5.1
214.98604	3.8
215.04012	2.3
217.00229	2.8
219.01741	67.8
219.07202	3.6
221.05148	1.5
223.01181	1.7
224.02248	3.9
227.03915	2.0
229.00162	3.8
229.03680	1.4
230.98187	2.8
231.01700	9.3
232.99701	6.6
237.00693	2.9
237.02771	31.6
237.05006	2.5
242.03374	3.9
243.01729	26.3
243.04149	1.7
245.05025	26.6
247.01340	4.8
247.04953	5.2
248.99153	9.9
249.54280	2.8
251.04347	3.4
255.01666	1.8
257.05020	3.3
258.04764	1.7
258.54843	2.0
258.99521	1.4
261.02768	100.0
262.03195	1.8
262.97894	1.6
263.00610	6.7
263.06085	4.1
265.02219	3.0
265.05972	1.4
267.00217	4.9
268.96198	1.5
272.99362	1.8
273.02695	9.4
275.00742	1.8
275.06091	2.4
279.03848	52.1
280.04120	2.0
281.01718	14.3
281.07126	2.6
286.55484	1.6
291.00226	7.5
291.03839	18.5
297.04712	1.8
299.02911	2.7
302.05261	6.3
303.03809	2.3
304.03290	1.6
304.98566	1.9
305.01767	8.0
305.07108	5.5
307.03397	2.7
309.04892	2.3
319.03323	2.4
321.01651	1.8
321.04901	38.5
321.10275	6.7
323.02798	4.2
331.03232	3.3
333.01251	2.8
333.04926	8.6
334.57187	1.5
335.02701	4.5
337.04425	2.2
339.57388	3.5
349.04453	4.3
351.05939	13.6
361.56223	1.4
365.05310	1.6
365.09589	2.0
375.02213	2.2
381.07092	15.2
393.03223	12.9
395.05969	1.5
399.08081	14.6
407.05582	1.9
413.07455	5.2
425.06778	4.1
427.07462	15.6
437.09256	4.8
441.09000	2.3
455.06955	2.5
469.08578	4.3
493.08527	2.6
497.08124	5.5
499.09833	1.4
511.09396	4.9
527.09088	2.0
539.08917	2.1
555.08533	42.8
556.08948	2.0
569.11487	2.3
587.11932	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	587.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95650	3.4
52.39688	2.7
53.03930	9.2
54.34986	2.7
55.01863	6.8
55.05497	15.8
56.28650	2.8
57.07061	7.5
61.02916	6.8
65.03923	4.7
67.05489	43.0
68.99778	5.0
69.03419	43.6
69.07047	28.9
70.06579	4.5
71.04974	25.3
71.69419	4.7
73.02888	3.9
78.12930	2.9
79.05473	22.3
81.03395	41.1
81.07040	100.0
83.04959	12.0
83.08601	10.8
85.02881	48.5
85.06520	6.4
87.00826	15.5
91.05458	20.6
93.07021	43.8
95.04945	21.7
95.08588	61.6
95.09192	3.6
97.02850	19.0
97.06498	16.7
97.10179	6.6
99.04430	13.9
105.01832	11.4
105.07018	38.6
107.04947	12.0
107.08567	65.8
107.09246	5.0
109.02859	32.7
109.06501	15.0
109.10138	97.0
109.10882	5.8
110.70067	2.8
111.08071	8.9
111.11674	3.4
114.35979	2.7
117.07024	3.8
119.08566	32.9
121.06491	10.7
121.10121	46.1
123.04395	6.2
123.08047	13.4
123.11684	44.8
125.09617	21.0
127.03881	34.8
127.11181	11.6
129.01851	7.7
131.08565	9.6
133.10101	24.5
135.08014	9.2
135.11696	26.5
137.09599	20.1
137.13228	7.8
139.11143	8.4
141.12718	6.6
142.07750	3.1
143.08521	7.0
145.04922	7.9
145.10107	23.0
147.08031	4.9
147.11664	18.5
149.09602	9.6
149.13205	15.9
151.11159	12.9
153.09071	4.1
153.12688	8.0
157.10103	13.0
158.07581	3.2
159.02824	5.5
159.08043	3.5
159.11656	13.7
161.09605	7.2
161.13245	9.1
163.11140	13.1
163.14775	6.5
165.12720	3.8
167.10620	3.2
171.07990	3.0
171.11679	6.0
173.09573	3.3
173.13251	7.2
175.11131	8.5
175.14801	12.3
177.16339	4.7
179.10616	5.8
183.11720	3.3
185.13237	5.6
187.13275	3.1
187.14775	7.1
189.16360	8.9
193.15825	3.6
199.14781	9.6
201.12688	5.5
201.16385	7.1
203.17963	5.5
205.15816	3.0
213.03870	3.8
213.16348	4.4
215.17882	3.7
217.15955	3.8
219.17451	5.7
221.18922	3.8
229.15886	4.5
231.17349	5.9
233.19054	3.3
247.16814	3.6
249.18489	9.7
255.21190	3.1
267.21240	3.8
270.84799	4.0
285.22119	17.2
296.61780	2.8
303.23080	62.9
309.24380	4.6
321.24191	37.4
339.25330	11.5
425.18442	2.9
483.29675	4.0
526.18097	5.1
551.21246	4.0
569.29523	8.1
587.21844	4.9
587.30823	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	587.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51997	2.4
53.03926	6.4
55.01865	5.9
55.05501	31.3
57.03429	14.1
57.07050	4.3
65.03934	5.9
67.05492	99.2
68.05856	2.5
69.03439	3.7
69.07061	19.3
69.43351	2.5
70.75476	9.6
71.01328	6.5
77.14126	2.4
78.56059	2.6
79.05480	64.7
81.03406	29.6
81.07047	77.5
83.04956	8.2
83.08611	12.2
85.06522	3.1
91.05468	47.4
93.07027	53.9
95.04953	77.3
95.08583	43.3
95.09122	4.2
97.10151	12.8
103.05388	4.0
105.06995	29.5
107.04936	15.2
107.08578	38.4
109.02865	12.6
109.06496	10.6
109.10137	18.8
111.04447	4.1
117.07012	19.0
119.04911	3.5
119.08545	24.1
121.06470	9.5
121.10101	17.6
123.04408	78.3
123.08047	5.1
123.11720	7.8
125.05983	4.7
125.09584	6.7
128.06213	3.1
129.07002	11.5
129.11874	3.1
131.04871	4.8
131.08557	15.6
133.06493	4.4
133.10103	16.6
134.68845	2.7
135.08046	9.0
135.11682	17.8
137.05902	3.4
137.09586	3.2
143.08539	6.9
145.06490	3.9
145.10101	27.9
147.08026	10.9
147.11674	12.5
149.09566	6.3
149.13237	6.3
153.09070	4.9
155.08636	3.6
157.10147	5.3
159.11693	7.5
161.09572	4.6
161.13235	9.7
163.11163	26.8
165.12959	3.6
171.11658	10.9
173.09602	13.9
183.08267	2.7
189.12747	11.7
191.10655	5.0
193.12108	3.5
199.11162	3.2
207.13756	14.3
217.12231	9.0
235.13248	98.0
253.14302	5.2
261.21985	6.6
274.15140	3.0
309.16891	55.2
309.20261	4.6
335.25766	100.0
336.47571	3.1
477.33472	6.4
495.34720	7.8
504.31635	3.1
569.38300	58.4
570.38739	4.7
573.95398	3.9
587.39294	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	587.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.4
55.01852	13.8
55.05497	23.4
57.03418	11.7
65.03936	6.5
67.05496	100.0
69.03403	4.3
69.07057	24.5
69.41115	37.6
71.01350	6.2
71.04960	4.3
71.08601	5.1
79.05479	73.4
81.03404	34.5
81.07040	89.1
83.04960	10.0
83.08601	15.9
89.06039	4.5
91.05461	43.6
93.07030	73.6
95.04955	82.7
95.08599	55.7
97.06533	5.7
97.10159	14.0
105.07012	35.0
107.04940	18.7
107.08572	34.5
109.02847	14.6
109.06508	10.8
109.10137	28.3
111.08073	4.0
117.07002	23.7
119.08559	29.9
121.06496	8.7
121.10133	25.3
123.04411	74.7
123.08035	7.4
123.11668	4.1
124.59061	3.2
125.09626	8.8
129.07001	13.1
131.04890	5.7
131.08566	20.8
133.10146	17.2
135.08020	12.5
135.11682	20.6
137.05946	7.4
139.03865	6.0
141.06935	5.0
143.08501	9.9
145.06456	7.4
145.10074	27.1
147.08035	6.9
147.11687	15.5
149.05968	5.3
149.09541	6.8
149.13200	6.5
153.07076	3.3
153.09062	7.8
155.08537	5.6
157.06490	4.0
157.10066	7.0
159.08028	5.7
159.11691	7.5
161.09541	3.4
161.13217	7.4
163.11151	23.0
163.14874	4.9
171.11668	10.5
173.09627	11.9
181.10074	4.6
183.11630	4.5
185.13312	5.4
189.11209	3.7
189.12706	14.3
191.10646	9.7
207.13837	18.8
217.12238	9.8
223.13187	4.8
235.13246	96.9
253.14285	5.3
261.22055	7.4
279.20923	3.9
309.16959	59.2
335.25745	100.0
467.47525	4.1
527.32056	3.7
569.38281	50.2
587.39203	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.2
55.01863	7.2
55.05507	19.8
56.55983	2.5
57.03420	12.6
57.07059	2.9
57.96692	3.1
63.61166	2.5
65.03924	3.9
67.05490	78.4
69.07051	13.8
69.34788	16.3
69.35226	16.5
71.01342	5.7
79.05476	52.3
81.03412	34.4
81.07038	61.4
83.04963	3.5
83.08601	12.0
91.05460	39.0
93.07033	51.0
95.04949	58.8
95.08596	44.3
97.06512	4.5
97.10134	10.5
98.21093	14.0
105.07001	20.2
107.04936	11.1
107.08573	29.2
109.02869	7.6
109.06497	9.8
109.10130	22.7
111.08091	3.7
115.05441	3.0
117.06995	12.8
119.08553	26.3
121.06475	7.7
121.10130	17.2
123.04409	66.3
123.11702	7.9
125.09591	5.4
128.06189	3.8
129.06985	12.3
131.04909	2.6
131.08542	13.4
133.06410	2.9
133.10136	11.8
135.08032	6.0
135.11636	18.4
143.08542	10.4
145.06468	5.0
145.10127	19.0
147.08029	7.7
147.11673	11.4
149.09586	4.9
149.13200	4.3
153.09058	6.8
155.08485	5.2
156.07368	2.7
157.10063	4.4
159.11664	5.1
161.13194	6.6
163.11148	26.1
171.11700	11.8
173.09599	9.0
185.13222	4.4
189.12704	11.9
191.10655	7.5
199.11232	6.7
207.13748	13.6
217.12215	12.6
221.13783	3.0
235.13248	77.2
235.15483	5.8
253.14420	6.8
261.22089	10.3
309.16876	50.7
335.25757	100.0
477.33243	6.9
495.34207	5.1
551.37341	3.1
569.38342	43.5
587.38788	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	587.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.01867	11.3
55.05503	23.5
57.03411	5.7
57.07063	41.9
63.18671	2.2
67.05493	49.2
69.07056	36.4
69.50569	2.5
69.90534	12.8
71.04954	2.3
71.08615	26.8
79.05479	33.9
81.03385	6.2
81.07043	67.1
83.04952	5.0
83.08183	2.4
83.08595	16.2
85.06530	6.8
85.10173	12.8
91.05460	55.9
93.07031	38.9
95.01318	10.7
95.04951	12.2
95.08593	47.3
97.06496	14.0
97.10139	7.9
99.08086	2.7
105.04456	2.3
105.07014	72.1
107.04941	14.8
107.08570	17.2
109.06499	4.2
109.10151	16.1
111.08086	3.0
117.06999	13.6
119.08566	39.3
121.06536	2.5
121.10114	10.1
123.08035	2.8
123.11688	6.1
129.06998	3.2
129.62564	2.1
131.04906	2.9
131.08542	25.8
133.10103	44.5
135.08072	2.4
135.11682	10.5
137.09592	3.9
141.06888	2.3
143.08524	4.8
145.10112	24.6
147.11673	18.1
149.09621	6.8
151.11124	2.8
157.10107	4.3
159.11676	11.7
161.13240	9.2
163.11183	5.0
169.10123	2.9
171.11673	3.1
173.13321	7.1
177.12741	6.4
179.14326	18.6
187.11217	3.9
197.13162	3.4
219.17368	22.2
229.19557	3.1
239.17964	4.1
239.23642	2.5
257.18924	11.0
275.20013	85.9
279.16006	2.3
293.21054	7.7
313.27335	4.6
331.22440	2.5
349.23666	3.5
413.00830	2.2
587.46606	100.0
588.46674	2.4
604.88910	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	588.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
58.06591	0.3
60.08157	6.5
67.05489	0.9
69.07056	0.3
69.70158	1.9
71.07362	3.0
79.05482	0.5
81.07040	0.5
82.07416	0.2
86.09692	31.0
91.05473	0.4
93.07014	0.7
95.08569	0.5
98.21494	0.3
98.98442	3.6
104.10725	3.1
105.07007	0.7
107.08571	0.4
119.08515	0.4
119.75691	0.2
121.10091	0.3
124.99984	21.1
131.08589	0.3
133.10095	0.4
139.03938	0.3
143.01016	0.4
171.11716	0.3
184.07314	100.0
185.07666	0.5
194.78006	0.3
253.04900	0.2
285.30161	0.3
570.35364	0.6
588.36511	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	589.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
54.49110	0.5
55.01857	3.0
55.05489	0.5
57.03411	1.3
60.27570	0.5
61.02910	1.3
67.05492	1.1
68.99776	1.1
69.03100	0.8
69.03421	10.0
69.07050	1.5
69.37244	4.8
69.37672	1.6
70.06575	1.2
71.04971	1.3
72.08140	0.6
73.02903	2.0
79.05466	2.6
81.03406	8.8
81.07049	5.6
83.04971	0.7
84.08165	0.9
85.02888	17.7
86.09705	0.9
87.00812	4.9
91.03942	0.6
91.05463	4.5
93.07014	2.3
94.04158	2.3
95.01302	3.1
95.04951	2.1
95.08585	2.5
97.02876	5.7
97.06515	0.6
98.21391	1.1
99.04434	3.6
103.05442	1.5
104.06194	0.7
105.01829	4.7
105.07005	5.6
107.04921	1.0
107.08559	2.2
109.02866	7.7
109.06491	2.9
109.10146	1.6
115.03944	0.8
115.05444	3.7
117.01830	0.7
117.07003	2.1
119.04927	0.9
119.08552	3.3
121.06480	1.2
121.10140	1.5
122.03629	6.4
123.04408	0.8
123.11698	1.3
127.03895	14.8
128.06198	1.5
129.01828	1.3
129.07014	3.1
131.04910	1.3
131.08501	1.3
132.05684	2.3
133.06488	4.0
133.10118	1.2
135.08031	1.3
135.11652	1.1
137.05951	100.0
138.06268	1.2
139.11168	0.9
143.08516	0.6
144.05629	0.7
145.04993	3.7
145.06415	1.9
146.03569	0.9
147.02852	0.9
147.04410	2.8
147.08003	3.9
147.11674	0.8
148.07581	0.6
149.05934	2.1
151.03886	0.9
151.07509	1.1
155.04871	1.0
156.05649	1.0
157.06421	0.7
157.10031	0.7
159.02867	4.2
159.08028	2.2
160.05191	1.6
161.05957	18.4
163.07524	2.5
163.80463	0.5
165.06953	0.7
165.09140	0.9
171.07980	0.7
171.11691	0.9
172.05203	1.5
173.13155	0.6
175.07515	30.4
177.09039	1.4
179.07008	1.8
179.10570	0.6
184.05156	0.9
185.06007	0.7
187.07526	8.0
189.03854	0.7
189.05432	1.1
189.06966	1.1
189.09061	1.4
190.07669	1.4
191.06996	0.9
191.08528	6.4
199.07526	7.4
201.16263	0.6
202.07693	2.8
203.08517	7.0
204.09071	0.6
205.06552	1.2
208.08791	1.2
209.05798	0.5
211.14700	0.8
213.16321	2.4
217.08551	0.6
218.07249	2.2
219.08047	9.7
220.08742	2.9
223.11237	0.7
229.08534	1.3
230.07115	0.7
231.04929	2.4
231.07996	10.5
232.08748	2.1
233.09633	1.1
235.07585	0.8
235.11145	0.7
236.08240	1.9
241.08559	0.7
247.07500	5.2
248.08318	4.9
249.09061	1.3
251.10654	12.5
254.98158	0.5
258.06665	0.9
259.07535	5.8
260.08304	2.1
261.09012	1.9
263.10626	4.8
264.07864	1.5
265.08609	1.2
273.09195	0.7
275.06967	0.6
276.07733	2.5
277.08585	2.5
279.07004	0.9
279.10101	18.9
280.10742	2.3
281.08142	0.7
291.10135	14.7
292.10858	2.2
293.08127	1.7
293.11670	0.9
295.09619	1.6
295.13104	1.1
296.10431	1.6
297.11172	2.0
303.10159	0.8
305.24689	2.0
308.10425	2.4
311.12735	33.4
312.12982	1.4
315.10083	0.9
317.06580	0.9
321.11157	1.0
323.12714	27.9
323.25748	1.4
324.13031	1.0
333.11346	1.1
335.12823	2.5
341.10080	7.2
341.13666	1.1
353.14001	1.6
373.25302	0.7
377.05414	0.9
391.26382	1.7
401.13885	0.9
409.27399	0.8
427.21100	0.9
571.33301	1.2
589.17609	1.0
589.26117	9.6
589.34521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
54.29399	2.9
55.01845	4.0
55.05505	17.5
57.03423	6.2
57.07061	6.6
59.04984	3.9
61.02912	4.1
61.26763	3.1
67.05498	38.3
68.99781	3.8
69.03419	22.7
69.07058	29.7
70.06578	8.0
71.04984	14.2
71.70095	3.3
71.70514	4.4
73.02894	4.1
79.05490	17.8
81.03410	13.8
81.07047	100.0
83.04945	8.4
83.08605	9.0
84.08118	5.1
85.02900	28.7
85.06530	14.7
86.09718	3.5
87.00799	9.0
91.05488	15.1
93.07032	39.3
95.04960	15.2
95.08588	69.9
97.02871	10.9
97.06485	12.0
97.10142	3.1
99.04424	7.9
99.08083	9.2
105.01866	5.4
105.07025	28.9
107.04931	3.8
107.08588	36.1
109.02859	13.7
109.06483	11.3
109.10154	47.3
111.08071	28.6
111.11708	5.9
113.06038	4.0
119.04913	3.8
119.08572	26.2
121.06496	5.0
121.10129	32.7
123.08048	7.5
123.11693	75.5
125.09576	9.4
127.03889	17.9
127.11163	12.5
129.06958	4.3
131.08545	6.5
133.10126	16.5
135.08049	4.0
135.11691	19.6
137.05966	8.0
137.09630	6.9
137.13249	23.4
139.03844	6.7
139.11182	8.1
141.12677	2.8
143.08527	5.9
145.04974	3.8
145.10118	18.5
147.04349	3.8
147.11667	20.8
149.13240	11.9
151.11194	11.9
153.12773	13.7
157.10103	10.3
159.02875	3.7
159.11685	14.1
161.13239	9.9
163.03870	4.4
163.11206	6.0
163.14827	6.8
165.12778	8.8
169.10255	3.1
169.12227	7.2
171.11647	3.0
173.13248	9.3
175.14851	4.9
177.16415	3.4
181.12202	5.9
185.13159	4.3
187.14732	3.3
189.16360	7.3
201.16350	11.7
209.15289	2.8
213.03891	6.8
213.16373	5.8
217.19554	5.9
225.12788	3.8
228.23724	2.8
231.04881	4.1
231.17532	2.9
235.20471	4.6
265.04831	3.6
269.22736	3.7
275.23575	3.0
282.05118	3.4
283.16791	5.9
287.23740	23.9
293.04181	3.7
293.24600	14.3
305.24713	84.0
317.06430	4.2
323.25797	40.1
325.07028	41.9
340.04822	5.1
341.08667	5.7
342.09686	18.3
362.01950	3.1
377.05112	8.6
409.27048	5.1
427.28323	8.2
470.67307	3.0
503.09412	3.7
545.11566	4.5
589.10870	24.5
589.25916	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	589.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.7
55.01862	15.4
55.05505	24.9
57.03427	25.8
64.98749	1.9
65.03924	6.0
67.05495	86.7
69.03417	3.9
69.07056	15.3
69.42621	3.1
69.43026	20.1
71.04987	6.1
79.05479	72.4
81.03403	11.3
81.07042	52.2
83.04963	12.4
83.08607	9.0
85.06527	15.7
91.05464	69.7
93.07028	61.7
93.07569	1.5
95.04952	77.3
95.08583	30.6
97.06505	11.6
97.10138	4.6
98.21062	11.1
99.08044	2.2
103.05458	3.1
105.04529	3.1
105.07011	52.2
107.04931	20.8
107.08580	29.6
109.05739	3.4
109.06496	65.4
109.10140	9.6
111.08037	4.6
113.04820	2.6
113.05990	51.2
115.05441	7.1
117.06984	19.8
119.04884	3.1
119.08554	31.6
121.06494	7.7
121.10134	10.4
123.04416	5.0
123.08059	6.1
125.09610	2.0
128.06213	4.2
129.06975	23.1
131.04910	2.2
131.08545	28.5
133.06487	6.5
133.10115	15.6
135.08028	48.8
135.11664	13.4
141.07001	4.6
142.07787	2.2
143.08539	13.9
145.06470	2.9
145.10101	18.6
147.08041	11.0
147.11664	20.1
149.09593	8.6
149.13263	4.9
155.08554	2.6
157.10114	8.2
159.08018	5.6
159.11621	11.8
161.09608	13.4
161.13213	9.9
163.11172	7.2
165.09085	4.4
169.10149	4.3
171.11693	19.4
173.09637	2.6
173.13185	3.2
175.11182	5.2
177.12721	5.4
189.12721	10.0
195.13718	4.3
199.14801	3.8
201.12700	4.7
207.13779	15.1
217.15829	16.9
227.12547	2.3
233.15253	3.2
241.14313	3.3
245.18893	3.2
255.17430	5.6
273.18463	44.5
274.18567	2.9
275.20074	3.4
279.15802	11.3
281.17441	46.5
291.19476	100.0
347.22217	11.8
356.85541	2.4
365.23248	12.5
437.23682	3.2
553.35327	10.0
571.36176	33.5
589.36407	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.6
53.03936	7.9
54.21562	1.6
55.01865	6.4
55.05504	31.6
57.03427	5.0
57.07086	1.6
57.85555	1.4
58.54348	1.6
63.28187	1.6
65.03916	3.7
67.05494	64.9
69.03419	8.7
69.07053	31.5
69.53828	1.6
69.64652	14.6
71.04980	4.3
79.05479	70.5
81.03414	11.3
81.07041	59.5
83.04976	12.9
83.08600	17.0
83.09032	2.1
85.02887	2.8
85.06553	3.0
91.05465	58.2
93.07030	67.5
95.04954	25.7
95.08590	33.6
97.02876	4.8
97.06496	9.2
97.10152	21.7
98.20786	3.8
98.21371	4.0
103.05447	2.5
105.07009	41.5
107.04955	11.3
107.08578	23.7
109.06508	7.6
109.10110	11.9
111.04430	2.4
111.08080	3.3
116.06264	1.7
117.07016	18.1
119.04915	2.6
119.08559	27.8
121.06503	6.6
121.10133	11.5
123.04424	2.7
123.08059	19.9
123.11720	4.2
125.09602	14.9
128.06172	3.8
129.06992	18.4
129.10251	1.9
131.08545	17.1
133.06464	5.8
133.10106	16.2
135.08080	4.6
135.11684	4.5
137.09625	4.3
142.07788	2.6
143.08534	11.5
145.06482	3.3
145.10103	17.9
147.07996	9.0
147.11658	30.6
149.09622	4.3
149.13219	3.0
151.07581	2.9
151.11192	2.6
153.09079	2.5
155.08569	2.3
157.10120	5.0
159.11658	7.8
161.09602	5.7
161.13219	9.7
162.10255	2.1
163.00664	1.8
163.11145	3.2
164.10767	1.7
165.09138	6.6
167.08632	2.3
169.10046	3.1
169.12242	4.4
171.11636	21.4
173.13234	2.7
175.11169	4.3
177.12694	2.0
181.10074	2.5
183.11795	2.5
185.13173	2.2
187.13289	3.5
189.11157	8.8
189.12732	12.7
193.12207	2.0
195.11801	3.2
195.13649	2.0
207.11969	2.9
207.13791	16.3
213.56967	1.8
223.13210	12.9
225.14778	2.0
227.12711	13.0
245.19016	2.3
249.14915	6.4
255.17441	3.3
263.16519	2.1
267.15692	4.0
273.18475	26.6
281.17459	42.0
291.19485	100.0
347.22122	3.9
365.23212	22.3
451.27213	2.1
473.29022	3.5
571.22589	3.8
571.36249	79.9
572.36346	2.1
589.23199	3.3
589.35950	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	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.05503	17.6
57.03431	12.4
57.07064	47.4
61.16644	1.5
65.03928	2.3
67.05493	39.2
69.07055	20.0
69.34093	13.9
69.34509	4.7
71.04965	3.6
71.08614	30.7
73.95695	1.4
76.41927	1.7
79.05480	30.4
80.05862	1.6
81.07043	45.3
83.08604	20.5
85.06524	3.6
85.10168	17.7
89.06038	2.2
91.05464	47.2
93.07027	37.9
95.04956	4.3
95.08588	46.3
97.06529	2.8
97.10144	8.4
99.08064	3.7
105.06332	3.1
105.07008	49.0
107.08574	23.1
109.10136	16.9
111.11687	2.2
117.06981	11.7
119.08554	44.6
121.10125	15.7
123.11699	5.0
129.06979	6.1
131.08539	23.5
133.10109	35.9
135.11681	15.7
143.08562	9.9
145.10094	16.2
147.11656	44.3
149.09578	2.4
149.13242	12.3
151.11137	2.2
157.10098	8.2
159.11702	18.2
161.13231	39.4
163.11234	2.4
163.14804	4.0
171.11652	12.8
173.13225	11.9
175.14764	17.1
177.12656	2.1
179.14406	1.7
185.13246	8.8
187.14798	5.5
189.12741	2.5
196.37990	1.7
199.14839	4.0
217.16087	1.7
217.19423	1.8
231.21017	10.0
239.23637	7.6
241.19481	39.2
259.20532	98.1
277.21515	3.8
313.27310	100.0
315.23148	5.4
333.24173	45.2
351.25388	2.9
379.08432	1.7
571.47473	9.5
589.48090	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16065	20.7
67.05494	39.1
71.43487	31.6
71.43810	36.4
79.05484	26.0
81.06998	33.8
90.21783	21.6
91.05479	52.4
103.67036	23.7
133.10106	41.1
147.11699	29.4
161.13289	26.5
190.29395	23.8
192.82472	25.9
206.42566	22.3
231.24782	24.0
241.19467	30.3
259.20764	43.9
313.27328	100.0
333.24261	28.9
338.99194	23.7
363.23618	22.0
376.70984	21.4
497.77612	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
54.56828	1.6
55.01852	1.8
55.05495	15.2
57.03434	9.5
57.06806	2.4
57.07069	35.8
65.03934	2.8
67.05490	33.5
69.07056	13.5
69.75696	8.6
69.76109	2.9
71.08617	28.2
74.09341	1.7
79.05482	28.0
81.07043	36.4
83.08598	16.8
85.10181	12.1
91.03018	1.5
91.05463	38.2
91.06024	2.1
93.07027	36.3
95.04951	2.5
95.08591	38.1
97.10142	6.3
99.08051	1.9
105.06335	3.2
105.07014	42.4
107.04955	1.8
107.08566	19.6
109.10120	18.1
117.07010	10.3
119.08558	42.6
121.10111	19.0
123.11686	7.1
129.06950	4.2
131.08551	15.2
133.09166	3.2
133.10103	37.5
135.08020	1.9
135.11671	15.9
137.13188	1.9
143.08562	5.9
145.10083	16.5
147.11668	36.6
149.09590	2.6
149.13206	11.7
157.10107	8.6
159.11650	14.7
161.13232	26.5
163.11182	2.0
163.14795	3.3
171.11607	11.8
173.13245	14.0
175.14781	11.1
185.13167	10.0
187.14775	4.8
199.14839	6.1
204.09564	2.0
217.19435	2.1
231.21002	11.0
239.23698	6.4
241.19489	39.9
257.24768	2.6
259.20547	91.3
277.21536	3.2
282.49518	1.7
313.27304	100.0
315.23093	7.6
333.24194	44.7
351.25131	2.1
405.99115	1.7
437.22559	2.2
497.43320	4.0
539.47699	1.7
571.47339	12.9
589.47943	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	589.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01881	1.9
55.05276	1.6
55.05504	17.7
55.79452	1.6
57.03434	11.0
57.06804	2.9
57.07064	43.5
65.03936	2.2
67.05139	2.5
67.05492	46.4
69.07054	20.8
70.82555	4.5
71.04967	2.4
71.08248	3.0
71.08616	37.2
72.61098	1.4
79.05476	29.7
81.07040	50.8
83.04945	3.0
83.08607	19.4
85.06549	1.6
85.10171	16.4
89.01891	1.8
89.06000	1.9
91.04916	2.9
91.05463	40.5
93.07025	38.0
95.04937	3.5
95.08585	45.5
97.06488	2.1
97.10167	9.9
99.08082	4.2
100.01661	1.6
103.07547	1.7
103.88865	1.4
105.07010	50.7
105.07723	2.7
106.07329	1.4
107.08586	21.0
109.06493	2.6
109.10126	19.5
111.08047	1.5
111.11652	2.0
113.09592	1.8
115.05334	2.1
117.06984	12.1
119.07735	2.9
119.08556	47.2
121.10104	18.1
123.11656	6.9
125.09633	2.3
129.06964	7.2
130.07753	1.6
130.85881	1.7
131.08553	17.6
133.10103	37.3
135.08023	2.7
135.11678	17.3
137.05939	8.7
137.13266	2.3
137.34146	1.6
143.08546	7.5
145.10094	18.2
147.11656	48.6
149.09569	1.9
149.13217	12.7
157.10081	7.1
159.11684	15.7
161.09520	1.8
161.13240	35.5
161.29701	1.6
163.11165	3.9
163.14796	3.4
171.11659	11.9
173.13219	10.0
175.14804	16.4
177.12726	3.6
179.14307	3.4
185.13229	10.3
187.14792	3.1
189.12727	2.1
199.14793	6.3
213.16373	3.9
215.17720	2.0
231.17444	3.5
231.21043	9.1
239.23628	4.9
241.17084	3.0
241.19469	42.8
259.20520	96.5
275.20157	2.0
277.17966	6.3
277.21548	5.6
313.27319	100.0
315.23114	5.8
333.24176	52.0
351.25208	2.5
365.77634	1.7
415.00339	1.5
497.43427	2.7
571.47333	10.0
589.48260	21.2
617.04059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01859	1.0
55.05493	3.0
63.43509	0.5
67.05476	1.9
69.03413	4.4
69.07046	1.6
69.61028	4.4
70.06573	1.9
71.04975	1.4
71.08605	3.5
72.08127	0.8
73.02894	0.7
79.05459	0.9
81.03405	4.4
81.07028	4.2
83.04972	3.9
84.08134	1.0
85.02879	5.1
85.06530	0.9
86.06053	13.9
86.09663	0.9
87.00797	1.5
91.05450	2.0
93.07024	2.2
95.04942	1.4
95.08577	2.3
96.08113	4.1
97.02868	2.5
97.06494	0.7
98.09683	8.7
99.04432	1.6
99.08079	2.8
99.46870	0.6
100.07648	0.6
101.05969	3.1
102.86324	0.6
105.01844	1.0
105.06996	1.8
107.04961	0.6
107.08554	1.9
108.08092	1.6
109.02863	3.4
109.06477	0.6
109.10152	1.5
111.04424	4.5
112.07632	0.6
114.09135	0.6
116.01646	0.5
116.10710	20.2
119.08547	2.4
121.08875	0.7
121.10114	1.7
122.09564	0.8
123.11690	1.3
124.07564	1.1
127.03879	6.1
129.05432	1.7
131.08536	0.6
133.10101	0.9
135.08078	0.7
137.09587	1.1
137.13223	0.6
139.03911	0.5
142.08604	9.8
142.12216	1.6
143.10643	4.4
145.04912	0.9
145.10072	0.9
146.09598	0.6
149.09637	0.5
155.06998	1.7
157.10103	0.5
159.02835	1.0
160.12213	0.5
162.12717	0.7
164.10667	4.6
173.08055	1.3
180.13788	1.0
182.15366	4.7
184.13318	1.2
190.12251	4.1
198.14854	2.4
208.13306	6.5
214.17987	4.5
226.14337	30.2
231.05016	0.9
244.15399	100.0
245.15645	0.9
275.13739	1.1
306.24985	0.6
324.21783	2.5
324.25189	0.7
342.22665	14.7
347.13449	0.7
429.23795	0.6
474.19348	1.3
492.20685	11.0
572.26093	0.7
590.27319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.05502	6.3
57.07061	3.7
67.05483	9.9
69.03413	11.9
69.07069	6.2
70.01899	11.2
70.06600	6.2
71.04971	6.3
71.08628	3.6
73.02898	2.7
77.50341	2.3
79.05487	6.7
81.03410	9.1
81.07056	28.5
82.06576	2.6
82.07364	4.7
83.04971	9.7
83.08602	4.7
84.08105	3.7
85.02901	17.4
85.06533	3.2
86.06045	10.2
86.09702	3.6
87.00801	4.4
91.05457	6.3
93.07031	14.1
94.07414	2.7
95.04968	11.7
95.08583	18.0
96.08144	3.2
97.02877	7.2
97.06529	2.9
97.10190	2.2
98.09683	7.7
98.21505	2.4
99.04447	5.5
99.08094	3.4
105.01840	2.4
105.07015	10.9
107.08592	9.7
108.08125	3.1
108.08887	2.6
109.02882	7.3
109.06480	3.6
109.10124	13.6
111.04429	5.0
111.08022	2.8
116.10709	19.0
119.08573	10.5
120.08047	2.3
121.10136	9.6
123.04416	4.1
123.08054	2.7
123.11701	6.1
124.12021	3.6
125.09588	2.5
127.03920	10.9
131.08577	4.3
133.10109	6.8
135.11664	5.7
137.06030	3.2
137.09550	3.3
137.13249	8.0
138.13531	2.5
142.08643	8.9
142.44289	2.3
143.08421	3.3
143.10696	3.6
145.04933	2.4
145.10121	4.5
147.11694	6.6
157.10129	3.1
159.11673	5.1
164.10661	3.4
182.15475	5.3
190.12230	4.6
208.13277	5.0
213.16325	4.2
214.17946	6.6
226.14354	29.3
244.15417	100.0
281.17474	2.3
287.23566	2.7
288.24039	3.5
305.24710	2.4
306.25110	6.3
317.10150	2.4
324.21649	4.1
324.26218	4.2
342.22818	22.7
429.23840	2.7
449.06973	2.4
469.28799	2.6
492.20847	11.5
500.68719	2.7
578.39343	2.5
590.28088	3.5
590.33130	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	590.389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55999	1.3
55.05493	4.8
56.05020	2.8
60.04504	2.2
60.28748	1.3
65.03928	1.6
67.05485	5.2
69.07053	2.4
71.67581	1.3
71.68002	2.0
72.98721	1.2
79.05482	6.7
80.05011	1.9
81.03416	1.6
81.07037	11.9
82.06565	40.0
83.08598	7.6
85.02912	6.6
91.05463	5.5
93.07015	9.6
94.06547	44.4
95.04948	4.1
95.07355	2.2
95.08582	3.0
96.08139	2.9
97.02843	1.6
97.06537	1.7
97.10126	1.5
98.09662	7.7
103.05457	2.6
105.07043	1.9
108.08118	6.9
109.06512	2.7
110.09625	1.8
110.41456	1.4
116.61368	1.2
120.08097	17.8
126.09139	28.8
138.09117	100.0
141.15309	1.5
156.10135	12.5
172.15475	1.5
272.25870	1.6
336.28876	2.0
362.30447	3.5
374.30472	9.3
380.31421	11.0
392.31613	9.0
410.32587	51.7
460.12091	1.5
557.78668	1.4
572.37354	3.5
590.36755	2.7
591.39075	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28799	1.9
53.03933	4.9
54.38253	2.0
55.01844	9.2
55.05501	11.3
55.14180	2.2
57.03413	6.6
57.07070	3.1
57.11699	2.1
59.04981	2.4
61.02908	6.7
67.05143	2.5
67.05491	40.8
68.99754	2.8
69.03418	40.0
69.07057	26.1
70.06577	2.7
71.04966	10.0
73.02888	4.9
79.05479	20.6
80.36596	2.1
81.03401	18.5
81.07044	74.3
83.04971	6.9
83.08597	9.9
85.02893	79.2
85.06513	9.9
87.00816	6.5
87.04429	5.0
91.05473	26.2
93.07030	37.1
95.04961	12.5
95.08588	44.0
97.02880	29.3
97.06510	8.8
99.04444	9.7
99.08074	5.5
105.01846	4.3
105.07011	46.4
107.04941	16.2
107.08575	42.9
109.02847	17.1
109.06502	6.0
109.10137	100.0
109.49942	2.4
111.04424	4.1
111.08065	5.4
111.11695	5.3
115.66878	2.2
117.06981	10.1
119.04881	2.5
119.08564	26.5
121.06493	5.0
121.10123	43.4
123.04447	6.4
123.08055	5.3
123.11684	32.6
125.09608	3.5
127.03892	26.5
127.11207	3.7
128.06195	5.8
129.06981	9.6
131.08540	22.3
133.10101	30.6
135.08083	3.6
135.11687	15.9
137.05962	3.0
137.09579	5.8
137.13240	4.8
139.11159	27.6
141.06895	3.3
142.07759	8.9
143.08546	17.2
145.04958	12.2
145.10094	28.2
147.11658	43.9
149.13263	11.5
151.03836	3.3
151.11172	3.7
153.12787	5.2
155.08557	7.2
157.10095	57.0
157.12083	3.2
159.02873	5.1
159.08008	2.5
159.11658	30.5
161.13217	10.2
163.07497	3.0
163.14812	11.8
165.09119	3.1
165.12766	15.5
169.10138	6.4
171.11722	15.5
173.13216	11.1
175.11115	4.5
175.14740	3.9
183.11674	9.5
185.13254	6.7
187.14767	3.2
193.08519	3.2
195.11678	3.1
197.13223	11.4
199.14786	3.9
203.18050	3.0
209.13254	5.2
211.14816	8.3
211.16786	3.3
213.16342	3.4
215.17957	8.6
217.85457	2.6
223.14812	3.4
224.15533	3.3
225.16312	3.9
241.19507	2.7
245.22525	2.9
251.17894	6.4
253.19490	89.4
255.21033	2.7
265.19559	2.6
271.20511	33.0
271.24094	6.7
273.18546	2.7
277.25259	7.0
289.25180	16.0
295.26331	9.1
306.20447	5.2
307.20789	6.9
307.26257	40.2
323.23499	4.6
324.21591	10.1
325.21970	15.9
325.27319	16.8
342.22705	3.9
343.12659	4.7
343.22903	6.8
347.99875	2.8
375.26819	4.3
385.09238	7.1
393.27841	16.8
411.28763	9.6
429.11575	4.3
429.29852	4.0
433.25720	18.3
448.59894	2.6
503.29855	4.8
515.29852	23.2
531.46490	2.4
533.30762	4.4
573.34167	34.1
591.35162	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	591.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.4
55.05490	11.6
57.03428	4.1
57.07074	3.7
59.04977	3.0
60.52696	2.8
61.02895	5.1
67.05492	38.5
69.03424	18.3
69.07060	22.7
69.37113	11.5
69.37542	20.4
70.06578	3.8
71.04968	11.8
71.95766	2.4
73.02892	3.3
75.81355	2.7
79.05479	16.3
81.03402	11.2
81.07040	72.1
81.61246	2.8
81.69740	2.4
83.04979	2.9
83.08615	6.4
85.02892	45.2
85.06506	5.5
87.00798	5.1
87.04429	2.7
91.05463	12.2
93.07030	24.7
95.04946	8.4
95.08001	5.8
95.08591	100.0
95.09203	5.2
97.02877	17.4
97.06496	6.6
97.10162	2.8
98.49484	2.7
99.04469	3.9
99.08073	3.4
105.07008	20.6
107.08580	34.9
108.39255	3.4
109.02851	9.2
109.06490	9.9
109.10124	52.8
111.08055	15.2
115.03987	3.3
117.06982	5.9
119.08568	11.4
121.10128	27.0
123.04375	2.9
123.11671	24.0
125.09547	5.0
127.03871	15.6
127.11169	7.1
129.05489	4.4
129.06990	4.2
131.08537	16.7
133.10114	15.7
135.11646	10.3
137.13222	36.0
141.06874	3.6
142.07722	5.8
143.08537	10.5
145.04936	7.3
145.10104	15.0
147.11676	28.7
149.13217	21.4
151.11136	5.4
155.08452	3.1
157.10107	46.2
159.11681	19.7
161.13206	5.9
163.14845	4.8
165.09096	6.3
165.12706	7.8
168.42697	3.3
171.11636	12.0
173.13235	6.4
183.13707	2.9
185.13310	3.0
189.16290	5.3
191.17888	3.5
197.13261	5.2
201.14839	4.2
203.17804	4.6
211.14803	7.7
219.17503	3.2
219.21094	3.4
237.18384	5.1
237.22083	6.4
251.17853	3.3
251.20097	4.0
253.19464	90.0
255.21184	2.9
271.20532	35.8
271.23752	5.1
271.24188	4.7
277.25308	16.7
289.25119	14.2
295.26193	2.6
307.26254	40.9
325.27325	4.4
409.30609	2.9
411.11090	3.3
418.45941	3.2
433.25818	12.7
452.37030	3.3
467.05548	3.4
489.93918	2.9
496.72736	2.6
573.34094	5.8
591.19843	4.4
591.34814	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	591.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01855	6.9
55.05503	8.8
57.03432	8.0
57.07063	5.0
61.02911	3.2
65.03933	1.4
67.05495	25.5
69.03420	18.8
69.07055	5.0
71.04967	4.6
73.02893	2.0
79.05492	7.7
81.03416	6.3
81.07042	47.7
83.04967	10.7
83.08633	2.4
85.02895	31.4
85.06530	18.2
87.04475	1.6
91.05458	10.0
93.07037	16.7
95.04957	18.8
95.08591	23.8
97.02863	9.2
97.06508	3.7
98.21458	2.8
99.04456	7.0
99.08088	1.7
102.61472	1.3
105.07015	14.3
107.04944	2.7
107.08579	10.9
109.02863	52.5
109.06487	7.3
109.10143	23.2
111.04420	3.6
111.08070	2.6
115.07567	2.4
117.07000	4.3
119.08556	13.0
121.06489	6.1
121.10126	6.2
123.04415	53.8
123.08061	8.5
123.11683	6.2
124.05190	1.7
125.05984	2.1
125.09608	9.6
127.03893	7.9
128.06207	2.9
129.06984	3.9
129.10220	1.2
131.08569	15.2
133.10127	14.2
135.08028	4.9
135.11671	3.3
137.05963	3.9
137.09592	11.2
139.11116	5.8
141.07025	1.4
141.09103	17.6
142.07793	3.6
143.08507	10.0
143.09276	1.0
145.04939	4.5
145.10109	16.0
146.44830	1.2
147.08015	6.0
147.11693	8.8
149.09610	4.2
151.11179	10.8
153.09032	1.6
155.08536	4.5
156.09370	1.7
157.10104	27.2
159.08133	1.5
159.11674	6.5
159.23442	1.3
161.09610	4.0
161.13272	2.7
163.11211	2.6
165.09094	92.8
166.09404	1.4
167.08546	1.8
167.10674	8.6
169.10103	5.1
169.12292	1.4
171.11662	10.9
173.09633	1.4
173.13219	2.3
175.11110	1.9
177.12698	1.6
179.10648	60.8
181.10214	1.5
181.12207	4.1
183.10155	5.0
183.11639	3.2
185.13234	5.0
193.10127	1.5
195.11658	2.9
196.12450	2.3
197.13312	4.8
199.14850	2.4
203.14249	1.2
207.11713	1.5
209.13266	3.9
211.14803	18.6
213.16353	50.6
223.14862	1.5
225.16350	1.6
227.17949	3.2
229.15808	4.5
231.17357	1.6
235.14664	1.6
237.16371	3.9
249.16339	4.2
251.17932	7.4
253.19438	8.2
255.17372	2.3
267.17502	2.8
269.19040	4.3
271.20575	4.4
277.19586	1.8
279.21078	3.8
295.20459	1.5
297.22043	4.2
309.22095	1.8
375.26819	13.3
393.27802	24.5
411.29010	12.5
433.25552	1.4
477.28354	4.7
517.30908	1.7
518.31482	1.4
545.34583	2.9
555.33032	5.5
573.34174	100.0
574.34174	2.9
591.35223	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	591.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03922	1.3
55.01846	1.5
55.05505	2.2
57.03429	3.4
57.07038	0.5
59.04978	0.9
61.02919	4.3
64.39787	0.4
65.03921	0.7
67.05499	8.2
69.03424	10.5
69.07059	1.9
69.97858	2.1
71.04974	1.6
73.02900	2.0
77.03867	0.4
79.05479	5.0
81.03413	5.4
81.07043	11.8
83.01315	0.5
83.04951	1.2
83.08582	1.1
85.02895	35.5
85.06490	0.7
87.04448	2.7
89.18766	0.4
91.03931	1.6
91.04924	0.5
91.05468	8.0
93.07034	8.8
95.04966	0.8
95.08596	7.2
97.02879	12.4
97.06485	0.5
99.04458	1.8
101.06020	0.6
105.06332	0.7
105.07014	11.8
107.08582	12.0
109.02866	5.1
109.06495	1.0
109.10139	12.6
111.04368	0.4
111.08031	0.5
115.03886	0.7
115.05438	0.9
117.06998	3.9
119.08562	6.1
121.06487	0.6
121.10126	13.4
123.04420	0.5
123.08077	0.5
123.11688	3.0
124.12026	0.4
127.03898	7.5
128.06194	1.4
129.05534	0.5
129.06981	5.9
130.07765	0.6
131.08545	11.3
133.10114	15.9
135.11684	2.8
137.09534	0.5
141.06961	1.7
141.09105	1.8
142.07753	5.4
143.08548	8.9
144.09328	0.7
145.04947	7.0
145.10106	11.1
146.10384	0.4
146.75461	0.4
147.11667	21.5
148.11960	0.4
149.13232	2.0
151.11215	0.5
155.08557	3.6
157.10109	48.7
158.10484	0.8
159.11673	17.3
161.13254	3.5
163.05988	0.7
163.11165	0.9
165.09102	1.0
169.10074	2.7
171.11681	9.0
173.13232	4.6
175.11082	1.9
175.14827	0.4
179.93114	0.3
181.09937	0.5
182.10919	0.5
183.11670	4.9
185.13255	3.3
187.14857	0.7
195.11652	0.8
196.12508	0.4
197.13225	8.7
198.13820	0.5
199.14828	1.1
201.02498	0.4
209.13158	0.9
211.14795	5.4
212.15524	0.9
213.16379	1.3
215.14371	0.5
222.16727	0.4
223.14835	0.9
224.15489	2.0
225.16330	3.3
227.18170	0.4
237.16362	0.5
238.17110	1.5
251.17958	3.0
253.19487	100.0
254.19849	2.3
255.21085	2.8
265.19406	1.1
269.19052	0.9
271.20535	41.2
272.20844	0.8
275.13855	0.8
277.03769	0.4
295.20602	0.5
307.26120	0.6
313.21555	0.7
379.21982	0.5
393.27826	1.0
397.23019	0.6
411.28876	1.7
415.24713	0.7
433.25812	25.2
434.26447	1.1
503.50049	0.4
573.33820	1.2
591.35242	26.4
592.35187	0.9
614.32513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01868	5.3
55.05505	7.0
57.03431	7.4
57.07067	4.4
61.02913	3.9
65.03951	1.7
67.05493	23.8
69.03419	16.3
69.07064	3.3
69.91256	5.8
71.04981	3.2
73.02917	0.9
79.05483	7.9
81.03405	4.6
81.07045	37.4
83.01353	1.0
83.04965	10.8
83.08598	1.8
85.02891	25.9
85.06535	15.0
87.04460	1.8
91.03943	1.8
91.05463	9.2
93.07030	13.8
95.04947	19.6
95.08593	16.5
97.02876	10.9
97.06515	2.6
99.04443	6.3
99.08086	2.1
101.06027	2.0
102.03702	0.9
105.07014	14.2
107.08565	8.4
109.02863	47.1
109.06522	4.1
109.10139	13.9
111.08074	2.0
115.07553	3.0
117.06999	3.8
119.08558	10.8
121.06477	5.6
121.10141	6.4
123.04411	49.3
123.08060	7.9
123.11708	4.6
124.05170	1.9
125.05965	3.2
125.09612	9.0
127.03909	5.2
128.06172	1.7
129.06987	5.2
131.08537	11.3
133.10109	12.1
135.08043	1.9
135.11679	1.6
137.05968	3.6
137.09590	8.3
139.11171	6.8
141.07027	1.1
141.09077	15.8
142.07774	3.2
143.08542	9.9
145.04932	3.9
145.10092	12.7
147.08038	4.8
147.11649	6.8
149.09608	2.4
151.11176	9.4
152.46898	0.9
153.09039	1.1
155.08501	4.4
156.09256	1.5
157.10106	24.6
159.08052	1.2
159.11673	7.7
161.09598	2.8
161.13245	1.5
161.28166	0.9
163.11191	1.7
165.09091	90.2
166.09436	1.6
167.10681	8.2
169.10103	4.7
171.11687	11.3
171.35417	0.9
173.13217	2.1
175.11128	1.8
179.10651	54.8
180.11081	1.2
181.10135	1.8
181.12268	4.0
182.10808	1.6
183.10136	2.7
183.11693	4.4
185.13214	4.7
195.11736	3.1
196.12463	2.3
197.13251	3.0
207.11780	1.4
209.13281	3.1
211.14792	15.7
213.16347	47.1
223.14806	1.1
225.16357	2.6
227.17963	3.0
229.15907	4.3
231.17511	2.8
235.14793	2.0
237.16331	3.3
239.17828	1.5
249.16400	4.3
251.17921	5.4
253.19476	10.5
255.17409	3.0
267.17416	2.2
269.19012	3.4
271.20584	3.9
277.19376	1.0
279.21152	2.3
285.18808	0.9
297.22107	3.3
309.22238	1.7
315.23029	1.2
337.25085	1.2
375.26813	10.1
393.22968	1.7
393.27798	22.4
411.28894	11.7
433.26199	2.2
477.28351	4.8
517.31488	2.1
545.34418	1.4
555.32849	6.0
573.34149	100.0
574.34290	4.3
591.35175	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	591.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81953	1.4
53.03935	8.6
55.01855	7.5
55.05507	12.4
57.03420	6.5
57.07065	2.9
59.05006	1.8
61.02895	2.9
62.99981	1.8
65.03940	4.6
66.95109	1.6
67.05495	32.8
69.03414	21.5
69.07065	8.9
70.06597	1.7
71.04977	4.9
73.02873	2.9
73.92796	1.5
79.05471	14.7
81.03397	8.3
81.07042	60.4
83.04968	13.6
83.08596	4.5
85.02886	33.2
85.06530	25.3
87.04455	2.5
91.05460	19.6
93.07017	20.1
95.04396	2.4
95.04951	28.8
95.08592	21.7
97.02898	12.6
97.06521	6.2
97.10146	2.2
99.04433	6.9
103.05437	1.9
105.07008	19.0
107.04931	6.0
107.08575	14.3
109.02858	49.1
109.06509	11.2
109.10123	19.8
111.04424	3.7
111.08027	2.2
113.06040	2.8
115.07555	4.1
115.22296	1.7
117.06994	7.1
119.08569	15.7
121.06491	7.2
121.10107	9.2
123.04406	51.1
123.08037	10.9
123.11680	5.5
124.67322	1.9
125.05966	5.4
125.09592	11.1
127.03900	8.0
128.06204	2.3
129.06984	7.1
131.08556	16.6
133.10086	18.8
135.08025	4.7
135.11670	5.7
137.05920	4.1
137.09596	8.2
139.03845	2.6
139.11137	6.5
141.09103	14.4
142.07730	4.5
143.08553	13.9
145.04967	3.1
145.10088	14.3
147.08023	7.0
147.11668	7.2
149.09628	6.2
149.13263	1.8
151.11192	9.1
153.09036	1.8
155.08521	5.0
156.09402	1.9
157.10100	29.7
159.08017	3.0
159.11652	10.9
161.09613	6.7
161.13229	2.6
163.11209	4.4
165.09088	88.3
165.12807	2.4
167.10635	9.6
169.10106	4.2
171.08191	1.6
171.11638	13.8
173.09671	1.7
173.11882	1.9
175.11090	2.0
179.10648	52.2
181.10037	3.8
181.12210	5.3
183.10182	3.2
183.11687	6.8
185.13220	5.9
187.11124	1.8
187.14801	2.1
190.22412	1.7
195.11647	3.2
196.12422	2.6
197.13268	3.3
209.11580	2.4
209.13344	2.3
211.14833	16.3
213.16341	60.9
217.15802	2.9
223.14923	3.1
225.16313	4.7
227.18056	3.8
229.15805	4.6
231.17432	2.4
237.16440	2.2
249.16347	3.8
251.17892	4.5
253.19582	7.8
255.17369	2.4
273.18484	4.0
279.20880	4.4
291.19504	6.7
297.22092	5.0
321.46176	1.6
343.14972	1.9
375.26816	10.4
393.27875	22.0
411.28949	11.9
477.28543	1.8
545.34631	4.5
555.32788	8.3
573.34125	100.0
574.34747	4.4
591.34991	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	591.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.01863	8.1
55.05499	7.8
57.03422	8.0
57.07063	4.1
61.02911	3.7
65.03935	2.7
67.05489	29.4
69.03417	18.7
69.07059	7.1
69.62132	8.7
71.04973	4.8
73.02886	1.6
79.05482	11.1
81.03403	8.1
81.07042	51.6
82.07376	1.5
83.04952	12.0
83.08606	3.9
85.02887	32.9
85.06525	22.8
87.04460	3.4
89.67424	1.1
91.03942	1.1
91.05462	13.1
93.07024	16.4
95.04948	25.9
95.08584	20.1
95.16538	1.1
97.02862	12.5
97.06507	4.4
97.10136	1.7
99.04439	7.0
99.08040	1.4
99.25113	1.1
105.07009	16.3
107.04935	4.3
107.08561	11.1
109.02858	52.6
109.06501	6.4
109.10137	20.2
111.04459	1.8
111.08026	2.6
113.05974	1.9
115.05364	1.4
115.07567	1.9
117.07024	6.3
119.08567	12.9
121.06495	7.2
121.10133	9.4
122.07280	1.3
123.04410	53.4
123.08053	10.2
123.11641	6.0
124.05221	2.0
125.05994	5.0
125.09622	12.9
127.03888	7.1
128.06194	1.9
129.06999	5.0
131.08542	18.1
133.06430	1.2
133.10112	16.4
135.08060	3.0
135.11703	2.8
137.05975	3.4
137.09590	9.0
139.03897	1.5
139.11154	6.8
141.07002	2.6
141.09082	15.5
142.07747	4.9
143.08556	12.5
145.04939	2.9
145.10100	16.0
147.08032	5.4
147.11685	9.1
149.09596	4.7
149.13222	1.6
151.11142	10.7
153.09081	2.2
155.08549	4.7
156.09293	1.7
157.10100	29.3
159.08026	1.8
159.11671	10.1
161.09612	4.8
161.13260	1.4
163.11168	3.1
165.09091	91.8
166.09442	1.7
167.08546	1.2
167.10686	9.7
169.10135	6.3
171.11650	13.0
173.09572	1.7
173.13150	2.6
175.11194	2.7
177.12671	1.1
179.10637	59.2
181.10034	2.3
181.12219	4.3
183.10168	3.1
183.11673	5.4
185.09480	1.2
185.13232	5.2
187.14819	2.4
193.12096	1.3
195.11716	3.3
196.12434	1.7
197.13176	2.5
198.14088	1.2
199.14777	1.4
209.13261	2.6
210.45038	1.2
211.14806	18.2
213.16342	53.9
215.18013	1.4
221.13177	1.2
223.14824	1.4
225.16281	3.3
227.12634	1.9
227.17914	3.8
229.15892	4.3
231.17339	3.3
235.14804	1.1
237.16360	4.3
246.15669	1.3
249.11128	1.2
249.16399	2.9
251.17903	5.0
253.19453	10.3
255.17436	1.7
269.18970	2.7
271.20560	4.2
273.18689	1.7
277.19339	1.2
279.21048	3.0
297.00510	1.1
297.22058	4.3
315.22949	1.2
375.26938	11.9
393.27798	26.6
411.28952	12.0
429.33789	2.6
477.28354	5.7
517.31458	1.7
545.34521	2.0
555.33337	6.1
573.34125	100.0
574.34363	5.4
591.35162	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	591.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14768	0.8
53.03939	2.4
55.01854	2.5
55.05488	3.8
56.96555	1.1
57.03435	4.2
61.02913	3.6
65.03951	1.0
67.05185	1.0
67.05502	9.5
68.01482	0.7
69.03421	15.0
69.07068	4.4
70.06593	1.4
71.04968	2.6
71.08622	1.5
71.70222	0.9
73.02896	1.7
79.05473	7.6
81.03407	9.8
81.07043	16.2
83.04959	5.4
83.08617	2.1
84.08136	1.1
85.02890	39.9
85.06515	2.0
86.06063	2.8
87.04453	2.2
87.06374	1.0
91.03948	2.0
91.05469	7.3
91.88596	0.8
92.97518	0.9
93.07034	11.6
95.04959	3.9
95.08600	8.7
96.08131	1.8
97.02884	13.7
97.03475	1.5
97.06524	1.2
98.09655	2.3
99.04447	2.9
101.05998	7.7
105.07016	14.4
107.04989	1.5
107.08583	15.5
109.02848	7.0
109.06515	2.1
109.10141	17.3
111.04407	2.1
111.08076	1.9
115.03932	1.2
116.10728	2.9
117.06992	3.7
117.11041	1.1
119.08566	8.2
121.10130	18.3
123.04397	1.5
123.08048	1.9
123.11684	2.9
127.03899	11.4
128.06190	1.7
129.05441	1.3
129.06999	6.1
130.06592	1.1
131.08546	13.3
133.10103	18.0
135.08049	1.0
135.11674	4.4
138.46942	0.8
139.03854	1.8
141.06964	1.9
141.09100	1.3
142.07758	6.5
142.08702	1.4
143.08551	9.0
145.04977	6.9
145.10103	13.0
146.05989	2.4
147.11664	24.1
149.13257	3.3
151.03838	1.7
151.07478	2.0
151.11197	1.4
155.08543	2.9
157.10103	51.4
158.08400	1.3
158.09573	1.9
159.11674	18.6
161.13274	4.0
163.06032	1.1
163.07501	0.8
165.09067	1.0
167.07086	1.0
169.10126	3.5
171.11649	9.4
173.13200	4.5
175.11188	2.5
181.10210	1.1
182.08380	1.0
183.11642	5.0
184.11209	2.6
185.13237	3.9
186.09204	1.9
188.10762	1.4
191.10718	1.0
195.11745	1.1
196.11104	1.4
197.13202	9.0
209.13368	1.6
211.14809	5.5
212.10681	2.1
213.13829	3.6
213.16153	0.8
214.18077	1.2
215.18259	1.2
224.15549	2.1
225.16415	3.5
226.06580	0.9
226.14383	3.5
227.14709	3.1
229.13405	4.4
238.17241	1.1
239.15527	0.9
241.08554	2.4
244.15419	12.6
245.15776	12.6
251.17911	3.3
253.19489	100.0
254.19849	3.0
255.21046	4.0
257.12756	4.5
269.19031	1.2
271.20520	44.5
275.13855	21.7
276.14233	1.0
284.10397	3.8
294.04858	0.8
307.26093	1.3
342.22693	1.4
343.23035	2.0
375.26697	1.1
393.27750	1.5
411.28708	1.6
429.11716	1.7
433.25803	29.3
456.74390	0.8
479.33725	0.9
493.21072	3.4
584.79169	1.0
591.35114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07287	0.7
53.03923	1.8
55.01847	3.0
55.05502	6.2
57.03419	3.6
57.07040	0.8
59.04980	1.2
61.02909	4.9
65.03911	0.7
67.05494	11.9
69.03418	16.4
69.07052	7.2
70.03246	3.9
70.06567	1.4
71.04976	2.6
71.08622	1.2
72.91478	0.8
73.02891	1.5
79.05482	9.3
81.03398	8.9
81.07041	24.7
83.04952	3.4
83.08601	2.1
85.02889	43.6
85.06522	4.4
86.06042	4.2
87.00809	1.9
87.04433	2.2
91.03931	1.3
91.05461	12.0
93.07030	15.0
95.04959	4.3
95.08586	16.2
97.02877	14.8
97.06499	1.9
97.10148	1.5
97.86756	0.8
98.09667	0.8
99.04430	2.7
99.08068	1.8
99.10008	0.9
101.05981	0.9
105.01853	1.0
105.07014	17.0
107.04933	3.4
107.07917	1.2
107.08580	16.3
109.02847	8.7
109.06480	2.4
109.10130	20.1
111.04418	2.1
111.08057	1.7
111.11676	2.2
115.05400	1.0
116.10701	4.8
117.06982	5.4
117.11042	1.4
119.08560	9.3
121.10123	18.4
123.04402	0.9
123.08089	1.2
123.11685	9.4
125.09586	1.7
127.03895	12.0
127.11179	1.6
128.06194	1.8
129.06972	5.2
131.08539	12.8
133.10103	19.2
135.08031	1.5
135.11658	6.5
136.24637	0.7
137.09576	1.0
137.13255	2.1
139.03854	1.0
141.06973	1.8
141.09103	1.2
142.07722	5.2
142.08690	1.5
143.08536	9.7
145.04942	8.9
145.10104	11.9
147.11656	23.7
149.09602	2.4
149.13208	4.2
151.03993	0.9
151.11131	2.0
153.09085	0.7
153.12686	2.8
155.08531	3.2
155.10652	0.9
157.10101	51.9
158.10437	1.8
159.10362	1.6
159.11656	20.2
161.09547	0.8
161.13217	3.5
163.06026	1.1
163.11160	1.8
165.09093	2.0
165.11299	0.8
165.12755	1.3
167.07156	0.9
167.10687	1.1
169.10101	2.8
171.11681	8.7
171.13799	0.9
173.13235	5.4
175.11136	1.2
177.12614	1.2
181.10075	0.9
183.11624	5.1
185.13225	4.2
187.14861	1.7
190.12213	1.0
193.10078	1.3
197.11571	1.1
197.13220	8.3
209.13390	1.6
211.14774	5.6
212.15408	0.7
213.16431	0.8
214.17937	2.2
215.18089	1.6
224.15656	2.1
225.16327	4.6
226.14311	3.2
227.14632	4.4
231.04897	0.9
238.17072	1.1
244.15451	10.2
245.15721	9.4
249.16483	1.0
251.17908	4.9
253.19475	100.0
254.19913	3.7
255.20984	3.2
265.19614	1.2
267.21030	0.9
269.18918	1.0
271.20520	51.5
272.20883	1.2
275.13803	2.0
277.25107	1.4
289.25189	1.6
295.26346	1.0
307.26309	7.5
313.21658	1.0
324.21912	1.0
325.22000	1.0
325.27185	1.7
342.22723	3.1
343.23029	6.4
343.27151	1.0
381.27689	1.0
393.27740	1.3
411.28540	1.4
429.29474	0.9
433.25772	28.3
434.26074	1.7
461.19287	0.8
493.21005	3.0
591.27216	1.1
591.35486	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	591.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01849	5.5
55.05495	8.6
57.03431	8.4
57.07051	4.8
61.02905	4.2
63.53862	1.2
65.03912	2.0
67.05136	1.8
67.05489	24.9
69.03409	20.9
69.07056	8.4
71.04963	3.7
73.02920	3.2
79.05476	9.3
81.03406	10.6
81.07040	48.0
82.07323	1.5
83.04967	9.2
83.08632	2.7
84.08131	1.5
85.02887	40.5
85.06522	21.5
87.04430	3.0
91.05456	14.1
93.07015	17.5
95.04951	19.7
95.08584	25.3
97.02878	12.9
97.06498	4.4
98.20708	4.4
99.04452	6.6
99.08076	2.2
101.05989	6.2
101.52354	1.4
103.29250	1.3
105.07007	15.7
107.08567	15.7
109.02855	47.9
109.06487	7.0
109.10146	29.5
111.04429	1.4
111.08057	1.3
111.11686	1.5
111.64465	1.2
115.05412	1.4
115.07584	2.3
117.06959	6.3
119.08550	12.4
121.06459	6.8
121.10122	11.8
123.04404	46.9
123.08037	8.2
123.11655	8.1
125.05939	3.0
125.09598	12.0
127.03896	11.5
128.06187	2.5
129.06984	4.8
131.08540	15.8
133.10091	15.5
135.08025	1.6
135.11661	6.1
137.05928	5.7
137.09601	8.1
139.07460	1.6
139.11140	6.2
141.09067	15.9
142.07715	3.3
143.08543	10.9
145.04924	6.3
145.10114	18.2
147.08000	5.3
147.11649	13.9
149.09584	2.0
149.13225	3.4
151.11168	10.7
153.09082	3.2
155.08495	3.3
157.08850	3.0
157.10095	37.9
159.11658	11.5
161.09583	3.3
161.13280	2.6
163.11174	3.4
163.14801	1.7
165.09088	94.0
167.10645	8.0
169.10081	4.5
171.11658	13.6
173.13196	4.0
175.11101	2.5
179.10643	56.6
181.10156	1.7
181.12172	4.4
182.10828	2.4
183.10159	3.9
183.11674	6.4
185.13229	5.1
187.14766	2.3
195.11566	3.3
196.12546	1.9
197.13220	4.9
209.13177	3.4
211.14784	15.9
213.16351	53.3
223.14699	1.7
225.16417	2.9
229.15819	4.6
229.19588	2.3
229.75140	1.8
231.17358	4.0
237.16298	4.7
249.16380	3.8
251.17938	7.4
253.19476	40.3
255.17259	2.9
267.17337	2.8
269.18958	2.8
271.20520	19.2
279.20871	2.8
297.22046	4.5
307.26236	3.8
318.23700	1.4
375.26697	13.1
391.90158	1.6
393.27814	23.9
411.28928	12.9
429.29855	3.9
433.25842	11.3
477.28394	4.1
545.34918	2.3
555.32678	6.0
573.34131	100.0
574.34351	3.9
591.35107	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89158	0.3
53.03928	1.4
55.01866	2.2
55.05500	2.3
57.03421	2.9
57.07042	0.3
59.04983	0.4
61.02913	4.2
65.03929	0.8
67.05491	8.7
67.91155	0.3
68.99772	0.3
69.03416	14.2
69.07044	2.4
71.04979	2.8
71.70502	0.6
73.02901	2.0
79.05018	0.4
79.05478	7.1
80.05006	0.4
81.03403	6.4
81.07040	12.3
83.01322	0.6
83.04959	1.7
83.08603	1.6
85.02887	38.7
85.06533	0.5
87.00812	0.4
87.04472	2.1
91.03924	1.9
91.05463	8.6
93.07025	10.3
95.04961	2.6
95.08588	7.7
96.04470	0.8
97.02870	13.2
97.06508	2.2
97.10130	0.6
98.03208	0.4
99.04440	2.8
101.02386	0.4
103.05444	0.3
105.07005	12.9
107.04917	0.8
107.08566	13.3
109.02856	5.5
109.06503	4.7
109.10131	14.0
111.04426	1.8
111.08080	0.7
111.11699	0.7
113.05997	0.7
115.05435	0.8
117.06998	3.6
119.08558	8.2
121.06500	1.1
121.10121	14.9
123.04430	0.9
123.08018	0.8
123.11670	3.4
124.03926	0.4
127.03894	9.8
127.04840	0.5
127.07529	0.4
128.06140	1.7
129.05466	3.7
129.06972	6.0
130.07785	0.6
131.08537	12.8
133.10106	16.4
135.08090	0.3
135.11668	3.2
137.06010	0.7
137.09615	0.9
139.03897	1.2
141.06940	2.0
141.09058	1.6
142.07748	7.2
143.08527	9.2
144.06502	0.7
144.09279	0.8
145.04926	6.4
145.08997	0.3
145.10088	12.7
147.11653	21.5
148.11911	0.3
149.09604	0.5
149.13249	2.0
151.07503	0.6
151.11101	0.5
153.01778	1.5
155.08490	3.4
156.09334	0.7
157.10095	48.8
158.10455	0.5
159.11667	19.4
161.09738	0.7
161.13239	3.3
163.03911	0.6
163.06004	0.9
163.11156	0.7
163.14821	0.8
165.09100	1.4
168.09354	0.4
169.10115	3.2
170.35403	0.4
171.11658	9.3
173.13217	5.1
175.11150	2.1
177.12796	0.5
179.10660	0.8
181.10097	0.8
182.10909	0.8
183.11676	5.0
185.13210	3.5
187.14845	1.0
193.10162	0.5
195.11667	0.5
196.12428	0.7
197.13220	7.9
198.13857	0.7
198.18475	0.4
199.14726	1.6
209.13240	1.5
211.14757	5.1
212.15498	0.8
213.16409	0.9
223.14760	1.2
224.15561	1.6
225.16325	4.0
236.42564	0.3
238.17128	1.2
245.18921	0.4
251.17905	3.2
253.19467	100.0
254.19809	3.5
255.21017	2.4
265.19547	0.6
269.19070	0.9
271.20508	43.9
272.20825	0.8
273.03928	1.4
283.24225	1.0
289.19580	0.5
289.25360	0.4
290.21310	0.4
291.21307	0.7
295.20551	0.5
301.06955	0.6
303.04785	0.7
305.22504	0.9
306.20584	1.1
307.20840	2.5
307.26355	0.7
324.21634	0.9
325.21805	2.2
326.23068	1.1
327.23346	0.4
342.22876	1.8
343.22974	2.6
344.24109	0.9
375.26596	0.8
393.27777	3.0
397.23450	0.5
411.29016	1.6
415.24667	1.3
429.11407	0.6
429.29919	0.9
433.25775	20.2
434.25943	1.1
573.26215	0.4
573.34186	5.0
591.26550	0.4
591.35303	6.5
592.35425	0.5
593.33252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01847	1.9
55.05499	4.6
57.03430	4.5
59.04974	0.7
61.02914	4.3
61.90153	0.5
65.03941	0.9
67.05494	8.9
68.69278	0.5
69.03416	15.1
69.07047	3.8
70.06567	0.7
70.33798	2.5
71.04971	2.6
73.02880	1.8
73.06526	1.5
75.04454	1.7
79.05476	7.2
81.02955	0.5
81.03412	7.1
81.07039	14.7
83.01321	0.8
83.04964	5.1
83.08597	1.7
85.02889	45.1
85.06521	0.9
87.00803	1.1
87.04443	2.6
91.03925	2.2
91.05459	9.0
93.07027	11.0
95.04951	2.8
95.08006	0.6
95.08591	9.7
97.02875	14.7
97.06548	1.1
97.10137	0.9
99.04450	3.6
101.06002	11.7
103.05382	0.5
105.01830	0.7
105.07010	14.5
107.04933	1.0
107.08572	15.4
109.02866	5.4
109.06490	4.3
109.10136	16.8
111.11658	0.9
115.05415	1.0
117.06980	4.2
119.08559	7.9
119.09383	0.7
121.06485	2.1
121.10126	15.0
123.04398	2.3
123.08051	2.4
123.11689	5.3
124.03883	0.5
126.05637	0.6
127.03899	11.8
128.06192	1.6
129.06976	4.5
131.04868	0.7
131.08540	11.8
133.10104	16.2
135.07971	0.7
135.11708	4.7
137.05940	4.3
137.09575	0.8
139.11159	1.7
141.06979	2.1
141.09067	1.1
142.07756	5.7
143.08549	9.6
144.09204	0.7
145.04922	7.9
145.06172	0.6
145.08971	0.8
145.10100	14.1
147.11658	22.8
149.05904	0.6
149.09612	0.7
149.13225	3.1
151.03844	0.6
151.11090	1.2
153.01845	0.7
153.12669	1.3
155.08511	3.4
157.10097	54.0
158.10437	0.9
159.11678	19.5
161.09550	0.5
161.13232	3.6
163.05890	0.8
163.07513	0.6
163.11166	0.6
163.14839	0.8
168.09344	0.8
169.10120	4.1
171.11647	9.8
173.13240	5.2
175.11163	1.9
175.14764	0.7
177.09100	0.8
177.12762	0.6
179.10628	0.7
181.10056	1.0
182.10870	0.9
183.08028	0.5
183.11662	5.8
185.13249	3.0
187.14799	1.4
195.11646	1.1
196.12358	0.8
197.13217	8.5
198.13905	0.6
199.14801	1.3
209.13225	0.9
210.13850	0.8
211.14798	6.8
212.15404	0.6
213.16402	1.4
215.17981	0.7
223.14864	0.7
224.15526	2.5
224.44066	0.5
225.16351	3.4
227.17958	0.9
229.19431	0.5
238.17091	1.1
251.17920	3.5
253.19475	100.0
254.19774	3.6
255.21097	3.8
265.19485	0.8
271.20520	40.1
272.20844	1.2
277.19495	0.6
289.25320	0.8
307.20865	1.3
307.26315	1.8
319.24301	0.8
324.21606	1.3
325.21967	2.3
325.27347	0.8
335.23410	0.6
337.25128	1.8
342.22995	0.6
343.23044	1.3
385.09058	2.0
393.27795	2.3
399.83380	0.6
411.28781	2.3
415.24597	1.0
429.11688	1.4
433.25790	31.4
434.26114	1.4
481.97711	0.5
515.29840	1.7
535.17889	0.5
573.34497	3.7
591.35413	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	591.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83569	0.9
53.03930	2.8
55.01852	2.1
55.05505	5.7
57.03419	2.8
57.07059	1.2
59.05001	1.0
60.04249	1.1
61.02928	5.6
67.05490	12.8
68.99757	0.9
69.03419	17.3
69.07047	6.9
69.39882	0.9
70.42791	3.3
71.04965	3.6
71.08627	1.0
71.18838	1.0
73.02902	2.9
79.05474	8.4
81.03416	7.7
81.07043	23.3
83.01299	1.5
83.04955	3.8
83.08609	2.0
85.02892	47.5
85.06536	5.4
86.06043	2.2
87.00782	1.8
87.04433	1.8
91.03928	1.7
91.05473	10.9
93.07034	14.3
93.13041	1.0
95.04957	5.2
95.08592	18.7
95.09187	1.2
97.02879	14.5
97.06507	2.5
97.10164	1.2
98.09682	1.9
99.04426	4.0
99.08073	2.1
101.06018	1.5
101.99618	0.8
105.07014	16.6
107.04920	2.2
107.08579	17.0
109.02885	6.7
109.06485	1.4
109.10136	19.1
111.04399	1.5
111.08089	2.2
111.11639	1.7
115.05387	1.6
116.10713	4.1
117.07014	5.4
119.08547	11.0
121.10131	16.8
123.08112	1.2
123.11693	6.1
127.03899	12.6
129.06960	6.7
130.07782	1.0
131.08543	14.6
133.10110	21.4
135.08018	1.1
135.11671	6.2
137.09618	1.6
137.13239	1.8
141.06990	1.6
142.07729	7.2
142.08667	1.1
143.08556	11.6
143.10773	1.1
144.09308	1.4
145.04945	7.3
145.10109	15.0
147.11661	24.8
149.09592	2.9
149.13245	4.2
151.11125	1.8
153.12755	3.7
155.08583	4.8
155.10571	1.0
157.10101	51.9
159.11671	20.0
161.13231	4.2
162.71707	1.2
165.09138	1.2
167.10641	1.1
169.10138	4.8
171.11673	9.8
173.13289	5.0
175.11148	3.0
175.14665	1.0
183.10234	1.2
183.11697	6.3
185.13232	4.7
196.12440	1.5
197.13284	8.6
199.14897	2.4
211.14738	4.8
214.18001	1.6
224.15527	1.8
225.16347	4.2
226.14325	2.8
227.14590	1.9
227.17752	1.0
238.17178	1.5
244.15428	9.3
245.15790	7.5
251.17873	3.7
253.19487	100.0
254.19778	3.3
255.21043	4.2
265.19501	1.7
271.20544	45.3
277.25186	1.6
289.25345	2.2
295.26205	1.6
307.26215	8.3
325.27386	3.2
342.22845	2.9
343.22922	5.6
363.26663	2.2
381.27835	1.4
393.27942	1.3
411.29099	1.2
433.25790	29.9
433.34802	1.2
493.20834	3.3
591.35291	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	591.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.0
55.01854	1.7
55.05503	16.8
57.03431	12.5
57.06798	3.0
57.07063	48.0
62.94678	1.6
65.03943	3.7
67.05489	82.9
69.07053	19.5
70.00896	9.8
71.04967	3.1
71.08249	2.2
71.08618	29.6
73.19954	1.5
79.05476	42.2
81.07038	84.2
83.08607	15.9
85.10173	14.9
89.82163	1.6
91.04927	2.0
91.05456	24.9
93.07028	54.3
95.04956	3.2
95.08588	69.9
97.06512	1.8
97.10133	7.7
98.21376	1.9
103.07608	2.0
105.06995	20.6
107.07907	2.8
107.08578	34.9
109.06503	2.0
109.10136	31.3
117.06993	7.2
119.08550	13.3
121.10120	26.3
123.11697	12.1
131.08536	19.3
133.10089	14.0
135.11659	18.5
136.80225	1.6
137.13231	5.7
139.11127	1.6
145.10089	12.6
147.11674	8.1
149.13261	14.0
151.14835	1.9
159.11668	9.0
161.13234	5.7
161.19392	1.5
163.14772	7.3
173.13243	8.4
175.14807	4.6
177.16368	2.3
187.14819	5.5
233.22575	2.1
239.23634	6.1
243.21049	11.9
261.22095	64.7
279.23135	3.0
310.88577	1.6
313.27316	100.0
314.27560	2.0
317.24744	12.1
335.25745	65.8
335.29761	3.7
336.26208	1.7
573.48627	21.0
591.49677	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	592.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70716	1.2
53.03922	1.6
55.01859	2.1
55.05493	4.3
56.05013	2.3
57.03410	1.8
57.07074	1.4
60.04501	1.5
67.05499	13.2
68.02760	1.1
68.10557	1.5
69.03410	4.9
69.07047	4.9
69.89745	9.2
71.04962	4.1
71.08624	1.3
73.68638	1.5
79.05476	17.1
80.04996	3.8
81.03396	4.3
81.07043	16.3
81.75487	1.2
82.06581	2.4
83.04961	2.7
83.08588	3.8
85.02885	2.9
87.04443	2.3
91.05458	5.8
93.07024	24.2
94.06548	15.0
95.04945	5.5
95.08595	19.3
96.08103	2.6
97.06507	6.2
97.10146	1.8
102.51971	1.3
105.07014	12.4
107.07296	3.1
107.08532	3.7
109.06464	1.3
109.10143	2.5
110.09665	12.5
111.08057	12.8
121.10165	2.5
122.09637	32.7
123.08048	27.3
125.10417	1.3
128.10701	29.7
131.08562	1.6
135.11693	1.5
135.19511	1.2
137.05956	1.2
140.10675	100.0
141.09062	12.3
145.10130	1.4
155.08470	1.4
158.11688	6.6
160.16554	1.8
200.81783	1.4
272.25705	7.6
277.71576	1.2
364.32129	1.9
382.33121	8.0
394.33127	21.2
395.27979	1.7
412.34119	53.6
439.30463	1.4
443.22318	1.4
593.32855	2.5
618.74921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1491
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
50.72004	0.2
53.03936	1.5
53.46298	0.2
55.01842	0.4
57.03412	0.6
61.02900	0.5
63.71049	0.2
67.05467	0.3
68.99774	0.6
69.03416	4.7
69.50439	0.8
69.50871	1.3
71.04972	1.0
73.02891	1.1
81.02945	0.4
81.03403	5.8
83.04949	0.3
85.02888	12.5
87.04445	0.4
94.06508	0.2
95.08580	0.4
97.02876	8.9
99.04436	9.6
103.03245	0.5
103.03922	9.2
104.04192	0.2
105.03394	0.4
107.04970	0.3
109.02856	5.4
111.00780	0.7
115.03898	0.3
119.08534	0.3
121.02854	2.7
127.03896	18.7
133.02835	0.3
137.02286	1.0
145.04930	7.5
147.04373	0.6
151.03827	0.2
153.01799	3.3
157.06476	0.3
161.06001	0.2
163.06033	1.3
165.01808	1.5
169.04973	0.3
171.04317	0.3
175.03790	0.2
182.74716	0.2
183.02859	1.1
185.05962	0.5
187.06009	1.6
189.05331	0.2
197.05904	0.3
205.06993	0.2
213.05406	1.1
229.04958	0.2
231.06461	0.6
241.04916	0.9
253.19531	0.2
258.05301	1.2
259.06018	0.5
271.08136	0.9
271.20480	0.4
287.05447	100.0
288.05753	2.7
289.09277	0.3
296.22018	0.3
297.22635	0.4
298.68433	0.2
299.05328	0.4
308.22141	0.8
309.22464	0.7
311.05347	0.7
323.82941	0.2
325.06906	0.3
329.06497	2.6
344.24210	0.7
345.24631	1.0
353.06219	0.3
377.06653	0.3
395.07516	0.7
593.29211	0.3
604.03076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01843	0.4
55.05513	0.3
56.69682	0.2
57.03434	0.8
60.36555	0.2
61.02902	0.6
68.99779	0.6
69.03423	4.1
69.76804	0.3
69.77209	1.0
71.01310	0.2
71.04984	1.3
73.02921	1.2
81.02946	0.4
81.03405	5.8
81.07074	0.2
83.01318	0.2
83.04958	0.4
85.02890	11.5
87.04453	0.3
91.03938	0.2
97.02880	7.9
99.04441	9.1
103.03923	8.9
103.60911	0.2
105.03391	0.3
107.04936	0.5
109.02171	0.4
109.02864	5.3
111.00774	0.4
111.04414	0.4
115.03909	0.3
121.02848	2.1
127.03896	18.0
133.02841	0.4
135.04475	0.2
135.08051	0.2
137.02341	0.9
139.03825	0.3
145.04935	6.5
147.04402	0.8
151.03929	0.2
153.01801	3.5
157.06451	0.4
163.05994	1.0
165.01817	1.9
169.04936	0.3
171.04378	0.3
179.03323	0.2
179.19171	0.2
179.67082	0.2
181.06531	0.2
183.02869	0.9
185.05937	0.6
187.06020	1.7
199.05968	0.4
205.07089	0.3
213.05400	1.4
215.91609	0.2
231.06482	0.7
241.04990	0.9
258.05194	1.0
259.05988	0.4
269.04459	0.2
271.08130	0.8
287.05450	100.0
288.05798	2.7
299.05386	0.3
311.05380	0.5
325.30505	0.2
329.06519	2.0
332.53815	0.2
353.06378	0.4
395.07483	0.6
431.09207	0.3
478.16489	0.2
593.20386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86969	0.7
69.88524	1.8
69.88956	3.0
119.49809	0.7
181.74158	0.7
188.47005	0.7
303.99045	0.7
320.82877	0.8
347.64050	0.7
388.16724	1.3
389.17450	1.5
394.25336	0.7
402.18839	0.9
403.19177	4.5
404.19861	1.7
405.20590	2.7
415.19580	1.0
416.20126	1.5
417.16071	1.3
417.21408	4.3
418.21384	3.2
419.22177	4.3
430.17395	1.5
431.18237	13.3
432.19162	2.7
432.23944	2.1
433.18896	1.2
433.23972	13.3
434.24457	2.8
445.19925	15.1
446.20459	8.8
447.21625	7.4
448.23059	1.0
449.23199	0.9
459.21204	4.9
460.22504	24.4
461.23169	25.3
462.24432	1.6
463.21182	1.2
473.23599	4.3
474.24036	2.2
476.25793	3.5
477.27060	1.2
487.25110	2.1
488.25476	1.5
489.26685	1.1
491.24368	1.3
492.24927	2.1
505.21762	10.5
518.23169	1.8
519.24377	1.4
533.25403	76.9
534.25623	7.2
547.26929	1.0
565.27411	1.7
593.27472	100.0
594.27802	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	593.2746
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
64.53455	0.4
67.14944	0.4
68.89994	0.4
69.54414	3.2
98.20689	0.6
98.21283	1.4
116.02006	0.4
139.83467	0.5
149.02580	0.4
195.78873	0.4
209.10786	0.5
237.13957	0.5
337.92108	0.4
357.16098	0.5
388.16681	0.6
389.17792	2.3
396.93457	0.4
401.17996	0.8
402.18295	1.7
403.19116	4.6
404.20047	2.1
405.20746	2.8
415.19525	0.9
416.20340	1.2
417.16202	1.2
417.21426	4.9
418.21802	3.4
419.22360	6.6
430.17505	2.0
431.18146	12.4
432.18427	3.8
433.18997	0.6
433.24057	9.3
434.24927	2.5
445.19870	14.5
446.20633	6.8
447.21671	8.3
449.23514	0.6
459.21323	4.7
460.22476	18.0
461.23291	15.2
462.24033	0.9
463.21011	0.5
473.23599	2.8
474.23880	1.5
476.25485	1.5
477.22629	0.9
487.25089	1.2
489.26855	0.9
491.24368	1.3
492.25180	2.0
493.25259	0.5
505.21951	8.6
515.25189	0.6
518.22968	0.8
519.23901	1.4
533.25433	35.4
534.25873	2.5
546.55835	0.4
549.21558	0.6
561.24768	0.7
565.27887	0.9
593.27478	100.0
594.27686	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	593.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
54.07993	3.2
55.01862	5.9
55.05494	12.1
57.03420	6.6
57.07063	6.1
61.02919	3.5
67.05494	31.2
69.03396	19.6
69.07053	30.3
69.41768	12.1
69.42187	30.0
70.06570	6.6
70.85059	3.3
71.05000	19.0
71.08586	3.9
79.05469	16.5
81.03394	14.7
81.07038	100.0
82.13336	3.2
83.04950	6.2
83.08590	14.6
85.02893	51.9
85.06534	8.9
87.00819	15.0
91.05455	10.9
93.07038	30.0
95.04957	7.7
95.08593	93.5
96.08885	4.3
97.02877	16.8
97.06545	4.0
97.10123	7.8
99.04446	7.4
99.08092	4.0
105.01819	14.8
105.07011	12.7
107.08585	31.6
109.02848	10.0
109.06512	8.0
109.10126	62.5
111.08072	6.3
111.11678	7.0
119.08544	13.5
121.10128	25.5
123.04416	6.0
123.11662	42.9
127.03881	20.9
127.11169	10.0
131.08524	5.6
133.10129	11.5
135.11664	19.2
137.05963	5.5
137.13191	25.7
139.11160	4.5
143.08583	5.2
145.04968	7.1
145.10072	8.9
146.99670	4.1
147.11694	16.3
149.13216	21.4
151.14781	12.4
153.12698	6.7
155.14304	6.7
157.10118	16.8
158.10471	4.1
159.11685	12.3
161.13199	6.3
163.03793	4.5
163.14822	14.5
169.75636	4.0
173.13173	6.6
177.16362	10.1
178.53271	3.8
179.03175	3.8
191.17891	5.7
205.19501	4.4
231.04890	4.8
253.19420	21.7
254.19722	10.5
255.20134	5.8
271.20486	26.1
272.20743	8.7
273.25748	12.4
279.26663	9.4
291.26755	30.6
309.27762	16.2
327.28519	4.4
328.24957	4.6
346.25882	6.2
410.75708	3.8
411.28745	10.2
429.30112	8.9
435.26596	4.8
467.00229	4.6
560.64874	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.5
53.03936	3.0
55.01865	7.8
55.05504	11.7
57.03412	10.6
57.07058	3.0
61.02901	5.1
65.03926	2.5
67.05493	31.3
69.03411	15.9
69.07062	11.2
70.33069	1.4
71.04967	5.1
73.02915	2.3
79.05476	24.1
81.03397	20.0
81.06554	1.5
81.07037	36.5
83.04961	6.5
83.08582	6.7
85.02890	45.5
85.06523	16.6
86.78075	1.5
87.04451	1.7
91.05447	26.4
93.07027	19.6
95.04948	17.7
95.08584	19.2
97.02880	14.3
97.06490	5.3
97.10139	6.7
99.04410	2.2
99.08048	2.8
105.07006	25.4
107.04926	9.3
107.08566	20.0
109.02859	6.0
109.06513	11.1
109.10141	20.4
111.04413	5.6
111.08050	4.4
111.57050	1.2
113.05979	12.2
115.03852	1.4
115.05396	1.7
117.07011	10.0
119.08549	21.6
121.06488	4.8
121.10115	23.7
123.04380	2.7
123.08043	8.5
123.11662	3.4
125.09580	4.4
127.03868	13.3
128.06169	2.7
129.05473	1.4
129.06973	8.6
131.06982	2.6
131.08546	18.6
133.10095	24.8
135.04399	2.5
135.08014	4.3
135.11691	7.7
137.09668	1.9
139.03883	3.5
141.06932	2.1
142.07758	6.0
143.08528	10.8
143.10626	3.3
145.04974	7.2
145.10100	22.4
147.08034	3.3
147.11659	26.6
149.09590	5.5
149.13217	4.8
153.12796	1.9
155.08511	6.1
157.10089	48.7
158.41824	1.3
159.11674	23.4
161.09570	2.2
161.13260	8.9
163.11142	5.9
165.09018	1.6
165.12769	1.6
169.10101	4.0
171.11642	13.1
173.09563	1.8
173.13223	7.3
175.11157	5.0
175.14696	2.7
181.12178	2.9
182.10947	1.5
183.11668	5.9
185.13219	5.1
187.14766	2.9
189.11160	6.2
189.12688	1.6
190.71544	1.4
191.10658	2.1
193.12170	8.1
197.13200	10.2
199.14764	2.6
202.29324	1.3
211.13103	7.5
211.14847	5.9
213.16409	2.2
217.15872	2.7
224.15536	2.1
225.16287	3.8
227.12686	4.3
238.17097	2.0
241.19400	1.9
251.17853	2.2
253.19464	100.0
255.21025	3.7
259.20590	1.8
267.15799	2.8
269.19247	1.5
271.20508	42.4
272.20908	1.4
273.18491	6.7
275.20206	3.6
283.24048	2.2
285.16864	5.0
291.19522	15.2
299.39279	1.5
333.24109	16.5
347.22195	1.9
365.23126	3.7
395.29297	4.3
413.30551	5.1
431.31458	4.0
433.25739	38.8
517.31598	11.8
557.35596	2.0
575.27014	2.8
575.35632	44.7
576.36145	2.0
593.37140	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	593.3704
Annotation	(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.02384	1.5
53.03940	2.6
55.01863	3.7
55.05499	3.7
57.03421	4.8
57.07057	2.9
61.02917	5.2
65.03900	1.5
66.54442	1.0
67.05492	19.7
69.03416	14.1
69.07059	6.4
70.07138	2.4
70.07555	3.4
71.04980	4.1
73.02907	1.3
76.79893	1.2
79.05486	7.2
81.03411	5.7
81.06596	2.1
81.07045	20.4
82.56605	1.0
83.04989	2.9
83.08608	2.7
85.02894	35.9
85.06533	13.3
87.04449	1.8
91.05447	9.5
93.07040	16.5
95.04961	8.8
95.08586	15.9
97.02885	12.7
97.06561	2.1
97.10206	1.0
99.04461	2.5
105.07022	15.0
107.08574	18.7
109.02872	5.1
109.06493	3.8
109.10138	18.5
110.10419	1.2
111.08059	2.0
113.05991	8.4
113.09576	1.1
113.83582	1.2
117.07005	4.4
119.08560	11.1
121.10123	25.7
123.04420	1.6
123.08035	3.6
123.11694	5.6
125.09599	1.4
127.03885	8.3
128.06210	2.6
129.06981	3.9
131.08543	13.7
133.10100	21.4
135.11705	6.2
137.09596	1.4
141.06953	2.8
141.09035	1.0
142.07732	5.2
143.08553	12.0
143.10683	2.5
145.04944	8.1
145.10092	16.7
145.11179	1.1
147.11656	26.4
149.09601	2.0
149.13258	6.6
151.11110	1.4
154.05829	1.1
155.08542	4.8
157.10101	61.3
158.10405	1.6
159.11679	25.5
161.09656	1.6
161.13249	4.7
163.11089	2.4
167.10767	1.6
169.10091	3.4
171.11644	15.1
173.13223	6.9
175.11150	7.8
175.14758	1.2
177.12671	2.1
179.17065	1.2
182.11006	1.6
183.11652	6.1
184.06987	1.1
185.13226	6.5
187.14758	1.8
197.13266	11.1
199.14757	3.2
209.13306	1.4
211.14738	7.9
213.16447	2.4
223.14899	2.7
224.15602	1.7
225.16296	6.0
239.17906	1.2
251.18059	1.4
253.19479	100.0
254.19943	3.1
255.20908	2.2
269.18597	1.1
271.20523	93.9
272.20877	2.7
279.20679	1.2
279.26538	1.7
283.24240	2.3
291.26703	2.2
309.27753	1.5
311.82184	1.1
355.26303	10.2
377.28192	2.3
395.29373	6.2
397.31027	1.2
411.28430	1.3
413.30466	51.1
431.31549	42.3
433.25763	18.2
447.53061	1.1
511.60403	1.2
517.31525	7.9
575.35736	22.7
593.36517	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73626	0.7
53.03939	2.5
55.01858	4.0
55.05496	3.0
57.03426	5.3
57.07062	2.3
58.20363	0.8
61.02921	4.4
64.43845	0.8
65.03939	1.1
67.05491	20.8
67.40572	0.7
69.03416	15.0
69.07069	3.7
70.67484	2.3
70.67824	0.9
71.04984	4.5
73.02905	2.3
74.56580	0.7
77.35218	0.8
79.05476	8.2
80.05819	0.8
81.03407	6.0
81.07039	17.9
82.07382	1.0
83.04975	2.0
83.08597	1.2
85.02891	44.3
85.06528	14.9
86.03213	0.9
87.04461	3.0
91.03936	1.8
91.05457	10.5
93.07017	13.2
95.04953	8.2
95.08576	10.4
97.02868	15.5
97.06506	1.6
97.10133	1.3
99.04431	3.7
100.07570	1.0
103.03907	1.3
105.07014	13.3
107.04972	1.3
107.08575	15.5
109.02853	7.5
109.06508	3.5
109.10132	17.7
109.62077	0.8
111.08028	0.9
113.05973	7.0
115.03900	0.9
115.05441	0.7
115.07546	1.7
115.68767	0.7
117.06998	5.5
119.08565	9.6
121.06538	1.0
121.10126	16.1
123.04416	3.7
123.08064	2.8
123.11665	5.0
125.09629	2.1
127.03887	11.7
128.06227	1.9
129.06952	6.4
130.07745	0.7
131.07028	1.4
131.08536	15.8
133.10101	18.7
135.08099	0.9
135.11670	4.5
136.47144	0.7
137.09612	1.1
141.06946	1.9
141.09084	1.5
142.07718	5.9
143.08537	12.5
143.10632	3.0
145.04961	8.4
145.10101	16.1
147.11668	24.7
149.09579	1.7
149.13278	3.7
151.11154	1.2
155.08519	4.2
157.10097	55.4
158.10483	1.7
159.11673	22.4
161.09573	1.1
161.13211	4.7
163.03920	1.1
163.05974	1.0
163.11227	1.2
163.14871	1.2
165.09084	4.4
166.09485	2.1
167.10707	1.5
169.10089	3.9
171.11662	13.3
173.13211	8.5
175.11159	2.5
177.12656	1.2
179.03308	0.9
179.10652	2.2
180.10939	1.4
183.11652	6.3
185.13228	5.3
187.14803	1.4
195.11681	1.6
197.13197	8.9
199.14780	2.2
209.13176	1.5
211.14774	7.1
213.16359	4.2
214.16695	1.2
215.14461	0.8
223.14848	1.5
224.15611	2.0
225.16414	3.6
229.15680	1.0
238.17162	1.4
239.17860	1.0
251.18015	3.6
253.19472	100.0
254.19994	1.6
255.21059	3.4
265.19501	1.0
271.20523	45.4
272.20630	0.9
283.24139	2.2
304.13730	0.8
327.04919	0.9
377.28177	2.5
395.29382	6.4
413.30606	4.0
415.24683	0.9
418.65759	0.9
431.31674	2.0
433.25803	39.3
446.19449	0.8
517.31543	14.3
557.34259	1.0
575.35565	50.6
576.35248	1.1
593.29028	1.1
593.36847	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	593.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01854	3.7
55.05501	3.6
57.03428	5.9
57.07053	2.6
61.02922	4.8
65.03908	1.5
65.12863	0.9
67.05492	19.5
69.03421	14.2
69.07063	5.5
70.06577	1.3
71.04983	3.7
71.20293	2.6
71.41521	1.0
73.02905	2.0
79.05479	7.7
81.03425	7.0
81.07046	19.3
83.04974	3.1
83.08617	2.4
85.02892	45.2
85.06524	13.3
87.00823	1.1
87.04489	1.5
91.03946	1.8
91.05424	9.5
91.10100	1.0
93.07030	11.9
95.04948	8.0
95.08595	14.2
97.02879	14.1
97.06516	1.6
97.10160	1.7
99.04450	2.7
103.05424	0.9
105.07008	15.1
107.04920	1.6
107.08571	14.9
109.02863	7.3
109.06504	4.7
109.10141	15.6
111.08068	1.3
113.05997	9.7
115.05437	1.6
115.07547	1.2
115.98898	0.9
117.07017	3.8
119.08568	8.5
121.10131	18.2
121.98696	1.0
123.04418	4.2
123.08036	2.3
123.11706	4.1
125.09612	2.9
126.09942	1.0
127.03894	10.7
128.06226	1.9
129.06963	5.4
131.07037	1.4
131.08548	13.1
132.85019	0.9
133.10110	19.8
135.08060	0.9
135.11664	5.0
137.05983	1.2
141.06970	2.4
141.09106	1.9
142.07729	6.6
143.08545	9.6
143.10657	3.0
145.04913	6.9
145.10091	15.6
147.08037	1.0
147.11673	24.6
149.09607	1.7
149.13284	4.1
151.11147	2.2
155.08557	4.1
157.10109	50.5
158.10487	1.6
159.10390	1.3
159.11685	19.6
161.09619	1.3
161.13242	4.8
163.05917	1.2
163.11246	1.3
165.09093	5.3
166.09489	2.5
167.10696	1.2
169.10098	3.0
169.12196	1.2
171.11690	11.3
173.13255	5.8
175.11191	2.0
179.10655	2.6
180.11031	2.5
183.11649	6.2
185.13243	6.7
187.14882	2.1
195.11610	1.2
197.13272	8.4
199.14799	2.6
211.14758	6.1
212.15479	1.2
213.16402	3.7
214.16806	1.2
215.17128	1.0
223.14847	1.3
224.15530	1.2
225.16354	3.9
238.45146	1.0
249.16298	0.9
251.17928	2.5
253.19481	100.0
254.20058	2.2
255.21031	2.6
271.20517	42.1
275.19949	1.1
283.24268	2.3
377.28214	1.5
395.29468	7.4
413.30350	3.0
431.31308	3.6
433.25793	37.5
434.25821	1.0
473.82538	1.0
517.31458	11.0
575.35577	48.0
593.27765	1.0
593.36780	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	593.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
53.03940	2.6
55.01863	3.7
55.05499	3.7
57.03421	4.8
57.07057	2.9
61.02917	5.2
65.03900	1.5
66.54442	1.0
67.05492	19.7
69.03416	14.1
69.07059	6.4
70.07138	2.4
70.07555	3.4
71.04980	4.1
73.02907	1.3
76.79893	1.2
79.05486	7.2
81.03411	5.7
81.06596	2.1
81.07045	20.4
82.56605	1.0
83.04989	2.9
83.08608	2.7
85.02894	35.9
85.06533	13.3
87.04449	1.8
91.05447	9.5
93.07040	16.5
95.04961	8.8
95.08586	15.9
97.02885	12.7
97.06561	2.1
97.10206	1.0
99.04461	2.5
105.07022	15.0
107.08574	18.7
109.02872	5.1
109.06493	3.8
109.10138	18.5
110.10419	1.2
111.08059	2.0
113.05991	8.4
113.09576	1.1
113.83582	1.2
117.07005	4.4
119.08560	11.1
121.10123	25.7
123.04420	1.6
123.08035	3.6
123.11694	5.6
125.09599	1.4
127.03885	8.3
128.06210	2.6
129.06981	3.9
131.08543	13.7
133.10100	21.4
135.11705	6.2
137.09596	1.4
141.06953	2.8
141.09035	1.0
142.07732	5.2
143.08553	12.0
143.10683	2.5
145.04944	8.1
145.10092	16.7
145.11179	1.1
147.11656	26.4
149.09601	2.0
149.13258	6.6
151.11110	1.4
154.05829	1.1
155.08542	4.8
157.10101	61.3
158.10405	1.6
159.11679	25.5
161.09656	1.6
161.13249	4.7
163.11089	2.4
167.10767	1.6
169.10091	3.4
171.11644	15.1
173.13223	6.9
175.11150	7.8
175.14758	1.2
177.12671	2.1
179.17065	1.2
182.11006	1.6
183.11652	6.1
184.06987	1.1
185.13226	6.5
187.14758	1.8
197.13266	11.1
199.14757	3.2
209.13306	1.4
211.14738	7.9
213.16447	2.4
223.14899	2.7
224.15602	1.7
225.16296	6.0
239.17906	1.2
251.18059	1.4
253.19479	100.0
254.19943	3.1
255.20908	2.2
269.18597	1.1
271.20523	93.9
272.20877	2.7
279.20679	1.2
279.26538	1.7
283.24240	2.3
291.26703	2.2
309.27753	1.5
311.82184	1.1
355.26303	10.2
377.28192	2.3
395.29373	6.2
397.31027	1.2
411.28430	1.3
413.30466	51.1
431.31549	42.3
433.25763	18.2
447.53061	1.1
511.60403	1.2
517.31525	7.9
575.35736	22.7
593.36517	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20992	1.1
53.03939	3.0
53.56712	1.3
55.01858	5.6
55.05504	5.9
56.09407	1.1
57.03431	5.9
57.07051	2.2
61.02908	4.7
65.03921	1.1
67.05489	23.2
69.03421	13.7
69.07041	5.7
71.04971	3.3
71.70532	2.2
73.02888	2.4
73.49065	1.1
74.65608	1.1
79.05475	11.8
81.03395	7.4
81.07048	19.0
83.04959	3.5
83.08594	2.9
85.02382	2.3
85.02889	42.7
85.06531	12.4
87.04446	3.3
91.05441	12.4
93.07034	17.0
95.04947	10.1
95.05473	1.6
95.08582	12.1
97.02872	12.3
97.06502	2.8
97.10152	2.7
98.01308	1.2
98.98483	1.5
99.04432	1.4
99.08056	1.8
103.05404	1.6
105.07001	17.0
107.04929	3.5
107.08572	15.3
109.02864	4.3
109.06517	4.8
109.10139	15.5
111.04417	1.1
111.08081	2.2
113.05991	9.4
115.03960	1.2
115.05457	2.0
115.07587	1.6
117.07031	7.3
118.36944	1.2
119.08561	12.3
121.10121	18.6
123.04430	2.9
123.08047	2.4
123.11673	4.3
125.09644	2.5
127.03886	12.7
129.06992	5.8
131.08559	17.8
133.06488	1.3
133.10107	17.3
135.08028	3.8
135.11671	5.0
139.03886	2.2
142.07758	5.8
143.08521	13.1
143.10666	3.0
145.04903	5.8
145.10085	16.2
147.11649	22.4
147.12718	1.9
149.09509	2.6
149.13239	4.3
155.08508	4.1
157.10103	50.0
157.11403	2.5
159.11659	19.6
161.13214	4.7
163.11177	2.6
167.10757	1.4
169.10074	4.6
171.11621	10.5
173.13129	6.9
175.11147	3.2
183.11661	5.9
185.13249	4.6
185.37263	1.3
187.14778	2.2
197.13237	8.2
199.14755	2.5
211.14867	5.5
213.16377	2.2
214.45490	1.1
215.17842	1.3
215.71957	1.2
224.15569	1.9
225.16371	4.4
238.17023	1.6
251.17918	2.3
253.19476	100.0
254.19992	1.6
255.20995	3.4
265.19302	1.2
271.05981	1.8
271.20523	43.3
272.20767	1.4
275.20148	2.9
283.24182	2.1
287.05695	1.3
291.19382	1.3
333.24054	3.4
395.29535	7.7
413.30249	3.4
431.31335	2.7
433.25824	32.3
488.83221	1.2
517.31445	12.0
557.34351	2.3
575.35699	41.6
576.35626	1.4
593.36914	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	593.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01842	2.7
55.05499	3.2
56.84218	1.6
57.03423	5.5
57.07067	4.2
61.02911	4.2
67.05496	19.7
69.00029	1.7
69.03416	14.1
69.06712	1.8
69.07054	7.7
69.82454	6.2
69.82883	6.9
71.04988	5.0
73.02878	2.3
79.05481	10.9
81.03407	6.7
81.07038	23.3
83.04949	2.3
83.77773	1.8
85.02891	37.1
85.06532	14.4
91.03931	3.1
91.05433	9.1
93.07016	14.0
95.04963	7.1
95.08582	15.3
97.02872	11.7
97.06517	2.1
97.10117	1.8
98.20706	3.6
99.04459	3.3
103.05434	1.9
105.07008	14.7
107.08579	19.6
109.02874	4.6
109.06514	3.5
109.10147	18.8
113.05978	8.0
115.36990	1.7
117.06999	4.2
119.08557	7.2
121.10112	24.7
123.08031	2.0
123.11699	5.7
125.09601	2.5
127.03899	9.5
128.38089	1.7
129.06982	5.5
131.07045	2.3
131.08557	13.1
133.10114	21.2
135.11671	5.0
141.09206	1.5
142.07736	3.0
143.08548	11.1
143.10660	3.4
145.04915	8.3
145.10078	15.2
145.89772	1.6
147.11659	29.5
148.11977	2.0
149.09627	2.4
149.13281	4.6
151.11143	3.2
155.08527	3.2
157.10103	54.5
157.81152	1.7
158.10461	3.0
159.11685	24.1
161.13217	4.0
163.11163	3.2
163.14871	1.8
163.43329	1.7
165.09038	2.0
169.10144	4.1
171.11678	12.1
173.13275	6.1
175.11154	6.4
183.11650	4.9
185.13261	4.1
197.13223	9.4
199.14853	2.4
211.14824	6.5
213.16356	3.3
225.16342	4.0
233.47862	1.6
238.17096	2.9
253.19489	100.0
254.19823	4.3
255.20715	2.9
271.20541	93.5
272.21051	2.4
283.24054	2.9
291.26794	2.7
299.13904	2.2
327.23096	2.2
355.26251	11.1
377.28619	1.9
395.29489	5.5
399.65836	1.9
405.08630	1.9
413.30457	42.0
429.67706	1.9
431.31509	36.1
433.25763	23.0
440.64944	1.8
517.31586	8.4
575.35748	28.4
593.36230	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	594.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09396	0.6
52.16330	0.6
53.03925	1.3
54.79566	0.5
55.01852	1.2
55.05500	0.6
57.03411	1.0
58.99295	0.6
58.99573	7.4
60.04517	2.7
61.02910	0.6
67.05485	1.8
68.99773	0.7
69.03414	6.8
69.07050	1.9
70.06560	1.1
70.08601	1.0
70.09009	2.3
71.04964	1.1
72.08131	0.6
73.02885	0.9
74.00642	0.9
76.02213	14.7
79.05488	1.3
80.05025	0.7
81.03399	5.9
81.07041	6.7
83.04964	3.0
83.08603	0.8
85.02889	11.5
85.06519	0.7
86.99043	5.4
87.00819	4.0
88.02194	2.4
88.03977	2.1
91.05453	1.5
93.07028	2.9
95.04937	1.2
95.08590	10.3
97.02872	4.4
97.06512	0.8
98.21404	0.8
98.99015	0.7
99.04439	2.0
100.02179	7.1
101.11591	0.5
101.12368	0.7
105.00069	8.9
105.01830	2.8
105.07012	5.5
107.04926	1.0
107.08582	3.6
108.04482	1.1
109.02850	4.8
109.06493	1.7
109.10133	2.0
111.08077	1.2
112.02107	0.5
119.08553	6.5
121.06520	1.3
121.10125	4.6
122.02708	100.0
123.04417	1.4
123.08054	6.5
125.06011	1.0
125.09617	1.4
127.03893	6.2
129.01811	1.1
131.08498	0.7
132.01149	0.6
133.06471	0.7
133.10060	3.0
134.02690	1.6
135.08031	1.9
135.11658	1.6
137.05984	1.3
137.09572	1.2
137.13240	7.0
138.03687	0.8
139.03885	1.5
139.07532	1.3
140.01611	1.1
143.08476	0.6
145.04935	2.2
145.10091	0.8
146.02646	5.0
147.04436	0.7
147.08000	1.8
147.11633	2.7
149.09579	4.9
151.03935	0.6
151.07523	8.5
151.11246	0.5
151.14790	0.7
153.09087	1.4
156.09288	0.9
159.02879	1.9
160.09009	0.6
161.09622	0.7
161.13246	10.1
163.03909	0.9
163.11137	1.0
163.14799	0.7
164.03746	4.1
165.09105	2.0
165.12704	2.0
166.03200	1.7
167.10611	2.9
171.11636	1.2
174.10449	0.7
179.14284	8.0
184.04321	0.8
188.03725	1.5
189.12718	10.4
195.12003	0.6
195.13759	2.1
207.13771	33.6
212.03745	4.3
224.11076	0.6
225.14810	12.5
230.04826	0.6
231.04962	1.0
239.10986	0.7
287.05356	0.9
316.04886	2.3
328.15723	4.0
334.05881	4.3
346.16779	66.7
346.25879	2.4
347.17194	0.9
352.06967	1.8
370.08005	8.8
594.21887	5.8
594.31085	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	594.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01848	2.6
55.05503	18.8
56.05026	48.4
57.03416	2.0
57.07079	5.4
58.06576	2.2
60.04500	2.0
67.05142	1.3
67.05493	18.9
68.05001	3.1
68.99764	0.9
69.03421	10.6
69.07054	20.2
70.02947	1.9
70.06583	5.8
71.04981	7.4
71.08176	0.8
71.08604	2.0
71.69424	1.9
72.04503	2.6
73.02890	1.3
79.05481	11.3
80.04990	4.1
81.03406	8.6
81.06606	1.5
81.07046	25.1
81.07519	1.0
83.04965	4.0
83.08601	11.7
84.04491	16.6
84.08106	1.9
85.02888	19.5
85.06540	1.9
86.06040	5.4
87.00808	4.6
88.59243	0.9
91.05452	5.9
93.07029	12.7
94.06548	6.0
95.04950	4.4
95.08591	19.8
96.04484	5.5
96.08128	1.1
97.02864	7.5
97.05276	1.4
97.06497	4.4
97.10140	7.0
98.06031	6.8
98.97536	1.1
99.04442	3.2
99.08048	1.1
100.03977	2.5
100.07623	1.4
100.11244	6.1
102.05519	3.9
105.01844	3.0
105.07024	6.1
106.06567	1.6
107.04920	4.6
107.08588	8.8
108.04460	2.4
108.08105	1.5
109.02866	5.6
109.06463	1.9
109.10149	10.7
110.06021	10.8
111.04419	3.1
111.06799	2.3
111.08043	1.9
112.03938	3.8
113.05994	1.2
114.05497	1.8
117.07010	1.2
118.06505	1.7
119.08561	3.4
120.08087	2.3
121.06449	1.1
121.10146	6.8
122.05995	2.7
122.09667	1.4
123.04388	1.2
123.08064	1.8
123.11662	3.1
124.03916	3.2
124.07554	2.9
125.09694	1.2
126.05488	11.2
127.03909	10.1
128.07042	1.3
129.05461	1.2
129.73717	1.0
131.08556	2.1
133.10088	3.1
134.09641	2.3
135.08025	1.3
135.11626	5.0
136.07547	2.1
137.05980	1.7
137.09575	3.0
137.13196	1.2
138.05473	1.6
138.09084	1.2
139.03885	2.3
140.07011	1.2
145.04909	1.7
145.10048	1.7
147.04405	1.1
147.08116	1.2
147.11710	2.4
149.13245	1.5
150.09117	2.5
152.61855	1.1
156.13817	3.5
157.10062	3.5
158.10361	1.3
159.11649	1.5
161.13158	1.3
163.14767	1.3
165.09030	1.8
168.13759	1.1
170.15031	1.0
171.11644	1.4
174.32542	1.0
175.11172	1.3
177.02179	1.1
182.15388	1.8
184.13260	1.6
191.17790	1.1
209.16536	1.5
210.14848	4.3
213.03891	1.9
253.19521	2.9
254.19859	3.0
262.21609	1.9
264.23117	5.4
265.21555	3.6
271.20566	2.0
274.21704	2.8
280.22787	6.5
282.24203	3.5
287.05490	3.7
292.22675	32.2
310.23718	94.2
311.24014	3.5
312.25687	1.2
317.05884	1.2
328.24777	92.1
329.25058	1.4
340.28290	1.3
346.25830	100.0
347.26169	2.8
394.26407	1.2
414.30463	1.2
427.36523	1.1
540.27716	1.7
558.28400	2.0
594.45764	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	594.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.1
55.01836	2.6
55.05504	14.3
56.05024	43.8
57.03392	2.4
57.07059	4.3
58.06576	1.1
60.04506	0.8
65.03894	0.9
67.05493	15.4
68.04997	1.1
69.03414	5.8
69.07054	18.9
70.02917	1.5
70.06549	2.9
70.27760	2.0
71.04947	2.8
71.08606	1.5
72.04481	3.1
74.06062	0.8
79.05486	6.6
80.04965	2.2
81.03391	4.1
81.07042	15.9
83.04919	2.0
83.08607	7.7
84.04488	11.6
84.08104	2.1
85.02460	0.7
85.02886	9.3
85.06522	1.5
86.06049	5.0
86.73045	0.7
87.00772	2.4
91.05434	3.5
93.07025	7.9
94.06534	3.6
95.04934	2.4
95.08008	1.0
95.08585	16.1
96.04484	3.9
96.08080	1.9
97.02853	2.6
97.06464	2.0
97.10151	3.9
98.06062	3.3
98.06587	0.9
98.09666	1.0
99.04400	3.0
102.05497	2.5
105.01797	1.4
105.07003	3.2
106.06523	0.7
107.04922	0.9
107.08566	6.1
108.08063	1.6
109.02824	2.7
109.06491	1.3
109.10130	7.8
110.06023	6.0
110.09612	1.1
111.04374	1.4
111.06775	0.8
111.07998	0.8
111.11757	0.9
112.03912	2.1
112.07578	1.0
112.11253	0.6
114.05468	1.2
117.06966	1.2
119.08527	2.8
120.08077	1.7
121.06425	0.8
121.10118	5.1
122.05959	1.6
122.09673	1.6
123.08008	1.3
123.11663	2.3
124.03913	1.4
124.07499	1.6
126.05482	5.9
127.03913	4.9
131.08514	2.5
133.10023	1.5
134.09618	1.2
135.11662	3.4
136.07562	1.5
137.05992	0.7
137.09537	1.4
137.13196	0.9
138.05457	0.7
138.09135	0.8
139.03859	1.6
142.04922	0.8
145.04918	1.4
145.10039	2.0
147.11655	1.5
149.13234	1.3
150.09113	1.7
152.10696	0.9
157.10020	0.9
159.02878	0.8
162.09167	0.8
182.15404	0.7
184.89476	0.7
189.16389	0.7
212.50261	0.6
231.04924	1.1
234.22189	0.8
246.22160	1.5
250.21759	1.1
251.20015	0.9
262.21652	1.2
264.23132	5.3
265.21524	1.2
274.21667	4.3
275.22467	1.0
280.22684	2.7
282.24152	2.8
287.05423	1.7
292.22638	31.1
293.23349	1.0
297.24356	0.8
310.23703	90.0
311.24030	0.9
328.24756	100.0
328.97202	0.7
329.25006	1.8
346.25827	86.5
347.25925	1.0
538.40881	0.7
540.27319	0.8
558.28772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09391	0.6
55.01855	1.1
65.03934	1.3
67.01851	0.6
67.05484	1.4
68.99781	6.0
71.67657	1.4
72.79485	0.6
81.03418	3.7
91.05463	1.6
95.04965	2.0
96.77980	0.7
99.04445	0.8
105.03336	1.6
107.04922	0.9
109.02869	3.5
111.00779	4.5
111.04414	1.9
119.04931	2.9
121.02843	1.6
123.04410	38.2
127.03897	100.0
128.04262	1.6
131.04932	1.2
133.02838	1.4
135.04387	3.0
137.02274	1.1
139.03880	68.3
140.04221	0.8
143.04840	0.9
145.06499	0.8
147.04379	13.1
147.05461	1.2
149.02301	2.3
149.05930	0.8
151.03882	27.5
153.01894	1.1
155.03328	3.7
155.04556	0.6
159.04413	1.0
161.05940	3.3
163.03865	7.9
165.05432	8.5
167.03387	5.0
167.04733	1.0
169.05038	0.9
171.04443	2.1
173.05968	0.8
175.03905	11.0
177.05495	3.5
179.03369	29.8
181.05003	0.9
185.06015	1.6
187.03865	0.9
189.05482	2.9
191.03342	8.4
193.04924	3.2
197.05922	0.9
199.03947	1.1
201.05412	4.9
203.01430	0.6
203.03349	17.3
205.04977	1.4
206.86858	0.7
207.06511	1.7
213.05458	4.8
215.03438	1.2
217.04980	3.3
219.06596	1.1
229.04906	4.4
231.06494	2.5
233.04393	4.6
241.04959	1.7
243.06471	1.2
245.04413	8.0
247.05969	2.2
257.04416	10.8
259.06039	3.7
261.04001	0.7
263.05472	5.4
269.04468	4.7
271.05856	3.6
273.07590	0.9
275.05478	16.0
275.44745	0.7
277.06934	1.3
280.67123	0.7
283.06091	0.8
287.05466	38.0
288.05771	1.2
291.05392	1.0
291.08554	16.6
299.05438	11.0
301.06982	1.4
303.05139	1.0
303.08563	1.0
305.06497	9.7
317.06528	8.6
369.42480	0.8
409.09177	7.7
425.08673	8.8
427.10196	2.4
443.09711	3.7
451.10513	1.1
554.93073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01864	1.8
60.78462	1.2
66.22706	1.2
66.77109	1.5
68.99773	6.9
69.93143	8.2
81.03403	2.7
95.04935	2.9
98.20811	1.6
99.04416	1.4
103.07777	1.1
107.04928	1.9
109.02868	4.1
111.00805	6.3
111.04426	3.1
115.05438	1.1
119.04940	2.3
121.02856	2.2
123.04407	45.6
127.03891	100.0
133.02759	1.1
135.04361	3.6
137.05998	1.1
139.03874	98.0
140.04210	1.7
147.04369	16.1
149.02307	5.4
149.05910	1.1
150.69901	1.1
151.03877	35.3
159.04352	1.6
161.05901	2.5
163.03873	7.4
165.05464	7.9
167.03368	6.2
169.04782	1.2
171.04419	2.1
173.06017	1.5
175.03859	17.0
177.05498	7.6
179.03369	36.0
181.04976	1.7
185.05963	3.0
187.03865	1.9
189.05478	5.1
191.03354	19.3
193.04916	5.1
199.03889	3.3
201.05446	6.3
203.03360	22.6
205.04951	2.5
207.06317	1.5
213.05443	7.1
215.03441	1.8
217.04860	7.4
221.04402	1.3
229.04907	8.1
231.06549	6.1
233.04379	9.1
241.04927	4.0
245.04408	15.1
247.05882	2.7
249.66077	1.2
251.05511	2.9
253.05034	2.0
257.04413	21.7
258.05103	1.3
259.05835	3.5
263.05472	12.3
269.04532	6.5
271.05963	3.9
275.05453	30.6
287.05463	56.7
288.05518	2.0
291.08597	11.8
299.05438	24.1
303.08591	2.0
305.06601	7.8
311.05392	2.1
317.06503	20.0
323.09256	1.5
356.90762	1.3
409.09045	12.3
425.08560	18.5
427.09985	3.4
443.09564	5.4
450.75677	1.5
451.10077	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	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03919	0.3
54.88034	0.2
54.98964	0.2
55.01859	0.4
55.05504	0.2
57.03429	2.1
61.02905	0.7
65.47190	0.2
68.99763	0.4
69.03425	1.0
69.51310	1.8
70.69017	0.2
71.04980	14.6
73.02903	0.4
75.04470	0.7
79.05499	0.2
80.86963	0.2
81.03388	0.3
83.04957	0.7
85.02893	18.7
87.04446	0.5
93.32679	0.2
95.04901	0.2
97.02877	1.2
99.04433	0.5
105.03368	0.3
107.04961	0.5
109.02853	0.5
111.00778	0.7
111.04411	0.6
121.02846	2.4
127.03864	0.9
129.05460	3.9
133.02861	0.4
137.02293	0.5
145.04953	0.6
147.04388	0.4
147.06487	0.9
153.01802	3.4
165.01820	1.8
183.02855	0.8
185.05940	0.3
197.05785	0.2
201.35333	0.2
203.06993	0.2
213.05482	1.2
229.05205	0.2
231.06435	0.5
241.04938	0.8
254.41068	0.2
258.05182	0.8
259.06076	0.4
268.39850	0.2
269.04141	0.2
287.05450	100.0
288.05847	1.6
300.06012	0.2
329.06516	0.6
353.06390	0.2
449.10577	0.6
453.15179	0.2
521.93036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1647
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03923	0.2
54.10765	0.2
55.01852	0.2
55.05494	0.3
57.03434	1.9
61.02927	0.4
61.40632	0.2
68.99773	0.3
69.03410	0.8
70.08929	0.9
71.04982	11.1
73.02901	0.5
75.04462	0.4
81.03384	0.4
82.51512	0.2
83.04948	0.6
85.02891	15.2
87.04456	0.2
91.03954	0.2
97.02880	0.9
98.21424	0.4
99.04430	0.3
105.03389	0.3
109.02859	0.5
111.00776	0.6
111.04417	0.3
117.44180	0.2
121.02834	1.6
127.03912	0.6
129.05466	3.4
131.39870	0.2
133.02838	0.5
133.97682	0.2
137.02312	0.5
145.04950	0.6
147.04402	0.5
147.06503	0.7
153.01807	2.6
157.06477	0.3
158.75937	0.2
165.01830	1.1
183.02855	0.5
185.05896	0.3
213.05486	0.8
213.60712	0.2
229.46135	0.2
231.06424	0.3
241.04922	0.7
258.05264	0.7
259.05966	0.3
287.05450	100.0
288.05807	1.6
299.05469	0.3
329.06485	0.3
449.10916	0.3
624.56647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1644
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03933	0.4
55.01854	0.5
55.05492	0.5
57.03425	1.6
57.25956	0.2
60.04517	0.6
61.02898	0.5
68.99763	0.4
69.03420	1.4
70.06559	0.7
71.04981	9.0
71.69983	0.4
73.02904	0.5
74.99467	0.3
75.04465	0.3
79.05488	0.3
81.03392	0.7
82.00614	0.2
83.04961	0.7
85.02892	12.7
86.09679	0.3
88.31788	0.2
93.07019	0.3
94.06573	0.3
95.04948	0.4
97.02875	1.3
99.04438	0.6
99.62543	0.2
105.07009	0.3
107.04910	0.4
109.02859	0.8
111.00787	0.6
111.04411	0.8
121.02837	1.3
127.03873	1.3
129.05473	2.9
137.02299	1.4
137.09674	0.3
143.11790	0.3
145.04919	0.7
145.06447	0.3
147.04370	0.5
147.06471	0.6
153.01790	1.9
154.38037	0.3
165.01801	1.1
181.04959	0.3
183.02881	0.8
185.05949	0.4
213.05428	1.4
213.12320	0.4
231.06467	0.8
241.04939	1.0
258.05249	0.5
259.06003	0.5
265.75388	0.2
269.04449	0.5
286.04474	0.3
287.05447	100.0
288.05792	2.0
299.05502	0.3
303.04904	2.6
312.25253	0.2
328.24731	0.6
329.06525	0.6
329.25256	0.4
330.26266	0.4
345.06052	0.4
346.25787	1.1
347.12329	0.4
347.26184	0.9
348.27356	0.3
359.07053	0.3
413.08923	0.3
433.11169	0.3
449.10709	1.1
551.32068	0.5
563.14459	0.5
594.30884	0.3
595.31476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1642
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03932	0.5
55.05473	0.4
57.03429	2.1
60.04505	0.8
61.02909	0.7
67.05458	0.8
68.99760	0.6
69.03427	2.8
69.07047	0.4
70.06560	1.7
71.04981	12.8
71.68414	0.8
73.02895	0.6
74.07229	0.4
76.02203	0.6
79.05491	0.8
81.03387	1.1
81.07024	0.9
83.04958	1.5
85.02890	17.1
86.06063	0.4
86.09681	0.9
87.04423	0.6
91.05450	0.7
95.04944	0.8
95.08599	1.1
97.02893	2.3
103.18320	0.4
105.07017	0.6
107.04935	1.1
109.02874	0.9
109.10183	0.9
110.07083	0.4
111.00797	1.0
111.04447	0.8
115.23473	0.4
121.02852	2.7
122.79308	0.5
123.04411	0.8
126.64679	0.4
127.03902	2.6
129.05464	4.8
133.02771	0.4
135.04372	0.5
137.02298	1.2
137.09615	0.4
139.03867	1.3
145.04913	0.9
147.04410	0.9
147.06502	0.9
149.09526	0.5
151.03833	0.7
153.01825	2.5
154.91760	0.4
163.03868	0.5
165.01828	1.6
175.03883	0.5
181.04942	0.6
183.02881	0.7
189.05447	0.6
208.16672	0.4
210.71614	0.4
213.05435	1.3
229.05002	0.6
231.06470	0.6
241.04904	1.0
271.06177	0.6
287.05450	100.0
288.05887	2.2
299.05557	0.8
327.13177	1.4
329.06442	0.9
329.25183	0.6
345.04465	1.1
346.25800	1.1
347.25958	0.6
387.15390	1.8
448.21686	0.7
477.07840	0.5
551.32471	0.6
595.07251	0.6
595.21924	0.5
595.31067	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	595.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80926	1.2
53.03925	3.4
55.05503	8.7
57.03425	9.6
60.49964	1.1
65.03936	2.0
67.05490	34.8
69.03427	2.2
69.07056	9.3
71.04985	1.4
71.69645	1.8
74.07014	1.3
79.05473	18.5
81.03402	15.6
81.07042	31.9
82.22346	1.4
83.08619	2.9
85.02903	2.0
91.05454	9.4
93.07030	24.4
94.07323	1.1
95.04967	2.3
95.08583	25.7
96.29590	1.2
97.06525	2.0
98.98445	33.6
105.06998	8.8
107.04936	1.9
107.08575	9.7
109.02865	9.6
109.06451	1.6
109.10128	9.4
111.08055	1.3
117.06998	2.1
119.08543	5.9
121.10136	6.3
123.11673	3.5
127.03899	5.0
131.08531	4.4
133.10065	4.8
133.11067	1.1
135.11656	6.9
139.03928	1.6
142.07916	1.2
145.10118	3.0
147.11635	3.4
149.13214	3.9
155.00996	3.0
159.11674	1.3
161.13199	2.2
163.06064	2.6
173.13194	1.7
179.14252	1.3
243.21126	2.4
261.03653	10.1
261.22116	3.9
277.21094	1.5
287.05478	2.2
317.24768	1.8
335.07468	3.5
335.25745	100.0
336.26126	4.0
407.04941	1.6
409.08920	1.2
575.94666	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01860	16.6
57.25185	1.0
58.99569	1.3
65.03941	2.1
67.05477	1.5
68.99760	1.5
69.26637	1.2
70.06584	1.8
70.08189	1.2
70.95605	1.6
70.95939	1.9
71.01036	1.2
74.00655	2.1
76.03992	1.6
81.03422	2.3
83.06104	8.8
84.04488	35.8
91.05455	1.5
95.04980	1.6
97.02862	2.2
99.02669	3.8
107.04959	3.3
107.06049	1.5
108.05264	1.9
109.02719	1.2
111.04440	3.6
112.03946	21.5
119.04916	2.7
123.04410	16.0
124.04734	3.6
127.02129	16.8
127.03893	9.6
128.04276	1.6
129.06580	19.0
130.04977	87.8
135.02626	9.2
135.04405	4.4
137.02298	1.5
139.03874	85.1
140.04236	6.9
145.06073	2.4
147.04411	3.4
149.02333	2.9
151.02115	1.9
151.03859	8.0
152.99995	1.5
153.03615	2.0
153.05460	1.5
153.06621	2.3
155.01588	29.1
163.02135	14.4
163.03888	26.3
163.05156	2.1
164.04276	3.5
165.00089	2.3
165.05464	3.2
166.05734	1.6
167.01662	1.8
175.02155	2.3
175.03818	1.7
175.26544	1.2
177.05490	1.7
178.03188	1.4
179.01616	26.6
179.03368	3.9
179.43445	1.5
180.03650	1.6
181.03258	6.2
181.04720	2.1
183.01085	57.6
189.00000	1.9
191.01601	13.2
191.03249	2.6
193.04985	1.5
195.01135	1.5
196.04271	5.4
203.01627	6.1
203.03421	3.1
204.03789	1.8
207.01117	2.5
208.04276	3.9
209.02620	19.4
213.05214	1.3
218.02762	1.1
219.00964	1.4
221.02644	1.6
226.05313	6.0
229.04987	2.2
237.02197	3.7
242.05626	3.7
245.04457	2.9
246.04816	2.6
247.06036	1.6
249.84387	1.3
257.02209	1.6
257.04617	2.5
258.04865	2.2
269.04355	1.6
270.05185	5.1
271.05820	2.3
272.06461	1.7
275.05661	2.5
276.05972	1.8
281.05997	2.6
282.04263	14.4
287.05386	6.2
288.05798	7.1
291.08658	2.1
292.06168	1.9
299.06519	1.7
300.05661	2.0
301.06726	1.3
303.02930	19.6
312.05304	14.8
318.06851	2.3
323.98190	1.6
329.07962	100.0
346.07251	2.8
347.05841	2.9
357.04269	1.9
383.08987	13.9
395.09326	1.3
409.08496	1.3
410.09528	4.3
426.09061	3.3
432.07040	2.6
440.11212	2.3
441.09875	1.3
449.10211	7.2
452.10400	1.6
458.12213	55.5
467.10992	2.6
503.11209	3.7
521.12213	14.8
578.14563	2.1
596.15100	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	596.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54171	0.6
53.03936	3.7
55.01857	1.6
55.05506	7.1
56.05021	4.1
57.03430	3.9
57.07062	1.0
58.06596	0.7
60.04514	20.1
61.02911	2.1
65.03934	2.0
67.05492	11.8
68.05016	4.4
68.99760	1.5
69.03418	16.3
69.07052	6.1
69.61951	2.5
69.62374	3.0
70.06582	2.3
71.01314	0.6
71.04980	2.3
72.04494	5.6
73.02895	3.7
74.06061	2.4
79.05475	5.2
80.05001	19.6
81.03400	15.3
81.07042	9.5
82.06567	4.5
83.04977	0.7
83.08615	3.6
84.04493	3.4
84.08121	0.9
85.02892	23.1
86.06039	1.7
87.00811	5.9
87.04437	0.9
90.05554	1.4
91.05437	3.7
93.07005	5.3
94.06541	12.5
94.57115	0.6
95.04929	1.5
95.08583	9.0
96.04471	4.1
96.08119	2.3
97.02881	9.1
97.06537	0.7
97.10149	2.0
98.06050	3.2
99.04442	5.8
99.08095	0.6
100.07603	2.0
101.02332	0.9
102.05513	1.0
103.03915	1.5
105.01863	3.8
105.07009	2.4
106.06528	3.4
107.04919	1.0
107.08592	2.4
108.08064	2.0
109.02857	12.5
109.10123	5.3
110.06025	12.4
112.07578	1.7
114.05522	2.7
116.07066	0.7
117.01863	1.4
118.06545	1.2
119.08569	1.3
120.08092	3.2
121.10135	1.8
122.06031	1.3
122.09680	0.7
123.11717	1.5
127.03892	17.1
128.07071	0.7
129.01802	1.8
132.06554	11.8
132.07994	0.8
133.10106	0.9
134.09634	0.9
135.11667	1.2
136.07526	1.1
137.09570	1.3
140.07037	1.4
145.04918	3.2
147.02898	0.7
147.11696	1.0
152.07010	0.7
159.02872	2.7
165.09076	0.9
167.07089	0.9
177.05409	0.8
179.01471	0.6
179.10703	0.8
182.11658	0.8
187.06006	1.4
214.64449	0.7
231.04962	1.5
234.22113	1.4
238.21657	1.4
246.22162	5.8
248.23622	1.8
252.23189	14.0
258.22165	2.0
264.23209	4.2
266.24817	2.3
270.24191	4.7
276.23187	10.7
287.05615	1.0
294.24231	20.2
312.25281	29.6
313.12778	1.2
318.24472	0.8
330.26321	29.0
336.25485	1.2
348.08017	0.8
348.27374	59.5
349.27826	1.4
354.26352	1.0
372.27136	1.2
390.28500	3.2
435.07639	0.7
510.32764	1.9
516.31317	0.9
534.32483	2.8
552.33734	18.9
553.33942	0.8
560.30408	1.6
574.08624	0.8
578.31549	6.4
596.32648	100.0
597.33203	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	596.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01857	1.9
55.05503	4.1
56.05025	3.0
57.03432	3.0
57.07070	0.9
59.46964	0.5
60.04518	28.3
61.02915	1.6
65.03928	0.9
67.05496	9.8
68.05006	2.7
68.99785	1.6
69.03421	17.9
69.07053	5.2
69.92258	3.4
70.06573	1.5
71.04985	4.3
72.04492	2.2
73.02905	3.7
74.06062	1.0
79.05485	3.7
80.05005	8.9
81.03408	11.6
81.07042	10.2
82.06561	2.5
83.04972	1.1
83.08609	1.7
84.04485	1.9
84.08125	1.2
85.02896	21.2
86.06042	2.2
87.00822	5.5
90.05550	1.3
91.03922	0.6
91.05465	2.3
93.07037	5.2
94.06543	6.9
95.08598	8.7
96.04465	1.5
96.08102	1.2
97.02879	8.2
97.10162	1.7
98.06036	1.2
99.04443	5.1
102.05522	0.8
103.03920	0.7
105.01839	2.6
105.07026	1.5
107.08566	3.2
108.08074	0.8
109.02859	11.5
109.10114	4.4
110.06031	2.5
114.05513	2.3
115.03848	0.8
116.07092	1.6
117.06994	1.0
119.08613	1.3
120.08075	2.3
121.10121	2.6
122.09669	1.2
123.04525	0.7
123.07998	0.7
124.07565	0.8
127.03895	15.4
129.01831	1.8
132.06548	7.4
133.10110	1.5
134.09657	1.4
135.11693	0.9
136.07593	0.7
137.02336	1.2
142.08614	1.9
145.04936	3.3
148.11115	0.7
153.70612	0.6
159.02873	1.7
187.05986	1.2
208.20613	2.6
214.05730	0.9
226.21600	0.7
231.04881	0.7
234.22093	0.9
237.10266	1.5
238.21690	0.8
246.22244	2.0
250.21635	1.4
252.23065	0.9
253.09500	1.5
258.22208	1.9
262.75980	0.7
264.23178	0.7
265.09579	3.0
266.24963	0.9
267.11282	1.6
276.23187	6.3
281.09225	1.3
285.12231	0.9
287.05447	27.0
288.05795	32.1
289.06085	1.7
293.09152	3.8
294.24243	16.1
303.04947	5.5
304.05429	1.8
312.25272	39.9
321.08664	2.3
330.26331	43.6
339.09708	5.2
348.27390	58.9
349.27936	1.0
354.26447	1.2
372.27432	0.9
389.13281	6.1
390.28491	2.7
475.17682	0.7
510.32776	2.5
516.31903	1.0
534.32983	3.5
547.15552	3.8
552.33771	19.3
553.33405	0.7
560.29340	0.8
578.31537	5.2
596.32666	100.0
597.32550	3.1
624.95392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01859	2.2
55.05497	5.6
56.05018	2.6
57.03422	3.2
57.07052	1.2
57.96085	0.5
58.32327	0.5
60.04515	22.8
61.02921	1.5
65.03912	1.6
67.04247	0.6
67.05489	9.1
68.05006	5.0
68.99779	1.1
69.03417	16.7
69.07047	6.4
69.77338	4.4
70.06579	2.6
71.04980	2.1
71.08630	0.7
72.04504	5.2
73.02890	2.8
74.06048	1.5
77.85067	0.7
78.54012	0.5
79.05470	4.6
80.05003	15.5
80.79488	0.6
81.03400	15.2
81.03876	0.8
81.07042	8.8
82.06565	3.7
83.04977	0.7
83.08144	0.6
83.08582	3.1
84.04468	2.7
84.08108	0.7
85.02888	19.8
86.06048	2.0
87.00814	6.4
90.05535	1.0
91.05459	1.9
92.04939	0.7
93.07024	3.9
94.06539	10.5
95.04957	1.2
95.08587	8.7
96.04488	3.9
96.08125	2.1
97.02881	8.8
97.06517	0.9
97.10134	1.9
98.06041	3.0
98.09688	0.6
99.04426	4.7
100.07594	1.5
103.03945	1.0
105.01881	3.2
105.07028	1.4
106.06545	2.3
107.04939	0.9
107.08562	1.8
108.04445	0.6
108.08083	1.1
109.02858	10.4
109.10132	4.2
110.06017	9.9
110.09672	0.8
111.04408	0.7
112.07577	1.4
114.05505	2.5
115.03889	0.6
117.01818	0.9
117.06914	0.7
119.08592	1.5
120.08069	3.0
121.10136	1.8
122.06007	1.4
123.11706	0.8
124.07580	0.9
127.03896	14.8
128.07066	1.0
131.08481	0.5
132.06538	11.6
133.10117	1.6
134.09644	1.6
135.08070	0.8
135.11658	1.0
137.09604	2.3
140.07027	0.8
145.04922	3.1
147.02937	0.9
148.11256	0.7
158.08162	0.8
159.02884	2.8
161.13176	0.6
165.09090	1.4
167.07025	0.8
171.87363	0.6
187.05966	1.5
234.22055	1.0
238.21588	0.7
246.22115	5.9
246.99994	0.6
248.23711	1.8
252.23195	15.2
258.22226	1.9
264.23141	4.0
266.24857	1.8
270.24240	3.5
276.23190	9.2
276.25995	1.0
294.24237	15.9
312.25262	28.7
313.12695	2.1
313.25598	1.1
328.14011	0.8
330.26340	30.2
335.89145	0.7
347.07312	0.8
348.27380	60.5
349.27737	1.4
354.26138	0.8
372.27435	1.2
390.28363	3.6
510.32593	2.6
516.31281	1.0
534.32941	2.5
552.33661	15.1
560.30481	1.4
578.31366	5.5
596.32642	100.0
597.33026	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.0
55.01847	5.2
55.05493	11.4
56.05030	8.9
57.03408	6.6
57.07039	4.5
58.02945	3.1
58.06572	3.1
60.04512	18.7
61.02896	3.9
65.03918	1.4
67.05491	21.1
68.05016	1.6
68.99755	3.2
69.03421	37.4
69.07056	18.6
70.02943	2.1
70.06564	5.7
70.11871	1.4
71.01350	2.9
71.04967	6.6
71.08589	2.7
71.69585	2.7
72.04118	2.7
72.04504	50.7
73.02900	6.5
79.05485	10.5
80.04988	3.9
81.02943	2.1
81.03400	32.8
81.06599	2.6
81.07039	26.9
82.06542	2.2
83.04946	2.8
83.08615	9.2
83.76294	1.3
84.03999	3.1
84.04488	58.1
85.02890	75.0
85.06528	1.7
86.03237	1.8
86.06049	21.7
86.09678	1.4
87.00813	21.9
87.04456	1.5
91.05458	6.7
92.93111	1.5
93.07023	12.7
95.04934	3.8
95.08588	27.1
96.04450	6.4
97.02875	22.2
97.06496	2.6
97.10157	11.1
98.06011	3.3
99.04446	11.9
100.03978	2.3
102.05512	6.8
103.03920	1.8
103.05430	2.4
105.01851	16.4
105.07006	6.3
107.04906	2.7
107.08573	8.4
109.02863	31.0
109.10135	18.8
110.06020	2.8
111.04418	4.4
111.11684	3.4
114.05476	1.9
115.03884	1.7
117.01821	2.3
119.08553	5.9
121.06487	2.9
121.10106	11.6
123.04389	5.0
123.11677	8.8
124.07527	1.6
125.06014	1.9
125.09615	1.7
126.05479	9.0
127.03899	44.7
129.01770	4.2
131.08499	1.5
133.10103	3.8
135.11650	6.9
137.09578	3.5
137.13126	1.9
138.05377	1.6
145.04958	11.4
145.06030	1.9
145.06395	1.7
147.02818	3.1
147.04378	2.4
147.11604	2.2
149.13239	3.0
150.05379	1.9
150.95914	1.5
151.14774	2.2
152.06966	1.7
154.68532	1.6
159.02850	9.8
161.05948	2.6
162.05449	2.2
163.03915	2.3
165.05302	1.6
167.07056	7.5
174.05525	1.7
175.14888	1.5
176.96413	1.9
184.83885	1.8
189.03798	2.1
193.19490	5.9
205.19441	2.7
210.22162	5.9
211.20508	6.1
213.03865	2.1
223.20557	2.6
231.05006	8.8
237.21989	2.1
248.23691	3.6
249.05916	3.0
249.21953	1.7
252.23283	2.0
253.21637	3.1
259.20456	2.5
264.23129	2.3
266.24683	14.9
276.23175	14.6
277.21481	9.4
288.05814	1.7
294.24243	49.2
295.22488	10.9
312.25256	80.9
313.23410	2.6
314.08594	3.3
318.23856	2.2
330.26331	100.0
331.26678	2.3
332.09616	5.2
336.25287	2.2
348.27292	5.4
354.26257	6.7
372.27319	7.0
402.26337	2.4
420.27524	2.6
421.18692	1.8
435.06976	2.6
480.29312	2.4
506.27228	2.7
524.28363	9.4
542.29517	8.9
560.30664	15.2
578.31696	49.6
579.31622	3.6
596.21149	1.8
596.32654	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	597.1443
Annotation	Quercetin 3-vicianoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.01862	0.9
55.05509	0.8
56.05014	0.4
57.03432	3.6
60.04515	3.1
61.02924	1.9
65.03929	0.5
67.05487	1.6
68.99799	0.6
69.03415	4.4
69.07045	0.5
70.06584	0.8
71.03461	1.1
71.04991	0.7
72.04534	0.5
73.02905	6.7
79.05482	0.6
80.05004	1.5
81.03391	2.3
81.07052	1.3
84.08106	0.5
85.02895	9.2
87.00821	1.1
87.18101	0.4
90.99317	0.3
91.53544	0.4
94.06562	0.7
95.04940	0.4
95.08611	0.6
97.02876	5.9
99.04427	0.6
107.08555	0.5
109.02853	2.1
109.10123	0.6
110.06047	0.4
110.10400	0.4
111.00774	1.1
115.03905	2.8
115.30627	0.4
120.08159	0.5
121.02825	1.3
123.04388	2.3
127.03896	3.5
132.06549	0.7
133.04901	0.5
137.02312	3.5
137.05969	0.4
139.03870	1.0
145.04926	2.1
147.04288	0.4
149.02304	0.7
153.01810	3.7
159.04454	0.4
161.05890	0.5
163.03833	1.1
165.01863	2.1
165.05487	0.6
173.05943	0.4
183.02870	0.8
201.05434	1.7
211.14589	0.5
215.03436	0.5
223.08801	0.5
225.10281	0.6
229.04919	4.6
237.10175	1.2
247.05994	1.0
251.08084	0.5
253.09720	1.4
257.04416	2.8
257.09909	0.5
265.09622	2.1
266.10239	0.5
267.11295	0.8
274.04703	0.8
279.07629	0.5
281.09116	1.3
283.10873	0.6
285.03925	1.4
293.09149	1.6
294.09918	0.5
294.24237	1.2
295.10754	1.1
295.24292	0.8
298.10727	0.5
303.04950	100.0
304.05200	1.5
311.10123	0.7
312.25223	3.3
313.25601	2.0
315.04962	1.1
321.08621	2.0
330.26279	5.0
331.26660	2.8
339.09705	4.7
345.06116	1.3
348.27441	7.0
349.27805	3.1
357.10736	0.6
389.13232	3.0
425.02158	0.5
465.10208	1.0
529.14990	0.4
547.15509	6.1
552.33600	1.1
553.33990	1.2
578.31866	0.6
596.32697	4.9
597.32941	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	597.1803
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
63.05620	6.9
66.76277	6.7
69.40545	79.1
71.58672	7.3
71.70525	6.4
72.13979	6.9
81.03400	10.0
85.02885	24.1
93.03394	14.0
95.04984	8.1
97.02824	7.5
107.04961	18.7
109.02866	11.8
119.04853	12.6
121.02843	21.5
123.04408	13.4
124.04774	7.1
131.04871	14.3
135.04399	10.9
139.03906	17.4
147.04401	23.9
151.03856	10.4
159.04391	14.0
163.03909	16.3
165.01814	17.5
165.05540	8.2
173.05859	8.1
175.03839	8.5
177.01755	17.6
187.03874	8.4
189.01839	17.3
189.05418	8.9
191.03297	18.3
195.02841	35.1
201.01796	12.3
201.05423	10.7
205.01306	15.1
207.02887	50.1
215.03342	14.5
219.02847	74.1
221.04411	11.5
223.02255	14.3
225.03947	23.2
229.04944	17.7
231.02835	44.7
233.04408	22.4
237.03894	30.4
241.04813	9.5
243.02754	33.6
245.04604	9.0
249.03917	18.8
255.02737	11.7
257.04333	25.0
261.03925	100.0
273.04010	40.7
285.03918	47.3
291.04898	26.4
297.04303	12.9
297.07404	17.5
299.05249	11.7
303.01816	8.7
303.04865	44.6
315.05219	10.5
321.06192	10.8
327.04944	48.4
327.08633	21.9
339.07776	44.7
345.06055	11.2
351.08453	18.8
363.07394	32.0
381.09634	24.0
387.06854	8.1
393.09015	27.3
405.08655	41.3
411.10773	20.0
417.09674	11.7
423.09848	27.4
429.11566	37.4
441.11102	38.7
447.10724	18.7
459.12241	27.3
465.11545	7.7
477.11728	9.6
483.12753	16.7
495.12527	15.5
525.13977	16.1
543.14484	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	597.3027
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.59925	1.9
53.03923	2.6
55.05504	17.9
57.03432	9.9
57.07060	2.6
64.88270	2.0
67.05494	30.9
69.03407	3.1
69.07055	14.7
69.42884	17.0
79.05476	12.4
81.03397	9.2
81.07044	31.0
83.04951	2.2
83.08596	6.9
91.05486	10.1
93.07011	12.5
95.08596	27.6
97.06542	3.5
97.10130	3.0
98.98455	28.6
105.07011	10.3
107.08555	7.2
109.02847	11.1
109.10143	13.1
119.08558	7.2
121.10127	6.3
123.11674	3.3
125.09631	2.0
127.03859	2.0
131.08557	4.7
133.10094	4.6
145.10068	2.7
147.11676	3.9
155.01028	3.4
161.13232	3.0
163.05989	1.9
175.14835	2.6
261.03836	9.1
263.23776	4.2
281.14456	1.8
335.07318	3.0
337.27319	100.0
338.27606	3.6
597.26782	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	599.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00672	0.5
53.03934	1.5
55.01849	1.6
57.03412	1.4
64.45218	0.6
67.05501	0.9
69.03400	1.3
69.07038	0.9
70.06583	0.9
70.67713	1.3
70.68076	1.3
79.05469	1.4
81.03397	1.1
81.07040	1.6
85.02895	3.7
93.07053	0.8
95.04955	1.9
97.02892	1.5
105.06995	0.8
106.84280	0.6
107.04936	100.0
107.08572	0.9
108.05251	1.2
109.02863	1.3
109.10126	1.6
110.96252	0.6
121.02847	1.8
121.06513	0.9
121.10102	0.6
123.04447	0.9
127.03888	1.2
131.04929	1.7
135.04356	0.9
137.09592	1.9
138.09946	1.1
139.03845	0.8
147.04385	2.0
147.07869	0.7
149.06004	0.9
151.03839	1.5
157.06555	0.6
159.04480	0.9
161.05898	1.1
163.03874	2.7
165.09122	1.6
166.09343	0.8
171.04292	0.8
175.03879	3.3
177.05464	1.4
181.04950	1.9
185.05928	1.0
187.03883	2.5
189.05475	1.1
191.03447	1.6
193.04982	3.7
197.05885	0.8
201.05486	1.7
203.03465	0.6
203.06851	0.7
205.04898	6.2
211.06003	0.7
213.05528	1.1
217.04921	4.5
219.06532	1.6
221.04407	2.2
223.06001	2.3
225.05467	0.7
229.04936	2.2
231.06538	2.3
233.04492	0.9
235.05960	3.8
241.04974	1.6
243.06496	1.8
245.04556	0.7
247.05911	4.5
249.11307	0.9
255.06647	0.6
259.05923	7.2
271.06110	2.9
273.07452	0.7
277.07001	1.9
283.05997	2.1
285.07455	1.4
289.06882	3.0
293.07953	0.9
295.05988	0.7
297.07449	0.6
297.13434	0.7
298.13602	0.7
299.09003	1.5
301.06927	3.3
309.07318	0.7
311.05789	0.7
311.09140	1.6
313.07059	2.5
317.10330	1.1
319.07996	1.3
325.06943	2.5
329.10220	4.1
341.10071	4.9
343.08234	1.2
353.10056	6.0
355.08081	0.8
361.08734	0.8
365.10147	5.2
377.10052	1.6
383.11246	7.6
389.10037	1.6
395.11154	9.4
401.11926	0.7
407.11160	8.2
413.12289	3.1
419.11197	6.8
425.12332	3.2
431.13470	10.2
443.13254	3.3
449.12305	5.3
461.12494	4.2
467.13394	3.6
473.12454	1.3
479.13217	3.7
485.14191	2.4
491.13364	2.4
497.14301	6.4
509.14432	2.8
527.15479	2.0
545.16211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.249
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
57.32225	7.5
57.35305	6.8
67.05487	12.6
70.01716	35.9
71.62835	7.1
80.14517	7.4
81.07035	24.4
82.04441	7.0
88.99910	7.3
95.08553	9.5
95.71514	8.2
97.69902	6.7
105.06998	9.5
107.08575	14.3
119.08563	7.9
133.10143	7.7
298.85245	8.8
354.18320	11.1
369.20737	23.9
379.18967	10.7
397.20169	11.2
425.19492	24.1
451.21146	14.4
484.24268	8.3
495.23657	8.7
512.24152	67.1
539.22723	58.6
599.24829	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	599.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03922	2.3
55.05504	10.2
57.07065	7.7
59.04998	2.5
65.03928	2.5
67.05493	18.2
69.03410	11.4
69.07070	10.6
71.04969	1.8
79.05476	20.0
81.03400	2.4
81.07040	22.7
83.04971	12.3
83.08615	7.4
85.06546	6.9
87.04494	2.2
91.05462	27.1
92.65745	1.5
93.07029	29.2
95.04955	17.2
95.08590	16.5
97.06538	8.2
97.10127	1.6
103.05457	3.3
105.07011	49.8
107.04937	2.7
107.08579	32.2
109.06478	11.6
109.10139	11.0
111.08062	3.5
115.05459	3.5
117.06989	10.7
118.07790	1.6
119.08562	40.5
121.06481	9.5
121.10123	35.9
121.10982	2.5
123.08064	14.5
123.08924	2.1
123.11681	2.7
125.06018	3.5
125.09630	7.0
128.06239	5.9
129.06981	10.2
131.08549	27.7
133.06519	4.2
133.10103	25.7
135.08046	15.3
135.11702	7.9
136.80028	1.5
137.05992	2.7
137.09610	9.6
139.07535	2.5
139.11194	2.5
141.06969	5.2
142.07730	10.2
143.08537	26.0
144.09317	9.7
145.06438	3.2
145.10097	32.3
146.07214	1.7
147.08023	15.0
147.11687	9.7
149.09596	14.1
149.13286	1.4
151.07538	12.3
151.11183	1.7
153.07045	3.3
153.09154	2.2
155.08516	10.6
156.09305	11.9
157.10095	30.8
158.10913	5.6
159.08044	13.5
159.11674	18.5
161.09589	9.4
161.13258	6.8
163.11143	9.9
165.06958	2.9
165.09087	27.9
167.08553	6.3
167.10664	14.1
168.09352	3.4
169.10086	15.8
170.10907	3.6
171.08058	1.8
171.11661	14.9
172.12407	1.8
173.09634	6.8
173.13246	9.2
175.11140	8.6
175.14836	5.6
177.09085	2.5
177.12744	2.6
179.08562	6.6
179.10623	2.2
180.09322	2.0
181.10138	9.8
181.12210	3.9
182.10921	7.3
183.11678	18.6
184.12434	1.9
185.09669	4.4
185.13235	10.3
187.11169	5.2
187.14873	3.3
189.12720	7.4
191.14281	4.5
192.09306	2.9
193.10143	7.6
193.12372	2.0
194.10922	6.1
195.11642	11.7
195.13385	1.6
196.12515	4.6
197.09605	4.2
197.13261	14.7
199.11186	4.3
199.14844	4.3
200.11980	2.3
201.12793	4.5
201.16457	1.9
203.14249	9.5
205.10124	2.8
206.10941	4.2
207.11711	8.8
207.13832	11.3
208.12466	3.4
209.13286	15.1
209.15279	3.3
210.14082	2.8
211.11299	3.0
211.14874	6.6
213.12761	3.2
215.14418	3.3
217.10191	2.4
217.16042	1.5
218.10942	1.9
219.11795	3.6
219.13788	2.1
220.12460	1.8
221.13264	7.8
221.15407	39.3
222.13969	2.1
223.11212	1.7
223.14799	7.2
225.12775	4.8
225.16403	3.4
227.14346	2.8
229.12323	2.8
230.10899	1.6
231.11745	1.7
232.12480	3.0
233.13237	4.2
233.15315	33.9
234.13858	3.0
235.14839	4.1
235.16884	1.7
237.14656	3.4
237.16666	2.7
239.14297	2.9
241.15829	2.2
245.13271	2.9
247.14771	2.8
247.17007	3.9
249.16373	2.6
251.18042	2.5
257.18988	1.9
259.14761	3.0
259.17160	2.6
261.16446	5.2
263.17926	3.2
271.14655	2.1
273.18680	2.1
279.17596	2.1
281.19009	8.1
283.63330	1.8
285.18600	2.5
286.19263	2.4
287.20166	4.7
293.19055	2.6
299.20157	4.5
311.19977	1.8
312.20557	1.6
313.21603	1.9
342.76141	1.9
347.23752	2.3
349.21671	1.9
351.23157	1.9
352.23749	2.0
364.24017	3.8
365.24948	2.6
373.25275	3.0
377.24744	2.3
391.26303	4.0
415.28177	2.6
419.29056	1.8
441.29868	3.3
474.55817	1.5
489.33554	4.5
493.33054	2.8
507.34634	78.1
581.39624	4.7
599.40887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01856	1.4
57.03431	13.4
59.04993	3.9
60.04513	2.6
61.02898	0.9
67.05481	1.2
69.03419	47.6
69.07047	0.8
70.06573	1.8
70.24390	3.9
73.02901	1.4
75.04467	2.2
79.05477	2.7
81.03403	2.4
85.02892	35.8
87.04455	29.7
91.05470	10.8
94.04165	1.6
95.04963	3.0
97.02881	35.2
103.05441	2.0
105.07011	10.5
107.08562	1.3
109.02843	1.3
109.06520	1.2
111.04426	0.9
115.03914	43.7
117.07006	1.7
119.04906	7.3
119.08575	2.0
120.05714	1.4
121.06475	1.7
122.03651	2.5
123.04414	1.4
127.03895	4.5
133.04948	39.6
135.08087	4.6
136.05223	1.2
137.05954	100.0
138.06357	1.6
138.25104	0.8
139.03931	1.2
144.06535	1.1
145.04958	3.2
145.20241	0.9
149.05943	1.2
149.09622	0.9
150.06662	2.2
150.07686	7.2
151.07523	38.7
153.09064	6.3
155.10658	1.0
156.85472	0.8
161.06000	1.2
163.07526	1.7
165.09094	49.1
175.07521	2.0
177.09132	0.9
179.06995	1.4
179.10593	1.3
180.08601	0.9
187.07428	0.9
189.09068	1.2
207.10121	1.4
236.91507	0.8
241.07045	1.2
241.12340	1.1
269.11768	1.3
289.14301	84.0
290.14679	1.0
299.12799	4.0
301.14310	27.6
308.51822	0.8
313.14322	3.2
331.15317	17.7
339.15839	1.3
355.15219	4.0
367.15344	3.8
384.52606	0.9
385.16324	3.5
397.16382	1.9
403.17233	1.0
415.17575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01863	0.9
55.05488	4.1
57.03427	1.6
57.07073	0.9
65.03916	1.5
67.05494	13.6
69.03419	4.7
69.07043	3.9
70.88203	3.2
71.04954	1.5
79.05477	12.5
81.03404	3.9
81.07037	17.2
83.04958	2.0
83.08578	2.2
85.02891	12.1
86.44126	0.9
87.00805	5.7
91.05460	12.1
93.07026	26.5
95.04943	4.1
95.08594	19.1
96.37196	0.8
97.02864	6.8
97.06488	1.4
99.04430	3.0
103.05444	1.4
105.01850	14.8
105.04459	1.0
105.07011	21.4
107.04934	1.1
107.08574	34.0
109.02825	6.2
109.06528	2.6
109.10138	13.7
111.04425	6.0
111.08059	3.9
113.06036	1.3
117.06950	4.4
119.08559	34.5
121.06474	2.3
121.10109	12.9
123.04420	2.0
123.11693	2.2
125.05976	2.5
125.09625	5.0
127.03893	13.9
128.06244	1.3
129.06972	2.1
131.08530	7.2
133.10112	11.5
135.04385	1.7
135.08034	2.6
135.11676	12.8
137.05916	1.7
137.09578	1.8
139.07513	16.7
143.08534	3.7
145.04964	5.0
145.06471	1.1
145.10069	7.2
147.08051	1.4
147.11647	6.3
149.13229	4.0
151.07532	1.4
151.11159	1.3
153.09077	46.0
155.08458	1.5
157.10078	3.2
159.11674	6.6
161.09569	1.4
161.13225	3.4
163.11134	1.2
165.09093	1.2
166.89772	1.0
167.10716	1.4
170.10931	1.9
171.11668	2.9
173.09622	2.5
173.13199	2.7
175.11148	1.5
179.10695	2.0
183.11598	1.5
184.92273	1.0
185.09595	1.2
185.13159	2.2
187.11096	1.6
187.14787	1.2
191.10553	6.0
193.12227	7.9
201.16377	1.4
203.10660	2.0
205.12241	18.6
213.03865	1.1
213.12761	1.0
217.12219	10.1
219.13756	3.4
229.12221	5.9
231.04991	6.9
231.13710	6.4
243.13774	1.3
245.15344	1.7
249.05963	2.6
259.16925	2.4
265.17633	0.9
271.17075	0.9
284.09628	1.6
287.20004	100.0
288.20288	3.2
299.20001	27.9
317.21097	11.9
335.22089	1.5
341.20831	1.4
383.22281	1.2
529.24115	1.0
568.21240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.05502	5.1
57.07045	6.5
67.05478	9.1
69.03427	5.5
69.07048	5.6
78.99360	2.1
79.05474	7.7
80.96442	2.0
81.07050	13.3
83.04972	3.9
83.08615	2.3
85.06499	3.8
89.06011	5.6
91.05467	15.4
93.07030	21.1
95.04926	4.9
95.08579	13.0
97.06528	3.1
105.07015	28.4
107.08571	13.9
107.76815	2.3
109.06482	7.5
109.10148	5.1
115.05436	2.9
117.06981	7.9
119.08566	36.1
120.09377	2.9
121.06441	5.6
121.10126	18.8
123.08069	11.9
123.11695	2.5
125.06032	10.7
128.06171	2.8
129.06990	7.7
131.08528	12.5
133.06456	4.6
133.08545	4.2
133.10103	15.6
135.08060	12.2
135.11615	5.8
137.09576	7.5
142.07750	7.4
143.08533	9.3
144.09314	4.9
145.10098	23.9
147.08014	14.1
147.11673	5.1
149.09564	8.1
151.07510	10.1
155.08528	4.3
156.09271	6.3
157.10106	25.8
159.08066	4.2
159.11678	15.9
161.09651	6.8
161.13242	3.2
163.11209	13.1
165.09091	32.7
167.08420	2.9
168.09322	4.3
169.10083	12.4
171.11620	12.8
172.12430	3.5
173.09563	5.9
173.13297	4.7
175.11150	15.2
179.08543	2.7
181.10219	4.3
181.12219	15.7
182.10884	2.8
183.11678	7.8
185.09592	2.9
185.13219	5.3
189.12796	4.1
190.13458	5.9
191.10652	4.2
193.10280	2.4
193.12234	7.6
195.11623	5.2
195.13686	2.1
196.12418	2.5
197.13232	5.1
199.11125	3.8
201.12744	4.3
203.14328	15.4
204.14749	2.4
207.11861	2.9
207.13777	6.6
208.12584	4.0
208.14549	9.9
209.13159	6.1
209.15182	3.2
211.14836	5.1
212.15622	2.4
213.12663	4.0
219.13770	5.3
221.13383	5.0
221.15314	100.0
222.15701	9.5
223.14735	5.1
225.16302	2.9
233.15279	3.0
234.16078	20.2
237.12732	3.2
239.09251	2.6
247.16901	26.4
248.17639	4.3
251.81305	2.1
254.53448	2.8
259.16959	3.0
261.16132	2.8
261.18564	3.8
274.19305	15.7
278.92651	2.2
279.17722	2.6
285.18597	3.2
286.19196	4.6
287.20029	11.7
293.18805	2.9
297.18509	4.1
298.19064	2.9
299.20020	16.4
300.20795	4.3
310.19067	2.6
311.20200	3.5
312.20731	7.5
313.21490	6.6
325.21597	12.8
327.23294	2.4
337.21475	3.3
339.23224	7.0
340.23865	13.8
352.23904	22.8
365.24741	4.5
366.25522	2.9
378.99164	2.5
379.26178	3.9
387.25244	5.0
391.26434	3.1
413.26746	3.5
415.25137	2.4
419.29358	10.6
425.26678	3.7
426.27808	3.1
427.28476	14.2
440.23441	2.8
440.29129	34.3
442.30624	5.2
473.99844	2.6
508.35065	9.6
520.35486	26.9
521.36163	3.3
600.41528	30.6
601.42181	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01818	3.6
55.05506	7.2
57.07065	16.2
59.04980	6.9
60.26607	3.0
60.44288	3.0
61.04112	3.2
62.06203	2.7
67.05486	11.4
69.03413	9.4
69.07040	9.1
71.63496	6.2
79.05484	12.8
81.07042	28.4
83.04966	10.1
83.08597	3.2
84.38133	3.1
85.06518	7.9
89.06014	8.5
90.18794	3.4
91.05473	32.5
92.06263	3.1
93.07032	41.4
95.04967	11.1
95.08577	21.7
97.06521	6.5
102.19346	2.8
105.07010	59.7
107.08572	30.8
109.06506	18.9
109.10133	6.5
111.08056	2.8
117.07011	20.4
119.08559	74.7
121.06477	9.1
121.10120	30.3
122.07320	4.2
123.08045	23.4
125.05948	14.7
128.06207	5.0
129.06981	15.0
129.80377	3.3
130.07777	5.0
131.08548	27.8
133.06458	7.5
133.08539	4.9
133.10098	31.7
134.10834	4.6
135.08015	22.7
135.11667	8.9
137.09575	17.3
141.06992	5.3
142.07748	12.0
143.08551	28.7
144.09317	10.7
145.10089	49.0
147.08049	40.2
147.11688	9.9
149.09549	18.5
151.07474	19.2
151.11226	3.3
155.08522	7.0
156.09312	11.7
157.10107	41.0
158.10919	4.7
159.08052	8.5
159.11678	26.2
160.12213	3.3
161.09567	14.4
161.13255	11.5
163.07538	3.7
163.11185	23.9
165.09111	68.2
166.09444	4.7
167.08479	5.9
167.95923	3.0
168.09300	6.9
169.10114	23.8
170.10823	8.2
171.11658	25.7
172.12378	5.9
173.09648	8.7
173.13240	14.2
175.11139	31.9
175.14864	3.3
177.09041	4.7
178.09897	4.8
179.08516	4.6
179.10521	4.0
180.11472	5.6
181.10156	7.6
181.12230	18.1
182.10832	4.1
183.11674	17.3
185.09668	4.8
185.13206	9.7
187.11142	10.1
189.12711	11.1
190.13548	12.4
191.10664	6.1
193.10098	6.7
193.12233	18.2
194.10812	5.5
195.11670	16.0
195.13506	3.1
196.12367	4.1
197.13217	14.8
199.11140	7.0
199.14867	5.0
201.12761	11.9
203.14268	27.3
204.14543	4.1
207.11653	7.8
207.13776	14.5
208.12527	4.8
208.14590	10.4
209.13194	7.4
210.14035	5.2
211.11145	6.5
211.14848	11.8
212.11975	3.3
213.12726	10.4
215.14369	3.6
219.11807	3.9
219.13788	13.4
221.13383	3.5
221.15324	100.0
222.15663	11.0
223.11169	3.7
223.14790	10.1
225.12627	4.0
225.16322	4.5
227.14091	5.2
229.15892	3.9
233.13284	5.3
233.15300	4.9
234.13939	3.7
234.16057	16.7
237.12750	5.8
241.15785	4.7
245.15337	4.4
247.16968	23.9
248.17563	4.3
251.14186	4.4
253.16005	4.3
259.16943	5.0
274.19247	19.4
281.19156	5.8
285.18848	3.5
287.19995	9.0
297.18433	4.7
299.20132	17.3
300.20523	4.3
311.20059	4.7
312.20712	7.4
313.21460	8.7
325.21667	16.1
337.21594	4.4
340.23856	14.1
352.23886	21.1
365.24539	7.6
366.25198	6.0
379.26291	5.0
387.25067	5.7
391.26132	4.8
392.26575	3.7
392.42114	3.4
413.26941	5.1
419.29510	7.6
420.30362	6.1
425.26755	14.3
426.27173	4.8
427.28378	18.2
440.29181	46.9
463.61356	3.5
519.18237	3.0
520.35291	29.6
539.33203	3.9
581.55859	3.4
600.41302	30.7
607.23468	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	601.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.8
55.01863	5.9
55.05505	18.4
57.03436	4.4
57.07072	5.4
59.04982	3.7
61.02907	7.5
65.03936	4.3
67.05495	57.0
68.99780	8.7
69.03421	40.2
69.07050	25.7
69.42944	32.5
70.06573	3.2
71.04971	18.6
72.08129	3.7
79.05480	28.1
81.03407	57.5
81.07050	100.0
83.04968	12.9
83.08601	8.4
83.68045	3.3
84.08123	3.4
85.02890	25.0
85.06545	9.7
86.09708	3.3
87.00823	12.2
91.05457	28.3
93.07030	49.8
95.04951	28.4
95.08598	48.0
97.02859	24.9
97.06505	12.2
98.20755	7.0
99.04447	13.8
99.08091	4.1
99.39656	2.8
100.11263	5.5
105.01852	6.2
105.07009	47.8
107.04935	6.4
107.08580	77.1
109.02866	31.8
109.06506	25.0
109.10137	92.7
111.04443	6.4
111.08083	9.5
113.05991	4.0
117.06999	10.3
119.08561	39.8
121.06519	17.6
121.10119	32.5
123.04459	6.2
123.08051	15.1
123.11687	96.0
124.03974	3.9
125.05993	5.5
125.09613	15.0
127.03898	34.3
127.11160	8.4
129.01825	7.7
129.06978	6.1
131.08563	20.0
131.09441	3.4
133.06415	6.2
133.10115	19.8
135.08047	38.1
135.11665	23.6
137.05983	10.1
137.09601	56.4
137.13240	9.0
138.09947	4.3
139.11130	5.3
143.08553	7.5
145.04965	8.2
145.10136	29.5
147.02885	3.3
147.04489	3.9
147.08073	14.1
147.11684	18.3
149.09596	28.7
149.13260	3.0
151.03944	4.7
151.07500	7.7
151.11183	15.4
153.09087	7.8
153.12767	18.9
155.08502	5.7
155.10649	4.3
157.10120	13.9
159.08052	13.0
159.11703	15.3
161.09593	21.8
161.13257	10.1
163.03923	3.7
163.07535	29.1
163.11211	10.7
165.09062	31.8
165.12755	5.0
167.07065	8.6
167.10655	6.3
169.10123	5.2
169.12242	12.2
171.08051	5.4
171.11664	11.0
171.13817	4.6
173.09618	12.5
173.13258	9.7
175.07541	5.8
175.11183	12.1
175.14738	5.2
177.05447	3.6
177.09042	6.3
179.06970	4.1
179.10683	6.9
181.08591	4.8
181.12181	5.1
182.15381	5.6
183.10149	5.6
185.09608	5.5
185.13269	9.1
187.05981	4.7
187.07579	3.8
187.14801	11.0
189.09076	3.8
189.12730	6.4
191.10574	5.2
191.14215	5.0
195.11734	3.5
197.13199	8.9
199.11237	3.1
199.14938	3.6
201.12723	6.6
203.06941	5.0
203.14287	9.6
207.13716	8.8
209.13188	3.3
211.11118	6.4
211.14940	5.7
213.03897	9.1
213.12759	10.2
215.14247	9.2
217.15897	7.9
221.15343	4.5
225.12746	5.0
225.90718	2.9
227.14363	6.4
229.12276	3.3
229.15886	10.0
231.04982	6.9
231.13747	3.7
233.15385	4.2
235.16882	7.1
239.16368	4.0
245.15378	19.6
253.19389	4.2
257.19058	4.7
261.14764	3.2
263.16370	12.3
271.20563	8.5
275.19983	8.3
277.18079	4.4
281.19067	4.3
289.21664	8.9
293.21060	10.7
299.20038	51.6
309.13068	3.2
317.21091	60.7
335.22122	49.4
353.23160	10.8
403.67307	4.1
403.72632	3.1
415.24417	3.0
495.77991	3.4
565.26379	5.0
574.50452	4.4
583.27441	6.1
601.28851	49.1
601.39252	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80156	5.9
55.01859	8.5
55.05488	24.7
57.07065	16.6
58.63500	6.3
63.30221	7.1
65.03934	10.5
67.05505	43.5
69.03403	13.0
69.07043	28.8
70.03588	33.1
70.98734	7.6
79.05470	31.1
81.07039	54.6
83.04956	15.1
83.08576	10.1
91.05471	51.4
93.07035	75.0
95.04937	30.9
95.08602	52.9
97.06496	11.7
105.07013	94.1
107.04918	7.9
107.08569	65.4
109.06487	21.7
109.10135	46.2
111.08080	10.5
115.05446	10.4
117.06980	19.7
119.08563	100.0
121.06528	10.7
121.10140	73.6
123.08066	18.5
123.11665	10.8
125.09628	16.9
125.26060	6.6
128.06174	16.1
129.06969	20.9
130.07736	9.3
131.08539	44.5
133.10120	58.6
135.08035	19.9
135.11673	19.9
137.09566	13.3
139.11105	8.8
142.07771	16.2
143.08588	41.7
144.09227	13.6
145.10124	75.5
146.10471	12.6
147.04318	7.2
147.07986	21.2
147.11629	27.3
149.09555	18.5
151.07523	9.3
155.08504	17.3
156.09319	17.2
157.10077	47.3
158.10629	11.6
159.08026	11.7
159.11705	34.9
161.09564	23.2
161.13283	8.5
163.11151	18.0
165.09074	26.4
167.10661	46.2
169.10074	23.7
170.10805	9.2
171.11655	20.9
173.09631	9.9
173.13197	23.2
175.11215	10.3
175.14751	12.0
181.10060	18.3
181.12183	17.4
182.10855	10.4
183.11607	17.0
185.13219	25.2
187.11191	12.5
187.14766	8.3
189.12662	9.6
191.14262	13.1
193.10118	9.4
195.11700	18.7
196.12169	11.8
197.13214	21.6
199.14738	8.5
203.14310	14.6
206.10957	11.9
207.11713	14.5
207.46625	7.6
209.13145	19.3
211.14745	11.3
215.14265	8.1
221.13306	12.2
221.15300	61.9
223.14728	11.8
225.16331	8.5
233.13220	9.0
233.15312	26.4
233.55075	7.5
237.16518	7.6
239.14423	7.6
255.17314	7.3
287.20154	8.7
301.21393	10.0
303.19470	8.9
331.24426	8.2
352.24167	8.0
353.24182	20.3
521.35535	8.6
565.40155	9.3
583.41376	11.6
601.42267	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.9
53.03928	6.9
55.01841	2.8
55.05500	20.5
57.07051	8.0
59.04981	4.7
65.03928	5.3
67.05494	31.3
69.03418	14.6
69.07066	24.3
69.50502	2.0
69.50857	18.3
71.04964	3.2
73.73954	2.0
77.03902	2.3
79.05480	34.2
81.06601	3.0
81.07040	42.6
82.07311	1.7
83.04507	2.2
83.04971	20.9
83.08608	16.7
85.06509	6.2
85.13419	2.1
87.04459	3.9
91.04913	4.0
91.05466	53.9
93.07034	75.2
95.04961	23.5
95.08591	33.6
97.06517	11.3
97.10162	3.0
103.05464	6.1
105.07018	100.0
107.08581	77.9
108.08916	2.2
109.06516	14.2
109.10144	35.2
111.08054	6.4
113.09602	3.7
113.12399	2.3
114.95802	1.8
115.05444	6.7
116.06223	2.6
117.07005	23.5
119.08566	92.1
121.06499	10.3
121.07217	1.8
121.10128	93.2
123.08061	14.1
123.11679	9.9
125.09608	17.7
128.06187	13.4
129.06996	17.7
130.07756	8.2
131.08546	43.9
132.09358	2.8
133.06473	2.6
133.10110	61.2
135.08015	17.5
135.11674	21.0
137.09630	9.1
139.11150	8.2
141.06958	11.8
142.07765	23.9
143.08540	45.4
144.09338	12.4
145.06450	4.4
145.10110	76.9
146.07179	2.4
146.10478	3.2
147.08008	12.4
147.11667	21.1
149.09593	21.4
149.13220	5.5
151.07541	5.5
151.11107	3.0
153.06973	4.8
154.07715	3.4
155.08530	18.6
155.10641	7.1
156.09317	22.6
157.10112	57.4
158.10783	6.8
159.08038	17.0
159.11670	37.3
161.09576	16.6
161.13245	11.4
163.11177	10.5
165.06966	7.8
165.09093	6.4
166.07870	2.9
167.08554	9.6
167.10661	67.3
168.09314	6.9
169.10118	30.7
170.10863	9.7
171.07961	3.6
171.11664	34.9
172.08734	2.9
173.09554	8.2
173.13217	21.8
175.11165	9.0
175.14787	19.3
177.12621	2.2
178.07805	2.3
179.08582	10.3
180.09285	7.8
181.10077	15.4
181.12180	5.2
182.10843	9.6
183.11681	27.4
184.12404	3.9
185.09651	4.2
185.13232	20.2
187.11134	4.7
187.14775	11.0
189.12706	6.5
191.14326	6.5
192.09297	3.4
193.10077	14.0
194.10924	10.3
195.11659	21.2
196.12398	7.8
197.13219	26.0
198.14005	2.9
199.11128	4.8
199.14830	11.4
201.12752	5.1
201.16370	5.8
203.14255	3.1
205.10152	3.8
206.10896	6.9
207.11745	17.4
207.13687	3.2
208.12372	6.9
209.13242	21.4
209.15189	4.2
210.13982	3.8
211.11223	4.9
211.14798	14.9
212.15440	2.6
213.12717	3.8
213.16374	5.0
215.14272	5.6
217.15831	3.8
219.11693	5.5
219.13812	3.1
219.17473	2.5
220.12489	5.0
221.13245	14.9
221.15346	16.1
223.14769	17.4
224.15184	3.1
225.12741	4.4
225.16333	10.8
227.14297	5.9
229.15797	3.3
231.11719	3.0
232.12454	2.8
233.13228	5.4
233.15340	31.9
234.13887	3.8
234.15941	3.1
235.14784	8.2
235.16809	2.3
236.15298	2.6
237.12782	2.4
237.16356	5.4
239.14268	2.6
239.17935	5.4
241.19510	2.8
243.11662	3.6
243.17360	2.9
245.13188	5.4
247.14778	7.0
247.17113	2.8
248.15482	2.8
249.16359	7.1
251.17883	6.1
255.17328	2.4
257.13077	4.1
257.19037	3.4
259.14697	3.3
261.16360	7.9
262.16980	3.1
263.17993	4.3
265.19403	5.6
269.18939	8.3
271.20380	3.2
273.16138	2.7
275.17960	5.5
277.19485	4.5
281.18924	4.1
283.20459	5.7
285.18457	4.9
285.21631	2.6
287.17734	2.6
291.20969	2.8
295.20566	4.0
297.22052	2.7
299.20325	5.0
305.18738	2.5
309.21973	2.4
317.22446	2.9
321.22006	2.3
335.23651	2.1
343.24216	2.8
349.25134	4.2
353.35263	2.0
359.23743	2.3
489.99295	2.0
551.20947	2.4
565.40314	5.5
583.40961	8.6
601.42377	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
55.05502	22.7
57.07064	14.8
59.04982	7.0
65.03934	5.3
67.05494	37.0
69.03414	18.9
69.07059	25.4
69.59285	2.4
71.04961	3.4
71.16421	4.7
79.05477	35.9
80.05775	2.9
81.03396	3.0
81.07043	56.6
83.04976	20.3
83.08598	13.9
83.27074	2.3
84.89377	2.3
85.06522	7.6
91.05468	63.8
93.07029	88.6
94.07312	3.1
95.04953	30.9
95.08591	49.2
97.06506	11.9
97.10130	3.3
103.05450	4.5
105.07016	100.0
106.07320	3.2
107.08576	76.1
109.06515	19.2
109.10131	31.7
111.08059	5.8
111.11707	2.4
115.05443	5.8
117.06994	23.2
119.07730	5.2
119.08559	92.6
120.08860	4.4
121.06465	10.7
121.10131	79.2
122.10401	3.0
123.08064	24.6
123.11742	6.2
125.05949	5.6
125.09626	13.4
128.06198	11.2
129.03311	2.5
129.06998	22.1
130.07816	12.3
131.08553	50.3
132.09381	3.4
133.06490	5.0
133.10120	65.9
134.10519	3.5
135.08035	21.3
135.11636	23.0
137.09584	14.9
139.11139	5.0
141.06953	11.8
142.07742	28.8
143.08565	49.4
144.09302	9.3
145.10101	80.3
146.10457	4.3
147.08032	26.4
147.11693	22.6
149.09601	20.4
149.13258	4.7
151.07507	12.8
151.11174	3.5
153.06982	6.1
155.08539	23.0
155.10609	5.8
156.09312	19.4
157.10110	66.4
158.10735	9.1
159.08035	13.7
159.11668	42.5
161.09634	15.7
161.13203	14.2
163.11176	14.4
165.06958	6.3
165.09090	36.7
167.08624	12.6
167.10655	49.3
168.09361	8.5
168.10831	2.3
169.10086	29.0
170.10808	11.9
171.11656	39.4
172.08736	3.1
172.12096	4.2
173.09564	12.2
173.13245	26.0
175.11145	11.1
175.14818	16.0
176.18620	2.9
177.09203	2.8
177.12694	2.6
179.08534	15.6
180.09306	5.0
181.10135	16.5
181.12198	13.2
182.10788	9.5
183.11658	28.7
184.12372	5.9
185.09630	3.2
185.13223	25.3
186.13701	3.0
187.11124	5.9
187.14798	9.9
189.12694	9.5
191.14226	9.2
192.09270	5.4
193.10043	14.5
194.10817	11.5
195.11682	21.4
196.12399	8.7
197.13263	23.7
198.13608	3.1
199.11284	4.1
199.14781	12.9
201.12683	8.3
201.16324	3.9
203.14293	17.0
204.14676	3.2
205.15738	5.3
206.10817	7.5
207.11656	15.6
207.13799	8.8
208.12363	8.6
209.13261	27.8
209.15125	3.3
210.13765	5.9
211.11186	3.0
211.14790	16.0
212.15517	6.2
213.12686	8.1
213.16341	5.1
215.14172	6.7
217.10289	2.6
217.15839	4.7
219.11649	6.1
219.13657	3.6
220.12433	5.8
221.13245	14.8
221.15332	80.0
222.15630	8.6
223.11238	3.3
223.14822	13.8
224.15387	3.0
225.12692	5.9
225.16342	9.4
227.14336	6.1
232.12428	3.1
233.13217	6.9
233.15343	21.1
234.15858	5.8
235.06940	2.7
235.14722	9.1
235.16884	4.6
236.15329	4.8
237.16310	7.5
239.17863	7.1
241.15749	4.8
243.11606	3.6
245.13161	4.4
246.13972	3.7
247.14737	8.3
247.16983	6.3
249.16278	6.2
251.17876	7.1
253.19617	3.4
255.17372	4.9
259.14548	3.2
260.15546	3.3
261.16348	6.3
262.17197	3.1
263.17804	6.0
265.19470	6.5
269.18930	7.0
275.17825	4.5
277.19574	6.4
281.18857	3.8
283.20419	7.9
286.18945	4.7
287.17538	3.4
287.20349	4.3
293.18817	3.0
295.20331	4.0
299.19962	6.5
301.21558	7.3
313.21417	4.0
317.22592	3.7
321.21631	3.1
331.23911	4.2
335.23569	3.2
349.25214	4.4
352.23929	6.6
353.24353	8.9
365.24658	4.2
366.25165	3.5
367.26242	4.4
375.27219	4.5
393.28226	4.0
427.29880	3.0
436.78104	2.8
491.34952	5.4
503.35736	3.2
509.35306	3.5
521.35864	6.4
565.40131	6.2
583.41632	14.2
601.42407	49.5
602.42072	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
53.86114	2.8
55.05501	17.6
57.07059	11.8
57.90314	2.6
59.04982	4.5
65.03927	5.6
67.05498	31.9
69.03416	24.1
69.07050	19.7
71.16401	4.4
71.16721	3.4
79.05483	38.3
81.07042	42.7
83.04972	21.6
83.08598	15.6
85.06529	7.9
91.05462	55.4
93.07034	84.6
95.04951	31.5
95.08588	41.2
97.06513	10.8
97.10143	3.2
103.05475	7.6
104.77570	2.6
105.07017	100.0
106.07294	4.3
107.04964	3.2
107.08571	73.4
109.06516	19.5
109.10133	32.0
111.08070	4.5
113.09608	3.3
115.05415	3.6
116.06178	3.7
117.06993	22.6
119.08562	96.1
121.06485	16.0
121.10127	84.5
122.10481	4.3
123.08053	18.5
123.11686	10.8
125.05958	7.5
125.09589	11.3
128.06204	14.4
129.06978	18.1
130.07768	7.9
131.08568	36.3
133.06439	8.2
133.10110	55.1
135.08026	27.5
135.11682	17.7
137.09579	18.4
139.11153	4.9
141.06995	8.5
142.07759	25.5
143.08556	45.2
144.09297	9.5
145.10101	65.2
147.08052	28.0
147.11688	22.8
149.09636	17.6
151.07500	13.9
153.06996	3.7
154.07776	4.8
155.08563	16.6
156.09346	16.9
157.10106	60.2
158.10765	8.2
159.08037	18.4
159.11674	35.9
161.09587	19.3
161.13214	12.5
163.11163	18.6
165.06996	6.6
165.09097	48.6
166.07765	3.5
167.08524	9.3
167.10652	54.6
168.09254	8.3
169.10132	34.0
170.10774	14.9
171.11641	37.6
172.12350	6.9
173.09602	10.1
173.13234	26.1
174.10060	2.9
175.11163	13.0
175.14774	12.8
179.08536	12.0
180.09238	4.9
181.10110	17.4
181.12183	13.2
182.10852	8.6
183.11670	25.5
184.12357	8.3
184.84546	2.6
185.09592	5.3
185.13225	27.0
187.11105	4.6
187.14772	12.1
189.12688	11.1
191.14317	9.2
192.09274	4.4
193.10114	14.6
194.10927	7.3
195.11676	23.0
196.12396	9.9
197.13249	28.0
199.11090	6.6
199.14783	12.2
201.12729	7.1
203.14313	24.2
205.10098	5.4
206.10867	8.5
207.11639	13.9
207.13791	8.2
208.12354	6.6
209.13211	22.2
209.15103	5.5
210.13898	6.8
211.14775	14.2
213.12657	7.4
213.16296	6.1
215.14383	3.3
217.15831	3.6
219.11670	6.3
220.12375	5.0
221.13211	12.2
221.15292	86.5
221.77193	3.0
222.15727	11.8
223.14751	18.1
225.16339	11.2
231.11717	4.3
231.13843	3.9
232.12390	3.3
233.13181	8.2
233.15355	21.6
234.15884	4.5
235.14731	10.1
235.16856	4.4
237.16441	6.3
239.17943	6.2
245.13121	3.9
246.14040	3.8
247.14688	4.5
247.16988	5.0
249.16406	7.4
251.17862	9.5
253.19742	3.6
255.17181	4.3
257.18896	3.3
259.14636	3.6
260.15442	3.5
261.16296	7.2
263.17883	4.5
265.19482	10.4
267.17349	5.0
269.18863	4.4
271.16800	2.8
277.19534	4.9
283.20493	7.9
287.19971	10.3
289.19388	2.8
293.19040	4.3
293.64444	3.2
297.22122	4.7
299.20016	4.8
300.20584	3.3
301.21567	7.2
303.19550	6.0
304.19748	6.2
311.19980	4.6
312.20917	3.9
347.23770	3.8
348.98520	3.1
349.25143	4.1
352.23962	4.6
353.24326	13.5
361.25000	3.3
365.24774	4.3
366.25049	4.3
367.26193	7.8
379.26431	4.0
491.34937	4.1
503.35144	5.6
521.35675	6.3
565.40198	6.1
583.41583	13.4
601.42267	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.05499	23.1
56.46714	2.2
57.03400	1.9
57.07059	13.8
59.04987	3.7
65.03922	6.7
67.05192	2.6
67.05498	37.7
69.03417	12.7
69.06731	2.5
69.07054	27.6
69.39232	12.5
69.39651	9.6
71.04970	4.1
79.05480	37.1
81.03381	7.7
81.07040	47.7
83.04968	20.2
83.08596	16.8
85.06505	5.3
87.04437	6.1
89.06009	5.0
91.04918	4.3
91.05465	64.4
93.07025	84.7
94.07851	2.3
95.04949	25.0
95.08594	46.5
97.06516	18.4
97.10140	4.0
98.20900	10.7
103.05473	5.2
103.26281	2.0
105.07008	100.0
106.07294	2.9
107.04893	3.7
107.08575	86.6
109.06496	15.6
109.10132	38.9
111.08042	7.0
113.09608	5.0
115.05403	7.5
116.06228	4.0
117.07005	26.6
119.06092	2.9
119.08559	97.7
120.08860	2.5
121.06499	12.8
121.10123	88.1
123.08050	19.6
123.11673	8.8
125.05939	3.8
125.09622	16.4
128.06194	14.5
129.06976	21.5
130.07732	8.0
131.08551	57.2
133.06451	4.9
133.08585	3.0
133.10101	66.2
135.08031	20.0
135.11667	23.9
137.09593	12.8
139.11131	6.1
141.06976	10.5
142.07782	20.8
143.08539	42.4
144.09348	12.8
145.06471	2.7
145.10092	75.7
146.10481	2.7
147.08029	15.6
147.11650	25.2
149.09616	20.5
149.13239	4.9
151.07545	5.4
151.11156	3.4
153.06953	2.6
153.09113	2.4
154.07687	6.2
155.08546	18.4
155.10645	6.8
156.09311	19.5
157.10103	60.6
158.10777	5.0
159.08055	16.1
159.11673	39.9
160.05222	2.5
161.05956	3.8
161.09573	15.0
161.13229	9.2
163.11156	9.9
163.14774	2.6
165.06967	5.9
165.09097	11.7
166.07782	3.0
167.08478	8.8
167.10643	69.8
168.09299	6.5
169.10118	29.3
170.10818	7.2
171.11650	45.3
173.09554	9.1
173.13217	27.8
175.11151	9.2
175.14801	16.7
178.07742	3.1
178.40941	2.2
179.08536	12.4
180.09193	6.3
181.10065	20.0
181.12248	4.5
182.10864	11.8
183.08191	2.8
183.11661	30.7
184.12346	3.8
185.09586	6.0
185.13240	19.2
186.13657	2.2
187.11136	7.4
187.14751	11.4
187.27585	2.1
189.12666	5.5
189.16350	2.5
190.13336	2.4
191.08597	3.8
191.14255	9.5
192.09244	4.7
193.10132	11.9
193.11874	2.2
194.10899	11.6
195.11691	23.2
196.12352	7.4
197.13243	30.5
199.11099	4.9
199.14780	12.4
201.12686	7.0
201.16333	6.4
203.14249	9.5
205.09987	2.5
206.10846	5.1
207.11655	16.8
207.13531	3.4
208.12448	7.1
209.13252	25.2
209.15222	4.4
210.13864	4.3
211.11086	3.2
211.14775	18.4
212.15433	2.4
213.12730	5.0
213.16368	5.4
215.14244	5.0
217.10152	3.1
217.15790	4.0
219.11696	4.1
220.12367	2.8
221.13190	14.4
221.15332	30.9
222.13818	3.8
223.14764	18.9
224.15236	3.7
225.12758	3.7
225.16409	11.1
227.14317	3.0
227.17946	3.6
229.15871	2.3
231.11678	3.1
232.12415	3.4
233.13193	6.1
233.15298	36.0
234.13940	4.9
234.15971	4.0
235.14772	10.7
235.16812	3.6
237.12717	4.4
237.16385	8.7
239.14249	2.7
239.17928	4.8
241.15753	3.6
244.12234	3.0
245.13229	4.4
246.13960	2.4
247.14729	8.3
249.16422	7.8
251.17931	7.4
253.15785	3.5
253.19586	3.3
257.18973	2.9
259.14716	4.5
261.16330	8.3
263.17896	4.7
265.19510	4.7
267.17194	2.4
269.18985	13.0
271.13293	2.4
273.16153	4.3
273.18719	3.6
275.17868	6.5
277.19473	4.7
281.19019	6.1
283.20544	7.1
285.18600	4.6
287.20181	3.2
293.18845	2.7
295.20547	6.5
297.22156	2.9
299.20093	3.9
301.21774	3.9
307.20477	2.9
311.20261	2.4
313.27185	2.7
331.24240	2.9
355.34576	2.3
361.25003	2.8
375.26663	3.4
377.24905	2.9
393.27924	2.3
491.35056	2.9
565.40259	4.3
583.41284	10.1
601.42230	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	8.5
55.05500	28.6
57.07063	9.5
59.04985	3.7
60.00388	2.7
67.05495	33.4
68.88282	2.6
69.03417	11.7
69.07057	24.7
70.85655	8.3
74.67393	2.4
79.05473	33.0
81.03397	7.5
81.07040	55.3
83.04962	24.4
83.08599	19.7
84.94864	2.8
85.06509	4.1
87.04449	6.6
90.15501	2.8
91.05466	60.1
93.07033	88.2
95.04952	25.9
95.08587	45.1
97.06522	18.0
98.19086	2.4
99.08070	3.5
103.05434	5.5
105.04520	3.0
105.07013	100.0
105.07723	5.8
106.07348	3.1
107.04977	5.6
107.08577	81.9
109.06482	18.7
109.10133	37.5
111.08048	5.6
111.11714	3.3
113.09618	4.2
115.05421	6.6
116.06239	2.7
117.06993	26.5
119.04907	2.8
119.08556	96.0
119.09418	5.8
120.08920	3.1
121.06504	14.3
121.09251	5.9
121.10123	93.4
123.08058	18.6
123.11673	9.3
125.09606	13.7
128.06192	13.6
129.06975	22.4
130.07762	9.6
131.08551	49.8
133.06505	7.9
133.09171	5.5
133.10109	70.4
135.08035	21.5
135.11659	20.9
137.09567	13.4
139.11121	6.3
141.06978	13.3
142.07750	25.1
143.08540	51.1
144.09291	10.5
145.06468	4.6
145.08968	4.4
145.10101	72.3
146.07181	2.7
146.10484	4.8
147.07999	12.5
147.09019	2.7
147.11674	25.7
149.09578	22.0
149.13264	4.0
151.07523	7.1
151.11110	5.4
153.06970	2.9
154.07802	6.6
155.08510	21.4
155.10583	6.6
156.09285	17.4
157.10104	61.7
158.10800	8.3
159.08060	17.9
159.11664	46.2
161.09645	16.6
161.13248	6.0
163.11171	10.2
163.14880	2.7
165.06952	8.7
165.09113	6.9
167.08537	10.5
167.10658	67.9
168.09352	6.5
169.10098	33.2
170.10881	8.5
171.11676	36.4
172.12363	4.3
173.09607	6.9
173.13225	28.3
175.11177	10.4
175.14819	19.9
177.12761	3.5
178.07861	3.3
179.08572	12.8
180.09239	8.7
181.10092	21.5
181.12192	7.8
182.10858	9.2
183.11665	29.4
184.12363	3.5
185.09549	5.2
185.13257	21.0
187.11166	8.4
187.14786	10.9
189.12665	6.8
191.14320	6.4
193.10101	14.8
193.11722	3.0
194.10843	8.5
195.11664	26.1
196.12401	10.9
197.09529	3.4
197.13232	28.9
198.13849	4.4
199.11154	5.1
199.14806	15.7
201.12679	6.0
201.16281	8.7
203.14290	6.6
206.10915	6.5
207.11650	12.8
208.12444	6.0
209.13208	29.7
209.15109	4.8
210.13895	7.4
211.11270	3.3
211.14832	19.1
213.12727	8.1
213.16411	4.6
215.14351	6.2
217.10016	4.0
217.15942	5.5
218.10858	3.6
219.11766	5.2
220.12383	6.4
221.13211	15.5
221.15334	17.9
223.11203	5.4
223.14760	18.6
225.12706	3.1
225.16360	10.4
227.14287	7.5
229.15855	2.8
231.11624	4.1
232.12396	4.1
233.13177	8.8
233.15355	39.7
235.14723	7.3
235.16925	4.6
237.12727	4.7
237.16406	6.4
239.17847	5.2
244.12486	4.5
245.13216	4.5
247.14848	5.1
249.16379	9.0
251.17920	9.8
252.18196	3.5
259.14786	6.1
260.15604	4.3
261.16489	5.9
263.18011	6.5
265.19464	4.2
269.18958	8.7
273.18594	4.4
275.17953	7.9
277.19437	4.3
279.20837	3.5
281.18967	4.5
283.20435	4.4
289.19269	4.4
295.20517	5.2
315.20691	3.9
349.25110	5.0
361.25320	3.9
435.99457	2.6
491.35037	4.6
548.47278	3.1
565.39874	4.1
583.41205	7.0
593.25287	2.8
601.22852	6.5
601.42578	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	602.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
60.98634	0.3
69.03400	0.7
69.79546	0.6
69.79961	1.9
70.06566	0.5
78.04700	1.3
79.05482	2.6
81.03384	0.5
81.07013	0.4
85.02891	1.7
86.09703	0.3
91.03998	0.3
91.05492	1.7
93.07037	0.6
95.04935	1.1
95.15692	0.3
97.02862	1.0
103.05456	4.0
105.07016	4.0
106.04139	1.1
107.04939	6.5
109.02856	0.6
109.06490	0.4
111.11790	0.4
115.05437	1.4
117.06994	1.0
118.04113	0.3
119.04910	0.4
119.64978	0.3
121.06494	2.0
123.04416	4.9
123.08023	0.6
124.05212	2.5
125.05952	0.6
129.06984	0.6
131.04907	5.3
131.08560	0.7
133.06471	4.5
135.08037	1.3
137.05943	2.7
141.06967	0.9
143.04964	0.6
144.05664	0.5
145.05000	0.3
145.06467	2.4
145.10133	0.4
147.04376	1.5
147.08014	0.7
151.03903	1.0
151.07536	3.0
152.04678	2.3
153.05515	0.7
156.05743	0.4
157.06491	0.4
158.07240	0.8
159.08015	1.0
161.05957	5.3
162.07567	0.4
163.07518	12.5
165.09106	0.6
166.06201	0.3
167.07016	100.0
168.07463	1.6
173.05914	1.5
173.09583	1.0
175.07518	1.3
177.09065	2.8
179.06996	3.0
180.08633	0.6
181.08549	4.3
186.06677	0.3
187.07489	2.5
187.76003	0.3
189.09109	0.8
192.07787	0.9
193.08580	15.9
195.10178	0.5
201.09126	1.5
203.08727	0.5
205.08554	1.1
207.08371	0.3
207.10191	0.9
217.08588	0.7
219.10115	2.2
231.08038	0.7
233.11693	3.5
237.11177	2.8
248.08292	0.6
251.12709	1.7
263.10638	1.0
291.10052	0.9
295.13290	1.1
323.12698	2.1
355.15335	13.5
356.15576	0.5
369.16843	0.4
387.17987	11.6
404.13358	0.3
405.19037	21.3
406.19635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
57.07066	6.2
58.06601	2.6
64.90996	0.5
67.05499	0.5
69.58557	2.7
69.58978	2.0
69.87382	0.5
70.06576	20.8
71.08607	4.2
72.08111	0.5
75.41475	0.5
81.07045	0.9
84.08120	0.6
85.02876	1.1
87.07505	0.6
88.07616	24.9
93.07037	0.6
98.09689	0.8
102.09161	17.5
105.03387	0.8
105.07018	0.7
107.08605	0.9
109.10158	0.6
121.10062	0.7
123.04408	0.7
131.04903	0.8
132.06743	0.5
139.03885	0.8
142.12219	0.7
146.11800	0.7
147.04379	0.9
149.02316	40.2
156.17520	1.1
175.03903	2.0
177.05504	1.1
191.06937	0.6
193.04936	52.6
194.05331	0.6
200.20061	61.1
201.20445	1.0
208.97041	0.6
219.06494	1.1
225.05460	1.0
237.07547	14.0
244.22731	1.1
269.04453	1.5
292.59555	0.5
297.03815	2.8
313.07098	2.4
314.87314	0.5
341.06485	10.9
359.07587	6.9
385.09122	18.8
429.11737	33.9
584.28589	2.2
602.29480	100.0
603.29761	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19104	4.9
53.03936	14.7
54.81937	4.4
55.01852	7.9
55.05500	8.4
57.03418	7.2
61.02887	7.0
67.05486	32.6
69.03414	24.0
69.07050	10.1
70.06561	7.5
71.04971	10.7
71.68147	6.3
73.02897	4.6
79.05484	15.7
81.03391	18.6
81.07054	49.4
82.95679	4.7
85.02901	42.7
86.18285	5.0
87.00809	21.8
91.05453	30.1
93.07025	70.7
95.04936	13.6
95.08586	64.2
97.02866	20.5
99.04428	18.1
105.01827	14.8
105.07020	47.3
107.08585	43.5
109.02861	17.5
109.06509	7.4
109.10132	23.0
111.08045	14.1
117.01904	4.8
117.06977	10.2
119.08588	46.0
121.06538	5.8
121.10145	39.0
123.08039	7.3
123.11700	10.5
127.03907	31.4
131.08539	19.2
133.10115	28.5
135.08055	5.5
135.11659	13.0
137.09558	6.2
143.08516	8.1
145.04965	11.8
145.10068	23.7
147.11652	29.2
155.08551	6.0
157.10132	12.1
159.02905	12.1
159.11655	28.6
161.13235	21.5
163.11159	7.6
163.14806	8.2
171.11650	10.7
173.13255	9.4
175.11125	6.7
177.12790	7.8
185.13184	8.9
187.14758	10.1
189.12645	5.9
199.14830	10.5
201.16331	15.4
205.15839	6.5
223.14894	6.8
227.17929	14.5
245.18915	7.7
255.21039	12.6
273.22128	6.3
283.20541	19.6
301.21585	100.0
319.22693	11.8
367.02975	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01859	3.8
55.05502	14.3
57.03426	2.9
57.07056	6.1
59.04980	3.1
61.02903	6.6
67.05493	35.5
68.99780	10.5
69.03421	30.0
69.07056	23.1
70.06570	8.7
71.04977	16.9
71.15817	5.6
72.08133	3.8
79.05486	19.4
81.03415	24.3
81.07046	82.6
83.04992	7.4
83.08604	5.9
84.08133	3.3
85.02873	19.1
85.06522	5.6
87.00823	8.0
91.05472	19.8
93.07034	36.7
95.04948	17.3
95.08587	39.6
97.02873	12.4
97.06519	11.2
97.10161	4.9
99.04441	5.3
99.08089	4.3
105.01863	4.5
105.07012	32.3
107.08582	39.6
109.02861	12.0
109.06499	12.9
109.10138	69.4
111.04424	3.8
111.08062	2.8
113.09653	5.3
117.06960	3.8
119.08556	32.8
121.06490	9.9
121.10132	35.3
123.04443	7.1
123.08082	9.0
123.11688	100.0
125.05978	3.8
125.09614	13.2
127.03896	20.2
127.11162	8.7
129.01823	6.8
131.08553	21.4
133.10107	25.2
135.08031	9.6
135.11671	18.9
137.05959	4.6
137.09599	19.3
139.03831	3.6
139.11188	7.0
142.07732	3.8
143.08536	8.9
143.40532	2.9
145.10103	20.6
147.07999	6.2
147.11676	16.7
149.05971	3.3
149.07495	3.2
149.09583	20.4
149.13272	4.7
151.11136	20.6
153.01733	3.2
153.09073	5.0
153.12827	3.8
155.08528	5.7
157.10074	13.7
159.08032	5.9
159.11655	13.9
161.09572	22.3
161.13226	4.7
163.07474	6.7
163.11168	7.4
164.07103	2.9
165.09067	17.0
167.10690	5.3
169.10118	3.9
169.12263	8.3
171.11671	7.1
173.09494	6.7
173.13213	13.8
175.11121	17.5
175.14854	4.1
177.09142	12.4
177.12721	4.1
179.10657	5.4
185.13251	7.3
187.14760	15.2
189.12778	6.2
197.13226	4.5
199.11140	5.0
199.14818	6.7
201.12753	3.1
203.14299	4.7
207.10251	3.1
209.13306	3.5
211.14836	4.9
213.03940	4.6
213.12650	6.3
213.16396	10.1
215.14333	12.1
217.12318	3.6
219.13416	2.7
229.15636	4.1
231.04990	4.2
231.17453	12.7
233.15329	3.3
247.16953	5.7
255.21071	5.6
259.20715	4.2
263.16409	4.1
265.17789	6.3
273.22125	16.7
277.21649	4.6
283.20523	9.7
291.23166	8.9
301.21555	60.2
303.04974	4.1
319.22610	49.7
337.23663	28.6
353.20099	3.3
381.22949	3.9
423.42590	3.2
427.24661	3.2
441.20206	3.6
514.16986	3.0
585.28925	10.8
603.29883	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	605.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86458	3.7
53.03936	6.9
55.01865	20.9
55.05506	28.8
57.03422	8.7
57.07066	56.9
67.05497	80.7
69.07061	31.2
71.04976	4.3
71.08620	34.7
71.67953	6.1
79.05482	45.0
81.06558	5.3
81.07043	97.2
83.04957	6.3
83.08596	24.0
85.10157	16.4
91.05461	37.8
93.07023	46.0
95.04944	10.4
95.08590	63.2
97.06506	20.7
97.10148	16.8
105.06998	47.1
107.04959	21.1
107.08591	36.4
109.06501	16.7
109.10143	31.5
115.05426	3.9
115.10022	4.0
117.06985	10.1
119.08565	34.8
121.06422	4.6
121.10130	16.6
123.08083	7.1
123.11676	15.0
125.09623	9.1
129.06987	5.4
131.08571	21.0
133.10094	25.4
135.08008	6.3
135.11702	11.2
137.09624	6.2
140.40263	4.3
143.08598	5.5
145.10126	23.6
147.11661	23.1
149.09576	24.6
149.13290	5.4
151.11163	5.6
157.10112	6.3
159.11696	15.5
161.09671	5.0
161.13261	6.7
163.11189	11.2
165.12701	5.5
169.10092	6.1
171.11658	6.5
173.13278	8.5
189.11154	5.9
197.13383	9.8
227.12796	9.7
229.19502	6.6
239.17972	7.2
239.23564	9.0
242.35791	4.1
257.19073	12.1
275.20032	100.0
293.20865	10.4
313.27301	63.0
331.22540	6.0
349.23773	38.7
587.46649	34.6
605.48871	35.3
606.48724	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	606.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01859	1.8
55.05484	6.1
57.07045	1.9
67.05487	12.4
69.03402	4.5
69.07050	4.7
70.44051	7.0
71.16138	1.4
79.05464	11.4
80.04992	5.1
81.03393	9.9
81.07040	31.3
82.06567	28.2
83.04960	2.8
83.08586	3.5
85.02870	3.0
91.05471	11.5
93.07017	12.1
94.06556	29.0
95.04941	5.2
95.08584	5.2
97.02856	2.3
97.06486	2.0
105.07020	3.9
107.04924	4.9
107.08569	6.2
108.08099	16.4
109.06490	2.7
109.10155	1.9
111.08001	1.9
117.07022	2.4
119.04961	1.8
119.08510	3.3
121.10105	3.3
124.07554	14.1
127.03917	2.8
131.08562	3.9
135.11670	2.4
136.07550	14.3
137.05978	3.3
139.03905	1.9
142.07506	2.2
142.08600	43.7
147.11731	2.2
149.13231	3.4
154.08601	100.0
159.11700	1.7
165.12794	2.1
172.09590	10.1
195.13795	2.2
242.95641	1.7
269.17517	2.2
282.24277	1.8
292.75729	1.7
396.31030	10.8
408.31149	14.1
426.32098	54.9
427.32349	2.4
443.02109	1.8
606.41620	3.5
607.34412	9.5
607.43359	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	607.2538
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05477	0.7
69.45102	0.9
69.45533	1.0
78.81469	0.2
79.05459	0.2
81.07047	0.5
83.32641	0.2
91.05467	0.4
93.07017	0.5
95.04950	0.5
105.07014	0.3
106.06566	0.2
106.55412	0.2
115.15514	0.2
119.64523	0.2
131.08575	0.4
144.08092	0.2
147.46326	0.2
149.17819	0.2
170.04333	0.2
195.09181	0.3
197.10872	0.3
204.06479	0.3
204.94872	0.2
207.09190	0.3
209.10710	0.5
223.12206	0.5
233.10663	0.3
248.95107	0.2
273.18576	0.4
298.68866	0.2
312.14667	0.2
348.15131	0.2
373.14685	0.3
374.15213	0.5
375.16113	0.8
376.17252	0.4
377.17679	0.3
382.15161	0.3
386.16238	0.2
387.16266	0.8
388.16827	0.9
389.17529	3.2
390.18185	1.3
391.19238	1.4
392.19971	0.3
399.15759	0.3
401.17749	0.7
402.14514	0.7
402.18454	0.7
403.15265	0.9
403.19492	4.5
404.20078	2.3
405.16241	0.3
405.20776	3.3
406.21689	0.4
407.22339	0.4
414.18048	0.2
415.14688	0.3
415.19376	0.6
416.15405	1.2
416.20789	0.5
417.16080	4.1
417.21048	2.3
418.17752	1.3
418.21811	0.9
419.22391	6.9
420.23151	1.4
429.16672	0.4
430.17493	1.5
431.18259	8.5
432.19080	3.9
433.20105	4.3
433.25217	0.3
434.21222	0.2
435.21735	0.3
441.16895	0.2
443.18378	0.4
444.19592	0.4
445.20166	6.3
445.29398	0.3
446.20929	10.0
447.21680	9.4
447.27417	0.4
448.22263	0.8
459.17526	1.1
459.21985	1.7
460.18607	0.9
460.23441	0.5
461.19501	2.2
462.24115	0.7
463.20996	0.9
463.25635	0.6
473.19366	0.8
473.23938	0.8
474.20306	5.7
475.21030	5.5
477.22818	0.8
478.23517	0.9
487.21368	1.7
488.22040	0.5
490.23492	0.7
491.19818	3.2
501.22763	1.1
502.23398	0.4
503.25189	0.3
504.21423	0.6
505.22354	0.7
506.23233	0.7
519.23999	17.8
520.24023	0.8
529.22241	0.4
532.20972	0.5
547.23291	13.2
548.23773	0.7
551.26599	0.5
561.24762	0.5
579.25909	6.4
580.26031	0.3
589.24377	0.4
607.25409	100.0
608.25763	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	607.2538
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05418	0.5
67.05395	2.1
69.06986	0.6
71.05421	0.7
79.05363	1.5
79.05779	0.5
81.06936	2.2
91.05344	2.3
93.06896	1.4
95.08508	1.0
105.06888	2.3
107.08507	0.7
109.10038	0.8
117.06925	0.8
119.08460	1.0
121.09998	0.4
121.66778	0.5
128.99237	0.4
129.06836	0.6
131.08421	0.6
133.10023	1.0
145.09924	0.6
147.11610	0.5
159.11589	0.6
173.13011	0.6
197.10701	0.6
219.17314	1.8
221.10588	0.7
248.11798	0.5
275.19901	1.4
309.12085	0.4
311.35989	0.4
373.14374	0.5
374.54514	0.5
375.15799	1.2
377.17346	0.5
387.16125	0.6
388.16660	1.7
389.17566	3.6
390.18369	1.0
391.19080	1.3
401.17715	1.1
402.14011	0.7
402.18436	1.2
403.19382	6.2
404.20218	2.4
405.20828	2.5
415.19580	0.8
416.16190	1.7
416.20715	0.7
417.16058	4.8
417.20935	2.5
418.17026	0.8
418.21484	1.5
419.22382	7.4
420.22964	1.0
429.17120	0.8
430.17905	1.9
431.18237	10.5
432.19098	3.2
433.19934	3.6
444.19186	1.0
445.20206	6.7
446.20926	7.4
447.21683	10.6
448.22363	0.7
459.17752	2.1
459.22269	1.6
460.18927	1.3
461.19653	1.5
463.25513	1.0
473.23788	1.2
474.20334	11.8
475.21146	13.9
476.21817	0.5
477.23074	0.8
487.21243	2.1
488.22177	0.6
490.23550	1.6
491.20581	1.5
501.22858	1.3
519.23932	12.8
520.24530	0.7
529.22180	1.0
532.20978	0.8
547.23303	74.2
548.23547	3.1
561.24695	2.3
579.25842	4.2
589.24384	1.2
607.25415	100.0
607.43274	3.3
608.25793	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.03935	0.5
55.01855	0.3
55.05495	1.2
57.03421	0.4
57.30595	0.2
60.91607	0.3
67.05492	4.2
69.03410	1.0
69.07051	1.5
69.58698	1.2
69.59107	0.7
71.04979	0.3
79.05482	3.1
81.03396	4.0
81.07038	5.4
83.04958	1.1
83.08602	0.9
85.02868	0.5
91.05462	2.1
93.07027	3.7
95.04958	0.9
95.08575	1.9
97.02876	0.7
97.06535	0.8
98.20721	0.5
105.07001	1.5
107.04942	0.5
107.08582	2.0
109.02866	0.7
109.06483	0.4
109.10152	0.3
111.04442	0.6
111.08026	0.3
117.07022	0.8
119.08562	0.8
121.06488	0.3
121.10108	1.2
122.37630	0.2
123.11665	0.4
127.03888	0.5
129.06960	0.4
131.08530	1.3
133.06381	0.3
133.10132	0.8
135.11702	0.7
139.03798	0.3
143.08546	0.3
144.08057	0.3
145.10144	0.3
147.11658	0.6
149.13242	1.5
159.11708	0.9
177.12737	0.8
183.06554	0.3
183.09193	0.3
195.13802	1.1
219.13739	0.3
247.12077	0.3
267.15820	0.5
269.17471	0.8
337.15875	0.2
339.18030	1.0
373.14673	0.4
374.15118	0.4
375.16217	0.7
377.18176	0.3
387.16177	0.5
388.16910	0.8
389.17621	2.9
390.18115	1.2
391.19214	0.7
392.19940	0.3
395.20670	0.8
401.17664	0.7
402.14194	0.5
402.18527	0.8
403.19443	4.5
404.20126	1.7
405.20776	3.2
407.22305	0.4
415.19333	0.6
416.16388	1.0
417.17038	3.4
417.21051	2.2
418.17667	0.8
418.21771	0.9
419.17401	0.5
419.22351	5.6
420.23035	0.8
429.16489	0.3
430.17014	1.2
431.18085	6.7
432.18997	3.1
433.20038	4.0
434.20450	0.3
435.21622	0.3
444.19528	0.5
445.19919	4.8
445.29559	0.6
446.20905	7.4
447.21686	8.1
447.27460	0.5
448.22888	0.4
457.19998	0.3
459.17691	1.2
459.23352	1.2
460.18243	0.5
460.23410	0.5
461.19321	1.9
462.24420	0.5
463.20142	0.5
463.30869	0.8
473.19437	0.9
473.24463	0.4
474.20325	5.2
475.21036	5.2
476.21860	0.3
477.22855	0.5
478.23398	0.7
487.21640	1.4
488.22061	0.5
490.23468	0.8
491.21024	2.2
491.25595	0.3
501.22791	1.1
503.24393	0.4
504.21591	0.4
505.22372	1.0
506.23236	0.5
519.24017	15.5
520.24445	0.6
529.22070	0.3
532.20941	0.3
547.23309	12.0
548.23602	0.7
551.26538	0.4
561.24597	0.5
579.25916	5.6
589.24060	0.3
607.25446	100.0
607.34186	6.0
608.25751	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	607.2899
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
53.30112	0.3
60.83294	0.3
74.14803	0.3
74.63760	0.3
80.11848	0.3
80.78008	0.3
83.50545	0.3
98.21286	1.4
100.93642	0.3
153.84747	0.3
155.67827	0.3
229.88992	0.3
230.04314	0.4
338.03601	0.3
389.17618	0.6
402.18268	0.5
403.19131	1.4
404.20053	0.9
405.20758	1.1
415.19278	0.5
416.20367	0.5
417.16196	0.5
417.21375	2.0
418.21567	0.8
419.22461	2.1
430.17429	0.5
431.18137	4.7
431.24011	0.4
432.19360	1.2
433.24014	6.1
434.24399	0.9
445.19809	5.5
446.20532	3.0
447.21860	4.0
459.21329	2.6
460.22388	10.3
461.23251	9.9
462.23676	1.1
473.23959	2.1
474.24124	1.2
477.22931	0.4
487.25012	1.7
488.25125	0.4
489.22913	0.4
491.20126	0.4
491.24490	0.3
492.25024	0.7
505.21579	2.2
506.26837	0.5
515.24402	0.6
518.23071	0.6
519.24188	1.6
531.69879	0.4
532.24713	0.9
533.25037	0.5
547.26947	22.5
548.27240	1.6
575.26434	0.8
579.29681	0.6
607.29047	100.0
608.29492	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	607.2897
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
61.51767	0.4
61.77854	0.4
64.12115	0.6
69.65656	2.9
71.10547	0.5
78.52962	0.4
78.71609	0.5
80.16472	0.4
85.01914	0.4
180.65399	0.5
209.10529	0.5
221.10698	0.5
336.14783	0.6
373.14359	0.5
387.16025	0.5
388.16669	1.2
389.17355	1.8
390.18591	0.8
401.17474	0.8
402.18317	1.8
403.19171	5.8
404.19479	2.2
405.20563	2.6
415.19180	1.7
416.15387	0.9
416.19913	1.8
417.16083	1.2
417.21207	7.1
418.21350	3.4
419.22284	6.0
429.20969	0.9
430.16953	2.3
431.18094	13.0
432.18405	2.7
433.23969	20.1
434.24249	2.5
444.18967	0.8
445.19763	17.6
446.20621	9.3
447.21548	7.3
447.26599	0.6
449.23123	0.6
459.21454	9.5
460.22424	30.2
461.23288	33.4
462.24445	1.0
473.23438	7.1
474.24200	2.6
477.22879	1.4
487.25110	4.2
488.25439	1.4
491.24414	1.5
492.25076	1.5
504.25687	0.7
505.21381	4.8
506.26492	1.6
515.23895	2.2
518.23193	0.7
519.27148	4.5
532.24420	2.4
533.25458	1.4
539.62274	0.5
547.26935	93.3
548.27374	3.8
575.26001	1.5
578.24780	0.7
579.29498	2.4
592.26111	0.6
605.39709	0.5
607.29004	100.0
608.29272	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	607.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
55.01863	6.5
55.05232	1.7
55.05500	24.5
55.20886	1.4
57.03428	8.3
57.07067	1.3
59.73394	1.1
65.03918	4.0
67.05495	69.1
68.70300	1.3
69.03419	22.2
69.07056	24.9
70.44995	4.2
71.01326	1.9
71.04979	7.8
71.08578	1.3
73.02908	1.9
79.05479	51.4
81.03404	74.7
81.07043	100.0
83.04960	17.1
83.08603	16.5
85.02896	12.3
85.06532	6.0
91.05466	41.5
93.07030	61.4
95.04950	12.3
95.08591	32.4
95.25529	1.4
97.02877	14.5
97.06516	11.2
97.10171	2.9
99.04443	5.3
99.08090	3.2
103.05441	1.9
105.04509	2.8
105.07014	21.6
107.04946	6.5
107.08572	37.0
109.02867	17.7
109.06497	5.4
109.10120	3.2
111.04427	11.2
111.08054	5.4
113.05973	1.7
115.05441	2.5
117.06992	16.6
119.04925	2.2
119.08555	14.0
120.08794	1.3
121.06486	6.3
121.10120	17.0
123.04423	1.5
123.08080	2.7
123.11687	7.9
127.03902	10.9
129.07008	4.9
131.04875	2.5
131.08551	19.6
133.06467	2.7
133.10085	14.6
135.08032	4.1
135.11664	8.2
135.12547	1.5
137.05984	1.7
137.09674	1.6
141.06998	2.4
143.08543	5.2
145.06479	1.7
145.10104	5.5
147.08060	2.1
147.11685	12.4
149.05954	1.6
149.13240	26.0
155.08492	2.7
157.06540	1.6
157.10139	3.7
159.08078	1.8
159.11665	16.9
161.09590	2.2
161.13269	1.7
165.12796	5.4
171.11705	2.8
173.04472	4.9
175.11134	2.5
177.12714	10.3
183.11659	2.0
185.09616	1.6
185.13098	1.5
195.13771	22.0
201.12758	1.4
213.12871	1.5
213.14865	5.1
219.13708	3.2
249.14844	1.5
251.16399	2.1
257.15430	2.5
261.14893	2.2
267.15894	8.7
269.17474	11.3
275.16324	1.7
285.14767	2.6
297.16904	3.5
303.15894	2.6
305.17401	1.8
321.16989	7.4
335.23618	2.5
339.18051	13.4
343.26309	1.9
353.24832	2.5
371.25781	2.9
377.19751	1.7
395.20596	15.4
440.82291	2.0
445.29596	10.9
463.30518	13.6
479.29935	2.7
487.30447	1.8
529.31531	2.0
589.33765	6.2
607.34723	96.0
608.35022	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	607.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.6
53.03932	11.9
55.01863	7.6
55.05503	26.3
55.90933	1.4
57.03425	10.2
57.07061	2.2
57.16476	1.5
59.30293	1.7
65.03922	5.1
67.05494	78.4
69.03419	24.1
69.07054	25.1
70.89001	3.5
70.89423	3.1
71.01367	2.1
71.04973	11.2
79.05483	53.5
81.03401	82.9
81.07042	100.0
83.04963	17.3
83.08610	16.5
85.02891	18.2
85.06524	5.9
86.09679	1.8
91.04004	1.7
91.05463	43.2
91.45497	1.7
93.07029	70.4
95.04961	13.6
95.08589	30.4
97.02871	16.7
97.06520	12.8
99.04424	10.8
99.08083	3.2
103.03870	2.1
103.05491	2.0
105.07011	29.7
107.04945	9.3
107.08575	36.3
107.09238	2.6
109.02856	15.4
109.06496	7.4
109.10124	9.3
111.04413	11.4
111.08082	4.8
117.06996	17.1
119.08570	14.6
121.06493	8.1
121.10129	22.0
123.04404	2.4
123.08044	4.3
123.11717	5.0
125.09600	1.9
127.03866	13.6
129.07005	7.0
131.08546	17.4
133.06447	2.6
133.10115	21.8
135.08086	3.6
135.11700	11.2
139.03897	3.4
141.06935	3.3
142.07768	2.1
143.08559	6.7
145.06482	2.6
145.10088	11.5
147.07959	2.3
147.11635	18.9
149.09581	3.3
149.13242	28.1
151.11198	3.5
155.08578	4.0
157.10078	15.8
157.11018	1.5
159.08020	1.8
159.11658	22.0
161.09631	2.6
161.13283	3.9
165.12782	6.5
167.08496	2.0
169.10133	3.7
171.11694	4.6
173.04466	4.2
173.13287	4.9
175.07387	1.8
175.11197	2.1
177.12776	8.2
183.06546	3.7
184.07356	2.6
185.13242	2.1
195.11989	3.4
195.13765	21.0
197.13300	2.1
201.12775	2.2
213.14851	5.3
214.33348	1.7
225.93501	2.0
229.14301	3.1
233.15353	2.8
251.07162	1.7
253.19582	19.9
267.15958	6.2
269.17328	12.9
271.20627	8.5
275.42178	1.6
287.16235	2.1
303.15988	4.5
321.16998	5.5
339.17935	12.9
370.72952	1.7
377.19598	4.0
395.20532	15.2
433.26187	4.5
445.29486	6.5
463.30453	13.5
571.32483	3.0
589.33752	5.9
607.34698	95.7
608.34851	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	607.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01870	2.3
55.05495	5.3
57.03417	4.6
61.02914	3.6
65.03944	1.6
67.05499	17.7
69.03423	18.3
69.07060	5.6
70.06582	2.8
71.04978	7.7
71.67820	2.3
73.21851	1.2
79.05478	15.1
81.03407	19.7
81.07045	26.1
83.04966	4.3
83.08594	3.1
85.02892	42.8
87.04460	2.1
91.05466	13.8
93.07032	20.3
95.04970	5.1
95.08599	11.9
97.02870	14.9
97.06506	2.9
97.10145	1.4
99.04437	18.5
101.05983	1.8
105.07021	17.4
107.04935	3.9
107.08574	16.5
109.02834	6.2
109.06509	2.2
109.10143	13.8
111.04437	2.1
111.08047	1.3
117.07004	6.8
119.08560	12.5
121.06513	1.6
121.10133	16.0
123.04445	2.0
123.08041	1.5
123.11710	3.4
127.03896	14.8
128.06245	2.7
129.06985	8.1
131.08548	16.2
133.10098	21.7
135.11688	5.6
141.06932	1.8
142.07784	6.6
143.08511	9.1
145.04929	8.7
145.10110	13.3
147.08028	1.4
147.11664	25.1
149.09540	1.5
149.13225	7.7
155.08583	3.7
157.08794	1.7
157.10106	51.1
159.11658	20.9
161.13229	3.8
169.10095	2.6
171.11655	9.3
173.13260	5.5
175.11087	2.2
181.10005	1.5
182.10921	1.3
183.10217	1.5
183.11720	4.7
185.13254	4.6
187.07388	1.9
195.11757	1.9
195.13863	4.0
197.13245	10.5
199.14745	2.1
209.13292	1.6
211.14804	5.9
213.16495	1.7
219.41212	1.3
223.14813	1.7
224.15643	1.5
225.16356	3.5
251.17949	3.3
253.19476	100.0
254.19980	1.6
255.21075	3.2
271.20517	50.4
283.24243	1.9
339.18198	1.5
409.27261	9.9
427.28287	3.6
433.25757	25.4
445.29037	1.7
463.31137	2.0
541.23029	1.4
561.33856	2.1
589.33447	2.1
607.34998	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67017	0.6
53.03925	1.6
55.01848	2.7
55.05503	15.7
57.03432	4.6
57.07056	2.0
65.03910	1.6
67.05489	25.1
69.03436	1.0
69.07053	12.8
70.92991	1.8
71.04979	2.5
76.62106	0.6
77.03938	0.8
79.05479	19.3
81.03400	1.1
81.07041	25.4
83.04951	1.7
83.08606	8.2
85.06522	1.8
91.04917	1.2
91.05462	15.9
91.06038	0.9
93.07025	18.6
95.04966	3.6
95.08585	21.7
97.06499	2.5
97.10155	4.1
99.08096	2.0
105.07009	17.7
107.08569	12.2
109.06506	1.5
109.10133	9.5
111.08047	1.4
113.09659	0.8
115.05413	1.8
117.06995	9.3
119.08557	14.6
121.06383	0.8
121.10122	7.5
123.08035	1.4
123.11679	2.4
125.09609	1.9
128.06166	3.3
129.06969	11.4
131.08548	13.4
133.10098	9.9
135.11667	3.8
137.13235	1.6
141.06953	7.0
142.07800	3.3
143.08534	12.4
144.09329	1.1
145.10104	11.7
147.11656	6.3
149.09595	1.3
149.13252	3.2
153.06975	2.9
154.07764	2.4
155.08521	13.3
156.09306	2.2
157.10101	14.4
159.03130	0.6
159.11656	8.2
161.13232	2.5
163.11259	0.7
165.06999	3.7
166.07747	2.3
167.08531	10.4
168.09282	2.9
169.10109	17.7
170.10880	0.7
171.10201	1.1
171.11653	11.0
173.13219	5.1
175.14786	1.8
177.12706	0.7
178.07796	1.8
179.08546	6.3
180.09265	3.0
181.10094	13.3
182.10909	2.3
183.11653	15.8
184.12448	0.9
185.09731	0.9
185.13239	8.4
187.14842	2.7
189.16393	0.8
191.08545	1.2
192.09276	1.3
193.10107	7.9
194.10858	2.4
195.11650	15.7
196.12326	1.3
197.13197	10.1
199.13242	0.9
199.14847	4.8
201.16408	0.8
204.55501	0.6
205.10143	2.8
206.10899	2.2
207.11670	9.0
208.12386	1.6
209.13211	12.1
210.13834	0.9
211.14803	7.2
213.12926	0.7
213.14647	0.9
213.16415	2.2
215.18027	0.6
217.15862	0.8
218.10916	1.2
219.11743	3.2
220.12456	1.2
221.13229	9.4
221.15280	1.2
222.13963	1.0
223.14774	8.0
225.16373	5.0
227.18015	1.3
231.11649	0.9
233.13173	3.3
234.13933	1.0
235.14806	7.2
236.15378	0.7
237.16367	5.8
239.17918	3.8
241.15782	0.9
241.19597	1.1
245.13289	1.1
245.18909	0.8
247.14865	3.4
249.16304	4.5
249.18474	0.7
251.17955	4.7
253.15735	1.0
253.19518	1.7
255.17331	0.7
257.19003	1.2
259.14734	1.2
259.20502	0.8
260.15567	0.9
261.16425	1.6
263.17838	3.7
265.19489	2.7
267.21066	1.8
275.17609	1.3
275.20242	1.5
277.19519	2.1
279.21066	1.3
289.19354	0.7
291.17719	0.7
291.21033	1.7
293.22360	0.9
295.20364	1.0
297.21893	0.7
305.22479	1.2
309.22067	1.0
311.20071	1.4
311.23590	1.0
319.20505	1.8
319.23962	0.8
321.22064	1.9
323.20120	1.1
323.23431	1.4
327.23193	0.6
333.22141	2.1
335.23468	3.1
337.25275	1.7
339.23227	1.2
347.23761	1.9
349.25089	2.8
351.55109	0.7
359.23679	1.1
361.25143	1.6
363.26883	2.7
365.24576	1.2
367.26553	0.8
375.26941	1.9
377.24313	1.2
377.28452	1.9
379.26172	0.9
381.27820	0.8
389.28339	1.1
391.30014	1.5
393.27664	1.1
395.29193	1.2
403.30115	1.5
407.29346	1.4
419.29248	0.9
431.29050	1.0
433.30966	1.5
445.30847	3.0
447.32507	2.2
459.32370	2.0
463.32010	1.2
487.39276	0.9
495.34814	1.0
497.37784	2.1
507.34949	0.6
511.34402	1.3
515.38910	15.7
516.39532	0.8
519.34991	1.0
521.36389	0.7
533.40002	9.1
534.40521	1.3
537.35699	2.1
538.35376	1.3
539.37250	0.7
551.41388	3.0
571.41589	2.1
589.42450	9.8
590.42529	0.9
607.43469	100.0
608.43964	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	607.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01857	6.9
55.05500	20.7
57.03429	4.3
57.07064	2.8
60.27207	0.9
62.47680	0.8
65.03923	3.6
67.05492	40.6
69.03413	2.1
69.06685	2.0
69.07052	27.9
69.62019	3.1
69.62445	3.9
70.07353	0.9
71.04974	2.3
77.03926	1.1
79.05479	36.3
81.03403	4.3
81.07040	48.3
83.04967	5.1
83.08605	10.6
85.06540	1.9
91.05460	47.3
93.07025	36.6
94.07390	0.8
95.01305	3.8
95.04950	9.1
95.08585	32.5
97.06519	9.2
97.10137	5.0
98.21356	1.2
99.08051	2.0
103.05434	2.0
105.07009	52.6
107.04933	8.9
107.08573	19.9
109.06503	3.6
109.10126	12.3
111.08094	2.4
111.11732	1.2
113.09592	1.2
115.05436	2.5
117.06992	19.2
119.08555	33.7
121.06506	2.7
121.10128	13.8
122.48781	0.8
123.04443	1.1
123.08048	3.5
123.11691	3.7
125.09614	1.8
128.06209	3.6
129.06979	12.4
130.07758	1.8
131.08542	25.2
133.06470	1.4
133.10100	29.5
135.08034	3.0
135.11702	7.3
137.09511	1.0
141.06941	8.4
142.07753	2.4
142.94231	0.9
143.08533	16.4
144.09265	1.1
145.06476	1.0
145.10095	23.7
147.07993	1.4
147.11664	15.6
149.09535	4.4
149.13205	4.6
151.11110	0.9
153.06961	2.7
154.07813	1.7
155.08519	12.4
156.09311	1.8
157.10086	14.0
159.11650	17.9
159.61697	0.8
161.09584	1.3
161.13202	6.7
163.11180	2.0
163.14816	1.3
165.07077	2.3
165.08997	0.9
165.12729	1.1
166.07788	1.7
167.08525	8.8
168.09360	2.0
169.10097	14.4
171.11655	13.6
173.13229	9.1
175.14825	2.1
177.12645	2.1
179.08540	4.7
179.14238	6.9
180.09317	1.8
181.10075	13.7
182.10921	2.2
183.11668	14.4
185.13199	11.3
187.11201	2.3
187.14818	3.9
189.12698	1.1
189.16290	1.2
192.09311	1.7
193.10098	6.2
194.10851	1.4
195.11661	13.5
196.12398	1.7
197.13242	10.4
199.14746	4.6
201.16339	2.1
205.10109	2.8
205.12033	1.6
206.10864	1.6
207.11694	7.1
208.12321	1.2
209.13194	10.4
211.14795	8.0
213.12791	1.4
213.16505	2.0
215.17967	2.1
217.15833	0.8
219.11679	2.1
219.17494	1.2
220.12483	1.2
221.13332	6.1
222.14047	1.1
223.14775	8.3
224.15359	1.1
225.16400	4.5
227.17996	1.7
229.19560	0.9
233.13234	1.9
235.14763	4.6
237.16385	5.1
239.17915	3.5
241.19551	4.9
247.14845	2.1
249.16426	3.2
251.17921	3.7
255.17322	1.2
257.19058	3.3
259.14630	0.9
259.20505	6.3
263.18097	2.5
265.19574	2.4
271.16809	0.9
275.17175	1.5
275.20053	26.1
277.19354	1.5
279.21277	1.3
291.21030	1.3
293.21265	1.2
305.18988	1.3
307.20541	1.9
309.22107	1.5
313.21777	1.3
315.23193	5.7
321.22095	1.5
327.23230	1.3
335.23810	2.3
339.23111	1.4
347.23575	1.1
349.23856	3.9
361.25430	1.2
375.26672	1.2
377.28503	1.6
389.28339	1.5
403.29993	1.6
445.30945	1.5
460.22501	1.0
461.23083	1.6
461.34381	1.1
483.34485	1.2
515.38837	7.7
519.23352	1.6
533.39929	6.7
537.36035	2.0
538.36560	1.5
539.37335	1.3
547.26837	2.9
551.40833	4.0
589.18542	1.1
589.42578	5.9
607.43475	100.0
608.43738	10.4
623.77881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01854	4.4
55.05266	1.7
55.05502	18.3
57.03410	5.7
57.07056	1.8
65.03928	2.5
67.05143	2.0
67.05494	39.8
69.03413	4.2
69.07065	15.8
71.04977	2.4
79.05479	30.9
80.01527	1.1
81.03400	9.8
81.07041	44.1
81.83858	1.4
82.88875	1.1
83.04967	4.5
83.08606	10.0
85.02885	1.9
85.06522	1.9
91.05465	26.2
91.97623	1.4
93.07030	29.8
95.04959	6.1
95.08595	26.5
97.06512	3.2
97.10154	5.8
98.21464	3.4
99.04449	1.4
103.05415	1.7
105.07011	21.6
107.04941	2.3
107.08566	13.6
109.02871	2.7
109.06480	2.8
109.10134	11.6
111.08041	2.6
115.05448	2.4
117.06982	12.7
119.08562	17.3
121.06445	2.1
121.10121	9.4
123.08080	1.8
123.11664	2.5
125.09628	3.1
128.06221	3.7
129.06973	10.0
131.08556	16.7
132.83899	1.3
133.10127	13.5
135.11632	7.4
141.06921	8.0
142.07724	2.7
143.08533	12.9
145.10112	15.4
147.11668	6.7
149.09592	2.5
149.13206	7.1
151.11198	1.6
153.06949	2.6
154.07744	1.9
155.08546	13.2
157.10097	12.9
159.11647	12.3
161.13243	2.4
165.06950	3.6
166.07796	2.3
167.08551	8.9
168.09338	2.9
169.10132	15.4
170.10927	1.5
171.11716	10.8
173.13248	5.2
177.12837	1.9
179.08505	6.1
179.14372	1.6
180.09256	3.1
181.10081	15.4
183.11661	14.5
183.22304	1.3
185.13194	7.0
187.11172	1.6
187.14781	2.3
192.09320	2.1
193.10139	7.2
194.10922	2.7
195.11687	14.3
195.13702	2.8
196.12445	2.1
197.13255	10.8
199.14844	5.6
205.10042	1.9
207.11658	7.4
209.13217	11.7
211.14836	4.9
213.16393	3.0
217.10040	1.8
219.11671	3.3
221.13158	7.9
223.14864	7.5
225.16399	3.2
227.14513	1.4
229.85095	1.4
233.13240	2.8
235.14870	4.9
237.16364	5.9
239.14458	1.4
239.17909	2.4
247.14848	3.3
249.16365	4.5
251.17891	3.5
257.18951	1.6
263.18011	3.0
275.20154	4.0
277.19397	1.8
293.18622	1.7
321.22128	2.1
323.23672	2.3
335.23520	2.1
339.17957	2.4
349.25113	2.1
353.24835	2.1
361.25323	1.6
363.26993	2.1
377.28366	2.2
389.27917	1.8
395.20596	2.0
403.29889	1.9
419.28735	1.5
445.29767	2.0
459.32681	2.7
463.30960	1.7
495.34387	2.0
497.37903	2.0
515.38953	9.8
533.40399	6.9
533.47437	1.8
551.40411	4.0
589.42462	8.3
595.46344	1.4
595.56458	1.4
607.34601	11.8
607.43463	100.0
608.35034	2.4
608.43915	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	608.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47750	0.3
52.34873	0.3
53.03881	1.0
53.04106	0.3
55.01821	0.7
55.05449	3.8
56.04985	0.7
57.03376	0.4
57.07016	1.2
60.07561	0.3
61.02869	0.6
65.03899	0.3
67.05428	4.4
68.04974	0.7
69.03417	2.5
69.06991	3.7
70.06512	1.3
70.27873	1.0
70.28278	0.5
71.04921	0.9
71.08568	0.3
72.04440	1.1
73.02855	0.5
79.05472	2.4
80.05006	1.8
81.03397	2.3
81.07043	5.7
82.02856	1.3
82.06493	1.3
82.07298	0.5
83.04890	0.5
83.08595	2.1
84.04425	1.0
84.08050	0.6
85.02887	3.0
86.09657	0.3
86.46173	0.2
87.00759	0.6
91.05468	1.4
93.07027	2.6
94.06535	2.1
95.04879	0.9
95.08593	4.8
96.04473	5.5
96.08038	1.3
96.08839	0.4
97.02897	1.7
97.05196	0.3
97.06425	0.5
97.10075	1.3
98.05967	1.3
99.04369	1.3
100.03967	2.8
103.03896	0.3
105.07018	1.8
107.04890	0.4
107.08573	1.5
108.04389	0.6
108.08030	0.9
109.02893	2.0
109.06448	0.5
109.10155	2.1
110.06016	2.4
110.09571	0.9
110.10330	0.4
111.04358	0.5
111.07968	0.6
111.11652	0.4
112.03867	0.8
112.07545	0.6
118.06484	0.5
119.08490	1.0
120.08008	0.7
121.06432	0.4
121.10055	1.1
122.05990	2.1
122.09590	0.8
122.10410	0.5
123.06707	0.5
123.11602	1.2
124.03843	0.3
124.07540	0.7
126.05493	1.4
127.03925	2.0
131.08508	0.7
133.10042	0.9
134.05920	0.5
134.09550	0.3
135.11636	0.8
136.07556	1.7
136.11153	0.5
137.02208	0.4
137.05865	0.5
137.09506	0.3
138.05394	1.1
138.09032	1.0
139.03781	0.3
139.11044	0.5
140.06995	0.5
145.04900	0.4
145.09990	0.7
147.11588	0.7
148.07497	0.5
149.13235	0.4
150.09015	0.8
151.03802	0.9
152.06981	0.4
152.10623	0.3
153.01750	0.7
154.08554	0.5
159.11562	0.6
161.09471	0.4
162.08990	0.3
163.03793	1.0
163.07410	0.3
163.36734	0.3
164.10634	0.4
173.13086	0.4
176.10707	0.3
178.08536	0.6
180.10109	0.6
185.32468	0.3
200.09015	0.8
203.17683	0.5
206.08006	0.8
206.18999	0.4
208.09613	0.5
208.20479	0.7
224.20016	1.2
232.20480	0.7
234.18430	0.8
236.20050	9.5
248.20015	0.9
250.21510	0.8
252.19548	14.3
253.19785	0.7
254.21045	0.4
260.20038	0.6
264.19440	0.5
276.19504	0.8
278.21167	1.5
282.05206	1.0
282.20529	1.2
287.08932	0.7
288.23871	0.4
296.22336	0.4
297.07474	0.4
303.04889	1.4
305.24622	0.6
306.20761	1.5
306.24927	1.0
310.04605	1.0
314.22925	0.3
317.06482	1.0
318.06750	0.5
323.25690	0.7
324.21585	1.0
324.26151	0.7
325.07062	3.0
342.09650	0.8
342.22693	63.2
343.04279	0.8
343.08118	2.9
343.23047	3.3
360.11499	2.8
360.23743	100.0
361.11230	0.3
361.24103	3.6
401.12097	0.4
402.24722	0.7
427.55707	0.3
447.12744	0.8
499.53110	0.3
522.28882	0.4
572.26306	0.4
608.29163	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	608.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09789	0.4
53.03885	0.9
55.01814	0.6
55.05433	3.2
56.04971	0.8
57.03390	0.4
57.06997	1.0
61.02858	0.8
63.84546	0.4
67.05416	3.5
68.04957	0.8
68.99728	0.5
69.03338	2.4
69.06975	3.3
69.07379	0.8
70.06527	0.8
71.01267	0.6
71.04900	0.7
71.70129	0.4
71.70535	0.4
72.04449	0.9
73.02861	0.7
79.05386	1.9
80.04915	1.7
81.03319	2.6
81.06957	5.5
82.02882	0.9
82.06505	1.1
83.01259	0.4
83.04903	0.4
83.08523	1.5
84.04410	1.2
84.08066	0.5
84.18011	0.4
85.02804	3.3
86.09616	0.6
87.00716	1.3
91.05408	0.9
93.07036	2.2
94.06552	2.2
95.04897	0.8
95.08596	4.0
96.04480	5.1
96.08029	1.7
97.02879	2.0
97.05190	0.9
97.06436	0.5
97.10070	1.1
98.05995	1.0
99.04346	1.3
100.03975	3.3
105.01828	0.4
105.06916	1.2
107.08595	1.7
108.08024	0.9
109.02760	1.7
109.06409	0.8
109.10148	1.9
110.06026	2.6
110.09597	0.9
110.10369	0.5
111.07941	0.6
112.03857	0.9
118.06432	0.6
119.08495	1.0
120.07974	1.0
121.10024	1.3
122.06027	1.8
122.06682	0.4
122.09573	0.7
123.11600	1.4
124.03873	0.4
124.07515	0.7
125.08244	0.4
126.05404	1.3
127.03905	2.4
132.58690	0.4
133.10042	1.3
134.09572	0.7
135.07916	0.5
135.11606	0.9
136.07587	1.8
137.02309	0.4
138.05391	1.3
138.09055	1.2
140.06956	0.5
145.04880	0.6
145.10001	0.5
146.05965	0.5
147.11436	0.4
148.07466	0.5
150.05368	0.4
150.09099	0.7
151.03775	1.2
153.01733	1.4
154.08522	0.4
159.02817	0.6
159.11688	0.5
162.09036	0.5
163.03838	0.7
163.07349	0.4
178.08513	1.1
180.10045	1.1
200.09117	0.7
206.07982	1.4
206.18964	0.4
208.09497	0.5
208.20653	0.8
215.17682	0.4
224.19978	1.5
234.18472	1.1
236.20068	7.7
251.07054	0.6
252.19565	15.5
253.19896	0.8
254.05511	0.4
254.21332	0.4
260.19934	0.5
264.19571	0.4
276.19479	0.5
278.21158	2.3
282.05295	2.1
282.20511	1.2
287.05762	0.6
287.09103	1.0
297.07486	1.4
302.04117	0.5
303.04971	0.6
305.24643	0.7
306.20834	0.9
306.25116	1.3
310.04617	1.6
317.06537	1.6
318.06668	0.8
324.21695	1.4
324.26099	1.1
325.07047	5.5
326.07434	0.6
342.09662	1.8
342.22708	62.4
343.04309	1.6
343.08075	6.0
343.22995	2.6
344.08505	1.1
360.10999	6.4
360.23755	100.0
361.10947	1.0
361.24088	3.3
402.24789	0.8
447.12665	0.4
608.29163	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	608.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
54.03446	1.2
55.01852	2.6
55.05507	10.2
57.03415	2.9
57.07046	1.3
61.02917	1.0
65.03899	1.0
67.05141	1.2
67.05494	19.9
67.12698	0.8
69.03419	5.8
69.06744	1.0
69.07062	11.9
70.06568	2.6
71.04974	3.6
71.45024	1.9
79.05481	8.8
80.05024	1.4
81.03409	5.1
81.07047	23.6
81.07530	1.2
82.06544	1.4
82.07373	1.2
83.04961	2.3
83.08619	7.2
84.08127	1.3
84.56548	0.8
85.01128	1.0
85.02891	12.2
85.06531	1.7
87.00809	4.2
91.05469	8.0
93.07020	9.4
94.06540	1.2
95.04933	1.9
95.08598	18.3
96.04464	2.2
97.01095	1.3
97.02869	3.9
97.06500	3.1
97.10138	4.1
98.06033	1.1
99.04432	1.9
100.03948	9.7
104.03457	1.8
105.01810	1.4
105.07011	6.0
107.04898	1.2
107.08579	6.8
109.02869	4.9
109.06474	1.9
109.10146	13.0
110.06033	1.5
111.08047	1.0
111.11664	1.2
112.03961	1.0
116.03387	2.5
117.06997	1.1
118.04983	3.2
119.08574	5.5
120.08047	1.0
121.06539	1.2
121.10130	6.2
123.04390	1.0
123.11689	6.8
124.03954	1.6
126.05504	2.5
127.03911	6.6
128.03363	0.9
129.07004	0.9
131.08540	1.9
133.10123	4.7
135.11682	3.0
136.07469	1.2
137.02327	2.3
137.05899	1.6
137.09583	1.8
137.13177	1.1
142.04898	2.3
142.08626	1.1
144.06535	15.7
145.10114	1.6
147.04358	1.1
147.11639	3.4
147.12733	0.9
148.07455	0.8
149.13277	1.3
151.03870	1.2
151.07565	1.0
151.11211	1.5
157.10106	2.1
159.02763	1.0
159.11638	1.1
161.13239	1.4
163.03888	1.0
165.16362	1.8
175.11110	1.1
189.16371	1.2
203.17950	2.0
207.17494	1.6
213.03854	0.9
221.18974	1.0
225.18483	2.2
239.20029	1.9
301.06973	5.5
303.04901	1.4
306.20590	1.8
324.21838	6.9
342.22629	8.0
342.26273	2.0
346.06659	2.5
360.23758	100.0
361.09067	4.7
361.24121	2.8
415.10242	2.0
428.10425	2.5
429.20602	1.5
447.21664	4.4
593.92255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.50537	0.2
55.01853	0.6
57.03411	0.9
61.02910	0.6
64.64931	0.2
65.03907	0.2
68.99777	0.6
69.03418	4.6
70.24478	1.0
71.04984	1.3
73.02903	1.5
81.03400	5.9
83.01311	0.3
85.02885	13.4
93.03405	0.4
95.04937	0.5
97.02874	9.7
99.04434	9.7
103.03921	10.0
109.02856	6.3
111.00773	0.8
115.03926	0.5
121.02834	0.8
123.04408	0.3
127.03889	21.2
128.04190	0.2
135.04327	0.2
137.02309	3.3
145.04930	7.8
149.02328	0.4
153.01781	3.1
155.04865	0.2
156.82341	0.2
161.05940	0.3
163.03891	0.5
163.05960	1.3
165.01785	1.7
166.02591	0.2
169.04895	0.5
173.05942	0.3
183.02855	0.7
187.06012	2.4
201.05463	1.5
205.05002	0.2
205.07048	0.3
219.06461	0.2
228.04054	0.3
229.04903	3.7
230.05298	0.3
245.04539	0.2
247.05965	0.8
253.07277	0.2
257.04410	2.6
271.08112	0.8
274.04678	0.6
275.05493	0.3
285.03995	1.2
289.09195	0.2
299.05389	0.3
302.04211	0.3
303.04929	100.0
304.01807	0.2
304.05267	4.5
315.04984	0.6
316.05481	0.2
327.04828	0.8
341.06805	0.2
345.05966	3.3
353.80719	0.2
369.06088	0.4
393.06244	0.3
411.07071	0.8
497.24289	0.2
506.02823	0.2
546.13135	0.2
585.23871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1437
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03930	1.6
55.01846	0.3
57.03413	0.7
61.02908	0.8
62.10891	0.2
65.03971	0.2
68.99783	0.4
69.03417	4.9
71.01326	0.3
71.04974	1.3
71.11973	0.5
73.02909	1.2
77.75848	0.2
80.67003	0.2
81.03401	5.1
83.04990	0.2
85.02888	13.4
87.04400	0.2
91.08366	0.2
93.03360	0.2
95.04945	0.5
97.02872	8.3
99.03783	0.4
99.04435	9.1
103.03922	9.5
109.02857	5.4
109.03417	0.1
111.00788	1.0
115.03860	0.2
121.02824	1.0
123.04394	0.2
127.03890	19.5
135.04326	0.2
137.02313	3.2
145.04930	7.4
145.06093	0.4
149.02316	0.3
153.01794	3.7
155.04837	0.3
161.05972	0.3
163.03870	0.6
163.05956	1.3
165.01787	1.7
166.02579	0.4
169.04913	0.3
173.05919	0.3
180.38521	0.2
183.02850	0.8
183.04280	0.3
187.05971	2.1
199.06035	0.3
201.05457	1.8
205.07158	0.2
219.06569	0.3
219.96756	0.2
229.04900	4.1
229.06927	0.3
239.03421	0.3
247.05957	0.6
257.04398	2.6
260.43616	0.2
271.08054	0.7
274.04749	0.6
285.03876	1.2
286.04688	0.6
289.38617	0.2
301.07004	2.2
302.04120	0.3
303.04932	100.0
304.05295	3.3
315.04959	0.4
317.06512	0.3
327.04971	0.6
329.11383	0.3
345.05960	3.1
362.25024	0.2
369.06137	0.3
394.20471	0.2
411.07016	0.5
429.08560	0.2
479.94894	0.2
577.16614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2698
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03923	0.8
55.01857	1.8
55.05500	2.8
57.03421	0.9
57.07066	0.5
65.03954	0.5
67.05135	0.6
67.05493	9.6
69.07061	5.5
75.77438	0.4
79.05476	6.5
81.07045	7.6
83.04959	0.4
83.08604	1.5
85.06516	0.4
89.62097	0.4
90.10091	0.3
91.05460	5.7
93.07027	7.5
95.01308	0.4
95.04951	2.9
95.08586	5.4
96.05300	0.7
97.06502	2.5
97.10152	0.4
97.20680	0.4
102.42288	0.4
103.05396	0.5
105.07001	5.6
106.07345	0.4
107.04948	1.0
107.08564	3.6
109.06512	0.7
109.10147	1.5
111.08041	0.7
115.05425	0.4
117.07008	2.4
119.08550	3.4
121.06504	0.4
121.10104	2.7
123.07973	0.4
123.11631	0.5
129.06992	1.3
130.07713	0.4
131.08553	3.6
133.10109	3.0
135.11667	1.7
141.06958	0.7
143.08566	1.6
145.10091	4.0
147.11642	1.8
149.09593	1.5
149.13205	0.7
155.08539	1.2
157.10109	1.8
159.11665	2.6
161.13255	1.1
163.11179	1.4
165.09189	0.4
167.08540	0.4
169.10089	1.6
171.11646	1.3
173.13266	1.1
179.14297	1.0
181.10196	0.6
183.11694	1.2
185.13261	1.2
195.27890	0.4
197.13290	1.3
199.14886	0.5
209.10844	0.6
209.13040	0.4
211.12491	0.4
211.14946	0.8
213.16368	0.5
221.13168	0.4
223.12335	0.6
228.76854	0.4
237.14032	0.5
239.17897	0.7
257.18860	1.8
261.22159	0.5
271.44293	0.4
275.20020	4.2
293.21283	0.9
335.25739	0.6
376.17068	1.1
377.17609	1.3
389.18204	1.1
390.18570	0.8
391.19138	2.1
392.20081	0.9
393.21213	0.6
401.18011	0.8
403.19662	0.7
404.20456	1.0
405.21075	3.1
406.21478	1.1
407.22287	2.7
415.19095	1.6
417.16733	0.6
417.21652	0.5
419.18188	0.8
419.22910	0.7
420.23114	0.6
421.23813	3.8
422.24503	0.6
427.19196	0.7
428.19980	0.5
429.20792	2.0
430.22449	0.6
431.18759	1.2
432.19342	1.1
433.15134	0.5
433.20068	2.3
435.21817	0.5
442.21841	0.5
444.23007	1.2
447.17184	2.3
448.18616	0.9
449.23590	0.6
457.24564	1.9
459.21658	1.5
460.22635	1.4
461.19089	5.5
462.20392	2.7
463.21185	1.7
472.22656	0.8
473.19247	0.5
473.23853	0.5
474.20349	1.3
475.21103	8.2
476.21729	5.8
477.22400	4.2
479.24332	0.6
485.23459	6.4
486.20462	2.7
487.20966	0.5
487.25043	1.1
488.22104	1.1
489.22870	4.7
493.21893	0.6
494.27011	0.9
499.21277	4.3
500.22168	1.6
502.23904	0.6
503.24445	7.4
504.21161	0.9
505.22427	1.2
507.23627	0.5
513.22876	1.4
515.24432	5.5
517.22278	1.8
517.40460	0.7
518.23035	0.5
521.25824	3.1
531.23853	9.1
535.22992	1.2
535.41504	0.5
541.22198	0.6
549.24646	2.1
550.25562	4.3
559.23328	4.0
563.26300	1.3
577.24573	2.1
591.25952	14.6
591.43750	0.6
609.26984	100.0
609.43463	13.6
610.27246	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	609.2697
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03932	0.9
55.01843	0.6
55.05503	3.3
56.74133	0.4
57.03422	0.9
63.75804	0.4
65.03918	0.4
67.05492	8.2
69.07051	3.6
70.95142	0.5
70.95500	1.0
79.05479	7.4
79.25518	0.4
81.07041	7.8
83.04933	0.8
83.08591	1.4
91.05460	6.4
93.07028	6.8
95.04954	1.7
95.08586	5.5
97.05907	0.4
97.06519	1.7
97.10161	0.9
105.07012	6.4
107.04945	0.9
107.08569	4.1
109.06527	0.7
109.10138	2.3
117.07011	2.4
119.08562	3.4
121.06454	0.6
121.10128	2.9
123.11725	0.7
125.09624	0.5
128.06245	0.5
129.07010	1.3
131.08534	4.2
133.10117	4.0
135.08035	0.4
135.11668	2.0
138.79684	0.4
141.06999	0.8
142.16446	0.4
143.08545	2.1
145.10106	5.7
147.08173	0.3
147.11609	2.3
149.09613	1.3
149.13251	0.8
155.08580	1.1
157.10147	1.4
159.11681	3.2
161.13249	1.5
163.11151	1.2
165.41110	0.4
169.10133	1.5
171.11696	1.3
173.13260	1.5
179.14229	0.5
183.11703	1.6
185.13249	0.8
187.14828	0.5
197.13264	1.1
207.11716	0.6
209.13164	0.5
211.14806	0.7
229.19543	0.4
239.18015	1.0
257.18942	3.5
261.22498	0.4
275.19998	5.8
293.21097	0.7
331.22708	0.7
335.25797	1.2
349.23770	0.5
391.19009	0.6
395.29132	0.4
401.17441	0.5
403.19382	0.8
404.20956	0.7
405.20782	1.1
414.18423	0.8
415.19150	1.1
416.20273	0.7
418.21707	0.8
419.18594	1.2
419.23233	0.6
421.19586	0.5
427.19342	0.7
429.20813	2.7
430.21429	1.3
431.18607	1.3
431.23199	0.7
432.19415	0.7
433.24786	2.0
434.21042	0.7
443.22421	1.2
444.23834	2.0
445.19836	0.8
445.24902	0.7
446.16769	0.5
447.17102	0.6
447.21960	1.7
449.23752	0.9
457.19772	0.5
458.25354	0.5
459.21170	4.4
460.22824	2.3
461.18918	1.4
461.23526	2.9
462.19901	2.2
463.21164	0.8
471.21796	0.6
472.22296	1.9
473.23203	1.2
474.24503	0.6
475.20560	0.6
475.25861	0.5
476.22174	2.4
477.23093	2.6
485.23416	1.3
487.24881	4.1
489.22754	1.5
490.23941	0.7
492.25494	0.5
503.24835	2.3
505.19022	0.7
505.26038	0.6
507.24295	0.8
517.40277	0.7
518.23151	0.5
519.23676	1.9
521.21564	3.0
531.23834	21.4
532.24518	2.4
535.41681	0.7
549.24927	10.6
550.25757	0.5
580.23712	0.5
591.26013	2.6
591.43628	0.9
608.43573	0.8
609.26990	100.0
609.43280	12.7
610.27667	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03928	1.6
55.01851	1.3
55.05499	7.9
57.03418	2.3
57.07058	0.7
65.03919	1.1
67.05492	20.5
69.07059	8.0
69.91886	1.5
69.92307	1.8
71.04969	1.3
77.54379	0.5
79.05478	18.3
81.07038	15.1
83.04966	1.3
83.08591	2.7
85.06548	1.2
89.57121	0.5
91.05463	14.7
93.07031	17.3
95.04945	2.6
95.08595	13.4
97.06518	2.4
97.10146	1.7
98.21114	1.5
99.08060	0.6
103.05436	0.6
105.07011	13.5
107.04922	1.2
107.08575	9.5
109.06487	1.3
109.10142	4.8
111.08006	0.6
115.05441	0.9
116.06293	0.6
117.06998	8.3
119.08558	10.1
121.06480	0.6
121.10126	6.0
123.08027	1.0
123.11682	1.5
128.06226	1.0
129.06976	4.0
130.07761	1.1
131.08542	9.5
133.10095	5.9
135.07910	0.5
135.11658	3.5
141.07016	1.3
142.07782	0.6
143.08533	4.4
144.09386	0.6
145.10117	12.1
147.11641	6.3
147.12550	0.6
149.09615	1.6
149.13246	2.1
155.08553	1.8
157.10092	5.5
159.11665	8.5
161.09593	1.1
161.13225	2.4
163.11188	1.1
167.08597	0.7
169.10071	4.0
171.11678	4.4
173.13234	3.0
175.14874	0.7
177.12785	0.6
181.10150	1.5
183.11606	3.2
185.13301	2.4
187.14836	1.3
195.11671	1.4
197.13261	2.3
199.14816	1.2
201.16476	0.8
209.13274	0.7
211.14865	1.2
213.16341	0.8
219.17458	0.7
223.12305	0.6
223.14810	1.1
229.19530	1.0
237.13899	1.2
237.16356	1.1
238.14638	0.8
239.17940	3.2
246.21320	0.6
255.17444	0.8
257.18954	7.4
259.20605	0.9
261.22165	1.2
263.17642	0.5
275.20010	7.9
293.21173	1.2
317.24637	0.6
331.22604	2.9
335.25803	4.9
355.37665	0.6
375.16821	0.8
376.16946	0.9
377.17578	1.3
389.17984	1.3
390.18549	1.8
391.18942	2.7
392.19965	1.7
399.16083	0.8
400.17056	0.7
401.17599	0.9
403.19968	1.1
404.20483	1.7
405.20685	4.8
406.21500	3.6
407.22394	5.0
414.18698	0.9
415.19336	3.7
416.20190	0.7
417.21121	0.9
419.17996	1.1
419.22461	1.8
420.23007	1.7
421.23840	5.2
422.24371	1.2
427.19287	1.7
428.19836	1.3
429.21002	3.0
430.21640	2.1
431.22891	1.0
433.20181	2.1
435.21414	1.1
442.21939	0.8
443.22552	1.6
444.23370	1.8
445.20029	1.8
446.20871	1.0
447.18094	2.0
448.22018	1.0
449.23431	1.5
452.22018	1.4
457.24335	3.3
459.21912	2.7
460.22931	1.3
461.19034	7.5
462.20041	3.3
463.21536	2.0
470.21362	0.9
471.17874	0.7
472.22672	2.1
473.19400	0.8
474.20502	2.2
475.20935	9.7
476.21747	9.8
477.22174	6.9
478.23395	1.9
479.24515	1.2
485.23438	10.9
486.20013	3.9
487.25131	1.9
488.21799	2.1
489.22842	8.7
493.26770	0.8
494.26547	1.6
499.21146	3.6
500.22186	2.1
502.23367	1.0
503.24426	7.6
504.24930	6.0
507.24030	1.2
513.22858	2.4
515.24469	9.3
517.22156	1.0
517.40283	1.4
521.25909	3.6
522.25977	1.0
531.23865	20.8
535.23938	1.5
535.41241	1.0
537.24261	1.2
541.22150	1.1
548.24329	1.3
549.24634	4.0
550.25580	7.9
559.23187	8.6
577.24829	1.1
591.25897	33.3
591.43549	1.6
609.27008	100.0
609.44562	25.5
610.27289	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01841	3.2
53.03941	5.7
55.01863	5.8
55.05503	11.8
55.32164	3.2
57.03429	6.6
59.04976	4.5
61.02904	8.3
67.05497	31.3
69.03414	23.3
69.07060	21.4
70.06571	7.0
71.04977	11.4
71.70409	4.5
79.05473	25.5
80.28336	3.2
81.03400	13.0
81.06599	6.4
81.07048	78.3
83.04961	7.7
83.08611	10.7
85.02885	58.8
85.06541	3.3
87.00832	4.0
89.18114	3.5
91.03931	3.7
91.05440	20.5
93.07035	44.2
95.04942	9.9
95.08581	63.2
97.01090	8.5
97.02894	21.5
97.06539	7.3
97.10177	8.5
99.04453	7.9
105.07027	29.6
107.08584	40.6
109.02863	8.3
109.06497	61.4
109.10152	41.0
111.08060	11.0
111.11671	5.8
117.07000	10.5
119.08533	19.6
121.10119	44.3
123.08154	3.7
123.11713	17.5
125.09648	3.9
127.03897	20.0
129.05486	6.1
129.06960	5.1
130.07738	3.5
131.08556	12.7
133.10091	31.8
135.11665	15.4
136.94196	4.0
137.09613	5.4
137.13237	10.6
139.11209	8.5
142.07828	10.2
143.08517	13.2
144.06578	7.5
145.04953	9.1
145.10068	17.6
147.11688	32.4
149.04143	4.0
149.13293	19.8
151.11232	9.0
157.10109	55.5
159.11659	34.6
161.13281	10.1
163.11174	7.0
163.14810	4.0
165.09035	4.0
171.11664	14.3
173.13210	11.1
175.11229	5.7
179.04794	5.3
182.15378	4.9
183.11693	5.7
185.13322	6.3
197.13261	11.9
199.11346	4.7
210.15120	3.9
211.14857	8.7
215.17999	14.2
239.09196	4.1
251.20076	12.4
252.14195	9.4
253.16862	6.0
253.19475	100.0
255.21136	4.0
264.05759	3.6
269.17261	5.1
271.20480	38.8
271.23306	5.2
277.25266	10.9
289.25278	18.8
301.06931	24.0
303.04691	4.5
307.26190	33.7
325.27283	7.3
327.05280	4.1
327.23172	4.4
343.22458	4.7
415.10004	6.2
429.20599	23.1
433.25919	24.6
447.21603	48.8
448.21756	6.0
453.16208	4.1
573.34015	7.5
591.34937	15.2
609.28607	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	609.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01859	5.5
55.05507	16.3
57.03425	7.0
57.07053	4.3
61.02903	4.4
65.03925	4.2
67.04520	3.2
67.05494	34.9
67.32084	3.0
69.03410	22.6
69.07054	34.4
70.88137	6.1
70.88505	6.3
71.04970	14.3
71.77570	3.1
79.05475	29.4
81.03384	20.5
81.07040	100.0
83.04967	10.6
83.08590	13.1
85.02884	57.6
85.03941	3.0
85.06514	6.9
87.00822	9.9
87.04411	3.4
91.05431	22.2
93.07029	58.8
95.04948	9.1
95.08585	75.8
97.02884	16.5
97.06496	11.9
97.10134	7.7
99.04434	8.5
99.08084	3.5
105.01854	9.3
105.07015	28.7
107.04934	3.7
107.08575	46.2
109.02863	13.2
109.06502	55.7
109.10137	59.4
110.18918	3.1
111.08058	5.2
111.11709	4.0
117.07001	7.8
119.08580	28.5
121.10123	47.3
123.08051	4.8
123.11691	35.8
125.09568	5.6
127.03857	18.1
127.11165	9.7
131.08540	15.1
133.10114	27.3
135.11687	28.2
137.09686	4.6
137.13239	10.0
139.11122	4.2
143.08501	7.0
145.04932	8.4
145.10071	20.5
147.11670	30.9
149.09517	3.5
149.13220	31.0
157.10101	33.4
159.11688	21.1
161.13220	11.7
163.14781	8.7
165.12648	5.0
167.08591	3.3
169.10106	5.7
171.11646	7.3
173.13217	12.8
175.14835	6.8
177.16347	5.3
183.11736	4.1
187.14642	7.0
189.16336	7.0
191.18010	3.1
197.13118	4.2
203.17917	8.6
211.14825	4.2
213.18481	5.6
215.17915	3.8
233.19009	3.7
251.11713	3.3
251.20016	9.9
253.19467	55.5
261.25647	3.8
263.23764	5.8
271.20532	23.3
271.23892	5.7
277.25275	19.0
289.25299	34.3
295.26224	8.7
303.05002	4.0
307.26266	31.0
325.27313	14.0
326.45844	3.7
327.23090	4.0
433.25702	18.7
591.26825	4.6
591.35083	11.4
609.28680	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	609.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.05495	11.8
56.05003	4.1
57.03421	3.7
57.07051	5.0
59.05016	2.9
61.02906	5.7
67.05490	35.6
67.06960	2.8
69.03410	17.5
69.07057	19.7
70.06601	3.4
71.04984	14.3
71.70480	3.5
76.02222	3.5
79.05467	17.1
81.03388	8.6
81.07040	80.1
83.04971	5.8
83.08601	11.7
85.02883	38.7
85.06519	6.2
86.00653	4.9
87.00842	3.7
91.05460	14.4
93.07021	39.1
94.06535	3.3
95.04958	8.6
95.08582	100.0
97.01109	9.6
97.02879	18.1
97.06512	7.0
97.10156	4.1
98.97567	3.5
99.04425	4.6
99.08109	4.6
100.11213	3.1
105.01891	3.3
105.06995	21.4
107.04979	3.1
107.08566	33.9
109.02872	7.6
109.06495	38.6
109.10138	44.3
109.48398	3.0
111.07399	3.1
111.08044	18.3
111.11668	4.1
113.09632	3.8
116.01707	4.9
117.07001	3.8
119.08549	19.8
121.06533	3.2
121.10134	25.6
123.11695	41.5
125.09604	4.0
127.03911	11.5
127.11179	5.1
129.06923	6.7
131.08536	15.8
133.10072	16.5
135.11694	12.7
137.09654	3.7
137.13208	41.3
139.11159	4.3
142.07739	4.2
143.08556	6.9
145.04927	4.9
145.10115	8.9
147.11656	27.9
149.13237	21.5
151.05711	3.5
151.11224	4.9
153.12660	3.6
157.10077	42.6
159.11656	22.1
161.13205	5.4
163.14839	4.6
165.12737	9.0
167.07104	3.3
171.11661	11.8
173.13271	6.3
179.04855	7.3
183.11566	4.4
185.13318	3.4
189.03239	3.2
197.13165	4.0
201.14809	6.6
203.17928	4.7
203.64626	3.6
215.17905	5.4
237.22159	7.4
251.17905	4.6
252.14128	8.7
253.19485	60.5
269.17435	6.7
271.20547	27.3
271.23325	4.9
277.25162	15.4
280.13589	3.6
289.25156	19.4
295.26251	7.3
303.04910	5.0
307.26236	57.9
308.26605	4.0
325.27423	9.2
355.16467	3.8
393.27536	3.9
415.09967	5.0
429.16013	2.9
429.20700	24.3
433.25714	16.9
447.21609	52.4
448.21616	4.1
591.35272	9.8
609.28595	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	609.4502
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03941	1.5
53.17170	0.9
55.01854	2.1
55.05499	15.3
57.03423	4.4
57.07057	2.3
65.03938	2.2
67.05492	27.3
69.07058	14.5
70.83236	3.7
79.05481	18.8
81.07037	25.8
83.08598	5.5
85.06516	1.4
86.56979	1.1
91.05462	16.3
93.07023	17.8
95.04957	2.2
95.08591	22.5
97.06504	1.3
97.10146	3.6
103.20652	1.1
105.07010	19.7
107.08560	13.8
109.10151	9.8
111.08104	1.3
115.05460	1.7
117.06980	10.4
119.08561	16.8
121.10114	7.5
123.11712	3.1
125.09635	1.8
128.06252	3.6
129.06966	11.2
131.08542	15.4
132.71939	1.0
133.10083	10.2
134.54651	1.1
135.11635	5.9
136.99089	1.1
141.06961	5.8
142.07761	5.1
143.08542	14.9
145.10092	15.2
147.11685	5.7
149.13264	2.6
153.06944	1.7
155.08533	14.4
156.09305	3.0
157.10098	17.0
159.11664	10.1
161.13251	3.9
165.07016	2.2
166.49966	1.0
167.08577	7.2
168.09355	1.4
169.10121	19.1
171.11650	11.8
173.13210	6.4
175.14789	2.2
177.87749	1.1
178.07886	1.5
179.08566	3.8
181.10075	11.0
182.10919	2.5
183.11658	16.2
185.13245	10.4
187.14825	3.5
189.16405	1.4
193.10139	3.7
194.10951	1.8
195.11636	11.6
196.12454	1.2
197.13219	13.0
199.14830	6.5
201.16299	2.4
207.11633	4.0
209.13223	8.7
211.14757	6.9
213.16373	5.2
219.11705	2.0
221.13278	4.5
223.14812	5.8
225.16394	6.2
227.18022	2.0
233.13263	1.3
235.14851	3.3
237.16437	4.2
239.17957	2.7
241.19640	2.1
247.14221	1.1
249.16496	1.5
251.18114	1.6
253.19571	2.1
255.21317	1.4
285.60626	1.3
293.76331	1.2
295.20282	1.3
295.23907	1.3
321.22034	1.7
335.23273	1.4
337.25146	2.0
349.25159	2.2
351.26755	2.0
365.28299	2.6
377.28186	2.7
381.28323	1.3
383.29358	1.4
433.30975	1.9
447.32288	2.7
461.33615	1.5
499.39566	1.6
517.40295	16.3
518.40582	1.2
535.41370	6.7
539.37207	1.9
573.43170	1.7
591.44080	15.3
609.45013	100.0
610.45599	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	609.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01555	1.2
51.02346	1.1
52.66140	0.5
53.03939	6.0
55.01859	9.0
55.05499	20.7
57.03392	2.5
57.07050	1.1
57.47744	0.6
61.28361	0.5
63.76057	0.6
65.03934	4.5
65.87259	0.6
67.05492	57.2
67.06007	1.6
68.70335	0.6
69.03379	1.4
69.07053	35.4
71.04940	2.7
71.65681	1.3
77.03889	1.9
79.05479	54.3
79.24705	0.6
80.05778	0.7
81.03403	7.2
81.07042	69.5
83.04960	7.6
83.08176	0.8
83.08601	10.2
85.06491	2.3
91.05464	58.9
93.07026	57.5
95.01308	11.6
95.04409	0.9
95.04953	13.8
95.08588	47.0
97.02826	0.6
97.06511	17.5
97.10156	4.3
99.08036	1.2
103.05424	2.2
105.04440	1.8
105.07011	73.9
107.04255	1.1
107.04932	19.1
107.08572	26.9
109.06506	7.6
109.10141	12.7
111.04427	0.9
111.08073	3.9
113.05976	0.7
113.09602	1.4
115.05396	2.3
115.74400	0.6
116.06198	0.7
117.07000	16.4
119.08559	43.3
121.06431	2.2
121.10123	20.0
122.89599	0.7
123.04467	1.3
123.08047	4.4
123.11639	2.5
124.14366	0.6
125.09591	1.7
127.11153	0.6
128.06206	1.0
129.06982	3.9
130.07794	0.9
131.08540	29.2
133.06451	1.1
133.10104	50.3
135.08044	3.9
135.11662	13.6
137.09576	2.9
137.13245	0.6
139.07518	2.0
141.06937	2.5
143.08540	4.2
144.09294	0.7
145.06488	1.4
145.08978	1.3
145.10100	23.1
147.07964	1.4
147.11650	20.3
149.09602	5.4
149.13225	6.7
151.11082	1.5
154.07790	0.8
155.08534	1.4
157.10066	4.5
159.08015	1.3
159.11662	13.7
161.09579	1.3
161.13214	8.6
163.11194	3.8
163.14748	1.4
165.09015	3.2
165.12662	1.0
169.10066	1.8
171.11703	3.9
173.09618	0.9
173.13219	6.4
175.14732	1.8
177.12769	4.8
179.14276	24.4
183.11623	3.0
185.13249	1.9
187.11133	2.8
187.14777	1.7
189.12750	1.3
190.36371	0.7
195.13748	1.6
197.13205	2.4
201.12775	0.7
201.16261	0.7
205.12177	1.8
209.15459	0.8
211.14664	0.9
215.14319	1.0
215.17915	1.2
219.13831	0.9
219.17371	8.4
229.15891	0.7
229.19504	1.9
239.17953	3.8
241.14320	1.3
247.20621	3.0
257.18954	7.8
261.22162	1.2
275.20010	100.0
276.20294	0.9
279.15811	0.9
293.21106	6.0
317.24500	1.0
331.22806	1.3
335.25827	2.1
349.23645	3.7
368.59811	0.7
609.45013	59.4
610.45123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03922	2.3
55.01846	2.3
55.05499	15.9
57.03418	2.7
57.07066	1.4
63.70181	1.1
64.23882	1.0
65.95074	1.1
67.05494	23.5
69.07053	11.0
79.05475	15.0
81.07041	25.5
83.08585	6.3
90.61312	1.1
91.05463	14.4
92.05779	2.0
93.07022	18.9
93.83518	1.2
95.04960	1.9
95.08585	20.6
97.06523	1.7
97.10146	2.8
105.07013	17.0
107.08575	10.4
109.09378	1.4
109.10130	8.2
112.33115	1.1
115.05380	1.4
117.06968	7.4
119.08566	12.6
121.10123	6.7
128.06169	2.1
129.06995	9.6
131.08531	11.6
133.10120	9.6
135.11681	3.4
141.06973	4.1
142.07729	3.5
143.08536	14.3
145.10110	13.8
147.11659	4.8
149.13232	2.5
153.06953	1.9
154.07707	2.2
155.08524	12.6
157.10101	12.6
159.11665	10.0
161.13284	3.1
163.14696	1.8
167.08594	5.5
168.09294	2.2
169.10118	11.4
171.11670	9.6
173.13240	6.5
175.14801	2.3
179.08511	2.8
180.09319	1.8
181.10062	8.8
182.10922	2.0
183.11659	14.4
185.13249	8.7
187.14824	2.9
193.10033	3.3
195.11668	9.2
196.12425	1.2
197.13210	10.9
199.14883	6.4
201.16356	2.5
207.11655	4.0
209.13199	7.1
211.14841	7.9
213.16396	3.3
221.13208	4.2
223.14833	4.4
225.16425	5.3
227.18143	2.7
233.13213	2.1
235.14847	2.5
237.16393	4.4
239.17931	2.7
249.16371	2.1
251.17955	2.3
257.18832	1.7
265.19458	1.9
275.20151	1.4
277.19370	1.6
279.21039	1.3
323.23660	2.2
335.23331	1.4
351.26929	2.6
365.28195	1.8
369.27438	1.5
391.29977	2.1
499.39548	4.0
507.11182	1.4
517.40295	15.9
535.41510	8.7
539.37366	1.8
551.38904	1.3
553.42267	1.6
555.41510	1.6
573.42627	2.5
591.44019	16.3
609.44971	100.0
610.45477	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	610.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01855	2.9
55.05505	7.6
56.05029	14.2
57.03415	2.5
57.07067	1.1
58.06575	1.5
61.02888	1.3
64.71272	0.8
65.03917	1.5
67.05499	15.2
68.05013	0.9
68.99789	1.3
69.03419	13.0
69.07059	6.4
70.03731	1.2
70.06567	2.9
71.04987	9.8
71.68883	0.8
71.69296	0.9
72.04485	1.5
72.08142	0.8
73.02887	2.8
75.29559	0.7
79.05484	8.6
80.05009	2.3
81.03408	12.7
81.07048	15.8
82.03726	1.5
82.06561	1.6
83.04958	2.4
83.08611	3.4
84.04481	5.7
84.08138	1.1
85.02386	1.6
85.02893	31.4
85.06532	1.5
86.03222	3.7
86.06039	2.6
87.00811	2.3
87.04442	1.1
89.45872	0.7
91.05460	6.9
93.03384	1.0
93.07035	8.1
94.06553	4.4
95.04939	2.2
95.08589	12.1
96.04458	3.1
96.08144	1.1
97.02884	15.6
97.06512	2.4
97.10175	0.8
98.03204	2.8
98.06059	1.2
99.04439	13.6
100.03970	1.5
100.04780	2.2
101.02342	0.8
102.05519	1.0
103.03923	13.7
104.04272	3.0
105.07011	4.8
107.04932	1.2
107.07359	1.1
107.08594	6.2
108.04492	1.4
108.08041	1.9
109.02860	11.2
109.05254	0.9
109.06494	1.4
109.10136	6.1
110.03174	2.4
110.06020	8.7
111.00773	2.3
111.04431	1.1
111.08054	1.2
112.03926	2.5
112.07564	0.9
114.05518	1.0
115.03888	0.7
117.06995	1.9
119.08578	3.9
120.08104	2.6
121.02821	1.7
121.10122	2.5
122.06002	3.3
123.04415	1.1
123.08058	1.0
123.11663	1.5
124.03938	1.8
124.07551	1.3
125.09581	1.0
126.05506	5.5
127.03901	28.4
128.04254	8.5
129.05484	1.7
129.07045	0.9
131.08540	2.9
132.08043	1.6
133.10141	3.6
134.09622	1.6
135.11655	2.1
136.07523	1.7
137.02351	6.0
137.05965	0.7
138.02681	1.5
138.05437	1.7
142.05022	0.8
143.08504	1.0
145.04932	10.6
145.10110	2.0
146.05272	1.8
147.11671	2.3
148.11166	1.5
150.09113	2.3
150.12764	0.8
153.01802	5.7
154.02194	1.8
157.10106	1.0
159.02904	1.0
162.09132	0.9
163.03841	1.4
163.06010	1.7
164.10670	1.5
165.01814	2.5
166.02170	0.8
166.08533	0.9
169.89462	0.8
175.14847	1.1
183.02863	1.0
187.06012	1.5
189.12761	1.0
189.16394	1.1
193.15791	0.9
201.05522	2.1
202.05792	1.2
208.13078	0.8
210.14928	0.9
229.04942	4.6
230.05336	3.4
230.18816	0.7
257.04410	4.1
258.04791	2.1
260.20123	0.9
262.21548	1.9
271.08105	1.2
272.20148	1.9
275.05063	1.0
278.21069	2.1
280.22775	1.3
285.03915	1.4
286.04480	2.4
287.05304	5.5
290.21130	10.4
291.21902	1.4
296.22141	2.4
301.07019	5.4
302.07297	8.5
303.04953	100.0
304.05292	80.2
304.08926	1.7
305.05502	7.0
308.22165	37.4
309.22665	1.4
317.06488	3.2
318.07040	1.2
326.23215	42.3
327.04810	0.8
327.23672	1.7
344.24277	46.1
345.05991	2.6
345.24570	0.9
346.06195	2.5
362.08942	0.8
362.25311	45.3
363.25500	1.0
392.93063	0.8
412.07581	0.9
492.17380	0.9
556.27551	2.2
574.28149	2.2
578.16620	1.9
592.29395	1.2
610.30273	0.9
625.61487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01857	2.6
55.05500	10.9
55.87884	0.8
56.05022	7.9
57.03410	2.9
57.07042	1.0
58.06587	1.3
58.73948	0.8
61.02914	1.6
62.66769	0.7
63.34040	0.9
65.03904	1.7
67.01852	1.0
67.04240	0.7
67.05494	19.8
68.05015	1.9
68.99770	1.5
69.03416	10.1
69.07059	8.2
69.96654	1.5
69.97071	3.4
70.02940	1.2
70.06583	1.9
71.04982	3.8
72.04504	4.2
73.02892	1.2
79.05479	11.5
80.04981	3.5
81.03410	7.5
81.05760	0.8
81.07042	22.7
82.06569	4.1
83.04959	2.0
83.08589	5.7
84.04501	4.4
85.02889	20.5
85.06515	1.6
86.03220	1.4
87.00792	2.8
87.04462	0.7
88.03961	1.3
91.05446	7.5
92.05750	1.0
93.07027	12.5
94.06554	7.0
94.07116	0.9
94.07327	0.7
95.04950	5.4
95.07307	1.5
95.08585	19.2
96.04474	5.8
96.08107	0.8
96.08893	0.9
97.02878	6.3
97.06519	1.5
97.10145	1.8
98.03156	0.9
98.06039	4.0
99.04439	2.1
100.03957	5.8
102.05480	1.3
105.01875	1.3
105.07025	5.0
107.04970	0.8
107.08571	6.8
108.04443	4.4
108.08117	1.0
109.02882	5.2
109.05315	1.4
109.06509	10.9
109.10138	9.6
110.02369	0.9
110.06036	20.2
110.06824	2.8
111.04431	1.0
111.06808	1.8
111.08064	1.0
112.03941	4.2
112.07585	1.6
114.05508	9.0
117.06989	3.2
119.04971	1.0
119.08573	3.2
120.08129	0.9
120.08954	1.0
121.06516	1.1
121.10124	6.5
122.05969	2.2
123.11712	2.5
124.03944	2.1
124.07568	1.6
126.05492	26.2
127.03904	7.5
128.03404	1.8
128.07057	9.6
129.06972	0.9
130.04953	1.3
131.08511	3.6
133.10074	5.3
135.11652	2.7
136.07541	1.7
138.05476	1.0
142.07816	0.9
142.68991	0.8
143.08536	1.7
144.06528	25.9
145.04951	3.2
145.10094	2.8
147.04362	2.8
147.11642	4.9
148.07552	1.1
148.12030	2.3
149.13179	1.1
150.09108	0.9
156.06560	1.2
157.10085	9.0
158.10493	4.0
159.02878	1.1
159.11646	3.0
160.11984	2.2
161.13188	1.1
163.14818	1.2
171.11641	2.4
197.13162	1.3
198.13617	1.1
211.14857	0.9
212.15111	0.8
213.03926	1.7
214.16879	0.8
220.78290	0.7
253.19456	10.9
254.19833	13.9
262.21463	1.3
271.20596	5.6
272.20908	6.2
280.22589	1.9
290.21075	1.9
303.04965	5.1
308.22134	14.2
326.23206	100.0
327.23523	3.1
331.80920	0.9
344.24265	86.1
345.24625	1.9
361.09268	1.0
362.09418	1.5
362.25278	30.5
433.25836	2.0
434.26001	7.0
492.03583	0.8
574.34601	1.9
592.35999	3.8
630.30841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01857	2.6
55.05500	10.9
55.87884	0.8
56.05022	7.9
57.03410	2.9
57.07042	1.0
58.06587	1.3
58.73948	0.8
61.02914	1.6
62.66769	0.7
63.34040	0.9
65.03904	1.7
67.01852	1.0
67.04240	0.7
67.05494	19.8
68.05015	1.9
68.99770	1.5
69.03416	10.1
69.07059	8.2
69.96654	1.5
69.97071	3.4
70.02940	1.2
70.06583	1.9
71.04982	3.8
72.04504	4.2
73.02892	1.2
79.05479	11.5
80.04981	3.5
81.03410	7.5
81.05760	0.8
81.07042	22.7
82.06569	4.1
83.04959	2.0
83.08589	5.7
84.04501	4.4
85.02889	20.5
85.06515	1.6
86.03220	1.4
87.00792	2.8
87.04462	0.7
88.03961	1.3
91.05446	7.5
92.05750	1.0
93.07027	12.5
94.06554	7.0
94.07116	0.9
94.07327	0.7
95.04950	5.4
95.07307	1.5
95.08585	19.2
96.04474	5.8
96.08107	0.8
96.08893	0.9
97.02878	6.3
97.06519	1.5
97.10145	1.8
98.03156	0.9
98.06039	4.0
99.04439	2.1
100.03957	5.8
102.05480	1.3
105.01875	1.3
105.07025	5.0
107.04970	0.8
107.08571	6.8
108.04443	4.4
108.08117	1.0
109.02882	5.2
109.05315	1.4
109.06509	10.9
109.10138	9.6
110.02369	0.9
110.06036	20.2
110.06824	2.8
111.04431	1.0
111.06808	1.8
111.08064	1.0
112.03941	4.2
112.07585	1.6
114.05508	9.0
117.06989	3.2
119.04971	1.0
119.08573	3.2
120.08129	0.9
120.08954	1.0
121.06516	1.1
121.10124	6.5
122.05969	2.2
123.11712	2.5
124.03944	2.1
124.07568	1.6
126.05492	26.2
127.03904	7.5
128.03404	1.8
128.07057	9.6
129.06972	0.9
130.04953	1.3
131.08511	3.6
133.10074	5.3
135.11652	2.7
136.07541	1.7
138.05476	1.0
142.07816	0.9
142.68991	0.8
143.08536	1.7
144.06528	25.9
145.04951	3.2
145.10094	2.8
147.04362	2.8
147.11642	4.9
148.07552	1.1
148.12030	2.3
149.13179	1.1
150.09108	0.9
156.06560	1.2
157.10085	9.0
158.10493	4.0
159.02878	1.1
159.11646	3.0
160.11984	2.2
161.13188	1.1
163.14818	1.2
171.11641	2.4
197.13162	1.3
198.13617	1.1
211.14857	0.9
212.15111	0.8
213.03926	1.7
214.16879	0.8
220.78290	0.7
253.19456	10.9
254.19833	13.9
262.21463	1.3
271.20596	5.6
272.20908	6.2
280.22589	1.9
290.21075	1.9
303.04965	5.1
308.22134	14.2
326.23206	100.0
327.23523	3.1
331.80920	0.9
344.24265	86.1
345.24625	1.9
361.09268	1.0
362.09418	1.5
362.25278	30.5
433.25836	2.0
434.26001	7.0
492.03583	0.8
574.34601	1.9
592.35999	3.8
630.30841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1383
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
51.08019	1.2
53.03936	1.7
65.03925	2.1
68.99778	6.4
69.03384	1.4
70.06573	4.3
71.05688	2.9
73.90802	1.2
74.08665	1.4
77.03947	1.8
84.04488	1.5
85.02892	2.9
91.05460	5.2
92.66467	1.3
93.03371	1.7
95.04926	4.7
97.02831	2.8
103.05384	1.3
105.03350	2.7
107.04923	3.1
109.02868	2.1
111.00780	3.5
111.04425	6.9
115.05444	1.7
119.04929	13.8
121.02853	3.2
123.04408	100.0
125.02276	1.9
127.03880	21.7
131.04880	2.2
135.04391	22.7
137.02309	5.2
137.05916	1.9
139.02853	2.5
139.03876	37.1
143.03319	1.3
147.04385	28.1
147.05556	1.6
149.02280	3.1
149.05901	1.8
150.03101	2.4
151.03896	12.0
152.04796	1.6
153.01807	1.5
155.03354	3.9
159.04358	1.6
161.05966	2.7
162.03110	2.4
163.03893	21.5
165.01776	2.7
165.05450	14.1
167.03360	3.6
171.04314	1.6
173.05957	3.8
175.03905	3.6
176.04654	1.5
177.05399	3.6
179.03345	10.7
181.04999	1.7
183.04335	2.4
185.05882	1.7
187.03883	5.2
189.05542	2.1
191.03372	10.0
193.04871	2.7
197.05931	3.5
201.05472	7.5
203.03343	13.7
203.06854	1.5
205.04951	3.1
207.02760	2.1
213.05402	4.0
215.03329	2.6
216.04140	1.8
217.04860	4.1
219.02989	1.4
221.04356	2.6
223.02313	12.6
229.04909	13.4
231.02898	9.5
231.06480	4.4
232.03648	1.8
233.04416	5.2
237.05475	1.7
241.04906	2.5
243.02838	2.5
243.06477	1.6
244.03722	1.3
245.04411	11.5
247.02188	2.3
247.05977	25.2
257.04404	17.7
258.05109	3.3
259.02377	2.3
259.05911	5.5
261.03885	9.1
269.04352	3.7
271.05975	14.5
273.03931	10.9
273.06750	1.8
275.05527	6.8
277.03354	3.6
282.04977	1.4
283.05902	3.4
285.03860	6.6
286.04645	3.8
287.05438	34.3
288.06140	3.5
289.03342	7.2
289.06973	10.5
290.04099	4.4
291.05005	1.9
291.08640	5.8
299.05560	6.4
301.03345	3.7
301.06738	2.5
303.04919	11.9
304.05844	3.7
315.04904	2.4
317.06488	2.9
327.04950	1.6
347.41422	1.3
355.08365	1.5
391.08093	4.1
401.06598	1.7
407.07394	4.5
408.08307	4.2
409.08975	8.4
412.07742	2.4
419.07333	2.8
420.08371	1.9
423.07205	3.1
425.08374	3.6
427.10278	5.9
436.07986	1.7
441.07706	2.4
457.27551	1.4
485.67825	1.4
542.12115	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	611.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
65.03931	1.5
65.56882	0.7
67.05474	0.9
68.99769	7.3
70.93866	1.4
70.94273	1.3
79.05486	1.8
81.03405	3.5
83.04977	0.7
85.02866	0.8
91.05467	1.1
93.03359	1.2
95.04930	1.9
97.02874	1.8
99.04435	0.7
103.64499	0.7
105.03404	1.8
107.04943	2.2
109.02856	4.7
111.00780	6.7
111.04433	2.7
115.05506	0.9
117.06969	0.7
119.04909	1.6
121.02826	2.9
123.04409	24.6
125.02353	1.4
127.03896	82.4
128.04225	0.7
133.02817	2.3
135.04375	5.0
137.02341	1.4
139.03879	100.0
140.04251	1.1
143.03355	2.0
145.02811	1.2
145.06505	1.1
147.04375	8.6
149.02359	3.7
149.06023	0.6
150.03030	1.0
151.03880	36.3
152.04239	1.6
153.01808	1.4
154.21236	0.6
154.76233	0.6
155.03383	6.7
155.04726	1.1
157.06468	1.1
159.04352	1.5
161.05943	2.2
163.03888	15.9
165.01845	1.4
165.05534	3.7
167.03407	4.4
169.04956	1.9
169.06448	1.2
171.04399	2.2
173.06004	1.8
175.03873	11.2
177.05438	4.5
179.03366	35.9
181.04912	5.1
183.04358	1.2
185.05951	2.6
187.03929	2.6
187.81149	0.6
189.05463	3.0
191.03357	11.0
193.04936	5.2
197.05930	0.8
199.03851	3.2
201.05432	4.2
203.03365	15.9
205.04887	2.3
213.05457	5.5
215.03329	1.2
215.06938	0.7
217.04869	5.3
219.06505	1.0
221.04402	1.5
223.02278	1.4
227.03448	0.8
229.04904	7.7
230.05609	0.8
231.02937	1.8
231.06352	3.7
233.04468	5.6
241.04941	3.0
243.06566	0.9
245.04407	12.0
247.06094	3.4
251.05605	1.0
253.05020	1.5
255.06432	0.8
257.04398	15.6
258.05099	1.5
259.06036	4.4
261.03888	3.1
263.05475	12.9
269.04370	3.6
271.06015	5.1
273.03937	2.3
275.05478	17.7
277.07065	2.6
281.04514	0.9
285.03897	1.5
287.05460	39.1
288.05869	1.3
289.04108	0.8
289.06952	3.7
291.05026	2.3
291.08640	2.4
299.05466	13.5
301.06970	0.8
303.05093	5.2
303.08060	0.8
304.90543	0.7
305.06522	11.3
307.08112	7.7
311.05447	1.0
315.04987	1.5
317.06540	13.3
319.08102	0.9
320.16776	0.8
321.05750	1.3
341.06616	0.6
407.07574	2.5
423.07074	0.9
425.08664	17.3
441.08035	2.4
443.09692	6.8
467.09778	1.8
523.95752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03926	0.3
55.01853	0.3
57.03433	0.6
61.02913	0.9
68.99775	0.4
69.03417	1.9
70.06556	0.1
71.04971	0.3
73.02891	0.2
81.03410	1.2
83.01334	0.1
84.60280	0.1
85.02891	5.6
87.04429	0.2
91.03925	0.3
93.44220	0.1
95.04955	0.1
97.02882	2.0
97.07571	0.1
99.04433	0.4
104.34167	0.1
105.03432	0.2
107.04928	0.3
108.23774	0.1
109.02849	0.8
111.00777	0.6
111.04427	0.2
121.02856	2.7
121.03753	0.1
123.04406	0.3
125.71766	0.1
127.03901	1.3
133.02809	0.4
135.04382	0.1
137.02304	0.7
139.03786	0.2
141.06941	0.2
145.04927	0.9
145.06364	0.2
147.04349	0.6
151.03908	0.1
153.00645	0.2
153.01804	2.8
154.02054	0.1
157.06454	0.3
161.05986	0.1
165.01816	1.7
166.02499	0.1
171.02873	0.1
183.02898	0.8
185.05945	0.4
189.05428	0.2
197.05931	0.2
203.07034	0.1
213.05424	1.3
229.04878	0.1
231.06494	0.6
241.04921	0.9
258.05179	1.0
259.05948	0.5
269.04315	0.1
287.05444	100.0
288.05765	1.8
303.04868	0.5
321.07529	0.1
329.06467	0.2
449.10721	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
57.03436	2.9
61.02924	0.4
68.99759	0.4
69.03423	1.4
70.96412	1.1
71.04980	12.6
73.02906	0.4
75.04447	0.4
75.20361	0.3
81.03387	0.8
83.04965	0.4
84.25280	0.3
85.02888	18.0
87.04440	0.4
97.02868	1.5
99.04401	0.5
109.02859	0.6
111.00780	0.9
121.02856	0.4
127.03931	0.8
129.05464	4.7
132.95438	0.3
137.02307	2.7
145.04947	0.8
147.06487	1.5
149.02252	0.4
153.01807	3.3
163.03893	0.9
165.01846	2.0
173.26778	0.3
183.02898	0.6
201.05455	1.4
211.50748	0.3
219.06406	0.3
229.04932	3.5
247.05934	0.4
257.04428	2.6
274.04688	0.7
285.03867	1.2
302.04538	0.5
303.04944	100.0
304.05185	1.2
327.05096	0.4
345.06033	0.4
369.78864	0.3
465.09961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1593
Annotation	Rutine
Peak:m/z	Relative Intensity
50.20311	0.3
50.90065	0.3
57.03432	2.0
61.02914	0.5
66.80051	0.4
68.99792	0.5
69.03397	1.3
70.16688	1.5
71.04982	12.4
73.02883	0.4
75.04468	0.4
75.49580	0.3
80.43637	0.4
81.03426	0.8
82.66054	0.4
83.04986	0.7
85.02893	14.6
87.04440	0.4
93.03381	0.4
97.02860	1.2
103.13527	0.3
104.70025	0.4
109.02879	0.7
111.00773	0.6
121.02838	0.5
127.03911	0.9
129.05438	3.5
137.02310	1.9
145.04910	0.7
147.06534	0.9
153.01833	2.6
163.03853	0.3
165.01797	1.5
172.65874	0.3
183.02725	0.4
201.05423	1.5
229.04921	2.8
247.05940	0.5
257.04443	2.3
274.04703	0.7
285.03903	0.8
303.04950	100.0
304.05301	2.1
465.10141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.4
55.01847	0.4
57.03426	1.7
59.04971	0.2
61.02896	0.4
65.03905	0.2
68.99790	0.3
69.03416	1.0
69.85496	1.4
71.01326	0.2
71.04980	11.4
73.02898	0.4
75.04450	0.6
75.11696	0.2
80.34754	0.2
81.03396	0.8
83.04955	0.5
83.66412	0.2
85.02890	15.6
87.04420	0.5
88.68250	0.2
88.81322	0.2
91.03922	0.3
97.02879	1.4
98.20725	0.2
99.04420	0.4
101.47417	0.2
109.02851	0.7
111.00777	0.8
111.04432	0.5
116.93767	0.2
117.07001	0.2
121.02831	0.9
123.04396	0.2
127.03902	1.2
129.05447	3.8
135.04388	0.3
137.02306	2.2
145.04962	0.9
147.06439	1.0
153.01802	2.9
160.07494	0.3
161.05975	0.2
163.03909	0.4
165.01791	1.6
166.02588	0.3
173.06032	0.4
183.02899	0.7
201.05457	1.4
219.06564	0.3
224.66959	0.2
229.04922	3.4
232.67174	0.2
247.06010	0.6
257.04459	1.8
274.04703	0.8
285.03943	1.3
287.05453	5.2
288.05856	0.3
303.04941	100.0
304.05252	3.3
345.05923	0.6
449.10757	0.8
465.10184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
57.03426	0.6
67.05504	1.5
69.03447	0.9
69.07072	0.8
70.33693	2.2
71.04979	1.6
77.26006	0.5
77.84955	0.4
78.26044	0.4
79.05478	1.0
79.60561	0.4
81.03400	1.7
81.07046	3.4
83.04958	0.6
85.02882	2.9
85.23367	0.5
91.05403	0.5
93.07034	1.3
95.04947	0.5
95.08596	1.4
95.91218	0.5
97.02843	0.8
97.06483	0.4
99.04462	0.7
103.03951	0.5
105.07011	1.5
106.28171	0.4
107.08562	1.0
109.02884	0.8
109.10203	0.9
117.07020	0.5
119.08598	0.8
121.10135	0.5
123.04415	0.8
123.11664	0.7
127.03913	1.6
129.05511	0.6
133.10197	0.9
145.04953	1.0
145.10126	0.6
153.01854	0.6
163.05972	0.7
165.14929	0.5
177.09041	0.4
181.04918	0.5
203.05338	0.7
229.05179	0.5
239.07124	0.4
243.04785	0.7
245.06409	1.3
287.03854	1.7
289.05261	8.8
303.01776	0.5
303.04956	13.4
304.05341	1.0
315.05084	0.5
345.23950	44.3
346.24246	0.7
347.25522	26.9
348.25888	0.5
363.20587	0.8
363.25009	15.9
405.25089	1.1
525.30402	3.1
567.31354	22.6
568.31561	0.8
611.30298	100.0
612.30469	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	611.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.1
53.52275	3.9
55.01854	6.3
55.05494	12.8
56.05030	5.6
57.03431	5.9
57.07041	6.3
59.04955	4.6
61.02911	4.6
63.54059	3.7
67.05495	34.0
69.03416	22.6
69.07056	27.5
69.72720	27.4
70.06580	5.1
71.04977	17.7
71.08643	5.8
72.04488	5.9
72.16359	4.5
73.02923	4.2
79.05472	19.8
80.05032	5.1
81.03399	15.1
81.07048	74.8
82.02963	3.9
82.07375	5.8
83.04924	4.1
83.08591	18.0
85.02897	44.5
85.06514	7.2
86.03184	6.5
86.09699	7.1
87.00821	12.0
91.05467	15.9
93.07045	23.7
95.04958	8.5
95.08586	66.1
96.04476	11.7
97.02882	14.5
97.10139	9.8
98.06040	5.5
99.04474	7.5
99.08086	10.0
100.03925	7.1
105.01846	9.4
105.07008	7.2
107.08596	25.3
109.02872	11.7
109.06493	20.1
109.10137	47.1
110.06010	11.7
110.06798	7.1
111.08035	5.9
119.04937	6.4
119.08531	9.2
121.10121	11.0
122.10444	4.6
123.11679	31.1
126.05503	16.5
127.03891	18.8
127.05822	6.5
127.11180	10.5
128.04344	4.1
129.05496	6.5
129.07040	5.2
133.10120	9.8
135.11650	18.9
137.09682	5.0
137.13210	14.3
139.11037	5.2
144.06549	100.0
145.04976	7.1
145.06876	31.9
145.10107	10.3
147.04370	18.8
147.11717	11.0
149.13206	12.6
151.14816	9.3
157.10110	12.5
158.10443	6.2
159.11629	5.3
162.53215	4.4
163.14807	9.4
165.09087	5.2
173.13327	4.3
177.16411	4.1
210.35062	4.7
217.19543	5.4
229.04897	4.5
253.19400	15.3
254.19846	19.1
255.20128	10.5
271.20639	8.1
272.20972	5.1
273.25665	9.6
279.26782	7.3
291.26776	26.5
303.01907	5.5
303.05035	66.5
304.05267	6.2
309.27835	17.2
326.23203	26.6
327.23444	39.8
344.24258	18.7
345.24585	30.5
362.25360	9.5
363.09741	4.7
363.25647	11.8
435.26465	10.5
560.72296	4.4
593.35449	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01861	1.7
55.05503	14.5
57.03429	6.4
57.07056	3.0
63.55361	0.9
65.03926	1.2
67.05496	36.8
69.07060	14.8
70.12039	1.7
70.12448	4.0
71.04967	1.9
77.03923	0.8
79.05482	30.0
81.07043	41.9
83.05007	1.5
83.08614	8.4
85.06522	2.6
91.05466	27.8
91.06035	1.5
93.07030	36.1
95.04980	5.4
95.05489	0.9
95.08591	36.6
95.09200	2.0
97.06503	2.8
97.10137	2.9
98.21063	1.7
99.08057	1.8
100.47958	0.9
103.05495	1.1
103.14480	0.9
105.07017	26.7
107.08575	21.9
109.06533	1.2
109.10143	13.9
111.08095	2.1
115.05477	1.5
115.08801	0.8
117.07008	13.6
119.08562	24.4
121.10133	15.3
121.10998	1.5
121.36281	0.9
123.08035	1.2
123.11674	4.9
125.09658	1.4
128.06229	2.3
129.07002	8.6
130.07794	1.1
131.08557	23.5
133.10109	19.4
135.01498	0.8
135.11668	13.0
137.09494	1.1
137.13254	1.4
141.06950	2.2
142.07779	2.8
143.08539	14.7
145.10112	19.2
147.11676	15.2
149.13266	6.7
151.14749	1.5
155.08499	5.1
157.10133	12.4
159.11684	19.1
161.13257	11.9
163.11168	1.1
163.14873	2.0
167.08571	1.3
169.10103	7.0
171.11653	10.9
173.13249	12.1
175.14838	6.5
181.10112	2.7
183.11664	6.0
185.13222	11.5
187.14793	6.7
189.16385	2.8
195.11778	2.1
197.13252	4.6
199.14830	6.2
201.16385	3.7
203.18079	1.1
209.13222	2.4
211.14873	3.7
213.16391	4.3
215.17931	2.7
217.15910	1.2
221.13123	1.2
223.14813	2.2
225.16473	3.0
227.18033	2.4
229.19466	2.2
231.21140	1.7
235.14983	1.1
237.16382	1.2
239.17920	2.7
241.19563	8.6
243.21098	2.6
255.17149	1.0
255.21318	1.1
257.19040	3.5
259.20508	16.2
261.21915	4.6
275.20163	1.2
285.22009	1.0
297.21982	1.5
302.23010	0.9
315.23306	1.7
325.25250	1.6
331.22998	1.2
333.24231	10.3
335.25766	18.4
337.27682	1.3
339.26947	1.5
351.25745	1.1
353.28735	1.3
367.29889	1.5
393.31946	1.1
519.41821	7.8
529.38501	1.4
537.43262	4.6
541.38611	2.1
575.44598	1.3
593.45416	7.4
611.46625	100.0
612.46753	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.01867	2.1
55.05504	20.5
57.03424	6.0
57.07053	4.2
57.99448	1.3
65.03916	2.1
67.05495	54.8
69.07053	22.1
70.10177	6.7
71.04988	2.6
71.08622	1.4
79.05482	34.2
81.07047	57.0
83.04952	1.5
83.08621	9.8
85.06554	1.9
89.47563	1.3
91.04919	2.4
91.05466	38.1
93.07030	43.5
95.04975	5.6
95.08592	42.0
97.06515	2.7
97.10152	4.4
98.20787	2.2
99.08071	1.6
102.48614	1.2
103.05428	1.5
105.07016	34.4
107.07903	2.1
107.08581	27.2
109.06475	1.9
109.10150	15.7
111.08046	1.7
115.05450	2.6
117.07006	14.1
119.08562	30.6
120.08973	1.2
121.10123	16.9
123.08044	2.6
123.11700	4.9
125.09618	1.9
128.06223	3.1
129.06993	10.9
130.07808	1.5
131.08551	29.2
133.10109	22.0
135.11681	12.7
137.09653	1.4
137.13290	1.7
141.06999	3.0
141.59195	1.2
142.07797	2.3
143.08540	13.6
144.09372	1.7
145.10107	23.5
147.07980	1.2
147.11670	19.4
149.09584	1.4
149.13235	8.3
155.08571	6.2
156.09335	1.7
157.10106	15.7
159.07881	1.0
159.11691	18.3
161.13240	13.0
162.99670	1.0
163.11139	1.3
163.14841	1.8
166.60742	1.1
167.08566	3.2
169.10101	7.4
171.11674	14.9
173.13242	14.8
175.14723	6.2
177.12741	1.9
178.38387	1.5
181.10146	4.5
183.11650	5.9
185.13245	12.0
187.14801	6.9
189.16409	1.8
191.17891	1.3
195.11684	3.6
197.13281	5.0
199.14848	5.5
201.16354	3.8
203.17934	1.6
209.13217	3.0
211.14838	4.7
212.15558	1.4
213.16396	4.8
215.17943	2.3
221.13049	1.4
223.14880	1.5
225.16296	2.6
227.18079	2.1
229.19498	2.0
231.21095	1.7
231.84911	1.2
239.17937	2.1
241.19603	7.6
243.21109	1.9
251.18079	1.3
253.19577	1.9
257.19006	3.1
259.20490	15.0
261.22144	4.0
275.20056	1.1
297.21991	2.0
299.23596	1.6
310.08798	1.3
325.25449	1.3
331.22729	1.7
333.24185	10.4
335.25784	19.3
336.26108	1.4
337.27396	2.0
339.26971	2.5
351.25732	1.3
367.30222	1.6
400.05176	1.1
519.42261	6.9
537.42865	4.8
541.38806	2.0
593.45587	9.8
611.46619	100.0
612.46832	4.7
627.79120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	2.3
55.05500	14.1
57.03424	4.3
57.07061	3.5
58.07786	1.5
63.46234	1.5
64.27123	1.6
67.05490	24.7
69.07059	13.7
69.87294	3.7
69.87728	6.5
75.02785	1.6
79.05483	18.3
81.07043	24.1
83.08606	9.2
83.50256	1.4
91.05453	16.0
93.07032	20.2
95.04962	2.0
95.08583	20.6
97.06528	3.1
97.10165	4.0
98.21420	3.2
103.44200	1.6
105.07007	22.3
107.08562	14.2
109.10122	10.8
114.75879	1.6
117.06999	13.7
119.08566	16.3
121.10129	9.9
123.11696	3.1
125.60036	1.6
129.07025	7.9
131.08546	18.5
133.10068	8.9
135.11676	5.0
141.06973	4.6
142.07806	3.1
143.08507	13.8
145.10092	16.6
147.11700	8.4
149.13248	2.7
155.08566	6.8
157.10106	11.7
159.11667	11.4
161.13239	5.3
163.14777	1.8
167.08543	2.6
169.10103	9.9
171.11676	10.2
173.13292	7.2
174.61646	1.7
175.14786	3.7
177.16446	1.6
181.10124	4.5
183.11665	9.5
185.13264	7.9
187.14793	5.0
189.16357	1.5
195.11612	3.3
197.13205	7.4
197.43422	1.6
199.13106	1.6
199.14832	6.0
201.16376	3.4
203.18098	1.8
209.13152	3.2
211.14818	3.9
213.16422	4.2
215.17924	3.6
223.14838	2.7
225.16434	2.0
227.17970	2.6
229.19585	2.3
239.17955	2.3
241.19611	3.0
243.21115	2.0
253.19495	1.7
275.20166	1.6
301.10614	1.7
311.23813	2.1
339.26953	2.0
353.28128	2.6
519.41809	11.7
537.43042	5.0
541.37897	2.0
557.65381	1.9
593.45502	10.0
611.46619	100.0
612.46875	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	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03677	1.1
51.02375	1.4
53.03937	2.8
55.01859	2.3
55.05502	15.6
57.03410	5.3
57.07055	2.0
61.22081	1.2
61.97645	1.1
65.03906	1.6
67.05137	2.3
67.05493	46.2
69.07060	15.7
71.04984	2.1
71.08622	1.9
71.42786	2.6
75.18897	1.4
79.05020	1.9
79.05476	26.4
81.07040	42.6
81.93824	1.3
83.08601	9.3
91.05460	26.8
93.07028	32.4
95.04953	4.6
95.08588	35.5
97.06517	2.6
97.10163	4.7
98.21366	1.4
99.08081	2.0
105.07011	27.0
107.08577	21.9
109.06506	1.5
109.10130	17.6
111.08076	2.2
111.11723	1.2
115.05427	2.3
117.06993	13.6
119.08560	24.4
121.10120	15.9
123.11692	5.5
125.09646	1.8
129.06990	8.2
129.07834	1.3
131.08540	21.1
133.10092	18.7
135.11685	11.4
137.09514	1.7
137.13196	1.5
141.07010	3.6
143.08542	9.5
145.10117	20.2
147.11655	13.8
149.09685	2.1
149.13248	5.2
155.08525	5.8
156.09406	1.5
157.10124	11.4
159.11687	14.9
161.13234	9.8
163.11192	1.9
163.14815	4.7
167.08568	1.2
169.10117	6.6
171.11670	13.0
173.13213	12.8
175.14774	5.8
177.12656	1.5
177.16396	1.3
179.16911	1.2
181.10158	2.3
183.11658	5.8
185.13190	8.6
187.14792	5.6
189.16380	2.6
195.11732	3.4
196.12689	1.2
197.13263	5.6
199.14783	7.9
201.16373	4.1
209.13210	2.1
211.14772	4.3
213.16362	2.9
215.17894	2.7
217.19598	1.5
223.14880	2.2
225.16333	3.7
227.17950	2.2
229.19473	1.8
231.21008	1.5
237.16483	1.8
239.17906	2.8
241.19508	6.6
255.21259	1.3
257.19055	2.9
259.20508	12.1
261.22144	3.1
275.20044	5.2
277.21701	1.6
325.25293	2.4
333.24234	6.8
335.25760	10.7
337.27615	1.3
353.28348	1.8
395.28549	1.3
449.34018	1.5
504.26315	1.5
519.41907	5.6
537.43048	3.9
541.38824	1.7
593.45605	7.7
611.46576	100.0
611.53607	4.1
612.46973	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	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03927	1.8
53.58773	1.0
55.05505	12.7
57.03422	5.2
57.07051	2.8
57.27290	1.1
62.51311	1.3
64.48612	1.1
65.03919	2.0
67.05493	38.7
69.07053	13.9
69.48727	11.9
71.04980	2.6
72.80488	1.2
79.05483	19.4
81.07042	45.0
81.10391	1.2
83.08620	8.0
91.05460	15.8
93.07028	26.7
95.04949	3.2
95.08002	2.4
95.08595	38.3
97.06506	2.6
97.10156	5.1
105.07004	16.8
107.08571	16.2
108.40471	1.1
109.06512	1.4
109.10143	21.8
116.33323	1.2
117.07008	7.6
119.08567	20.3
121.10133	17.7
123.11699	9.3
129.06995	3.4
131.08548	15.5
133.10110	16.6
135.11671	13.1
137.13254	2.8
143.08543	4.4
145.10110	13.2
147.11671	13.7
149.13226	9.7
151.14758	1.8
155.08527	2.6
157.10141	5.5
159.11673	13.5
161.13257	9.6
163.14781	3.4
169.10162	1.9
171.11667	4.0
173.13255	11.6
175.14803	7.3
177.16368	2.8
183.11650	2.2
185.13242	5.8
187.14767	6.1
189.16393	3.5
197.13312	1.7
199.14815	3.2
201.16345	4.1
203.18062	1.3
211.14856	1.8
213.16391	3.3
217.19507	1.6
225.16486	1.6
229.19554	1.5
231.21136	2.1
241.19489	3.9
243.21121	3.0
259.20526	8.3
261.22061	11.5
267.19385	1.4
270.12131	1.3
275.23712	2.0
279.23294	1.6
281.21191	1.6
287.23740	1.7
299.23660	1.7
313.25232	2.2
315.23434	2.0
317.24765	1.7
333.24384	5.8
335.25732	15.1
337.27365	10.4
359.29276	1.2
423.84238	1.3
475.34164	1.8
489.35907	1.9
503.36859	2.0
517.38605	2.5
521.43622	7.5
529.38293	1.3
538.52814	1.3
539.44550	4.5
543.40387	2.4
595.46936	12.3
613.48169	100.0
614.48218	4.5
641.78851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03933	1.8
54.05862	1.4
55.05502	16.7
57.03426	4.0
57.07059	2.7
64.94724	1.1
65.03941	1.6
66.40478	1.5
67.05138	2.5
67.05492	41.0
69.07057	14.2
71.08626	1.7
79.05479	23.3
81.07043	45.4
83.04939	1.4
83.08595	6.9
88.42319	1.1
91.05462	20.2
93.07025	27.9
95.04978	1.8
95.08587	34.4
95.09194	1.7
97.06495	2.5
97.10157	4.0
98.21079	7.9
105.07012	19.2
107.08582	15.8
109.10154	16.3
117.07005	9.2
119.08540	16.8
119.17034	1.5
121.10117	13.8
123.11691	6.8
125.63531	1.4
129.06966	4.2
131.08548	16.6
133.10095	13.6
135.11667	9.7
137.13243	3.8
143.08565	5.0
145.10098	10.9
147.11649	9.2
149.13217	4.9
155.08533	2.4
157.10135	4.3
159.11682	10.8
161.13257	6.9
163.14812	1.9
169.10155	1.8
171.11618	3.3
173.13179	8.0
175.14842	4.1
179.14383	2.1
183.11662	2.4
185.13239	3.8
187.14804	1.9
189.16380	2.9
195.97331	1.4
199.14795	2.2
201.16335	2.2
213.16498	1.3
215.18001	1.6
229.83363	1.5
241.19746	2.5
243.21196	2.9
259.20532	7.0
261.22055	6.0
277.21689	2.1
299.23761	1.4
309.24335	1.6
313.25122	1.8
317.24384	1.9
331.07764	1.5
333.24219	6.2
335.25690	15.3
337.27432	7.0
503.37064	2.5
517.38947	1.9
521.43658	5.7
539.44495	3.3
568.95630	1.5
595.47137	9.4
613.48145	100.0
614.48340	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	614.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
55.01841	0.6
55.05492	0.8
57.40876	0.4
61.02888	0.7
67.05478	0.9
69.03396	2.3
69.07040	1.5
70.06577	2.2
71.70403	1.0
72.08124	1.3
76.20387	0.5
77.22301	0.5
78.04691	0.8
79.05448	1.6
81.03400	0.8
81.07040	1.0
84.04467	0.7
84.08125	1.0
85.02896	3.3
86.09673	0.5
89.13302	0.5
91.05440	2.6
93.07030	1.1
95.04945	1.0
95.08591	0.5
97.02878	2.1
97.06506	0.6
99.04434	0.6
105.07013	7.0
106.04109	1.0
107.04948	2.5
109.02837	1.2
109.06487	1.3
109.10138	0.6
115.05411	2.6
117.06921	0.8
119.08548	1.6
121.06495	1.0
121.10099	0.7
122.05989	0.9
123.02452	0.5
123.04407	4.8
124.05168	0.9
124.07562	0.7
127.03886	1.3
129.06976	1.2
129.10201	1.0
131.04910	1.0
132.05638	0.7
133.06456	6.8
133.10065	0.7
135.08072	0.6
137.05888	0.6
139.03873	0.8
140.07094	0.6
143.04848	1.4
144.05650	0.7
145.04990	0.8
145.06483	1.1
146.05984	1.0
146.07236	0.7
147.06998	0.5
147.07985	3.1
149.05956	1.2
151.03825	1.4
152.04660	0.9
157.06456	1.2
159.07976	1.0
161.05952	10.6
163.03880	0.8
167.07010	100.0
168.07346	1.6
168.08913	0.7
175.07509	5.6
177.05385	0.8
181.08554	1.9
181.10144	0.5
185.09601	1.9
187.07385	1.2
191.07030	0.5
192.07834	1.2
193.08574	39.9
194.08882	0.5
195.10112	1.0
204.06454	0.7
205.08568	1.2
207.10132	57.7
208.10397	0.8
209.08051	1.8
211.09616	14.4
211.11662	0.7
213.08989	2.9
217.08420	0.7
219.10094	3.0
231.10179	1.3
233.11758	1.3
237.11192	3.5
242.10443	0.6
245.11687	4.7
263.12766	1.9
294.64703	0.6
313.11639	0.6
317.06393	0.6
331.16003	0.9
336.13986	0.5
366.22672	0.9
367.15268	0.8
399.12952	1.1
399.17947	13.4
417.19180	3.2
430.00507	0.6
471.13968	0.9
586.72736	0.6
614.22485	0.6
615.24103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
56.05001	0.4
57.07072	6.4
58.06598	2.4
60.48135	0.3
61.18532	0.3
61.63638	0.3
65.03922	1.0
67.05463	0.3
69.03413	0.3
69.07049	0.4
70.06585	18.0
70.95144	0.8
71.08616	2.8
72.08138	0.5
74.06046	0.6
78.11263	0.3
79.05470	0.3
81.07022	0.7
85.10186	0.7
87.64700	0.3
88.07620	21.2
91.05468	0.5
95.08597	0.3
102.09168	17.4
119.08563	0.3
121.02873	0.4
131.04958	0.3
139.03914	0.7
147.04382	0.6
148.05049	0.3
149.02325	43.9
175.03891	0.7
177.84196	0.3
193.04945	53.4
206.73643	0.3
219.06570	1.5
225.05469	1.1
256.26328	48.0
257.26770	0.8
269.04443	1.5
297.03952	2.9
313.07034	3.0
341.06494	12.2
359.07568	6.7
367.26758	0.3
374.00653	0.3
385.09146	51.0
386.09396	1.5
420.50473	0.3
596.31891	0.5
614.33148	100.0
615.33533	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	615.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
63.06827	0.5
67.05485	1.1
68.89773	0.5
69.03410	1.2
69.07053	0.7
70.06576	1.7
71.04964	0.7
71.68122	0.8
74.83186	0.6
79.05478	1.6
81.03401	1.1
81.07030	3.4
83.04964	1.0
85.02888	1.3
86.06128	0.8
91.05472	2.0
93.07043	2.4
95.04955	1.8
95.08613	2.4
97.02905	1.1
97.06508	0.7
99.04430	0.7
105.07005	2.1
107.08609	1.9
109.02888	1.3
109.06498	1.0
109.10156	1.4
111.04424	0.6
114.35747	0.5
119.08594	1.6
121.10110	1.1
121.94949	0.6
127.03901	1.1
131.08557	0.9
133.10144	1.0
135.08078	0.6
135.11676	0.7
137.05998	0.7
137.09592	1.1
142.07802	0.6
145.10159	0.9
149.09708	0.7
151.07542	0.7
163.03836	0.9
165.09113	1.2
167.07120	1.2
176.35541	0.6
194.57635	0.5
203.05408	0.6
218.27504	0.6
234.29382	0.6
245.06308	6.3
253.16644	0.6
270.17038	1.4
284.30124	0.7
287.05603	2.3
289.05240	12.7
319.25024	1.3
349.27100	22.2
367.28177	12.4
518.22241	0.8
529.33087	2.8
553.33734	0.8
571.34467	21.9
572.34534	1.2
597.32355	2.4
615.33527	100.0
616.34045	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	615.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	28.1
56.63494	3.0
57.03409	8.8
57.07046	12.2
57.61661	3.5
67.05494	59.4
69.07062	32.6
70.75383	10.3
70.75718	4.0
71.08591	6.8
79.05474	38.6
81.07043	73.2
83.08587	12.5
91.05468	26.5
93.07031	46.3
95.08597	50.4
97.06490	5.9
97.10133	9.9
99.08039	4.2
105.07014	27.2
107.08571	29.6
108.37252	3.1
109.10141	26.0
117.06963	9.5
117.54910	3.1
119.08553	25.6
121.10154	15.7
123.11684	9.9
131.08521	14.0
133.10120	18.9
135.11650	14.6
143.08485	4.7
145.10057	17.4
147.11673	14.0
149.13248	7.1
159.11678	8.1
161.13203	10.8
163.11140	4.5
165.12791	4.0
171.11658	5.4
173.13248	6.8
175.14861	4.3
177.16451	3.2
187.14775	4.6
241.19464	3.4
245.22734	3.3
259.20386	6.6
261.22156	9.2
277.21533	7.7
335.25742	8.4
337.27261	12.5
339.28796	3.7
523.45007	5.5
597.48511	14.1
615.49652	100.0
616.49634	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	615.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
53.35936	1.7
55.05499	21.6
55.85889	2.0
57.03420	5.1
57.07065	8.7
59.46144	1.8
60.06361	2.0
65.03928	2.2
67.05493	49.5
69.07053	19.8
71.08618	3.8
71.13134	3.9
77.74099	2.0
79.05484	30.8
81.07045	56.6
81.51762	1.9
83.08607	12.9
89.06028	3.0
91.05477	18.9
93.07027	35.4
95.04957	2.5
95.08590	46.3
97.06503	2.6
97.10168	8.3
105.07021	23.4
107.08578	24.8
109.10124	18.3
117.07021	5.9
119.08558	24.0
121.10139	17.2
123.08100	2.5
123.11695	5.8
129.06996	3.1
131.08546	11.9
133.10135	14.0
135.11662	13.8
137.13251	4.8
143.08569	4.1
145.10118	11.3
147.11627	9.9
149.13249	7.5
157.10143	4.0
159.11711	8.6
161.13264	7.5
163.14851	4.1
171.11658	4.0
173.13258	4.9
175.14827	6.5
183.11586	2.3
187.14757	4.7
189.16405	3.3
205.19388	2.1
208.79256	2.1
233.22723	2.5
241.19536	3.1
243.21074	4.2
259.20584	3.0
261.22156	6.0
265.17987	2.0
333.24274	2.5
335.25815	7.6
337.27292	12.1
339.28922	6.3
432.63870	2.4
523.45270	4.1
530.44592	2.0
536.15332	2.1
541.45892	2.7
597.48749	9.2
615.49731	100.0
616.49359	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01868	0.7
57.03415	0.8
67.05481	2.3
69.03421	1.6
69.07039	0.6
70.06583	3.0
70.56401	0.5
71.04970	0.6
71.70259	0.6
77.19678	0.6
78.04709	2.0
79.05467	3.0
81.03398	0.7
81.07020	1.9
84.04488	0.5
84.08164	0.9
85.02881	3.5
86.09679	1.3
91.05456	1.8
93.07037	1.4
94.06533	0.7
95.04952	1.9
95.08586	1.4
97.02863	1.9
103.05450	1.0
105.07014	6.8
106.04140	1.3
107.04929	3.7
107.08533	0.7
109.10143	3.6
115.05409	1.3
117.06944	0.6
119.08541	1.3
121.06496	1.2
121.10164	0.7
122.06033	1.5
123.04409	9.6
124.03967	0.7
124.05161	1.1
125.05964	0.9
127.03864	1.7
129.01805	0.6
129.06973	0.8
131.04913	0.6
133.06480	9.0
135.04366	1.1
135.08011	0.6
137.05962	2.2
137.09590	5.4
139.03851	1.0
139.07487	0.6
140.06985	1.1
142.17052	0.6
143.04875	0.7
145.06419	1.4
146.05968	1.3
147.04399	1.3
147.07999	1.0
151.03897	1.4
151.07486	1.0
152.04628	1.5
153.05505	0.7
153.06868	0.7
155.08498	1.4
161.05956	8.3
161.09625	1.2
163.03877	1.7
163.07574	0.7
165.09090	3.4
167.07019	100.0
168.07379	1.8
174.05452	1.7
175.07503	1.3
177.09021	0.6
179.04851	0.5
180.08589	0.9
181.08614	1.8
183.07928	0.8
189.09114	0.8
193.08578	56.4
194.08902	1.2
203.10596	1.1
207.10139	10.1
211.09653	1.3
215.10649	1.6
221.11703	2.3
233.11636	1.1
247.13277	4.6
267.11234	0.7
270.50327	0.7
273.07510	4.8
275.12729	1.0
285.12213	0.9
286.12589	0.8
287.49088	0.6
313.11832	1.2
314.12173	0.7
332.13354	0.8
337.14206	0.9
353.12350	0.7
369.16913	1.3
371.12473	0.9
373.13748	0.7
388.16058	0.7
401.14218	1.3
401.19540	23.7
415.14722	0.9
416.15308	1.0
417.16287	1.5
419.20633	2.7
434.16614	0.6
436.19052	0.7
454.19415	1.0
475.16602	2.6
476.17621	1.5
563.15967	0.9
599.20648	0.8
616.23737	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	617.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49701	3.1
56.96559	60.0
57.03412	4.5
69.03406	6.5
69.36948	36.8
72.42995	2.9
84.96020	6.5
85.02881	13.7
89.03913	10.3
95.04939	4.9
97.02891	8.0
98.97565	50.1
107.04940	13.9
109.02889	4.2
110.37561	3.0
110.97564	7.2
111.04428	5.0
112.99100	8.0
116.98605	42.4
117.03348	9.2
119.01897	6.9
119.04917	6.5
121.89857	3.1
123.04414	26.6
127.03896	14.5
128.98578	13.9
131.00142	7.8
134.99631	24.4
135.04398	30.6
139.03903	21.2
143.00153	18.5
143.01953	4.0
145.02841	13.1
145.04886	4.0
146.99608	15.9
147.04404	9.5
149.01184	10.2
149.02254	4.1
149.85007	3.1
151.03897	8.6
158.99655	13.5
159.03261	4.6
160.97560	4.0
161.01208	35.2
161.02791	6.9
162.99173	4.8
163.02820	4.1
163.03885	100.0
164.04208	6.4
165.00647	5.6
168.98083	3.8
169.01678	3.5
170.99615	14.5
173.01215	5.9
173.02902	5.9
175.02750	3.6
177.00720	24.5
179.02176	7.1
185.01337	5.5
185.02942	11.0
187.02766	6.5
189.00673	29.7
190.98654	8.3
191.02211	4.3
193.01796	4.7
193.03696	5.4
197.01274	6.2
201.00696	12.4
202.98749	3.4
203.02138	7.6
205.00198	12.1
207.01762	14.5
208.99574	4.3
211.02783	7.8
213.00624	6.1
218.99683	6.6
219.01747	26.9
221.03117	6.2
224.57675	3.3
227.02220	3.3
230.98123	8.0
231.01666	7.1
232.99673	6.2
235.01216	6.1
237.00647	43.0
237.02820	25.3
243.01785	4.8
245.04907	18.6
246.05136	4.1
247.04936	4.6
249.02795	9.8
255.01666	40.5
255.03671	5.1
257.04538	5.8
259.06015	4.7
261.02802	17.4
263.00729	6.7
267.03851	11.3
269.03430	5.7
273.02759	48.4
275.00812	5.5
279.03922	12.5
281.01785	3.9
281.05350	12.1
291.03809	11.1
293.05081	6.7
297.02734	4.7
305.01871	10.4
321.04816	6.6
323.02777	7.1
335.02554	4.6
337.07986	12.6
346.04099	3.6
347.04272	4.0
355.08908	4.1
365.04816	8.9
393.04633	9.2
397.10007	4.0
411.05768	20.6
421.04349	6.7
429.07114	44.2
437.13690	3.5
441.08920	3.8
443.08917	4.4
453.07056	12.3
467.25156	3.7
471.07718	3.7
483.08029	20.6
501.08942	7.0
511.07166	10.9
539.06622	3.6
599.08759	5.8
617.10529	59.1
617.19745	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	617.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01852	2.2
55.05493	1.0
63.99833	0.5
65.03916	1.2
67.05487	3.9
68.99780	3.1
69.03416	2.2
69.07049	1.2
69.43161	6.4
70.06582	1.0
79.05476	3.8
81.03404	5.7
81.07059	3.1
83.04959	1.3
85.02873	2.4
91.05476	7.8
93.07027	2.2
95.01297	0.8
95.04388	1.1
95.04952	11.3
95.08597	2.1
97.02878	1.9
97.06507	1.7
98.21411	0.9
105.07006	6.1
107.04937	46.1
107.08584	2.4
109.02853	5.3
109.06493	0.9
109.10134	1.9
111.00768	1.5
111.04421	1.7
115.05444	1.6
117.07008	5.4
119.04925	26.4
119.08556	2.6
121.02851	3.4
121.06490	2.6
121.10079	0.9
123.04407	31.2
123.08030	0.9
123.11658	2.1
125.02341	0.9
127.03886	1.8
128.06219	1.5
129.06975	2.3
130.07834	0.7
131.04900	1.8
131.08545	3.6
133.06464	3.4
133.10126	1.9
135.04436	1.4
136.07574	0.9
137.06003	0.7
137.09581	1.1
139.03877	35.6
141.06967	2.1
142.07774	0.9
143.08542	6.5
145.02866	0.8
145.06471	2.5
145.10092	4.9
146.10545	0.6
147.04375	11.4
147.08047	1.4
149.02309	4.8
149.05960	1.1
149.09589	0.8
151.03882	14.7
151.05051	1.0
153.01776	3.8
153.09023	0.7
154.07759	0.6
155.04932	0.8
155.08539	2.7
157.06483	2.4
157.10126	2.7
159.04372	0.9
159.08035	2.1
159.11679	1.5
161.05954	2.4
161.09618	1.9
162.09052	0.8
163.03922	2.9
165.01872	1.1
165.06985	1.6
165.09045	1.3
167.03368	1.6
167.08540	5.5
169.06509	1.6
169.10141	2.3
171.04425	1.5
171.08046	2.0
173.05940	1.8
173.09621	1.2
175.07510	0.9
175.14897	0.7
177.05466	1.8
177.09109	1.2
181.06517	1.2
181.10049	1.1
183.07997	3.8
185.05959	2.8
185.09589	5.2
187.07504	0.8
187.11214	1.0
189.05527	3.0
189.09074	1.3
191.08531	0.6
193.10219	1.0
193.12306	0.6
195.08014	1.0
195.11726	0.9
197.06030	1.8
197.09547	0.7
198.06871	0.6
199.07549	2.3
201.05478	2.2
201.09006	0.7
203.03540	0.7
203.06996	2.6
203.08736	0.7
203.10654	0.9
205.04886	1.9
209.09686	0.8
211.07585	2.6
211.11269	1.0
213.05461	3.6
213.09074	0.8
215.06940	7.7
216.04163	1.6
217.04962	1.0
219.11786	0.7
221.09688	1.5
225.05391	1.3
227.07031	2.4
229.04939	17.4
229.08511	1.3
230.05707	1.6
231.06480	35.3
231.10245	1.7
232.06764	0.7
233.09627	0.9
235.11200	1.7
237.12752	2.5
239.07033	2.9
241.08588	1.0
242.05806	0.7
243.06491	9.0
245.07921	4.5
247.11194	1.1
249.11188	3.7
253.04959	0.9
255.06445	7.8
257.08243	0.8
258.08875	0.6
263.10541	1.6
265.12228	1.6
267.10028	0.6
269.11884	0.7
271.06000	1.8
273.07541	26.8
275.16510	0.7
281.11707	0.7
283.13470	1.6
293.11618	0.9
307.09567	0.6
309.11411	0.7
315.19424	1.2
317.13873	1.2
327.12201	0.8
329.13867	1.9
333.20529	3.3
343.11996	1.2
351.21695	1.1
355.11691	20.8
355.15924	1.2
357.13239	4.4
407.14746	0.7
409.16083	0.7
419.15192	1.0
421.17102	0.7
435.14145	1.6
445.16272	1.3
447.14349	1.2
449.15900	8.8
453.15469	5.5
463.17508	2.1
465.15289	2.9
481.14890	100.0
482.15192	3.4
483.16568	1.5
493.15009	3.3
505.14865	2.2
553.17694	1.0
571.19464	1.9
599.19031	2.0
617.19757	1.8
617.30847	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	617.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55404	0.4
53.03930	0.5
55.05497	1.3
57.03429	0.5
58.77019	0.5
64.56775	0.5
67.01795	0.4
67.05495	2.4
69.03416	2.4
69.07068	1.3
70.06571	1.7
71.04973	1.6
71.68242	0.9
73.02894	0.9
74.45953	0.6
79.05487	1.5
81.03397	2.4
81.06603	0.5
81.07030	3.0
83.04964	1.8
83.08608	0.8
84.08083	0.5
85.02904	4.7
87.00797	0.8
87.04487	0.5
91.05476	2.3
93.07032	3.1
95.01945	0.7
95.04947	2.1
95.08584	2.7
97.02879	2.0
97.06513	0.6
99.04431	0.8
103.05484	0.6
105.01826	0.9
105.07021	2.4
107.04943	1.3
107.08580	2.5
109.02887	1.2
109.06510	1.0
109.10151	1.9
111.04420	1.2
111.08134	0.6
117.07040	0.8
119.04888	0.5
119.08563	2.1
120.08114	1.7
121.06507	0.6
121.10142	1.4
123.04391	0.7
123.08063	1.0
127.03899	2.0
129.05515	1.0
131.08562	1.0
133.06491	0.7
133.10127	1.4
135.08041	1.5
135.11673	0.8
136.44235	0.5
137.05957	1.3
137.09587	0.7
143.08501	0.9
145.10057	1.7
147.04395	0.6
147.06535	0.8
147.08098	0.8
147.11703	0.8
149.09688	0.6
157.10152	0.5
159.08095	0.8
161.02925	0.6
163.07568	1.0
163.11127	0.6
165.09122	1.0
166.26929	0.5
169.27402	0.5
171.11714	0.9
173.09570	0.9
179.06917	0.5
183.11676	0.6
185.04280	0.8
203.05276	2.3
205.75717	0.6
227.05206	1.1
243.14885	0.6
245.06299	8.9
276.39932	0.5
289.05246	30.8
294.73865	0.5
299.20142	0.7
319.24765	1.0
321.26459	1.0
339.27383	0.8
351.28696	7.1
369.25253	0.8
369.29752	8.5
373.14120	1.7
411.29657	2.1
531.34662	2.9
542.80640	0.6
555.34845	0.8
573.36047	15.3
574.36377	1.0
599.34198	5.4
617.35059	100.0
618.35522	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	617.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05491	0.9
55.71398	0.5
67.05488	1.2
69.03401	1.0
69.41098	3.9
69.41521	1.4
77.00900	1.1
79.05466	1.1
81.03403	1.2
81.07037	1.4
83.04942	0.7
83.95879	0.4
85.02899	0.9
91.05458	1.3
93.07035	0.9
95.01942	1.3
95.04908	0.6
95.08581	1.6
97.02883	0.7
105.07059	1.3
107.08588	1.2
109.02816	0.5
109.10145	1.4
119.08535	0.9
121.06478	0.7
121.10149	0.8
125.40960	0.5
127.03922	0.7
131.08527	0.7
157.10120	0.5
174.16600	0.5
203.05283	1.2
227.05383	0.7
245.06342	7.1
289.05243	7.2
319.24713	0.6
320.25214	0.6
321.26404	2.0
337.25916	0.6
339.27454	3.6
351.28549	5.7
365.25482	0.8
369.09714	0.9
369.29626	5.5
411.29398	4.4
425.31387	0.7
513.33337	1.0
531.34918	5.3
555.35510	1.8
569.32861	0.8
573.35968	17.4
574.36462	0.5
599.23871	0.8
599.33917	6.2
617.34985	100.0
618.35541	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36691	4.4
52.50345	3.9
53.03930	7.6
55.01859	10.3
55.05504	46.3
57.07057	10.6
67.05486	27.8
69.03412	17.8
69.07045	21.9
70.06573	24.3
71.04972	7.1
72.08108	5.1
72.66901	3.9
79.05482	32.7
81.07039	52.1
83.04984	19.6
83.08608	78.6
85.02909	5.9
85.06547	13.9
87.04445	5.3
91.05461	56.9
93.07024	59.4
95.04955	39.3
95.08572	37.7
97.06518	31.0
98.21430	12.1
99.04461	6.0
102.43790	4.5
103.05433	5.3
104.10724	40.2
105.07010	100.0
107.04939	6.0
107.08575	79.5
107.09249	8.2
109.06488	24.0
109.10135	34.6
109.12215	5.0
111.08022	6.0
113.09666	9.5
115.05431	9.8
117.07002	21.1
119.08562	90.3
120.09362	4.7
121.06503	11.4
121.10138	49.5
123.08072	24.7
125.09620	20.7
128.06210	19.1
129.07004	21.0
130.07713	12.6
131.08530	50.3
132.09380	9.5
133.10106	54.5
135.08051	18.4
135.11684	10.2
137.09540	7.4
139.11147	13.1
141.06966	10.8
142.07776	24.2
143.08534	55.0
144.09300	11.2
145.06508	6.8
145.10127	72.2
147.08055	27.8
147.11662	27.5
149.09607	16.0
153.06958	4.9
155.08539	25.1
155.10645	16.5
156.09288	22.5
157.10098	72.5
158.10925	6.2
159.08040	15.4
159.11670	36.5
160.08807	14.6
161.09599	20.9
161.13196	7.7
163.11220	8.2
165.07018	7.4
167.08522	13.1
167.10674	21.0
168.09248	7.2
169.10085	41.2
170.10925	10.7
171.10286	8.4
171.11618	32.5
173.09599	10.0
173.13258	17.3
175.11209	13.4
179.08524	11.4
179.14258	10.3
180.09364	7.6
181.10136	28.5
181.12201	36.7
182.10893	14.4
183.11671	27.3
184.12439	7.9
185.09584	6.0
185.13213	26.2
186.13985	6.5
187.11185	10.7
187.14781	11.6
189.12674	7.1
191.14304	14.4
193.10124	14.5
194.10945	11.6
195.11667	23.5
195.13548	5.6
196.12440	15.3
197.13252	39.3
199.11156	6.1
199.14816	20.5
201.12738	5.1
201.16397	5.2
203.14174	7.3
205.10104	5.8
206.10857	8.2
207.11682	18.9
208.12474	10.7
209.13213	28.9
209.15182	8.9
210.13956	8.0
211.14838	20.4
213.12762	9.7
213.16425	8.3
215.14249	22.0
216.97934	6.2
217.15790	5.6
221.13231	18.4
221.15364	36.4
222.15858	5.3
223.14781	16.1
225.12811	8.2
225.14645	10.6
225.16563	7.4
227.14400	7.3
229.15807	8.1
231.11754	5.5
232.14507	5.1
233.13254	6.9
233.15312	49.8
234.16087	9.0
235.14781	21.0
236.15656	4.9
237.12686	6.1
237.16515	12.0
245.13237	6.9
247.17050	7.8
249.16379	9.1
251.17908	8.5
253.15985	5.2
255.17381	46.6
259.14600	5.1
261.16464	7.4
263.17932	8.9
265.19559	8.2
269.18991	5.4
273.18637	8.4
283.20459	6.4
286.19397	7.0
287.20322	6.0
289.19321	5.3
293.19101	7.7
294.19730	6.8
299.20035	10.8
319.20309	6.5
335.23566	5.1
347.23407	6.5
365.24826	11.4
367.26425	6.9
383.25531	15.2
399.26578	4.9
414.29324	5.7
457.30817	5.6
618.43158	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.4
68.99779	8.3
70.06561	4.5
71.09319	6.2
71.96574	2.7
84.04480	9.0
84.04941	2.6
91.05468	5.4
95.04934	7.1
103.05490	2.8
103.61395	2.7
105.66189	2.9
107.04928	5.2
109.02877	5.8
110.07162	3.6
111.00790	4.8
111.04437	12.1
118.06491	4.0
119.04918	9.8
122.06034	4.4
123.04403	100.0
124.04740	2.9
127.03896	23.3
131.04907	4.7
135.04387	34.2
137.02356	5.9
137.05931	5.1
138.05492	6.7
139.03883	63.6
140.96085	2.9
143.04927	2.5
145.06410	2.7
146.06004	13.9
147.04393	25.4
149.02316	5.5
149.05945	5.8
150.05511	3.7
151.03886	18.3
152.07063	23.4
153.05453	5.4
154.04971	6.3
155.04944	2.8
159.04414	3.7
161.05962	6.0
162.05528	8.2
163.03873	45.2
164.07034	45.4
164.08311	3.9
165.05492	9.0
166.08649	4.7
167.03409	8.0
168.06523	21.7
173.05946	6.2
175.03899	10.1
176.07054	14.8
176.68231	2.8
177.05464	7.5
178.05009	7.5
179.03398	14.4
180.06535	20.6
187.03864	9.2
188.07076	4.2
189.05443	4.1
191.03285	13.7
192.06522	11.3
193.05038	4.5
194.08095	40.8
194.42468	2.5
197.05978	3.9
201.05478	7.2
203.03394	9.7
204.06546	11.0
205.04962	4.2
213.05496	4.8
222.07538	12.4
223.02341	9.6
228.06555	4.2
229.04984	15.4
231.06534	5.9
233.04411	6.0
241.04991	4.4
243.06467	4.3
245.04485	12.7
247.05994	33.6
248.06235	3.4
253.04800	3.4
257.04443	31.5
258.05167	3.9
259.05890	8.5
271.05951	14.6
272.05722	3.8
274.07333	4.4
275.05460	6.9
281.04453	7.2
283.05850	9.3
285.07626	4.1
286.07104	3.4
287.05426	24.5
288.08533	15.9
289.07080	14.5
291.08563	3.3
298.07062	31.3
299.05582	5.9
300.08588	7.3
301.07062	8.2
312.08432	6.5
313.07013	8.4
314.10156	4.6
316.08145	11.0
324.08701	4.3
328.08270	6.6
330.09705	27.5
332.11191	53.6
342.09695	5.8
366.09586	2.8
374.12244	15.2
407.07840	3.7
409.09171	10.4
412.51514	3.0
419.08502	3.0
425.08517	3.7
427.10162	4.4
432.10681	4.1
433.09000	3.2
434.12009	2.8
450.11813	36.4
451.10251	8.7
452.13461	4.4
468.12756	21.8
515.26599	2.8
620.17261	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07571	1.0
51.07851	0.9
53.03925	3.8
55.01862	5.5
55.05499	3.4
57.03419	2.7
60.17295	0.9
61.02925	1.4
67.05482	6.2
69.03416	24.3
69.07042	4.2
69.45134	1.1
71.04976	5.8
71.69798	1.5
72.08096	1.0
73.02905	3.0
74.09676	1.1
79.05495	5.4
81.03396	12.0
81.07039	11.4
83.04946	2.6
83.08610	2.4
84.08145	1.1
85.02392	1.5
85.02891	23.3
87.00813	9.9
87.04407	1.1
91.03937	1.7
91.05477	5.7
93.07025	15.8
94.07352	1.5
95.01228	1.2
95.04953	3.3
95.08588	14.0
97.02865	12.2
97.06527	5.4
97.10156	1.4
97.83873	1.2
99.04433	5.3
105.01845	5.9
105.07014	13.9
106.07325	1.4
107.04929	2.9
107.08572	17.3
108.04485	1.4
109.02852	11.6
109.06476	4.8
109.10159	8.1
111.04417	1.5
111.08066	2.2
115.50649	1.1
117.01796	2.5
117.07023	1.8
119.08563	13.0
119.39082	1.0
121.06470	5.2
121.10125	20.0
123.04415	2.4
123.08043	2.9
123.11688	4.3
125.09598	3.8
126.05452	1.8
127.03893	15.4
127.11090	1.4
129.01781	2.3
129.06981	2.1
131.08517	6.0
133.10103	25.0
134.10451	1.4
135.08020	5.5
135.11696	9.3
137.09592	4.3
137.13232	2.1
139.11163	8.1
143.08548	4.2
145.04953	6.2
145.10078	11.6
147.08025	2.5
147.11641	5.0
149.09583	6.2
149.13258	1.5
151.11148	26.1
153.12650	1.3
155.08479	1.4
157.10118	8.0
159.02881	5.7
159.08043	2.6
159.11649	5.6
160.08817	1.1
161.09633	5.4
161.13211	2.2
163.11156	5.8
165.09071	1.7
168.33923	1.2
169.10089	2.3
171.11685	4.4
173.09599	4.2
173.13165	5.4
175.11171	12.8
175.14780	2.0
175.62303	1.2
177.08856	1.1
177.12749	4.1
185.13196	2.7
187.11037	1.6
187.14810	2.6
189.12666	2.3
189.16341	2.1
193.77803	1.2
197.13173	5.1
199.11209	1.7
199.14804	5.9
201.12592	1.4
203.14261	4.4
213.12711	4.9
213.16293	7.2
215.14296	4.2
223.14825	1.3
225.45287	1.6
227.14334	1.4
231.04932	2.5
231.17415	8.7
235.59198	1.2
241.19513	2.0
248.07722	1.1
252.29991	1.2
255.20961	1.8
259.20538	3.3
265.19427	2.2
273.22089	3.8
275.23755	1.2
283.20511	18.1
301.21573	100.0
302.21936	3.7
319.22623	52.4
337.23663	85.5
338.24203	1.9
394.51169	1.1
422.27411	1.1
585.28571	3.4
620.31012	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	620.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.05498	8.0
57.03429	11.3
59.04983	3.2
61.02904	1.5
65.03928	2.2
67.05491	79.0
69.07043	10.7
71.04980	2.3
71.69564	1.8
74.80685	1.6
75.40685	1.3
75.57218	1.3
79.05477	14.8
81.03392	3.2
81.07041	36.4
83.04960	2.5
83.08588	9.3
83.60908	1.3
85.02876	4.5
85.06520	3.9
91.03905	1.4
91.05459	10.9
93.07030	24.8
95.04942	2.8
95.08590	11.6
97.02884	1.9
97.06524	4.7
105.07001	5.0
105.74232	1.2
107.08571	14.0
109.10133	51.8
109.40766	1.4
111.04404	1.4
111.08058	3.9
117.06989	5.8
119.08540	5.1
119.47517	1.6
121.10114	8.5
123.04406	2.2
131.08539	4.6
133.10120	3.9
135.11662	4.1
147.11612	1.5
149.02335	2.3
149.13231	11.3
159.11665	4.5
173.11708	10.9
177.12688	2.1
191.69473	1.4
193.04890	1.7
195.13744	3.8
229.14320	35.6
269.17432	36.2
341.27557	1.4
423.27341	100.0
511.88669	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	620.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01864	1.4
55.05497	3.9
56.05018	2.8
57.07070	2.1
57.15472	1.0
60.04515	2.5
67.05489	7.9
69.07044	2.3
69.88538	3.8
69.88972	3.4
70.06566	2.8
71.04980	2.7
79.05482	11.4
80.04988	1.6
81.03408	2.2
81.05779	2.0
81.07048	9.0
82.06564	3.2
83.04998	0.9
83.08607	1.9
85.02879	2.4
85.06510	1.2
87.04453	1.9
91.05461	5.7
93.07037	19.9
94.06553	14.6
95.04967	3.3
95.08591	17.2
96.08128	3.4
97.06528	3.5
103.05490	1.0
104.10743	1.7
105.07009	11.5
107.07304	3.8
110.09653	10.6
111.08080	12.9
119.08578	1.5
120.08116	1.1
121.10176	1.1
122.09643	31.4
123.08040	24.3
128.10693	30.9
140.10677	100.0
141.09088	10.6
158.11726	9.1
270.04962	1.1
282.27914	2.2
300.28998	8.3
355.11099	1.0
404.35263	1.6
410.36444	8.7
422.36279	18.8
431.18646	2.1
440.37323	51.9
447.21420	1.2
474.20453	2.0
521.52307	1.1
533.25232	2.9
538.23285	1.1
561.25269	8.0
593.27380	1.8
621.26959	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.85023	0.2
56.14345	0.2
71.19210	0.5
100.09467	0.2
129.34891	0.2
175.55014	0.2
197.10825	0.3
200.17271	0.2
207.09207	0.2
209.10664	0.3
211.08725	0.2
221.10722	0.2
223.12222	0.2
249.10373	0.3
251.11807	0.2
286.13370	0.2
310.13361	0.2
323.14172	0.2
324.14835	0.3
351.13297	0.2
373.14395	0.4
374.15414	0.5
375.16043	0.9
376.17316	0.2
385.15411	0.2
387.16061	0.7
388.16815	1.1
389.17560	2.6
390.18433	1.0
391.19138	1.0
401.13214	0.3
401.17740	0.7
402.14008	0.4
402.18695	1.3
403.15341	0.5
403.19391	3.7
404.20023	2.1
405.16138	0.3
405.20767	2.2
406.21158	0.3
413.17593	0.3
415.14890	0.2
415.19452	0.6
416.15445	1.2
416.20438	0.6
417.17007	3.2
417.21024	2.1
418.17545	0.7
418.22516	0.9
419.22305	7.1
420.22806	0.8
429.16443	0.4
430.17035	1.1
431.17969	5.9
431.23483	0.8
432.18997	2.8
433.19986	2.3
434.20706	0.2
435.21588	0.2
443.18372	0.3
444.19342	0.4
445.20035	5.3
446.20877	6.3
447.21719	8.9
448.22266	0.8
456.19714	0.3
458.21387	0.3
459.22806	2.4
460.17868	0.3
460.22580	1.0
461.19324	1.5
462.20609	0.2
463.21198	0.4
473.19434	0.8
473.23679	1.0
474.20267	5.4
475.21176	7.4
476.21466	0.7
477.22824	0.4
478.23334	0.3
487.21259	3.0
488.21918	1.0
489.22635	0.4
490.23120	0.3
491.21057	1.2
501.22812	1.8
502.23682	0.3
503.20676	0.5
504.21405	0.3
505.25766	0.9
517.22516	0.2
518.23297	0.6
519.20428	0.8
529.22382	0.6
533.25397	13.5
534.26306	1.0
546.22699	0.5
561.24872	20.5
562.25256	1.8
565.27380	0.3
589.24609	1.1
593.27484	3.8
594.27759	0.2
621.26959	100.0
622.27264	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.89379	0.6
63.56844	0.6
71.45306	1.6
94.61717	0.8
95.08587	0.8
113.31448	0.7
117.94786	0.7
123.14092	0.8
149.85347	0.7
327.81647	1.0
352.66489	0.9
389.17535	1.3
390.18185	1.2
401.17844	1.6
402.18625	1.1
403.19217	2.2
404.20096	2.0
405.20694	1.1
417.16360	1.0
417.21173	1.7
419.22330	4.1
420.23184	1.5
431.17926	1.4
445.20435	3.7
446.21127	2.5
447.21735	5.9
459.18231	3.3
460.18604	1.2
461.19794	2.5
473.19095	1.7
474.20337	6.4
475.21207	12.2
475.27429	1.1
476.21725	1.2
487.21295	2.5
488.21753	0.9
501.22827	3.1
505.26001	0.9
529.22400	1.0
532.25348	0.8
533.25647	6.3
546.22675	1.1
561.24878	28.3
562.25269	3.0
589.24377	1.3
621.26990	100.0
622.27399	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	621.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01989	0.5
57.04715	0.4
61.69194	0.4
69.34536	4.5
207.09044	0.5
207.45401	0.4
209.10678	0.4
220.18517	0.4
247.12175	0.4
250.88736	0.4
264.33746	0.4
311.57242	0.4
375.15942	1.0
387.15985	1.3
388.16751	1.5
389.17664	3.8
390.18137	1.3
391.19141	0.6
401.17587	1.7
402.14194	1.0
402.18723	1.1
403.19293	6.1
404.20227	2.6
405.20520	1.5
413.16861	0.5
415.19312	0.8
416.15253	1.9
416.20618	0.7
417.16840	3.6
417.20801	3.3
418.17001	0.8
418.21579	1.3
419.22287	9.1
420.22699	0.7
429.16443	0.7
429.21332	0.5
430.17456	0.8
430.22049	0.6
431.17950	7.7
431.23383	0.9
432.18936	2.9
433.20178	1.4
444.19388	1.1
445.20047	7.7
446.20825	6.6
447.21710	15.2
448.22253	0.6
458.21179	0.4
459.17587	1.8
459.21985	2.1
460.18051	0.9
460.23380	0.7
461.19751	1.2
473.19507	1.8
473.24509	0.8
474.20389	15.3
475.21204	20.7
476.21783	0.6
487.21329	5.3
488.21783	2.2
491.20602	0.5
501.22742	3.6
502.23309	0.8
503.21161	0.7
505.26630	2.3
517.22742	0.7
518.23474	0.8
519.19916	0.6
529.22064	1.6
533.25433	14.8
534.25421	0.8
546.22540	0.9
561.24872	97.9
562.25372	5.2
589.24567	3.0
593.27576	4.0
621.26984	100.0
622.27368	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.58738	0.8
57.07058	0.9
63.21224	0.7
64.14926	0.8
68.71053	0.8
81.07050	2.3
87.04453	4.6
91.05457	0.9
93.07044	1.3
95.08586	0.9
105.06998	1.5
117.07005	1.1
119.08571	1.7
120.54029	0.8
121.06348	0.8
246.36162	0.9
375.15826	1.3
387.15930	1.5
388.16895	1.8
389.17465	4.6
390.18762	1.5
391.19333	0.9
401.18008	1.5
402.18600	1.7
403.19296	8.2
404.19888	2.8
405.20566	2.0
415.19742	1.1
416.16006	1.5
417.17044	4.7
417.20978	3.7
418.21463	1.2
419.22369	9.4
427.93512	0.9
430.17657	1.6
431.17990	8.1
432.19333	3.2
433.20175	3.0
445.20160	7.6
446.20779	4.8
447.21774	12.0
454.88235	0.8
459.17767	2.4
459.22583	2.2
461.19751	1.3
473.24109	1.4
474.20428	11.7
475.21182	16.2
475.27362	1.4
487.21255	5.5
488.21906	2.2
499.41302	1.0
501.22598	2.3
505.25974	2.3
518.23633	1.1
533.25342	12.4
534.26257	1.2
546.22797	1.1
561.24896	79.2
562.25098	6.0
589.24219	2.9
593.27411	3.4
621.26971	100.0
622.27521	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	621.2698
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.93914	0.2
54.18993	0.3
55.05499	0.3
56.54083	0.3
67.05489	0.8
79.05470	0.4
81.07050	0.7
82.66798	0.3
91.05469	0.6
93.07037	0.4
95.08609	0.6
106.06572	0.5
119.08631	0.4
121.65887	0.2
131.08525	0.3
145.10136	0.7
147.07869	0.3
197.10709	0.3
209.10759	0.3
221.10750	0.3
233.10704	0.5
260.75595	0.3
291.19736	0.3
312.14752	0.5
373.14563	0.7
374.15280	0.4
375.16095	0.7
387.16220	0.8
388.16855	1.4
389.17511	2.7
390.18393	1.1
391.19168	1.0
401.17532	0.8
402.18848	1.5
403.15338	0.6
403.19406	4.8
404.20026	2.5
405.20685	2.6
413.17944	0.4
415.14752	0.4
415.19312	1.0
416.15958	1.0
416.20093	1.0
417.17029	4.0
417.21011	2.9
418.17261	0.8
418.21542	1.1
419.22409	8.2
420.23001	0.9
429.16827	0.7
430.17276	1.3
431.17914	6.9
431.23315	1.3
432.18890	2.9
433.20032	2.3
443.18582	0.6
444.19376	0.8
445.20026	5.8
446.20953	6.6
447.21719	10.4
448.22556	0.5
459.17511	1.3
459.22018	2.0
460.18167	0.5
460.23483	0.4
461.19540	1.6
463.21741	0.3
473.19354	1.0
473.23798	1.3
474.20288	6.5
475.21204	8.8
477.22919	0.4
487.21170	3.5
488.22095	1.0
490.23221	0.5
491.20645	1.2
501.22833	2.4
502.23154	0.6
504.21597	0.4
505.27002	1.8
517.22418	0.3
518.23145	0.6
519.20538	0.4
529.22388	0.7
533.25452	16.0
534.25641	1.0
546.22693	0.5
561.24896	22.0
562.25299	1.4
565.27411	0.4
589.24451	1.2
593.27484	3.6
621.26978	100.0
622.27246	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	621.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.6
55.01853	15.8
55.05499	57.5
57.03423	16.1
60.39354	3.8
62.92446	3.9
65.03929	5.4
67.05489	76.4
68.05837	4.1
69.03407	25.5
69.07066	20.1
71.04979	8.3
71.70067	4.3
79.05479	55.0
81.03404	56.8
81.07034	62.4
83.04964	19.5
83.08610	22.5
85.02871	22.9
85.06518	4.1
89.29452	3.6
91.05457	59.7
93.07027	48.2
95.04941	19.5
95.08601	24.9
97.02870	19.3
97.06533	9.1
97.10160	38.2
98.93675	3.4
99.04439	7.7
103.05476	13.8
105.06998	38.5
107.04928	17.0
107.08569	28.5
109.02854	16.7
109.06505	8.1
109.10124	22.1
110.65020	3.5
111.04443	9.0
111.08042	5.7
115.05449	11.7
117.06990	50.6
119.08546	25.3
121.06498	10.6
121.10108	14.4
123.04417	5.9
123.08079	6.3
125.09607	39.3
127.03902	11.7
128.06218	8.2
129.06961	25.9
131.04881	9.5
131.08539	36.8
133.06464	9.2
133.10126	12.9
135.04323	6.4
135.08032	14.9
135.11667	15.5
139.03864	5.7
141.06944	15.1
142.07761	4.5
143.08514	15.2
145.06473	15.9
145.10074	18.3
145.77608	3.7
147.04420	4.8
147.07999	6.2
147.11693	6.1
149.09613	6.2
149.13243	5.2
153.06935	5.2
153.09074	5.7
154.07755	5.7
155.08527	16.4
157.10081	10.2
159.08086	9.6
159.11665	10.8
161.09552	4.4
163.11176	7.7
165.09096	4.7
165.12775	4.6
167.08534	7.4
169.04945	4.2
169.10089	11.2
171.08061	5.4
171.11505	7.0
173.04457	8.7
173.09592	6.7
173.11835	4.4
173.13277	5.0
185.13219	7.1
187.14810	9.3
189.11195	18.6
195.13698	9.1
197.13257	15.0
199.11101	6.0
207.11707	4.5
209.11728	12.3
213.12717	8.2
215.14253	52.6
225.12674	4.0
227.12668	21.6
233.15387	4.9
241.12193	5.4
269.17426	6.3
321.17010	4.3
339.23050	6.9
349.21509	11.1
367.22507	22.8
385.23544	27.5
403.24738	11.5
424.27551	6.1
441.26245	77.8
459.27332	100.0
477.28217	9.1
543.29755	4.2
567.28888	5.6
585.30365	6.6
603.31201	8.3
621.32397	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.6
53.03938	7.1
54.60598	0.9
55.01859	8.4
55.05502	20.2
57.03429	9.3
59.04991	1.0
61.02901	1.1
65.03925	4.1
67.05492	31.3
69.03047	1.2
69.03413	15.2
69.07050	8.6
70.06609	0.9
70.37275	1.8
70.37684	3.0
71.01322	1.0
71.04975	6.9
74.45223	0.8
77.07514	0.8
79.05479	29.5
81.03403	100.0
81.07041	30.1
83.04965	15.9
83.08609	19.6
85.02892	22.7
85.06526	3.0
85.66274	0.9
85.95515	1.0
91.05463	39.6
93.07026	22.0
93.07591	2.0
95.04951	37.6
95.08592	13.3
97.02878	15.6
97.06534	4.7
97.10158	7.7
98.21383	1.0
99.04433	3.3
99.08108	1.2
103.05436	1.7
105.07008	27.2
107.04932	11.4
107.08582	12.7
109.02869	19.3
109.06499	6.0
109.10134	5.7
111.04424	7.7
111.08060	9.6
113.05976	1.5
115.05454	3.6
117.06976	7.5
119.04929	2.9
119.08561	20.6
121.02837	1.2
121.06467	7.0
121.10123	9.2
123.04366	5.8
123.08060	3.3
123.11663	1.7
125.02338	4.3
125.05999	1.7
125.09603	4.9
127.03896	9.6
128.06216	3.2
129.05489	1.0
129.06976	14.1
131.04895	4.3
131.08542	13.8
133.06480	5.6
133.10115	9.0
135.08038	3.3
135.11684	3.9
137.05965	1.7
137.09624	2.6
141.06992	3.2
142.07765	3.0
143.08522	5.8
145.06429	4.7
145.10077	7.3
147.04401	4.0
147.08022	7.9
147.11671	14.3
149.05974	3.3
149.09604	6.7
151.07507	1.5
151.11153	1.4
153.09125	1.5
153.12743	1.7
155.08525	1.7
157.06470	2.1
157.10094	14.2
159.08029	1.8
159.11658	2.1
161.06004	3.3
161.09654	2.8
161.13168	1.0
163.03879	1.1
163.11172	7.1
164.07014	1.4
165.05489	1.2
165.06955	1.1
165.12733	4.1
167.08632	1.1
169.10129	1.7
171.07968	2.4
171.11690	2.3
173.04480	4.6
173.05942	3.1
173.09586	2.5
174.06673	1.1
175.07599	1.4
175.11162	11.3
177.09209	1.2
179.08475	0.9
181.12225	3.2
183.11739	1.3
185.05931	1.0
185.09509	1.0
185.13289	2.1
187.07529	1.9
187.11194	2.1
189.05409	2.5
189.09267	1.0
189.11206	3.5
189.12749	2.1
191.10602	5.2
193.12206	36.7
193.13982	1.9
194.87727	1.1
199.07570	1.7
201.12660	1.2
203.07082	1.0
205.12196	1.7
207.13797	1.6
211.07596	0.9
211.11366	1.4
211.13248	38.7
213.12729	1.4
217.12227	1.3
223.13181	1.5
227.12776	3.8
229.08571	1.2
231.13783	1.9
235.13412	2.8
237.12801	1.5
249.14955	2.9
255.13895	2.9
259.13245	1.9
261.14828	1.4
267.15839	8.7
271.13492	1.2
273.14874	9.1
277.14392	2.7
283.13000	2.0
285.17090	7.3
289.14331	2.2
291.15854	1.3
301.14249	13.2
303.16110	1.8
319.15359	8.2
337.16321	5.0
355.17496	3.1
357.16824	1.0
367.22549	2.8
375.18027	3.4
385.23834	3.4
393.19220	3.4
411.20215	3.3
441.26266	1.5
459.27341	5.2
465.26526	1.0
477.28543	4.0
495.29462	3.6
501.28308	1.3
539.29565	1.4
543.30011	1.3
567.29364	3.2
573.30640	1.9
585.30328	5.8
603.31458	6.9
604.31610	1.5
621.32629	45.4
622.33099	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65862	1.1
53.03922	2.8
53.96448	1.1
55.01861	2.7
55.05494	3.9
57.03422	1.7
57.07074	1.6
58.01984	1.0
61.02909	1.7
67.05492	8.4
69.03419	9.9
69.07056	7.1
71.04981	11.5
73.02886	1.9
77.89591	0.9
79.05482	4.5
81.03419	8.3
81.07040	20.5
83.04961	3.1
83.08601	2.9
85.02894	13.8
85.06545	1.6
87.00819	5.6
87.81124	1.1
91.05466	3.2
93.07024	13.4
95.04961	3.6
95.08583	16.6
97.02880	5.7
97.06500	2.6
97.10169	2.0
98.21444	3.9
99.04459	2.4
105.01842	1.7
105.06998	9.9
107.08579	17.8
109.02850	5.0
109.06470	2.8
109.10123	14.1
111.08027	1.4
117.07003	1.2
119.08552	11.8
121.06464	7.0
121.10110	15.3
123.08073	2.6
123.11707	11.6
127.03893	8.4
127.11198	1.5
129.07025	1.4
131.08553	3.5
132.26517	1.3
133.10103	10.5
135.08058	3.7
135.10631	1.6
135.11668	24.3
137.09554	2.9
137.13246	5.2
139.11147	2.4
141.12730	8.2
143.08562	3.1
145.04941	3.8
145.10080	9.2
146.80374	1.3
147.07982	1.4
147.11635	5.7
149.09612	4.9
149.13213	2.3
151.11121	1.9
153.12746	1.5
157.10127	5.7
159.02824	1.8
159.07993	2.0
159.11699	5.7
160.08887	1.4
161.09500	5.5
161.13199	2.0
163.11131	7.1
165.09105	1.5
165.12825	1.3
171.11649	2.8
173.09578	2.5
173.13165	2.2
175.11169	17.3
175.14801	2.4
177.12688	1.6
181.12169	1.5
185.13301	1.2
187.11143	1.5
187.14754	3.2
189.12743	2.5
189.16444	3.1
197.13141	2.8
199.14777	7.7
201.12685	2.5
201.16428	1.8
203.17946	1.9
205.15790	1.4
211.14778	2.2
215.14285	2.1
215.17969	1.8
217.15749	1.7
219.17351	1.8
229.15810	3.0
229.94418	1.1
229.96765	1.4
231.17273	1.4
233.18976	4.6
243.21101	1.2
247.16794	1.3
257.22729	1.2
261.22220	2.5
263.20126	2.5
267.21091	2.4
275.23694	3.3
285.22049	14.8
303.23123	100.0
304.23441	2.7
321.24197	53.6
339.25305	7.5
410.29306	1.3
569.29529	8.5
622.32288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
54.97835	1.8
55.01855	6.4
55.05500	10.9
55.87674	2.4
57.03424	5.0
57.07067	3.3
59.04977	2.6
61.02916	3.4
63.29356	2.0
64.07456	1.7
65.41716	1.9
67.05496	30.3
69.03408	19.8
69.07060	15.4
70.06574	2.6
71.04980	7.3
71.70049	3.5
73.02913	3.3
73.06648	2.0
75.55018	1.9
75.83444	1.8
79.05480	11.9
81.03407	21.7
81.07045	52.2
83.04960	4.6
83.08602	5.8
85.02888	27.0
85.06528	2.7
87.00800	13.4
91.05449	9.2
93.07025	20.5
95.04961	16.7
95.08594	45.4
97.02866	16.5
97.06503	8.0
97.10154	4.8
99.04427	5.6
100.11259	4.6
105.01870	6.7
105.07008	16.0
107.04937	2.7
107.08553	26.9
109.02874	10.9
109.06514	8.3
109.10136	96.4
110.10486	2.3
111.04386	3.8
111.08070	3.7
117.07016	3.1
119.08559	22.9
121.06464	4.9
121.10110	19.9
123.04478	2.0
123.08072	5.0
123.11688	23.7
125.09606	6.6
127.03878	20.0
127.11168	2.2
131.08571	7.8
133.10085	14.3
135.08031	4.9
135.11662	12.5
137.09573	10.9
137.13252	7.3
143.08577	3.4
145.04941	4.9
145.06497	2.4
145.10088	9.5
147.08118	2.5
147.11670	13.7
149.09628	2.8
149.13219	5.4
151.11189	6.4
153.12778	4.2
157.10129	5.5
159.02869	6.7
159.11684	7.2
161.09497	2.3
161.13280	4.3
163.11162	4.2
163.14836	3.2
165.09094	10.2
165.12727	4.5
168.13895	2.5
171.11670	2.5
173.09688	2.1
173.13257	5.3
175.11134	2.9
175.14830	11.6
177.09113	2.4
177.16400	3.6
179.10637	3.0
179.14233	2.1
182.15477	2.2
187.14813	2.7
193.15895	4.2
199.14795	2.9
201.16431	4.1
203.17950	2.6
210.14940	2.6
215.18071	2.3
243.20937	2.8
257.22687	4.9
267.21051	2.2
272.01633	1.7
275.23630	19.0
285.22131	6.7
293.24698	17.5
303.23126	49.6
321.24173	100.0
322.24692	3.7
339.25336	5.8
461.28949	6.8
569.29620	11.2
622.32813	6.7
622.48834	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	623.1592
Annotation	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03931	1.4
55.01863	0.4
55.05501	0.3
57.03414	0.6
61.02904	0.7
69.03416	4.8
70.72125	0.2
70.72498	0.7
71.04980	1.3
73.02905	1.2
79.05495	0.2
80.97549	0.2
81.02940	0.4
81.03399	5.7
82.04502	0.2
83.04955	0.3
85.02886	13.4
86.09688	0.2
87.04419	0.3
90.73278	0.2
91.05460	0.3
92.02616	0.5
93.03388	0.9
95.04966	0.3
97.02874	9.2
99.03784	0.4
99.04440	9.3
103.03922	9.6
107.08546	0.3
109.02860	5.5
109.10155	0.2
114.72974	0.2
115.03900	0.2
121.02884	1.2
121.10095	0.2
126.03146	0.2
127.03893	18.2
137.02335	0.4
139.03874	0.7
143.15253	0.2
145.04938	6.9
151.03879	1.2
153.01796	7.3
163.03857	0.4
163.05989	0.9
165.01805	0.8
166.08650	0.3
169.05014	0.2
172.28172	0.2
177.05391	0.2
186.01164	0.2
187.03600	0.2
187.05997	1.6
193.15765	0.2
199.05887	0.3
200.04497	0.3
201.05449	0.8
203.03255	0.6
217.04903	0.7
218.05742	0.6
219.03008	0.2
228.04123	1.2
229.04907	2.4
231.02864	0.5
243.06688	0.2
245.04388	1.0
246.05191	1.5
253.07281	0.3
257.04428	2.0
260.03033	0.3
261.07425	0.4
271.08084	0.8
273.03915	1.8
274.04663	3.9
277.00739	0.2
284.03094	0.5
285.03864	3.3
286.04523	0.2
288.06305	0.3
302.04172	11.8
314.04343	0.3
315.05200	0.3
317.06503	100.0
318.06857	2.4
329.06659	0.5
341.06512	0.5
359.07590	2.8
359.43884	0.2
383.07327	0.6
425.08328	0.7
443.09845	0.4
451.36926	0.2
571.27209	0.2
653.63068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01861	0.4
56.37999	0.2
57.03406	0.5
61.02901	0.7
67.05500	0.2
69.03416	4.1
70.06581	0.2
71.04984	1.0
73.02908	0.9
81.03396	4.9
81.07049	0.2
83.01355	0.2
83.04953	0.3
85.02886	10.0
86.09669	0.2
87.04443	0.3
91.03937	0.2
92.02614	0.8
93.03378	0.7
93.07017	0.2
95.04941	0.3
97.02876	7.4
99.04437	8.0
103.03926	7.8
108.63519	0.2
109.02859	4.2
111.00751	0.3
112.50185	0.1
115.03902	0.2
121.02854	1.1
126.03114	0.3
127.03893	13.9
128.04224	0.3
139.03873	0.2
145.04939	5.6
151.03929	1.1
153.01794	6.6
155.58519	0.2
163.03912	0.4
163.06006	0.8
165.01846	0.9
167.06946	0.2
169.04930	0.5
177.05562	0.3
183.02904	0.3
187.05994	1.7
200.04694	0.2
201.05417	0.8
203.03313	0.4
217.04947	0.8
218.05586	0.4
228.04120	1.3
229.04921	2.3
229.84694	0.2
231.02803	0.4
243.06436	0.2
245.04495	0.9
246.05159	1.7
256.03598	0.3
257.04407	1.7
260.03156	0.5
261.07404	0.3
271.08035	0.6
273.03918	1.5
274.04684	4.1
284.03088	0.5
285.03867	2.6
286.04593	0.3
302.04156	12.3
303.04547	0.6
313.07172	0.2
314.04022	0.3
316.05814	0.3
317.06500	100.0
318.06863	2.3
329.06494	0.4
341.06619	0.8
359.07614	2.7
383.07666	0.5
425.08575	0.7
443.09656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60958	1.0
69.34835	11.8
69.35253	2.3
69.36626	1.2
73.96483	1.1
78.17958	1.0
81.11249	1.1
98.21519	2.5
118.19013	1.0
147.25943	1.2
173.52759	1.2
378.18378	1.3
391.19119	2.6
392.19849	2.4
405.20645	2.0
406.21555	4.5
407.22324	9.3
419.22638	2.2
421.23895	6.4
435.21555	8.7
449.23413	6.4
450.24161	1.9
459.21738	1.6
462.20474	3.5
463.21204	13.6
477.22867	13.2
478.23508	1.7
503.24524	1.6
535.22955	2.1
545.25677	2.7
549.24872	5.0
550.25104	1.7
563.26270	2.4
564.27081	12.8
605.27209	2.2
623.28522	100.0
624.28882	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	623.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94215	4.4
70.88186	9.4
70.88536	7.4
71.20126	4.4
90.16497	4.7
97.73654	4.0
119.50845	4.3
139.72995	4.8
293.43710	4.8
407.22363	10.0
419.22098	5.4
421.23672	6.9
435.21548	13.8
449.23169	7.3
462.19852	4.5
463.21085	16.9
477.22784	20.4
484.89850	4.6
545.24957	6.2
549.25873	5.2
563.25867	6.9
564.26990	19.7
623.28534	100.0
628.06989	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	623.2853
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05504	1.6
57.92284	0.9
67.05474	1.2
69.07095	1.2
70.04475	5.1
79.05489	1.0
81.07046	1.1
91.05483	1.3
95.08584	1.5
98.31438	0.9
109.54076	1.1
117.06998	1.1
126.69559	0.9
170.73260	0.9
177.68422	0.9
184.72667	1.0
260.41251	0.9
271.16837	1.0
276.87503	0.8
374.16348	1.0
391.19516	1.0
399.15906	1.0
403.19632	1.5
404.20984	1.0
413.17624	1.1
414.18555	3.1
415.19324	4.6
416.19958	2.7
418.22156	1.1
419.22809	2.0
421.24426	1.1
427.19409	1.9
428.20090	1.9
429.16626	0.9
429.20883	9.9
430.21603	2.8
432.19043	1.4
433.24393	1.3
441.20819	1.4
443.22556	5.7
444.23914	4.6
445.19742	1.5
445.24402	1.7
447.22531	4.9
449.23209	2.0
457.19638	1.5
457.24612	1.3
458.25317	4.4
459.21381	9.6
460.22525	3.7
461.18637	1.5
461.23688	3.3
462.20389	4.7
471.22015	1.9
472.22729	6.2
472.29269	0.9
473.23636	5.6
474.24475	1.0
475.21393	3.4
476.21942	3.1
477.22742	9.0
485.23340	8.4
486.23871	2.9
487.25073	10.2
489.22842	2.9
503.24579	4.7
517.26465	4.5
518.23566	1.1
519.23895	1.2
520.24573	2.6
531.23566	6.9
545.25415	69.4
546.25604	3.0
548.24445	1.0
563.26410	33.8
564.26764	2.7
591.26068	2.8
605.27496	23.9
605.36414	0.8
613.12469	1.2
623.28510	100.0
624.28955	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82860	0.6
69.36182	7.1
111.99007	0.7
112.37743	0.6
125.59099	0.6
162.43994	0.7
209.10722	0.8
212.12994	0.7
223.12212	0.7
239.15404	1.0
366.19406	0.7
374.16125	1.0
375.16415	1.3
376.17108	1.5
377.17627	2.5
378.18567	2.0
379.19510	0.9
389.18301	2.0
390.18414	2.1
391.19077	6.5
392.20035	4.8
393.20602	2.6
399.15939	1.4
400.16788	2.2
401.17725	2.9
402.18466	1.4
403.19537	3.2
404.20508	2.3
405.20850	8.2
406.21417	6.2
407.22235	18.3
412.17734	1.0
413.17859	3.4
414.18362	4.3
415.19165	8.5
416.20285	1.9
417.21109	1.6
418.17331	1.2
419.17780	1.5
419.22244	3.4
420.23065	3.0
421.23810	15.3
422.24362	3.1
427.19223	4.3
428.20346	4.0
429.15643	1.2
429.20834	20.3
430.21786	3.8
431.17850	1.3
431.22760	1.9
432.19205	1.4
433.19882	2.5
433.24124	2.5
435.25977	0.9
441.21207	1.5
442.21759	3.5
443.22473	12.3
444.23465	6.7
445.19946	4.1
447.18024	2.8
449.22925	1.1
452.22040	0.8
455.18802	2.9
456.19498	2.2
457.23688	6.0
458.24979	10.1
459.21765	9.8
460.23038	3.2
461.18628	7.2
462.20462	3.1
463.21149	2.2
470.20932	2.0
471.22739	3.8
472.22894	7.3
473.23181	3.1
474.20456	2.1
475.20990	8.9
476.21475	6.7
477.22183	4.3
478.23483	1.2
483.18137	0.8
484.18738	1.6
485.23593	19.6
486.19772	2.3
486.24033	3.7
487.21240	2.9
488.22006	2.7
489.22769	4.7
490.23898	0.9
491.24002	0.9
493.25800	1.2
499.21219	6.7
500.21924	3.0
502.23856	1.4
503.24448	10.4
504.25290	0.9
508.27924	1.6
513.22693	4.7
514.23895	2.1
517.26117	11.0
519.24030	1.6
529.25848	2.7
531.23938	1.5
535.26929	6.0
545.25421	100.0
546.25989	3.4
563.26373	1.8
564.27130	2.4
573.24927	20.4
591.25989	2.1
605.27496	88.3
606.27881	2.8
623.28552	80.4
624.29028	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22314	0.4
63.45802	0.4
67.05492	0.6
71.63300	0.6
91.05426	0.5
128.57240	0.4
243.91049	0.5
275.15720	0.5
314.97461	0.4
330.05661	0.5
375.16333	0.9
376.17007	0.7
377.17767	1.1
388.17484	0.6
389.17896	0.6
390.18356	1.7
391.19211	1.8
396.04700	0.5
401.17633	0.5
403.15192	0.9
404.15680	0.7
404.20578	1.1
405.20831	4.0
407.22339	0.9
414.18433	0.7
415.19327	1.4
416.20377	0.7
417.21109	1.1
418.17813	1.3
419.18698	2.1
419.23251	1.0
420.23050	1.9
421.23846	1.1
429.20963	3.4
430.22079	0.8
433.19760	4.5
433.25620	0.7
435.21945	0.6
443.22330	2.1
444.23083	2.1
445.24493	0.9
446.17422	1.6
447.17807	10.3
448.22986	3.0
449.23776	3.5
452.22244	0.6
457.24417	0.8
458.24988	1.3
459.21307	3.5
460.22577	1.9
461.19186	9.5
462.20483	0.6
463.21280	1.7
471.22379	0.8
472.22647	1.5
473.23334	1.9
475.21313	2.4
476.21927	26.5
477.22650	4.2
479.20700	1.4
485.23517	2.6
486.24158	1.1
487.25620	2.3
489.18881	1.3
503.24335	1.8
513.22559	0.7
519.23907	2.0
521.21240	0.8
531.23767	2.8
545.25421	12.9
546.26202	1.3
547.26685	0.8
563.26538	8.9
564.26855	0.8
591.25354	0.9
605.27594	2.7
623.28534	100.0
624.29187	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	623.2851
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
55.05456	0.6
57.03408	0.6
67.05444	0.9
69.90067	1.1
69.90503	1.8
79.05411	1.5
79.37496	0.4
81.06987	1.0
85.77907	0.4
91.05451	0.8
93.06959	1.2
95.08559	0.9
98.21378	0.7
105.06945	1.2
107.08508	1.1
117.06956	0.6
119.08507	0.9
120.73209	0.4
129.06923	0.5
133.10007	0.6
144.07979	0.4
145.10005	0.8
183.09081	0.5
389.17664	0.8
390.18777	0.6
391.18613	1.0
399.15912	0.5
401.17401	0.7
402.18796	0.7
403.19199	1.2
404.20026	1.0
405.20428	0.7
413.17715	1.0
414.18097	1.5
415.19073	2.0
416.20166	1.0
417.20831	0.9
418.17160	0.5
419.17273	0.6
419.21896	1.6
421.22989	0.8
427.19016	0.9
428.19907	1.6
429.20801	6.1
430.21594	1.7
431.18735	1.4
433.19476	0.9
433.24036	1.3
435.21390	0.5
442.21658	0.6
443.22726	3.9
444.23648	3.9
445.24078	1.5
446.20654	0.9
447.22470	3.0
448.22284	1.4
449.23145	3.2
455.18546	0.6
456.19550	0.7
457.18878	0.7
457.23889	2.0
458.24957	5.1
459.21472	5.7
460.22537	4.6
461.18951	2.0
461.23572	2.6
462.20248	3.4
463.21082	0.6
470.21130	0.6
471.21808	2.0
472.22635	7.7
473.23834	4.6
474.19894	0.8
475.20273	3.1
476.21671	5.2
477.22568	7.3
485.23282	10.7
486.24228	3.2
487.25098	6.5
488.21695	0.7
489.22427	2.4
490.23328	1.0
502.23462	0.9
503.24493	5.2
504.24832	1.1
507.25967	0.8
513.22852	0.8
517.26166	7.3
519.24402	2.0
520.24316	1.6
521.21979	1.7
531.23822	7.9
532.24805	0.8
535.26563	2.4
545.25403	76.8
546.25745	3.6
548.23883	1.1
549.24664	0.6
561.25439	0.5
562.25159	1.5
563.26129	27.2
564.26868	1.1
577.27850	0.8
591.24866	0.7
595.28864	0.8
605.27600	5.8
605.41241	0.5
623.28461	100.0
624.28833	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.6
57.03426	0.6
65.40514	0.5
67.05486	1.8
67.17679	0.4
69.07054	0.9
69.99346	2.8
77.43253	0.4
79.05490	2.0
81.07035	2.1
83.04985	0.5
83.08621	0.6
83.45132	0.4
91.05460	1.8
93.07037	1.9
95.08601	1.6
97.06528	0.8
102.09634	0.5
105.07025	1.1
105.78979	0.4
107.08521	0.6
117.07034	0.6
119.08561	1.1
145.10092	0.6
145.91286	0.5
147.11600	0.5
155.59247	0.4
157.10129	0.5
159.11601	0.6
183.11694	0.5
188.84636	0.5
197.27542	0.5
220.99237	0.5
221.10855	0.6
225.10228	0.5
251.11684	0.5
275.20081	1.5
289.17902	0.9
301.29523	0.7
377.17645	0.9
389.17752	1.2
390.18478	0.9
391.19339	1.6
401.17969	0.6
402.18988	0.6
403.19241	1.4
404.20273	0.9
405.21182	2.5
406.21481	0.9
417.16843	1.3
417.21548	0.9
418.17300	0.9
418.22147	0.6
419.17502	2.3
419.22537	2.2
421.23883	2.1
429.16907	1.0
430.17871	0.7
431.18732	2.0
432.19467	1.5
433.19855	2.9
434.20963	1.5
435.21909	1.6
443.18619	0.9
444.19351	1.1
445.19812	2.3
446.21268	2.3
447.22534	4.1
448.22641	1.8
449.23376	5.7
450.24423	0.6
457.19962	0.6
458.21115	1.7
459.21890	2.6
460.23102	0.8
461.18835	2.7
462.20038	1.0
463.21219	1.6
475.20721	2.2
476.21902	5.4
477.22922	4.6
479.23956	0.6
489.23093	2.9
490.23849	0.7
503.24246	1.6
519.23853	1.2
521.21844	0.8
533.25647	2.8
535.27533	4.4
545.25500	1.7
563.26477	18.7
564.26880	0.6
591.25970	1.0
605.27271	2.3
606.28192	1.8
623.28552	100.0
624.28809	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90567	0.5
55.05505	0.8
57.39843	0.3
67.05491	1.0
69.07069	0.7
70.02857	2.1
79.05463	1.0
81.07034	1.1
88.57107	0.4
91.05475	1.3
93.07025	1.4
95.08598	0.9
96.59827	0.4
98.21342	0.5
105.07049	0.9
107.08592	0.5
116.81904	0.3
117.07005	0.6
119.08559	0.9
131.08595	0.7
145.06424	0.5
145.10107	0.5
147.11716	0.4
159.08098	0.4
271.17102	0.7
351.89627	0.4
374.14948	0.4
375.16031	0.9
388.16776	0.4
389.17636	3.9
390.18314	1.8
391.18985	3.3
392.19601	0.7
402.18344	0.7
403.19412	3.1
404.19754	1.8
405.20731	9.6
406.21341	1.2
415.19000	0.6
416.20251	1.0
417.16281	5.8
417.21164	2.1
418.17261	3.6
419.18301	3.8
431.18240	7.1
432.19263	7.6
433.20056	11.1
434.21182	0.5
435.21906	0.7
443.18521	1.1
444.19339	0.5
445.20410	3.1
446.21204	1.4
449.23599	1.8
458.21460	0.6
459.21735	2.1
460.21927	0.4
461.19229	2.4
462.20444	1.4
463.21216	1.8
464.21841	0.6
475.20963	1.7
476.21988	5.2
477.23438	5.4
487.21344	0.7
489.22906	1.4
490.23584	0.7
491.24948	1.8
503.24240	0.6
505.22479	0.6
519.23853	24.1
520.24072	1.4
521.21826	0.7
535.27094	0.8
547.22986	0.9
551.26904	0.5
563.26422	15.8
564.26904	1.3
579.25885	5.9
580.26257	0.6
591.25256	0.6
605.26563	0.5
623.28528	100.0
624.28925	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.8
69.46569	4.7
78.57093	0.4
79.05486	1.0
81.07060	0.5
83.69070	0.4
91.05455	1.0
93.07044	0.8
94.15859	0.5
95.08612	0.6
119.08550	0.6
134.76797	0.5
145.10143	0.6
147.92796	0.4
185.52118	0.4
194.13037	0.5
389.17560	0.9
390.18640	0.8
391.19058	1.4
393.20691	0.5
401.17639	1.0
402.18988	0.8
403.19189	1.6
404.19931	1.2
405.20895	1.7
407.22504	0.8
415.19324	1.4
416.20090	1.3
417.16565	1.0
417.21307	0.9
418.17593	0.9
419.22821	3.2
420.23355	1.1
429.16751	0.8
429.21613	0.7
430.17429	1.2
430.22394	0.6
431.17798	2.2
432.19080	1.5
433.20105	4.9
434.20612	0.6
443.18677	1.8
444.19537	1.3
445.19620	5.0
446.20966	2.8
447.21848	5.1
448.22809	1.0
449.23431	0.8
458.20905	5.7
459.21741	5.4
460.23090	2.9
461.19443	0.9
462.20410	1.1
463.21362	1.4
473.23315	1.4
475.20779	1.0
476.22278	1.2
477.22644	2.5
486.24362	0.6
504.25031	0.7
505.22568	1.7
517.22290	1.5
518.22852	3.9
521.22174	1.5
531.23938	0.8
532.25366	1.1
533.25507	7.7
535.25977	1.3
545.25464	3.2
546.25916	0.8
563.26312	9.3
573.25098	0.7
577.27380	0.5
605.27466	9.2
623.28522	100.0
624.28796	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
55.05507	6.4
55.61065	1.1
56.56234	0.9
57.03426	1.1
57.07075	1.4
58.64681	0.9
63.47853	1.0
67.05484	10.0
69.07040	5.7
79.05482	8.8
81.03394	2.0
81.07038	14.3
82.47314	0.9
83.04967	2.0
83.08610	2.6
91.05463	12.5
93.07028	9.3
95.04960	2.5
95.08569	6.6
96.49957	1.0
97.06481	1.7
105.07024	8.7
107.04926	1.4
107.08591	6.1
109.06515	2.0
109.10130	4.5
117.06990	4.4
119.08583	7.7
121.06426	1.6
121.10133	3.4
125.06102	1.1
125.09625	1.2
125.55523	1.1
129.06998	3.3
131.08533	5.6
133.10071	4.5
135.08038	2.0
135.11655	1.9
141.06967	1.8
143.08542	3.8
143.67807	1.3
145.06340	2.1
145.10097	4.1
147.11604	2.3
155.08540	1.8
157.10081	3.1
159.08032	1.8
159.11700	2.2
169.10094	2.8
171.11603	2.8
173.13243	1.6
181.10019	1.8
183.11717	2.8
185.13202	1.6
195.11664	1.4
197.13243	2.4
209.10696	3.0
209.13179	1.3
215.14352	1.4
223.12161	2.6
223.14781	1.1
224.13002	2.6
237.10240	1.8
237.13925	1.4
237.16515	1.4
239.15364	1.6
251.11859	1.3
271.16910	4.0
275.20062	4.7
289.17761	1.9
311.13916	1.6
403.19083	1.6
417.16748	1.8
430.17371	1.5
431.18591	4.4
432.19717	1.6
433.20282	1.8
445.20135	3.9
446.20789	2.9
447.22195	1.5
449.23306	3.0
461.19431	3.2
462.20087	1.3
463.21100	2.1
475.21249	1.6
476.21796	5.5
477.22836	7.2
489.22598	3.3
531.37732	2.3
533.25055	1.3
535.26465	3.4
545.24896	1.4
548.23682	2.0
549.39056	1.7
563.26459	31.1
564.26935	1.7
591.25757	3.1
595.28473	1.4
605.42224	5.1
623.28241	100.0
623.43188	17.5
624.28577	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01855	6.2
55.05503	23.1
57.03411	7.8
61.02916	30.5
65.03923	1.9
67.05494	41.3
67.25464	1.7
69.03427	10.4
69.07060	14.0
69.39165	18.2
71.04982	3.1
72.40723	1.7
73.02905	9.8
78.81861	1.7
79.05482	40.6
81.03392	6.1
81.07042	36.8
83.04956	5.3
83.08601	11.5
85.02888	22.7
85.06514	2.0
88.79266	1.7
91.03928	13.2
91.05466	42.0
93.07031	33.3
95.04948	6.6
95.08586	20.3
97.02882	18.5
97.06503	6.1
97.10158	3.8
99.04420	2.3
103.05431	2.7
104.71884	1.8
105.07015	36.9
107.04928	8.1
107.08562	13.0
109.06494	5.3
109.10133	9.4
111.08043	4.5
115.05434	5.1
117.07003	31.9
119.08546	19.1
121.06471	7.3
121.10117	8.8
123.08042	5.1
125.09566	3.4
127.03876	4.3
128.06227	10.0
129.06985	33.5
130.07794	2.5
131.07651	3.0
131.08559	37.9
131.46996	1.9
133.06476	5.8
133.10100	13.8
135.08020	7.4
135.11665	4.5
141.06970	16.3
142.07751	2.7
143.08537	29.4
145.04974	2.9
145.06436	6.3
145.10118	20.1
147.07974	4.8
147.11664	7.1
149.09639	6.2
149.13246	2.6
155.08524	27.1
157.06424	2.4
157.10089	18.5
159.08037	5.5
159.11668	15.5
161.09576	4.1
161.13232	4.4
163.11176	3.6
165.06953	4.8
166.07716	2.3
167.08577	12.4
169.10132	18.0
171.08002	5.4
171.11641	11.1
173.09631	2.0
173.13223	3.3
175.11255	3.6
179.08540	5.6
181.10103	11.3
182.10907	4.1
183.11671	8.2
185.09613	5.2
185.13141	9.3
187.11168	5.9
187.14818	3.4
189.16267	2.4
192.09145	2.0
193.10080	4.5
195.11722	13.4
197.09537	2.4
197.13234	7.4
199.14867	3.3
201.12677	3.6
201.16321	1.9
203.14317	2.9
205.10112	2.4
207.11722	6.3
209.13246	9.5
211.14810	5.7
213.12738	5.2
213.16307	2.3
215.14328	6.8
221.13271	9.2
223.14709	5.3
225.12761	3.1
225.16409	3.8
227.14325	3.8
233.15308	2.3
235.14792	6.7
239.14189	5.3
241.15883	3.5
243.17439	2.7
247.14775	3.8
253.15845	4.9
257.15271	4.5
259.16931	2.4
267.17526	2.6
271.05695	2.1
271.16882	4.6
271.68506	2.0
275.16461	2.9
285.18414	2.1
289.17847	2.3
314.93073	2.0
315.21005	3.4
323.23611	7.8
333.22028	14.3
341.24554	6.7
351.23114	57.2
352.23669	2.5
369.19846	2.9
369.24240	36.7
387.25281	15.3
425.26721	7.3
443.27856	100.0
444.28119	5.9
461.28967	63.3
462.29196	4.0
464.46121	2.1
513.52905	1.8
536.25342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.9
51.02381	0.8
53.03942	5.5
55.01864	7.8
55.05501	20.2
57.03428	15.5
57.07063	3.0
58.84448	0.8
61.99442	0.7
65.03932	6.1
67.05492	76.4
68.43634	0.8
69.03403	2.7
69.04832	0.9
69.07056	17.4
71.04977	3.5
77.03898	1.4
79.05477	47.0
81.03403	11.9
81.07040	49.8
83.04959	5.8
83.08593	7.8
85.06525	10.8
86.09708	1.4
91.05460	56.8
93.07026	45.5
95.01317	4.8
95.04949	58.7
95.08584	36.1
96.19537	1.0
97.06512	8.0
97.10161	3.8
99.08091	2.3
103.05453	2.4
104.10718	4.3
105.04527	1.8
105.07009	49.2
107.04934	13.4
107.08572	23.6
109.02819	0.9
109.06497	41.1
109.10139	10.9
111.08083	3.7
113.05982	22.4
113.06721	1.6
113.09599	1.0
115.05428	5.0
116.06203	1.4
117.06995	27.9
117.07787	1.5
119.04908	1.8
119.08559	31.6
121.06475	7.7
121.10114	13.6
123.04442	1.4
123.08041	7.7
123.11720	1.8
125.05969	0.9
125.09620	3.3
128.06203	5.3
129.06990	15.9
130.07776	1.8
131.04941	0.8
131.08536	36.4
133.06482	4.9
133.10101	25.5
135.08023	21.6
135.11670	12.0
137.05946	1.6
137.09618	2.5
141.06966	6.5
142.07771	3.7
143.08536	20.2
143.09631	1.5
144.09293	1.8
145.06454	5.5
145.10086	26.0
147.08015	5.4
147.11665	13.3
148.09344	0.8
149.09596	6.4
149.13229	5.7
151.11194	1.2
153.06987	2.2
154.07784	1.7
155.08531	10.0
156.09373	1.8
156.58554	0.9
157.06396	1.7
157.10097	15.3
159.08038	4.0
159.11665	19.1
161.05978	1.4
161.09587	7.7
161.13240	8.0
163.11214	4.2
163.14819	1.1
165.06982	2.5
165.12785	1.1
166.07835	0.9
167.08525	4.5
168.09303	1.2
169.10124	10.9
171.08099	1.2
171.11658	16.2
172.08846	1.2
173.09627	3.8
173.13229	10.7
175.11214	3.4
175.14830	2.3
177.12782	4.5
179.08562	2.9
179.14330	1.4
180.09355	0.8
181.10071	7.8
182.10989	1.2
183.08067	1.5
183.11649	9.4
185.09601	2.7
185.13202	9.9
187.11183	7.0
187.14818	5.1
189.12770	2.7
189.16266	1.6
193.10165	3.3
195.11700	5.8
195.13800	2.5
197.09639	1.5
197.13199	7.6
199.11169	2.6
199.14780	4.6
201.12738	2.5
201.16403	3.4
203.14372	1.4
204.15302	0.9
205.10204	1.7
205.12126	1.3
206.10919	1.0
207.11758	4.4
207.13586	1.1
209.13210	5.4
211.14859	3.5
213.12706	1.9
213.16362	2.4
215.14384	1.5
215.17993	2.6
216.97789	1.9
217.15848	6.7
219.11821	1.9
219.13797	1.4
221.13268	3.0
222.13843	1.0
223.14836	2.9
225.12750	1.0
225.16440	1.7
227.18008	2.8
229.19507	1.5
229.84117	0.9
233.13240	1.3
233.15356	1.5
235.14873	2.3
237.16454	1.7
239.14320	1.3
239.18001	3.1
241.14349	3.1
241.19415	4.7
243.17552	1.6
245.18950	2.0
247.14938	1.1
251.18048	1.3
255.17482	2.3
257.18890	4.8
259.20541	7.0
263.17798	1.1
265.19635	1.1
271.13425	2.2
271.16809	1.9
272.41193	1.0
273.18448	25.8
275.20032	6.7
277.21716	1.2
279.15793	8.6
283.20691	1.2
291.19479	31.3
297.17044	1.0
297.22067	1.7
300.58130	0.9
309.22134	1.0
311.23532	1.4
313.21561	1.2
315.23196	4.0
323.23553	1.6
325.25110	2.0
327.23447	1.1
327.26773	4.8
331.22763	1.0
333.24338	6.2
339.22885	1.3
347.22012	10.2
353.24567	1.4
363.89990	0.9
365.23721	2.2
367.26007	1.0
421.30731	1.2
485.37769	0.9
495.35794	1.2
511.37375	0.9
513.37195	3.7
527.37323	1.3
531.38239	6.9
549.39313	4.7
551.37872	1.6
565.38873	1.2
567.40265	3.8
587.40424	1.0
595.43683	1.5
597.37939	1.0
599.36481	1.0
605.41943	19.3
623.42969	100.0
624.43176	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	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.4
53.00264	1.3
53.03931	4.4
53.79996	1.3
55.01867	15.4
55.05239	2.0
55.05503	39.6
55.08324	1.2
57.03417	4.7
57.07056	3.1
59.05668	1.3
64.86054	1.4
65.03924	3.3
65.94565	1.5
67.05138	2.9
67.05492	56.3
69.03410	4.5
69.07051	25.8
69.94083	7.5
71.04965	3.6
79.05482	45.8
81.03394	4.3
81.07043	47.0
82.48927	1.3
83.04977	7.3
83.08601	17.1
85.06510	3.1
91.04921	2.8
91.05466	46.8
92.07909	1.4
93.07030	36.7
95.01299	1.6
95.04965	11.2
95.08589	35.7
96.72636	1.7
97.06520	14.3
97.10152	23.0
98.20763	1.9
99.08089	1.8
103.05474	1.7
105.07011	40.6
107.04953	9.7
107.08581	25.7
109.06514	7.4
109.07143	1.5
109.10134	18.3
111.08044	4.0
113.09672	1.7
113.58144	1.5
115.05440	3.6
117.06989	25.9
119.08560	28.3
121.06503	3.2
121.10109	11.8
123.08038	3.9
123.11674	4.9
125.09618	15.2
128.06189	4.9
129.06975	19.0
131.08545	28.3
133.06474	3.8
133.10114	23.2
135.08025	5.3
135.11679	7.2
137.09558	2.8
141.06979	7.1
142.07784	3.4
143.08514	18.2
145.06480	2.5
145.10095	21.7
147.08023	2.5
147.11662	14.2
147.82382	1.4
149.09601	5.4
149.13220	4.0
151.11115	1.6
153.06950	1.7
154.07750	2.5
155.08513	16.4
156.09322	1.8
157.10109	14.4
159.08038	4.2
159.11656	20.4
161.09598	2.6
161.13234	4.5
163.11134	5.9
165.06987	1.9
165.09154	2.5
167.08537	6.4
169.10089	16.7
170.10849	1.4
171.11656	12.0
173.09526	3.3
173.11864	2.3
173.13213	7.4
175.11119	2.1
175.14819	1.7
177.12801	2.1
179.08467	4.1
179.14325	6.9
180.09204	1.8
181.10063	7.0
182.10849	1.9
183.08040	2.0
183.11671	14.3
185.09492	2.0
185.13188	7.9
187.11090	3.2
187.14796	3.3
189.11177	9.4
189.12679	1.8
193.10107	3.4
195.11632	5.6
197.13242	9.8
199.14757	4.2
201.12740	2.1
201.16316	1.7
205.10240	1.9
205.12050	2.0
207.11678	4.4
209.13237	5.6
211.11037	1.7
211.14824	6.2
213.16324	2.5
217.15793	1.4
219.17471	4.6
221.13216	3.5
223.14865	4.9
225.16316	4.3
227.12726	6.0
235.14819	3.5
237.16231	3.8
239.17967	5.9
247.14726	2.1
249.16400	1.9
251.18004	2.0
257.19012	9.2
265.19382	2.1
271.16779	1.8
273.18481	4.0
275.20044	27.5
277.19528	2.0
291.19440	12.2
299.23685	5.1
309.21902	2.0
315.23343	2.2
331.22498	3.5
349.23672	2.0
363.26663	1.9
377.28387	1.8
379.29968	5.7
405.26746	2.2
419.22372	3.0
431.18365	2.4
433.30905	3.1
445.20123	4.0
446.20724	4.2
447.22345	3.0
451.32336	2.3
463.21051	2.1
469.33163	2.2
476.21814	4.5
477.22614	6.1
513.36981	2.5
521.21643	1.7
525.35651	28.6
531.37988	4.9
533.24945	7.1
534.24823	1.8
535.22986	2.5
541.34680	1.7
549.39313	3.3
554.35608	1.8
563.26599	18.0
563.35681	1.9
564.26709	1.5
567.40009	3.0
593.27045	2.7
594.24719	5.1
605.41913	15.9
623.28204	75.8
623.42688	100.0
624.28949	11.5
624.43134	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.2
55.01859	8.8
55.05500	48.4
57.03425	3.9
57.07047	3.8
67.05491	60.6
69.03433	5.0
69.07053	25.2
71.04976	4.5
71.69241	3.3
71.69689	4.6
78.75195	3.2
79.05479	55.4
81.03380	4.8
81.07042	54.7
83.04962	6.7
83.08601	17.9
85.06522	3.8
86.91812	3.1
91.05461	46.2
93.07028	38.5
93.77501	2.9
95.04932	9.5
95.08586	30.6
97.06517	7.5
97.10154	27.7
98.21088	3.2
105.07011	33.3
107.04922	5.8
107.08567	28.8
109.06487	5.4
109.10127	17.8
113.00056	3.2
115.05424	3.4
117.06995	24.1
119.08561	32.6
121.06442	3.6
121.10110	16.5
123.07989	3.5
123.11689	5.9
125.09614	23.6
128.06177	8.9
129.06981	27.5
131.08548	25.9
133.10110	19.6
135.08058	3.5
135.11682	4.3
141.06953	11.9
142.07736	9.6
143.08534	23.6
145.06493	7.1
145.10089	19.5
147.07980	4.3
147.11656	7.6
149.09578	6.1
153.07014	5.4
154.07715	4.2
155.08530	19.7
157.10091	20.4
159.07997	6.5
159.11670	12.3
161.13225	6.3
165.06979	3.4
167.08562	11.1
168.09219	3.8
169.10080	22.4
171.10242	4.5
171.11613	16.9
173.09618	3.3
173.13242	7.6
179.08524	4.7
181.10034	13.7
183.08072	2.8
183.11702	18.5
185.13181	11.4
187.14732	3.0
189.11200	11.7
193.10153	5.1
195.11668	12.3
197.13269	13.8
199.14656	3.3
200.86884	3.2
201.16318	3.6
207.11607	6.0
209.13202	13.6
211.14828	8.3
213.16351	5.9
221.13297	4.2
223.14853	5.9
227.12721	14.2
229.79062	3.4
235.14740	3.9
237.63016	2.9
239.17882	8.4
271.16919	6.5
275.20062	4.6
291.19498	10.3
295.20444	3.2
309.21808	4.3
352.86102	3.2
363.26703	3.9
379.30038	9.3
419.18484	5.9
433.20129	11.9
434.20389	10.0
435.21753	8.3
448.22086	4.9
449.22800	3.9
476.21497	17.1
477.22583	8.7
508.26053	3.2
511.37970	5.4
513.37109	5.5
521.25348	7.9
531.38403	7.1
536.23901	7.6
563.26300	24.6
564.26227	6.5
605.41821	22.1
623.28003	99.8
623.42725	100.0
624.28400	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	623.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75046	1.4
53.03945	12.3
55.01863	23.6
55.05500	41.0
57.03428	9.5
57.07066	5.0
65.03925	9.8
67.05491	92.9
69.03423	4.2
69.07052	47.9
69.43223	15.5
71.04980	6.7
77.03905	1.7
79.05477	86.2
81.03401	10.3
81.07043	93.2
81.95486	1.6
83.04965	37.2
83.08598	15.6
85.06539	3.9
91.05461	97.2
93.07027	71.8
95.01305	8.9
95.04949	52.4
95.08582	57.5
97.06508	41.8
97.07089	2.6
97.10168	7.9
98.21458	3.3
99.08109	3.9
103.05441	5.0
105.07008	97.4
106.07354	1.9
107.04935	28.7
107.07825	2.6
107.08568	50.6
109.06503	22.5
109.10139	21.0
111.08073	6.5
113.09639	2.5
115.05439	5.6
117.06988	36.2
119.08553	57.9
121.06449	9.1
121.10120	18.5
123.04446	2.1
123.08044	8.3
123.11697	4.7
125.09637	7.7
128.06215	6.9
129.06976	20.1
130.07759	2.8
131.08542	56.8
133.06485	5.3
133.10097	52.3
135.08011	11.3
135.11665	14.4
137.09644	4.2
139.07526	3.3
141.06984	7.5
142.07745	3.7
143.08536	20.6
145.06482	4.5
145.10089	39.1
147.08038	6.9
147.11652	27.3
149.09583	15.1
149.13261	5.3
151.11188	2.3
154.07715	2.1
155.08533	11.6
156.09363	2.2
157.06573	2.0
157.10085	19.5
159.08040	5.4
159.11667	27.4
161.09644	6.4
161.13197	11.8
163.11163	16.2
163.14830	2.4
165.06972	2.8
166.07758	2.2
167.08501	8.3
168.09387	2.8
169.10094	16.1
171.11624	15.3
173.09531	3.3
173.13235	14.6
175.11223	5.4
175.14809	3.1
177.12790	7.7
179.08429	2.0
179.14264	14.6
180.09293	2.6
181.10027	9.1
183.11681	11.4
185.09654	4.3
185.13274	13.7
187.11179	4.7
187.14827	5.2
189.11203	2.0
189.12703	3.8
193.10162	3.5
195.11592	8.7
195.13876	1.9
197.09590	3.1
197.13155	9.8
199.11240	4.0
199.14879	5.6
201.12840	2.3
201.16376	4.3
203.14328	2.3
205.12201	2.6
207.11732	4.5
209.13316	5.5
211.11253	2.3
211.14923	4.1
211.17294	1.9
213.12834	2.0
213.16408	3.9
215.14337	2.4
215.17963	2.1
219.17413	3.4
221.13277	5.3
223.14894	4.0
225.12782	2.9
225.16415	2.8
227.14273	2.3
229.19458	4.3
231.17416	2.5
233.13264	4.0
233.15356	2.8
235.14871	4.7
237.12769	1.8
237.16400	6.0
239.17966	6.1
241.14336	2.4
241.19585	2.8
245.18994	2.6
247.20528	2.4
255.17421	2.7
257.18933	17.0
259.20618	6.0
265.19608	1.7
271.06030	5.5
273.18497	12.1
275.20010	89.9
279.15921	3.7
291.19513	4.3
293.21170	5.3
315.23157	2.4
323.23441	2.7
327.26968	2.7
331.22607	2.7
333.24350	2.6
347.22269	5.8
349.23679	4.5
358.87634	1.9
365.24112	2.1
419.29227	2.2
483.34470	1.9
513.36591	6.9
531.37891	9.1
549.39362	7.8
595.44452	3.7
605.41913	32.5
623.26941	3.6
623.42999	100.0
624.43732	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11456	1.2
53.03940	6.9
55.01865	40.8
55.05505	17.9
57.03416	3.1
57.07059	1.5
57.49582	1.1
59.09860	1.2
65.03916	4.3
66.33342	1.1
67.05495	43.5
69.03415	2.6
69.06689	2.3
69.07058	39.8
71.04969	2.4
79.05482	39.4
81.03410	7.6
81.07043	52.0
83.04961	8.3
83.08599	5.5
85.06531	2.1
90.03840	1.1
91.05464	58.6
92.94093	1.2
93.07030	36.5
95.01313	12.9
95.04951	14.5
95.08587	33.1
97.06516	68.6
97.10143	1.6
103.05403	3.3
105.07015	73.0
107.04938	28.6
107.08575	19.5
109.06482	5.1
109.10136	8.1
111.04382	1.5
111.08065	2.7
115.05405	2.1
116.06323	1.4
117.06992	14.2
119.08559	35.9
121.06488	4.5
121.10106	8.2
123.04404	4.0
123.08041	3.5
123.11655	2.7
125.00227	1.3
125.09615	3.8
128.06172	1.6
129.07010	2.7
130.07744	1.6
131.08548	21.5
131.43695	1.2
133.06406	1.1
133.10109	36.0
135.08028	5.3
135.11662	8.8
137.09589	4.1
139.07483	4.1
141.06972	2.5
143.08533	4.9
144.67744	1.2
145.06441	1.4
145.10110	17.4
147.07948	2.4
147.11673	15.8
149.09595	8.8
149.13225	4.6
151.11243	1.4
155.08482	3.4
157.10144	4.4
159.11678	12.0
161.13235	5.2
163.11157	5.2
164.03763	1.2
165.09045	3.5
169.10091	2.1
171.11572	3.4
173.09689	1.6
173.13249	3.8
175.11086	1.6
177.12746	4.5
179.14291	20.5
183.11726	3.7
187.11176	3.0
187.14853	1.6
197.13249	2.4
201.12769	1.3
205.09737	1.2
215.14410	1.8
215.17947	1.6
219.17433	2.2
229.19402	3.9
239.17859	2.6
247.20564	6.8
257.19006	7.5
271.16840	1.5
275.20016	100.0
293.21024	5.3
349.23648	2.8
449.23056	1.5
535.27069	1.6
563.26074	4.7
623.28369	11.8
623.43140	27.3
624.28546	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	624.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
54.34534	2.2
54.92373	2.5
55.01868	4.3
55.05502	10.5
57.03426	4.1
57.07067	6.0
57.71518	2.5
58.99152	2.4
59.04985	4.5
67.05502	22.2
69.03414	17.5
69.07056	26.0
69.40256	10.2
69.40677	17.3
70.06580	5.0
71.04968	17.9
71.08626	2.6
79.05491	12.8
81.03398	13.3
81.07045	100.0
82.07371	3.2
83.04961	5.0
83.08598	7.2
85.02895	22.8
85.06531	5.4
87.00807	9.0
91.05469	15.6
93.07030	71.8
94.07388	3.1
95.04355	2.1
95.04948	64.7
95.08588	75.9
97.02882	9.5
97.06520	5.7
97.10138	4.5
99.04415	4.0
99.08094	4.4
105.01849	4.4
105.07015	27.2
107.04951	35.1
107.08567	31.1
109.02861	8.8
109.06497	11.4
109.10128	36.9
110.10461	2.5
111.08072	6.7
111.11688	5.2
117.07040	2.8
119.08578	20.6
121.06505	3.3
121.10115	30.9
123.08070	5.1
123.11687	44.0
125.09625	5.5
127.03920	10.9
127.11165	7.7
129.07025	2.6
131.08557	8.8
133.10117	10.3
135.08058	2.6
135.11679	18.6
137.09621	6.6
137.13231	62.4
139.11154	6.1
145.04883	3.5
145.10112	10.5
147.04401	3.7
147.11673	33.3
149.13243	9.3
153.12701	6.8
157.10106	8.7
159.11696	19.3
161.09692	4.8
161.13199	13.9
163.14799	3.5
165.12787	16.7
166.01791	2.4
167.07021	8.4
169.12138	3.1
171.11667	8.6
173.13211	11.3
175.14807	8.4
177.16344	3.1
181.12270	2.9
183.13744	8.0
185.13361	3.2
187.14835	5.1
189.16342	6.9
191.17857	3.0
193.52104	2.7
195.17522	2.9
199.14758	7.7
201.14780	7.9
201.16417	10.6
203.14183	2.9
203.17851	3.0
213.16382	11.9
259.24310	3.6
269.22559	11.6
275.23676	3.2
277.25241	11.0
287.23636	50.1
293.24805	15.7
305.24695	81.2
311.25772	6.8
317.06451	10.3
323.22168	4.2
323.25684	38.8
341.17636	3.3
359.18542	8.3
535.28864	3.6
584.92419	2.6
625.27795	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	624.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.01852	4.0
55.05495	8.9
57.03437	2.7
57.07054	3.9
61.02927	3.0
65.18657	2.1
67.05495	31.4
69.03413	14.9
69.07056	23.7
70.06568	5.0
70.11527	10.0
71.04981	14.3
71.79649	2.2
79.05472	12.6
81.03403	12.1
81.06609	4.5
81.07047	53.8
83.04981	3.8
83.08590	9.4
85.02888	21.0
85.06526	2.3
87.00805	8.1
91.05463	8.7
93.07040	19.3
95.04942	8.6
95.07998	4.4
95.08585	55.9
97.02876	11.3
97.10139	7.2
98.20757	2.7
99.04416	6.2
105.01831	3.8
105.07006	14.4
107.08567	25.1
109.02868	12.1
109.06489	5.4
109.10136	100.0
110.07108	2.6
111.08073	2.8
111.11708	4.9
113.14037	2.5
117.06974	2.1
119.08563	14.0
121.06520	3.4
121.10120	23.9
123.04436	3.6
123.08028	3.7
123.11678	25.4
125.09602	4.4
127.03864	16.3
127.11164	7.4
129.06982	3.7
131.08521	4.6
133.10121	7.5
135.08011	3.8
135.11668	14.1
137.09613	3.0
137.13232	13.4
139.11201	4.3
143.08522	2.2
145.04887	4.8
145.10078	9.2
147.11650	10.8
149.09492	4.1
149.13242	10.3
153.12746	3.3
159.02921	3.3
159.11652	5.9
161.09500	2.7
161.13260	6.0
163.14758	6.0
165.09013	3.5
165.12733	4.0
173.13240	3.5
175.14793	3.7
177.16409	7.3
187.14832	3.1
187.52469	2.7
190.11891	2.4
191.18065	3.8
193.12021	2.3
194.20982	2.4
195.17439	3.9
201.16389	6.2
217.19707	2.2
230.12167	2.3
259.24100	5.7
277.25223	37.6
279.26797	3.2
287.23682	12.3
305.24698	99.5
317.06546	6.1
323.25760	42.3
359.84702	2.5
376.10977	3.5
376.21661	2.7
377.22729	3.4
381.97769	2.5
462.29074	5.6
535.28894	4.5
553.29962	7.2
571.30927	10.1
624.34143	3.5
625.27704	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	624.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
55.05501	9.7
61.02914	2.2
67.05488	28.4
69.03423	11.0
69.07067	13.8
69.44133	6.8
69.44559	15.6
70.06599	2.4
71.04989	8.5
73.06532	2.2
79.05473	6.6
81.03394	11.5
81.07045	41.8
83.04935	3.7
83.08596	6.6
85.02886	14.4
85.03323	2.3
87.00815	7.3
91.05479	8.5
93.07018	14.1
95.04964	16.6
95.08585	39.1
97.02886	9.4
97.10160	6.0
98.21517	4.4
99.04404	3.1
105.01868	5.3
105.07001	10.0
107.04981	2.3
107.08551	16.0
109.02867	4.5
109.06505	4.4
109.10135	100.0
111.08052	4.0
119.08565	9.3
121.06524	3.3
121.10126	15.8
123.11684	12.2
125.09612	3.7
127.03867	8.3
127.11179	7.7
133.10156	5.2
135.11667	10.8
137.09576	3.4
137.13234	9.9
139.11116	2.3
145.04973	2.3
145.10085	7.4
147.11638	6.9
149.13251	6.7
151.07521	3.8
153.12775	4.8
159.11690	2.6
163.14815	2.8
171.11647	2.5
177.16414	5.4
198.62027	2.1
201.16388	6.1
259.24084	5.1
269.22690	4.6
277.25232	23.4
287.23654	7.1
289.04684	3.2
305.24695	75.9
306.25204	2.8
317.06387	4.0
323.25763	15.1
376.21649	2.4
462.29288	6.2
535.28668	2.7
536.76794	2.1
553.30164	14.4
624.25745	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	624.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.6
55.01848	6.9
55.05502	12.7
57.03413	5.3
57.07057	7.4
60.21787	3.9
63.19417	3.2
67.05495	33.3
69.03416	21.5
69.07057	29.3
71.04976	15.0
71.69567	6.4
79.05466	13.0
81.03398	14.6
81.07046	65.5
83.08603	11.8
83.73827	3.5
85.02897	35.7
86.09651	4.4
87.00801	11.0
89.05955	3.4
90.23160	3.3
91.05463	12.1
93.07003	21.2
95.04928	13.9
95.08596	66.1
97.02865	16.8
97.06532	5.4
97.10165	5.1
99.04416	6.2
99.08086	4.0
105.01827	6.5
105.07021	15.5
107.04991	4.4
107.08575	34.1
109.02845	13.1
109.06558	5.9
109.10139	100.0
111.08025	6.8
111.11707	6.8
117.06960	6.1
119.08549	14.9
120.72944	3.9
121.10130	27.8
123.08036	5.6
123.11694	23.1
125.09596	5.1
127.03903	23.2
127.11180	8.2
129.96913	3.2
131.08502	10.7
132.08841	3.4
133.10112	11.9
135.11659	13.2
137.09584	7.4
137.13240	15.4
145.04997	5.6
145.10097	8.5
147.11649	14.2
149.13199	16.2
157.10074	4.5
159.02843	3.9
159.11705	9.2
161.13203	5.1
163.14778	5.5
165.12839	4.3
167.07071	4.4
175.14908	4.6
177.16365	6.1
179.10555	3.4
182.46596	3.5
189.16408	3.8
201.16353	4.5
213.16335	6.3
232.38899	3.4
259.24100	8.8
262.85623	3.7
269.22583	4.1
277.25204	46.9
287.23621	12.5
291.26740	5.2
305.24707	94.9
309.27762	4.5
317.06528	8.4
323.25745	44.0
346.06366	4.7
375.10651	7.0
376.11087	10.6
462.28983	8.7
553.29584	11.3
571.30676	15.5
624.34650	6.0
625.28082	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	625.1749
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
50.58743	0.3
54.19796	0.4
57.03434	2.1
59.00452	0.3
61.02923	0.4
69.03396	1.2
70.23500	1.3
71.04975	12.8
73.02894	0.4
75.04469	0.8
79.56843	0.4
83.04957	1.3
85.02888	15.2
87.04418	0.4
92.02612	0.6
93.03378	0.7
97.02852	0.7
98.20750	0.5
107.53953	0.4
121.02823	0.8
123.54588	0.3
124.52982	0.4
127.03861	0.7
129.05461	3.2
139.03893	0.4
147.06496	1.6
151.03899	0.8
153.01785	5.1
165.01836	0.7
201.05542	0.5
228.04239	0.6
229.05011	1.8
233.31905	0.5
245.04443	1.0
246.05106	0.9
257.04401	1.3
258.86163	0.4
267.06366	0.4
273.03833	1.1
274.04709	3.5
285.03973	2.5
302.04169	10.8
317.06500	100.0
318.06757	1.8
329.06494	0.7
359.07547	0.8
479.11859	0.7
528.16937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1749
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
57.03427	2.3
61.02903	0.7
69.03416	1.3
69.91758	1.6
71.04977	14.0
73.02891	0.5
75.04458	0.7
81.03387	0.4
81.06985	0.3
81.14771	0.2
83.04942	0.8
85.02888	18.8
87.04439	0.5
92.02610	0.5
93.03388	0.5
97.02892	1.2
98.21402	0.3
99.04441	0.7
109.02843	0.3
111.04426	0.5
119.87672	0.3
121.02838	0.4
126.03112	0.4
127.03890	0.8
129.05449	5.1
139.03862	0.5
139.27924	0.3
145.04910	0.8
147.06458	1.2
151.03943	0.4
153.01794	4.7
165.01845	0.6
201.05389	0.6
207.37833	0.3
218.05785	0.4
228.04129	0.7
229.04936	2.1
239.70297	0.2
243.06425	0.3
245.04443	0.8
246.05186	1.3
257.04413	1.6
273.03879	1.1
274.04630	3.3
284.03140	0.3
285.03915	3.1
302.04147	9.7
303.04520	0.3
317.06494	100.0
318.06863	3.9
329.06543	0.4
359.07513	1.0
479.11755	0.5
590.11560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01850	0.3
55.05485	0.3
57.03427	1.8
61.02910	0.7
63.58991	0.1
65.03922	0.2
67.05497	0.2
69.03415	1.5
69.06998	0.1
69.73135	0.4
69.73548	1.0
70.06572	0.3
71.01339	0.2
71.04980	11.4
73.02903	0.4
75.04446	0.5
81.03401	0.8
81.07030	0.4
83.04962	0.4
85.02892	16.7
87.04447	0.4
91.03954	0.2
92.02592	0.6
92.59549	0.2
93.03373	0.8
95.08562	0.2
97.02872	1.5
97.78677	0.2
98.20694	0.2
99.04408	0.5
109.02857	0.5
109.10154	0.2
111.00716	0.2
111.04438	0.3
121.02871	0.9
123.04388	0.3
126.03127	0.2
127.03894	1.0
129.05449	3.7
133.10005	0.1
137.02304	0.3
139.03888	0.8
144.06512	0.3
145.04890	0.9
147.06502	1.0
151.03864	0.7
153.01802	5.6
165.01770	0.3
165.28731	0.2
177.05415	0.3
201.05370	0.5
203.03401	0.2
217.04939	0.4
218.05714	0.4
228.04144	0.7
229.04938	2.4
231.02766	0.2
245.04457	0.5
246.05145	1.3
256.03485	0.3
257.04449	2.0
260.03299	0.3
271.06076	0.2
273.03912	1.2
274.04675	2.8
284.02951	0.2
285.03922	3.4
286.04648	1.1
288.06082	0.2
299.05380	0.2
301.03735	0.3
301.07037	1.3
302.04169	9.2
303.04764	0.5
317.06509	100.0
318.06860	4.1
318.10358	0.3
329.06476	0.5
359.07590	0.7
359.22650	0.2
383.07339	0.3
393.85922	0.2
437.45667	0.2
463.12302	0.5
479.11771	0.4
589.69781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01853	1.6
55.05503	3.2
57.03424	1.5
60.52245	0.5
65.03918	0.6
67.05496	7.7
69.07055	3.1
69.92816	1.1
69.93225	2.9
71.04977	0.7
71.06869	0.5
79.05481	6.5
81.03426	0.7
81.07048	7.9
81.34772	0.5
83.04954	1.3
83.08601	1.5
91.05457	6.9
93.07028	6.5
95.04955	1.9
95.08592	5.4
97.06516	1.8
97.10181	0.7
99.31025	0.5
105.07007	6.0
106.07365	1.0
107.04961	1.4
107.08560	3.5
109.06507	1.9
109.10155	2.1
117.07001	2.3
119.08553	4.5
121.10122	1.8
123.08077	0.7
123.11711	0.8
125.09641	0.9
128.06163	0.6
129.06999	1.8
131.08539	3.1
133.10103	3.5
134.10461	0.5
135.08037	1.7
135.11688	1.3
143.08551	1.5
145.10097	3.2
147.08037	0.6
147.11688	1.5
149.09592	0.7
155.08560	1.1
156.62451	0.6
157.10146	1.5
159.11649	1.1
161.09663	0.6
161.13251	0.9
163.30954	0.6
165.12701	0.6
169.10132	1.3
171.11748	1.1
173.13211	1.2
175.11290	0.7
183.11682	1.0
185.13297	0.6
196.33342	0.5
217.15871	0.8
237.16504	0.6
241.19469	0.6
256.95016	0.6
259.20413	0.8
273.18484	3.7
275.20114	2.0
276.20377	0.8
291.19489	1.4
335.25772	2.0
391.18790	0.6
403.19028	0.6
404.20184	0.9
405.16418	0.8
405.21066	1.2
406.21750	1.0
406.43478	0.6
407.22314	1.1
418.17950	1.6
419.18335	1.6
419.22864	1.3
420.23447	2.5
421.23895	1.2
432.19452	2.0
433.19968	5.8
434.21112	2.0
435.22101	0.9
437.23425	1.5
446.21127	2.0
447.21884	4.6
448.22372	2.2
449.19089	3.1
450.15866	0.7
451.25171	2.8
452.25717	0.9
461.23593	0.8
463.21204	3.7
464.21899	2.8
465.22678	3.3
477.22849	2.7
478.23572	7.7
479.24475	9.0
491.24475	2.0
493.26019	0.7
505.26675	0.9
510.26465	0.8
521.25659	0.9
523.23541	2.3
524.27875	0.9
534.25775	0.8
536.22302	0.7
537.25513	1.8
565.28271	24.3
566.28448	1.8
593.27618	0.8
597.30896	0.6
607.43335	2.4
625.30096	100.0
625.44147	8.4
626.30304	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.2
55.01856	4.6
55.05501	23.1
57.03425	14.6
61.02911	3.8
65.03924	3.3
67.05494	71.5
69.03416	24.3
69.06695	2.6
69.07052	23.3
69.85563	1.4
70.75401	3.2
70.75788	4.2
71.01334	2.0
71.04977	9.8
71.08627	2.0
73.02899	3.8
79.05480	50.4
81.03403	49.5
81.07042	100.0
82.07365	2.1
83.04972	28.2
83.08599	22.3
85.02890	12.0
85.06514	6.1
87.04463	2.3
91.03925	3.2
91.05461	39.7
91.06028	2.1
93.07026	51.0
94.27722	1.7
95.04966	12.3
95.08588	29.4
97.02869	15.7
97.06512	12.3
99.04430	7.3
99.08068	5.1
101.02383	2.1
103.05473	2.3
104.15237	1.9
105.04488	1.7
105.07011	22.9
107.04922	8.2
107.08568	36.4
109.02872	12.5
109.06503	4.9
109.10126	7.3
111.04406	6.8
111.08042	6.7
115.05392	3.3
117.07018	16.3
119.08562	13.6
120.09032	1.7
121.06484	5.2
121.10110	15.0
123.04437	3.4
123.08056	2.8
123.11701	4.5
127.03899	12.4
129.05479	12.7
129.06969	7.8
131.04909	1.6
131.08546	25.0
131.88939	1.5
133.06456	5.3
133.10107	15.6
135.08040	4.1
135.11711	9.3
137.05991	1.6
139.03888	2.1
141.06898	2.5
143.08537	4.8
145.04849	2.4
145.06490	2.2
145.10143	8.7
147.08014	2.4
147.11653	9.4
149.09563	3.4
149.13220	21.5
151.11166	1.9
155.08563	3.8
157.10138	7.3
159.11662	20.1
161.09572	2.1
161.13258	2.3
165.12733	4.5
167.14349	2.5
169.10167	2.8
171.11653	2.8
173.04465	6.5
173.13269	2.5
173.72354	1.9
173.86949	1.9
177.12758	10.2
179.14291	2.0
181.10150	2.4
183.11725	2.0
185.13242	3.2
193.12073	1.8
195.11960	2.1
195.13754	24.0
209.13214	2.3
213.14836	4.4
219.13837	2.2
221.13402	2.2
229.14240	2.0
233.15396	2.2
249.14525	2.5
257.15210	1.9
267.15906	3.9
269.17413	45.0
275.16254	2.9
303.15903	3.3
317.06384	2.2
321.17020	2.5
339.17950	9.9
343.26071	2.4
353.24783	6.8
371.25809	4.5
389.26672	4.5
395.20490	7.4
413.17188	1.8
413.21808	15.8
445.29443	34.7
453.20941	3.9
463.24026	3.4
463.30475	67.4
464.30957	4.7
487.30457	2.7
511.18637	1.7
571.32623	4.1
589.33582	4.0
607.34662	33.1
608.35138	3.5
625.31665	32.5
626.32104	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01855	5.5
55.05502	16.9
57.03413	4.4
65.03927	2.9
67.05490	44.0
67.21552	1.7
69.03413	4.5
69.07047	15.0
70.02738	9.6
71.04964	7.3
71.08598	1.8
79.05478	31.6
81.03403	8.8
81.07043	43.3
82.07375	1.9
83.04969	8.8
83.08624	8.6
85.02878	3.3
85.06549	2.5
91.05464	32.1
93.07023	34.4
95.04949	6.1
95.08582	22.4
97.02854	3.8
97.06527	5.7
97.10158	5.1
98.20715	2.4
98.21313	3.6
99.04413	2.2
103.05481	1.9
104.35233	1.8
105.07007	31.4
107.04935	5.2
107.08570	19.4
108.08934	1.7
109.06478	6.0
109.10133	13.2
110.07208	1.9
111.04443	3.7
111.08050	2.3
117.06991	18.1
118.46561	1.6
119.08562	21.3
121.06501	2.7
121.10103	12.0
123.08022	3.9
123.11694	5.7
125.09572	1.7
127.03872	2.4
128.06197	3.6
129.06998	13.6
131.08545	24.3
133.10117	18.1
135.08035	3.1
135.11671	6.3
141.06941	5.4
143.08511	14.6
145.06450	3.3
145.10083	18.7
147.08055	2.4
147.11676	7.6
149.09567	3.2
149.13229	4.4
151.11113	3.3
155.08543	8.5
157.09016	1.7
157.10069	10.3
159.11652	11.6
161.13235	2.7
163.11130	4.3
165.12625	2.3
166.07710	1.8
167.08514	3.4
169.10042	10.0
171.11700	12.1
173.13206	2.9
175.11229	1.9
181.10104	4.3
183.11659	6.2
185.13213	7.1
193.10106	2.5
195.11763	3.8
197.13210	5.0
199.14818	5.7
209.13289	4.1
211.14801	3.6
221.13260	2.0
223.14790	2.6
229.14253	2.2
253.66814	1.9
259.20682	2.0
269.17413	3.8
275.19974	5.7
276.20288	2.9
335.23773	2.6
353.24664	6.7
371.25717	8.9
389.26892	8.7
392.03561	1.9
422.09302	1.6
427.28586	2.7
445.29413	100.0
446.29541	5.8
463.30371	23.3
464.31091	2.5
510.91162	1.8
513.35364	2.9
518.95709	1.7
533.39398	3.3
551.41278	3.1
574.49683	1.8
607.25702	2.6
607.43341	12.1
625.26068	4.3
625.44580	30.2
626.27240	1.9
626.43781	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	625.3574
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
51.02368	2.4
53.03933	5.8
54.71286	2.6
55.01862	10.0
55.05505	40.3
57.03422	10.1
57.07053	4.9
62.48892	2.3
65.03931	5.1
67.05494	84.1
69.03411	3.3
69.07055	31.4
69.45374	16.4
69.45798	5.0
71.04975	9.0
79.05486	59.7
79.24783	2.1
81.03404	9.1
81.07043	87.2
83.04971	6.2
83.08600	15.3
85.02937	2.9
85.06523	5.1
91.05468	62.5
93.07030	57.6
95.04956	10.6
95.08590	49.0
97.02839	2.5
97.06523	12.6
97.10156	12.6
98.20643	4.2
99.08081	2.5
105.07016	53.0
107.04939	6.6
107.08572	33.4
109.06481	7.4
109.10132	29.1
111.08036	4.3
115.05481	4.3
115.86924	2.2
117.07007	33.7
119.08561	42.9
121.06521	6.0
121.10132	16.5
123.08054	6.2
123.11693	8.4
125.09604	9.0
128.06235	6.9
129.06958	26.2
131.08545	42.4
133.10101	29.7
135.08052	4.6
135.11665	13.0
137.09572	4.0
141.06979	13.1
142.07784	7.9
143.08536	27.8
145.10094	30.2
147.08040	4.4
147.11671	17.5
149.09599	5.7
149.13252	5.5
151.11174	4.4
154.07803	3.3
155.08527	21.0
156.09314	5.7
157.06528	2.7
157.10120	25.1
159.08043	3.2
159.11658	21.7
161.09676	3.8
161.13268	8.7
163.11124	4.5
163.14798	3.0
165.06985	3.5
167.08577	9.4
168.09305	3.2
169.10098	23.3
171.11649	21.8
173.11771	4.4
173.13271	12.3
175.14867	3.4
179.08620	2.9
180.09314	3.0
181.10118	11.4
183.11699	19.4
185.09531	2.5
185.13205	13.3
187.13326	3.9
187.14819	5.1
189.11188	4.5
195.11752	9.1
196.12415	2.4
197.13280	17.4
197.14850	2.6
199.11101	2.9
199.14828	7.9
201.16380	5.3
207.11766	5.4
209.13232	11.5
211.14839	8.9
213.16402	5.9
221.13292	6.0
223.14870	7.3
225.16446	3.5
227.12769	4.9
229.14305	3.3
235.14737	2.8
237.16357	7.6
239.18013	5.3
241.19611	3.7
257.18951	4.0
259.20502	4.1
273.18573	3.0
275.20160	6.3
283.20392	2.5
285.18604	2.8
323.23788	3.0
325.25494	2.5
327.23251	2.5
333.24188	3.6
343.26224	3.3
349.24142	2.5
353.24625	11.4
355.26495	2.8
365.28464	5.1
371.25601	12.3
376.52682	2.6
379.30261	3.3
383.29245	3.5
389.26880	17.5
421.30942	3.2
423.27695	3.4
439.31833	4.0
445.29428	74.5
446.29663	3.5
449.29486	2.4
463.30573	29.6
464.30490	2.8
497.37061	3.0
513.35693	10.3
515.38745	9.5
533.40265	12.3
551.40942	10.3
607.43573	44.7
616.95605	2.7
625.34521	6.1
625.44525	100.0
626.45020	7.3
652.45575	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33817	2.4
53.03938	3.6
55.01857	8.1
55.05507	20.7
57.03421	7.4
57.07061	2.9
65.03937	3.0
67.05498	51.8
67.06279	2.1
69.03424	4.7
69.07066	19.2
71.04980	6.8
72.70777	2.4
76.78307	2.4
79.05482	35.1
79.15659	3.0
81.03395	7.2
81.07047	47.6
83.04952	10.0
83.08597	10.9
85.02903	3.2
85.06570	3.2
91.05462	48.4
93.07032	42.1
95.04955	7.0
95.08594	30.4
97.06496	7.7
97.10145	6.0
98.21445	7.1
103.05453	3.2
105.07021	42.6
107.04906	4.4
107.08604	24.9
109.06525	5.8
109.10137	13.7
117.06995	16.3
119.08557	27.0
121.06497	3.4
121.10094	13.4
123.11671	3.0
126.34447	2.4
128.06151	3.4
129.05438	3.5
129.06982	15.0
131.08551	29.3
133.06444	4.2
133.10123	21.3
135.08017	4.2
135.11678	7.4
137.09526	3.3
141.06979	6.2
143.08542	15.2
145.10133	18.7
147.07971	3.3
147.11621	6.1
149.09575	6.3
155.08540	10.2
157.10095	11.8
159.08054	3.5
159.11690	9.6
161.13173	4.2
163.11218	3.3
167.08540	2.8
169.10178	11.9
171.11665	7.6
173.13289	3.8
181.10046	6.2
183.11659	10.1
185.13249	4.3
187.14856	2.9
189.12730	3.1
195.11665	6.8
197.13258	6.1
199.14764	4.3
201.16420	3.6
207.11775	3.8
209.13271	3.9
211.14806	6.8
213.16386	4.0
269.17441	3.8
273.18643	2.6
275.20203	3.3
276.20444	2.9
319.83917	2.7
343.26364	3.3
353.24701	11.0
371.25723	12.6
389.26758	14.4
445.29471	100.0
446.29660	4.3
463.30496	26.5
547.23975	3.2
551.40778	4.3
607.34167	4.1
607.43011	6.5
625.44452	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
55.01855	6.4
55.05491	19.0
57.03424	6.9
59.04998	4.1
61.02898	8.4
62.95145	4.2
67.05490	56.3
69.03406	10.4
69.07049	16.8
71.04963	7.5
71.69567	6.2
79.05472	41.4
79.88770	4.2
81.03380	14.3
81.07040	69.4
83.04950	12.0
83.08599	10.9
85.02879	6.4
85.06535	4.7
91.05458	48.2
93.07021	38.7
95.04948	12.6
95.08589	34.1
97.02882	8.9
97.06512	8.4
97.10158	7.4
105.07005	37.9
107.04940	13.8
107.08592	24.8
109.02847	9.0
109.06461	6.6
109.10131	9.8
111.08054	8.0
117.06977	18.8
119.08541	25.2
121.10101	14.2
123.04362	4.8
129.06987	13.9
131.08542	33.6
133.10121	15.4
135.11646	6.1
141.06947	7.9
143.08484	8.9
145.10069	23.8
147.08098	5.1
147.11638	9.0
149.09576	6.5
149.13245	8.7
155.08545	8.7
157.10114	15.4
159.11678	16.8
169.10103	9.8
171.11647	6.6
173.13289	5.0
184.07318	4.5
195.11697	6.4
197.13179	4.7
218.16594	4.0
225.16753	6.0
240.35268	4.2
269.17496	8.2
304.80627	4.3
317.06497	8.2
343.26239	6.8
353.24606	17.1
371.25702	21.2
389.26846	18.8
445.29465	100.0
446.29492	7.7
463.30405	66.0
625.32263	23.0
625.44507	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	625.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98603	5.3
55.01869	14.4
55.05509	35.2
57.03424	8.5
67.05497	100.0
69.07062	35.6
71.04974	17.6
71.67774	6.7
79.05485	65.4
81.03397	19.3
81.07047	91.2
83.04959	14.5
83.08589	20.2
85.02873	10.7
91.03933	5.1
91.05469	70.1
91.63185	6.5
93.07033	60.9
95.04953	18.3
95.08573	59.4
97.06500	15.3
97.10139	10.1
97.52879	5.0
105.07012	75.9
107.04937	17.6
107.08559	45.6
109.06517	9.8
109.10158	28.6
111.04415	5.3
111.08062	7.4
117.07008	36.2
119.08557	50.8
121.06470	10.9
121.10101	21.0
123.11700	9.8
125.09595	5.9
127.03905	5.9
129.07001	19.3
131.08543	48.8
133.06488	7.9
133.10098	33.4
135.08038	8.3
135.11639	9.9
137.27014	5.4
138.91774	6.3
141.06990	10.3
142.72626	5.6
143.08545	31.0
145.10138	29.7
147.07982	5.8
147.11671	13.9
149.09590	10.7
149.13231	12.0
149.62930	5.8
155.08516	14.7
157.10118	25.5
159.11691	25.5
161.13220	9.1
163.11154	5.7
167.08511	7.1
169.10158	14.8
171.11674	24.5
173.13232	9.6
181.10162	6.8
183.11623	13.5
185.13347	12.4
195.11667	10.5
197.13252	14.0
199.14784	6.9
207.11687	6.5
209.13335	10.9
211.14929	6.5
241.19499	6.4
257.18988	9.0
269.17538	9.2
275.20004	14.2
296.10333	7.5
317.06595	9.9
325.24948	7.8
343.98145	5.5
353.24719	6.5
371.25662	6.7
387.57913	6.3
389.26837	24.1
445.29428	91.4
463.30173	26.5
513.35901	8.2
515.39423	6.7
533.39270	10.2
567.49774	5.8
584.83167	5.8
607.43457	33.2
625.33496	11.2
625.44495	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.8
53.03923	11.8
55.01860	8.5
55.05502	37.8
57.03411	11.2
57.07090	3.5
61.02895	3.5
65.03923	4.0
67.05492	74.3
69.03421	25.3
69.07050	30.2
71.04979	14.2
71.69360	3.5
77.36805	2.8
79.05479	53.1
81.03406	95.0
81.07042	100.0
82.07409	3.4
83.04964	30.0
83.08607	32.5
85.02885	31.5
85.06531	8.3
88.90919	3.0
91.05457	55.4
93.07026	49.6
95.04952	31.3
95.08593	61.7
95.09196	4.7
97.02876	36.3
97.06512	18.8
97.10139	8.3
99.04434	11.1
103.03898	5.1
103.05392	3.2
105.07011	51.7
106.07354	3.4
107.04924	19.6
107.08576	29.4
109.02847	19.5
109.06491	9.9
109.10151	15.5
111.04424	13.4
111.08065	11.2
117.06992	11.3
119.08561	34.5
121.06474	10.2
121.10117	21.5
123.04420	6.3
123.08070	7.4
123.11682	6.6
125.09610	4.7
127.03893	19.2
128.06219	3.6
129.05518	6.8
129.07039	15.3
130.34959	2.9
131.04984	3.5
131.08542	17.6
133.06485	5.1
133.10114	22.5
135.08005	5.7
135.11659	10.9
137.05917	4.6
137.09604	4.5
137.13298	4.3
139.03888	4.0
143.08542	3.9
145.04936	3.8
145.06497	5.0
145.10118	13.8
147.08040	6.4
147.11633	21.7
149.09608	4.8
149.13249	9.5
151.07541	5.7
156.08990	3.7
157.10114	16.5
159.11658	14.6
161.05887	3.2
161.13231	17.3
163.03856	5.0
163.11163	5.4
165.12744	6.6
169.10173	4.0
173.04440	6.4
173.09613	3.3
175.11203	9.6
177.12746	4.6
179.14320	13.8
181.12260	3.0
191.10570	6.1
193.12225	46.6
195.13754	16.1
201.12456	3.2
203.07043	3.0
211.13248	66.0
213.14771	7.2
222.72508	3.2
227.12717	9.4
229.14291	6.6
253.17928	23.4
267.15842	6.3
269.17471	20.3
271.18921	5.8
285.16995	15.6
305.17526	4.3
317.06467	8.2
339.18045	6.4
355.17563	7.4
371.25433	7.4
389.26569	5.8
393.18533	3.0
397.22195	2.9
411.19971	7.0
413.21674	4.2
445.29437	5.8
463.30249	26.8
481.31467	11.7
607.34399	8.5
625.36078	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	625.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
51.15820	1.1
53.03933	3.9
55.01853	6.5
55.05238	2.0
55.05500	30.5
57.03198	1.3
57.03426	14.1
57.07070	3.0
65.03922	2.4
67.05493	49.5
69.07055	19.3
69.91749	4.3
69.92186	3.9
70.36272	1.1
71.04975	5.5
73.06567	1.6
79.05478	36.7
81.03427	2.2
81.07040	48.4
83.04970	4.0
83.08610	11.8
85.06518	5.5
86.56398	1.1
91.05462	32.5
93.07031	35.5
95.04940	6.5
95.08593	34.8
97.06536	7.4
97.10158	9.8
98.21134	3.7
99.08060	5.4
103.05430	2.3
105.07012	35.2
107.04968	2.2
107.08572	23.0
109.06453	7.5
109.10142	18.0
111.08065	4.0
113.09650	2.4
115.05441	3.8
117.06998	18.4
119.08558	23.3
121.10130	12.9
123.08022	2.7
123.11716	5.7
125.09578	8.2
128.06201	5.3
129.06969	17.6
130.07790	1.5
131.08548	23.6
133.10100	19.1
135.08055	3.0
135.11671	8.6
137.09622	2.5
141.06947	9.5
142.07755	4.6
143.08537	22.8
144.09340	1.6
145.06396	1.4
145.10094	25.6
147.11662	11.8
149.09615	4.4
149.13245	4.0
151.11205	1.7
153.06984	2.1
154.07736	2.8
155.08511	18.9
156.09378	3.1
157.10089	20.3
159.08008	2.0
159.11665	17.7
161.09576	1.7
161.13254	6.7
163.11147	3.7
165.06992	2.2
167.08586	9.6
168.09354	2.8
169.10098	20.9
170.10771	1.5
171.10214	1.8
171.11652	21.1
173.13248	12.4
175.11188	2.1
175.14810	3.3
179.08528	4.2
180.09338	2.8
181.10094	11.6
182.10866	1.9
183.11668	20.1
183.13155	2.0
184.12152	1.5
185.13228	14.8
187.11360	1.2
187.13297	2.0
187.14859	5.3
189.11189	2.8
193.10158	4.4
194.10669	1.3
195.11649	13.6
196.12413	2.3
197.13249	17.4
199.14798	9.5
201.16415	3.9
205.10175	2.2
207.11697	5.4
208.12459	2.1
209.13197	12.2
211.14755	10.2
212.15352	1.5
213.16432	4.8
215.18040	1.4
219.11607	1.7
221.13245	5.2
223.14722	8.2
225.16322	5.8
227.12794	4.2
227.18002	2.6
235.14832	4.2
237.16370	5.2
239.17921	5.3
241.19478	3.0
245.18973	2.5
247.14763	1.7
249.16304	3.0
251.17822	2.3
253.19572	1.6
257.19043	3.8
259.20587	5.0
261.16357	2.1
263.17917	2.7
265.19638	1.9
267.20975	2.2
273.18411	3.2
275.20111	5.6
283.20416	1.5
291.19461	1.5
295.20413	1.5
297.22055	2.5
299.20413	1.4
301.21432	1.5
309.22101	2.8
313.21640	1.3
321.22110	1.6
323.19870	2.1
323.23605	2.5
325.21454	2.1
325.25174	2.1
327.23181	1.4
341.24802	1.6
349.24274	2.6
361.24997	1.7
365.28442	5.4
379.30011	3.1
381.27667	1.8
381.31845	2.8
403.29471	1.9
416.06970	1.6
417.31641	1.5
421.31024	3.0
435.32639	1.8
439.32230	2.9
447.32593	2.0
449.34454	1.8
461.33908	2.2
495.34586	1.5
497.37192	2.1
499.34549	2.4
505.40820	1.7
513.35657	14.7
515.38544	10.2
527.37720	1.5
533.40015	13.0
535.37750	2.3
537.36072	1.7
539.37347	3.0
551.41022	6.7
553.38776	11.2
567.40613	2.4
569.43536	1.5
589.42560	4.5
597.45349	1.6
607.43488	51.0
608.43811	3.4
625.44531	100.0
626.44727	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
55.01867	10.2
55.05505	29.5
57.03423	7.0
57.07061	2.8
59.04999	2.2
61.26829	1.3
65.03923	3.0
67.05495	48.6
69.03415	3.2
69.07056	28.2
71.04974	4.1
71.14735	2.0
79.05482	39.4
81.07045	47.3
83.04977	5.4
83.08608	17.2
85.06535	3.3
91.05466	32.0
91.06041	1.8
93.07031	31.2
95.04955	6.7
95.08593	34.6
97.06509	9.4
97.10149	13.1
99.08090	2.3
102.42212	1.0
105.07014	31.6
107.04939	4.3
107.08578	21.8
109.06507	3.0
109.10146	19.7
111.08092	2.1
115.05448	2.1
117.07001	17.5
119.08561	26.8
119.77612	0.9
121.06476	1.9
121.10120	12.8
123.08065	2.8
123.11683	10.9
125.09610	9.2
128.06216	3.9
129.06993	17.5
131.08548	25.5
131.09444	2.1
133.06430	1.2
133.10107	22.2
135.08022	2.9
135.11679	8.4
137.09593	1.8
141.07008	8.3
142.07788	4.8
143.08551	19.2
144.09247	1.1
145.06467	1.5
145.10101	21.2
147.08052	1.3
147.11679	11.8
149.09618	4.1
149.13268	4.3
151.11179	1.7
153.06979	2.4
154.07799	2.7
155.08533	18.3
156.09294	3.0
157.10101	21.2
159.08109	1.3
159.11661	18.1
161.13275	8.8
163.11208	3.4
163.14815	1.6
167.08521	5.1
168.09377	3.5
169.10112	17.2
170.10786	2.0
171.10240	1.3
171.11673	18.9
172.12453	1.5
173.09695	1.6
173.11829	2.1
173.13235	12.1
175.11237	1.6
175.14818	3.1
179.08548	3.0
180.09268	1.4
181.10080	9.0
182.10844	1.9
183.11684	17.4
184.12341	1.1
185.13228	12.4
187.11392	1.5
187.13266	2.4
187.14842	5.7
189.11185	3.7
189.12675	1.7
189.16414	1.9
193.10130	3.5
195.11700	10.5
195.13443	1.7
196.12506	1.5
197.13261	13.4
199.11087	1.5
199.14787	10.0
201.12791	1.2
201.16367	3.5
205.09996	1.0
207.11681	4.7
209.13200	10.7
211.14806	11.0
213.16370	5.2
215.17973	2.5
217.15863	1.3
219.11780	1.7
221.13234	4.3
221.15201	1.3
223.14845	6.6
225.16354	5.1
227.12752	7.2
227.17958	3.9
235.14812	3.4
237.16412	4.6
239.17982	4.8
241.19469	5.2
243.15758	2.5
249.16429	1.8
251.17960	3.2
253.19548	3.1
255.17422	1.2
255.21170	2.0
257.19043	3.5
259.20547	5.2
265.19513	2.6
267.21112	2.3
269.18900	1.1
273.18591	2.8
275.19974	6.6
277.19440	1.3
279.21246	1.4
283.20605	1.6
285.22055	1.2
289.19345	1.2
295.20395	1.9
297.21951	1.6
309.22119	2.1
313.21719	1.5
315.23370	1.5
320.20782	1.2
323.23721	2.8
333.24356	4.4
339.23236	2.3
349.23917	2.4
353.24738	1.3
363.26779	1.3
365.28430	9.4
367.26569	1.7
377.93344	1.2
379.29996	2.2
381.27414	1.5
381.31555	5.0
383.29547	3.2
395.29382	1.5
407.29266	1.7
415.28799	1.2
421.31055	4.5
435.32614	1.8
439.32288	3.5
447.32660	2.0
459.32166	1.6
465.33701	1.2
487.81506	1.2
495.34674	3.3
497.37354	1.3
513.35748	19.0
514.36145	1.6
515.38873	7.5
517.35272	1.4
527.37134	2.4
533.39850	11.4
538.36835	1.4
551.40887	8.0
555.35864	1.5
567.41052	1.4
589.42877	3.4
607.43561	50.5
608.43964	5.6
625.44537	100.0
626.44843	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.4
53.03940	2.5
53.08958	0.9
55.01867	6.3
55.05502	27.8
57.03433	5.0
57.07059	2.8
57.72689	0.9
59.04987	2.1
59.23340	0.9
65.03922	2.4
66.04720	1.0
67.05494	41.9
69.03423	1.8
69.07056	20.1
70.82211	1.7
70.82587	1.9
71.04973	4.2
77.03906	1.0
79.05482	30.0
81.07041	41.9
83.04955	4.3
83.08607	16.4
85.06506	1.8
91.05466	23.9
92.05769	0.9
93.07027	28.7
94.51028	0.9
95.04951	3.8
95.08585	27.8
97.06506	4.6
97.10155	13.7
99.08097	1.5
103.05344	0.9
105.07016	25.0
107.04933	2.9
107.08578	19.5
109.06516	3.9
109.10134	14.4
111.08058	3.0
115.05453	1.4
117.07002	12.9
119.08558	18.7
121.06496	2.3
121.10137	9.4
123.08056	2.2
123.11690	15.1
123.91239	1.0
125.09602	9.0
128.06165	4.6
129.06981	15.1
131.08554	19.2
133.10109	17.5
135.08034	3.2
135.11674	5.2
137.09596	1.6
137.13242	1.1
141.06984	6.6
142.07784	5.2
143.08554	18.1
144.09279	1.1
145.06480	1.2
145.10098	21.0
147.08044	1.1
147.11682	10.3
149.09610	2.5
149.13264	3.1
151.11180	2.5
153.07007	1.5
154.07698	2.1
155.08519	13.2
156.09354	2.7
157.10118	18.8
158.10796	1.6
159.08005	1.4
159.11664	12.8
161.13181	6.4
163.11208	1.6
163.14859	2.0
165.06950	1.2
166.07703	1.2
167.08559	6.2
168.09314	2.0
169.10106	17.0
170.10834	2.4
171.10262	0.7
171.11673	17.1
171.13069	1.5
172.12556	1.3
173.09665	0.9
173.11798	1.5
173.13194	8.7
175.14825	3.8
179.08553	3.0
179.14352	0.9
180.09348	1.5
181.10100	8.7
182.10886	1.7
183.11652	15.9
184.12393	1.2
185.13226	12.0
187.13301	4.1
187.14767	5.4
189.11142	5.3
189.16328	1.5
191.14336	1.0
193.10159	2.4
194.10921	1.3
195.11691	9.9
197.13234	13.1
198.13754	1.0
199.14819	9.9
201.16397	3.1
207.11662	3.4
209.13255	6.6
210.13893	1.5
211.14771	7.6
213.16388	4.8
215.17868	1.2
217.15916	1.1
219.11554	1.2
219.17497	1.1
221.13174	2.4
221.15231	1.4
223.14822	4.7
225.16330	7.0
227.12714	8.4
227.14479	1.0
227.17989	4.1
235.14822	2.7
237.16391	4.1
239.17928	4.1
241.19510	4.5
243.15843	5.4
249.16405	1.6
251.17909	2.0
253.19533	2.7
255.17554	1.2
255.21013	1.4
257.18875	1.9
259.20596	3.5
263.17944	1.6
265.19589	2.8
267.21158	1.9
271.20605	1.1
273.18631	2.4
275.20129	3.5
277.19702	1.7
279.20920	1.4
283.20663	1.0
291.19684	1.9
309.22226	1.3
311.23535	2.9
323.20026	1.1
323.23654	2.1
333.24347	1.6
347.23007	1.0
347.27286	1.4
349.23953	2.1
357.24518	1.0
363.26688	2.9
365.28394	10.6
367.26245	2.2
379.25867	1.4
379.30334	1.3
381.31744	4.4
383.29410	3.7
387.08313	1.1
395.29144	1.1
407.29367	2.0
421.30881	2.1
431.29047	1.3
433.14380	1.0
433.31210	1.8
439.32037	5.5
451.31851	1.2
499.34204	1.5
513.35504	8.0
515.38898	7.5
533.39941	10.2
537.35388	1.1
551.41241	4.8
575.23004	1.2
589.42633	3.3
607.25568	2.9
607.43518	36.0
608.43890	2.7
625.26935	3.8
625.44525	100.0
626.45325	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	625.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80891	1.6
53.03930	5.9
53.34724	1.9
55.01862	48.5
55.05506	34.1
57.03427	11.7
57.07070	5.3
65.03935	3.6
66.04814	1.9
67.05492	74.1
69.03424	4.2
69.07057	100.0
69.37978	19.3
71.04984	5.3
71.08633	1.8
72.19599	1.6
79.05482	61.6
81.03406	7.8
81.07043	77.7
83.04974	12.3
83.08604	18.7
85.06535	4.7
91.05468	72.3
93.07030	58.5
95.01305	3.9
95.04952	14.7
95.08588	53.5
97.06516	52.5
97.10136	9.0
98.20721	4.5
99.08071	4.7
105.07016	78.9
107.04943	20.0
107.08574	34.3
109.06506	11.7
109.10146	20.7
111.08089	4.8
115.05472	2.1
117.06998	30.9
117.07796	2.7
119.08566	58.9
121.06497	7.7
121.10120	23.8
123.04428	2.4
123.08039	6.6
123.11681	4.2
125.09616	6.9
128.06192	9.4
129.06982	24.2
131.08549	53.7
133.06467	2.5
133.10110	40.4
135.08057	5.3
135.11673	16.0
137.09645	4.4
139.11177	3.0
141.07016	9.6
142.07738	2.9
143.08546	38.1
144.09326	1.8
145.06488	4.6
145.10103	45.7
145.11220	3.1
147.08015	4.6
147.11678	32.7
149.09601	11.0
149.13264	10.5
149.16341	1.9
151.11153	2.3
154.07721	3.6
155.08539	23.6
156.09377	2.5
157.10106	33.9
159.08034	2.6
159.11684	34.6
161.09622	5.0
161.13251	20.1
163.11134	8.7
163.14769	2.5
164.32657	2.0
165.07027	1.9
165.12750	2.5
167.08556	8.8
168.09329	3.3
169.10118	27.7
171.08102	2.3
171.10222	4.7
171.11655	37.1
173.09648	2.5
173.13228	21.4
175.11235	2.9
175.14862	11.5
177.12727	5.0
179.08502	2.9
179.14365	7.1
181.10069	11.4
183.11664	23.9
185.09731	2.0
185.13220	26.5
187.11183	5.2
187.14740	11.7
189.16304	3.6
193.10150	3.8
195.11682	13.4
195.13297	2.3
197.13188	17.5
199.11244	2.7
199.14789	13.2
201.16437	5.2
207.11699	6.3
209.13271	10.9
211.14877	9.8
213.16354	8.7
215.14323	3.0
215.17995	2.7
219.17480	4.1
221.13275	5.4
223.14857	9.1
225.16441	7.7
227.17998	3.9
229.19513	2.1
231.21095	5.3
233.13277	3.1
235.14897	5.2
237.16394	7.3
238.53700	2.3
239.18005	7.4
241.19499	23.3
247.14963	3.1
247.20480	2.5
249.16389	2.8
251.17931	4.5
253.19669	2.2
255.17401	3.8
257.19086	11.4
259.20578	27.4
265.19742	2.4
273.18567	5.5
275.20053	46.5
277.21844	3.4
281.22717	2.5
291.19519	4.8
293.21182	6.3
311.23679	4.1
313.21521	3.3
315.23120	3.2
323.23544	3.2
325.25262	3.1
333.24213	20.9
337.25323	4.1
339.22986	2.5
344.15546	2.1
349.23679	27.2
417.31613	3.0
419.33261	5.8
421.31052	3.1
435.32123	10.5
437.34113	21.5
438.34637	2.9
475.35611	2.2
481.33328	2.4
493.36908	3.2
501.35724	4.1
509.35889	5.2
511.37808	11.3
513.35828	11.3
515.38647	9.5
527.37720	4.6
529.39124	9.4
533.39758	16.0
537.36597	2.3
551.40973	8.4
555.36768	6.7
556.37885	4.5
607.43481	60.7
607.53052	3.8
625.29309	3.8
625.44568	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61646	1.4
53.03931	4.8
55.01863	23.6
55.05236	1.8
55.05502	32.5
57.03427	10.3
57.07059	3.2
61.37786	1.4
65.03923	4.8
67.05492	65.3
69.03419	3.7
69.06683	3.6
69.07054	55.8
70.82242	4.9
71.04977	3.8
71.08616	2.3
79.05476	52.3
81.03407	4.3
81.07042	69.2
83.04962	9.2
83.08598	14.8
85.06519	3.5
91.05463	57.0
93.07026	53.5
95.01295	2.1
95.04961	12.2
95.08590	49.7
95.09196	3.3
97.06516	28.3
97.10146	6.4
98.20957	1.7
99.08109	2.6
103.05444	2.7
105.04493	1.6
105.07007	61.0
107.04942	10.1
107.08571	37.3
109.06487	9.3
109.10126	19.0
111.08076	4.5
113.09627	1.7
115.05460	2.7
117.07001	22.1
119.08556	50.8
121.06480	8.1
121.10123	20.0
123.08058	6.6
123.11697	5.5
125.09616	5.8
128.06207	4.1
129.06972	20.8
130.07863	1.7
131.08537	39.8
131.09442	2.6
131.64450	1.3
133.06483	3.5
133.10101	34.2
133.11015	2.9
135.08037	6.2
135.11664	16.4
137.09549	3.3
139.11183	1.7
141.06944	9.3
142.07771	3.7
143.08528	27.0
144.09114	1.6
145.06482	2.3
145.10089	34.2
147.08015	4.8
147.11650	24.8
149.09595	9.0
149.13290	5.6
151.11244	3.8
153.07001	1.9
154.07715	2.4
155.08560	14.7
156.09309	3.4
157.10094	21.9
159.08035	2.4
159.11665	29.6
161.09628	4.2
161.13226	14.5
163.11166	5.4
163.14914	2.3
165.06982	1.9
167.08566	6.8
167.88913	1.5
168.09309	2.9
169.10117	19.9
170.10883	2.2
171.08072	2.0
171.10272	2.4
171.11642	22.7
173.09583	1.9
173.13181	12.2
175.11111	1.9
175.14842	7.1
177.12758	2.9
179.14209	3.6
181.10121	10.0
182.10899	1.7
183.11652	18.1
185.09715	3.4
185.13194	17.5
187.11073	4.0
187.14796	10.1
189.12743	2.4
189.16405	2.0
191.14076	1.7
193.10100	4.7
195.11711	10.2
197.13251	11.3
199.11220	2.7
199.14809	11.8
201.12830	1.7
201.16405	2.5
203.14368	2.3
203.18033	2.1
207.11665	4.4
209.13202	10.2
211.14818	7.2
213.12732	2.1
213.16394	7.4
215.17934	2.7
217.15819	1.8
218.11024	1.6
221.13278	4.8
223.14891	4.9
225.16376	6.3
227.18044	1.9
231.21126	1.5
235.14796	3.5
237.16396	2.8
239.17924	5.7
241.15919	1.8
241.19524	9.8
243.17577	2.4
243.21140	2.6
245.18987	3.3
249.16481	2.2
253.19545	1.7
255.17590	1.8
257.19028	6.2
259.20566	13.1
261.16293	1.9
263.20126	2.6
271.20502	3.0
273.18503	5.5
275.20065	24.6
277.21655	3.4
282.87805	1.6
285.52206	1.5
289.21924	2.7
291.19595	2.8
293.21283	3.4
297.22052	2.6
311.23697	1.9
315.23090	3.8
323.23526	2.6
333.24268	10.7
341.24719	3.3
347.21930	2.1
349.23639	13.2
353.28519	2.2
381.27829	1.7
417.31369	1.7
421.30695	3.0
429.30078	2.2
435.32492	5.1
437.34042	6.6
439.32166	1.7
455.34772	2.1
475.36127	2.3
481.33353	2.2
495.35010	2.4
499.34033	1.5
501.36224	2.4
509.35840	2.8
511.37628	5.8
513.35486	8.6
515.38519	8.0
527.37524	8.3
529.38861	3.4
533.39917	12.4
551.40839	10.5
555.36523	2.3
556.38306	2.4
589.42511	2.6
597.44757	4.2
607.43445	53.6
608.43689	4.5
625.44501	100.0
626.44775	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.5
51.02354	0.6
53.03940	3.1
55.01859	6.0
55.05503	11.5
57.03426	18.4
57.07024	1.8
65.03939	3.7
67.05492	56.3
69.03428	2.8
69.07053	9.9
71.04985	3.0
74.82413	0.5
77.03856	0.5
79.05480	40.3
79.05918	1.3
81.03352	1.6
81.07043	35.2
81.35462	0.5
83.04960	3.0
83.08608	5.2
85.06528	14.2
91.05463	33.7
92.05740	0.6
93.07027	39.2
94.07317	0.6
95.04949	34.4
95.08585	24.9
95.16171	0.5
97.02878	0.9
97.06496	5.4
97.10116	2.1
99.08015	0.8
103.05405	0.9
104.21586	0.6
105.04457	1.6
105.07009	21.6
107.04942	8.0
107.08578	19.8
109.06499	52.4
109.10130	8.1
110.06805	0.8
111.04397	0.5
111.08030	2.1
113.05986	37.8
113.46576	0.6
115.05394	1.9
116.06225	0.6
117.06998	13.6
119.08560	14.6
121.06503	3.6
121.10131	12.8
123.08045	4.3
123.11662	1.4
125.09583	1.4
128.06198	2.8
129.06107	0.7
129.06981	6.4
130.07712	1.2
131.08537	17.8
133.06409	2.1
133.10107	10.3
135.08029	35.4
135.11656	10.3
137.05887	1.1
137.09564	1.5
141.06978	1.0
142.07722	1.2
143.08536	6.9
145.06409	1.2
145.10094	10.1
147.07999	4.8
147.11626	5.1
149.09589	5.7
149.13229	4.2
151.11128	1.0
155.08473	1.5
157.10100	5.9
159.08009	2.1
159.11668	7.5
161.09596	7.0
161.13217	2.9
163.11099	2.4
163.14682	0.8
165.09048	1.9
169.10065	1.6
171.11636	3.6
173.09566	1.1
173.13257	4.4
175.11131	2.2
175.14809	1.5
177.12683	2.1
179.14255	1.0
181.10117	0.9
183.11691	2.7
185.09569	1.1
185.13220	2.4
187.11182	1.4
187.14732	1.2
189.12695	1.3
189.16235	1.0
191.14244	0.8
195.11633	1.5
195.13702	1.9
197.13245	0.9
199.11177	1.5
199.14774	3.3
201.12694	1.6
203.14395	0.6
205.12132	1.3
213.12758	0.9
213.34857	0.5
213.39555	0.6
217.15831	16.2
219.13692	1.5
223.13203	1.0
227.17862	1.6
233.15320	2.7
237.16296	1.6
245.18912	2.3
251.16176	0.7
255.17424	3.7
257.18771	0.9
259.20480	0.7
261.22070	1.6
273.18442	33.1
275.20026	2.3
279.15860	0.9
291.19485	100.0
292.19852	2.1
309.20508	2.2
314.06656	0.6
317.24683	0.9
329.20724	0.6
335.25702	8.1
347.22083	4.4
365.23215	1.7
394.65894	0.6
419.44296	0.6
607.43390	3.9
625.44495	37.8
626.44696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01859	9.2
55.05502	24.4
57.03423	7.9
57.07056	3.1
59.04982	1.5
65.03920	3.1
67.05492	43.2
69.03422	2.8
69.07056	24.6
71.04979	4.3
79.05480	34.5
81.07041	44.9
82.07386	1.0
83.04971	4.0
83.08603	13.6
85.06530	3.7
91.05463	33.0
93.07026	33.4
93.07581	1.9
95.04942	7.2
95.08590	31.6
96.08879	1.2
97.06521	11.2
97.10152	11.1
99.08083	2.9
100.61693	1.0
103.05476	1.1
105.07010	34.6
107.04958	5.0
107.08570	22.1
109.06510	3.1
109.10139	19.1
111.08070	4.1
115.05437	3.0
116.06271	1.2
117.06994	15.9
119.08556	26.2
121.06485	2.5
121.10120	14.7
123.08081	3.4
123.11689	8.7
125.09591	6.6
128.06238	4.0
129.06981	14.9
130.07814	1.6
131.08549	26.0
133.00124	1.0
133.06424	1.5
133.10104	21.0
135.08046	4.2
135.11674	9.2
137.09644	2.4
139.11159	1.5
141.06932	5.3
142.07808	5.3
143.08551	20.6
145.06511	1.5
145.10103	22.2
147.08073	2.7
147.11653	13.7
149.09608	7.3
149.13252	4.1
151.11150	2.0
153.06911	1.8
153.12691	1.8
154.07845	2.0
155.08534	13.7
156.09337	2.4
157.10086	18.2
159.08066	1.3
159.11681	16.2
161.09653	2.2
161.13245	6.4
163.11145	3.6
165.06985	1.2
165.75233	1.1
167.08559	6.1
168.09206	2.4
169.10098	16.7
170.10838	1.8
171.10214	1.6
171.11655	16.2
173.09613	1.9
173.11786	1.5
173.13208	10.3
175.11256	2.0
175.14850	2.9
177.12668	1.8
179.08580	3.7
179.14330	1.9
180.09392	1.2
181.10072	10.8
182.10725	1.6
183.11661	17.8
185.09636	2.1
185.13258	11.7
187.11200	1.4
187.13380	1.8
187.14838	5.3
189.11244	3.5
189.16371	1.5
191.08620	1.2
193.10117	2.1
195.11676	7.1
195.13820	0.9
197.09747	1.2
197.13242	13.5
198.13916	1.5
199.11305	1.4
199.14793	8.0
201.16423	2.8
203.89110	1.0
207.11693	4.2
209.13174	8.2
211.14796	6.6
213.12888	1.8
213.16370	5.6
215.18008	2.0
217.15883	1.6
219.11804	1.6
221.13258	3.0
223.14775	4.8
225.16420	4.3
227.12798	3.8
227.18033	1.6
233.13257	1.4
235.14772	2.7
237.16414	3.0
239.17996	4.5
241.19569	6.0
243.15985	3.6
245.19089	1.2
247.20505	1.1
249.16371	1.9
251.14464	1.1
251.17938	2.9
253.19621	2.9
257.19061	3.4
259.20551	7.0
265.19522	1.2
267.21191	1.5
273.18494	3.9
275.20102	12.4
276.20325	2.3
279.21140	1.5
291.19571	1.9
297.22147	2.0
299.19653	1.1
301.21707	1.3
307.20889	1.2
309.22131	2.0
311.23630	2.4
315.23245	2.3
323.23581	1.3
327.23163	2.5
331.22406	1.3
333.24442	4.8
339.23016	1.2
339.26862	1.3
341.24820	1.9
347.22882	1.0
349.23587	5.1
351.22964	1.3
353.24692	1.5
355.26740	1.3
363.26624	2.3
365.28442	6.7
367.26324	1.3
379.30194	1.9
381.31714	3.5
383.29480	2.5
390.96820	1.0
391.30002	1.2
403.30112	1.5
405.31793	1.1
419.29138	1.5
421.30969	5.0
439.32074	3.2
459.32135	1.5
477.33560	1.4
487.39990	1.1
495.34726	4.4
497.36633	1.0
499.34280	1.4
505.39920	1.8
513.35681	21.3
515.38818	7.0
525.36102	1.4
527.37274	2.3
533.39740	11.2
551.40814	9.4
553.38684	2.0
555.36639	2.2
589.42371	2.4
597.45038	1.8
607.43451	51.6
608.43951	3.2
625.27631	2.6
625.44513	100.0
626.45129	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	626.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19169	2.1
53.03929	14.2
55.01859	14.4
55.05507	4.0
56.31735	2.2
57.03423	5.8
61.02908	7.3
63.71239	2.1
65.03922	3.2
67.05498	12.6
68.74773	2.1
68.99786	9.3
69.03420	42.0
69.07046	4.8
70.06572	3.3
71.01359	3.1
71.04987	7.7
71.21336	2.4
71.21690	5.2
73.02903	4.0
77.53606	2.2
79.05477	14.6
81.03407	87.3
81.07039	22.0
82.07378	3.1
83.04979	4.5
85.02894	72.6
87.00819	21.5
90.13927	2.4
91.05463	21.5
93.03391	5.4
93.07030	17.4
95.01328	5.3
95.04955	16.7
95.08582	14.3
96.08907	2.8
97.02872	29.4
97.06524	4.7
99.00771	3.2
99.04433	14.9
103.03938	5.6
103.05461	3.8
105.01852	13.8
105.03370	9.1
105.07011	25.7
107.04936	12.5
107.08574	12.2
109.02863	74.5
109.03615	3.7
109.06478	5.3
109.10131	8.7
111.04448	4.4
115.05457	7.7
117.06994	8.9
119.04906	9.1
119.08568	11.5
121.02824	18.2
121.06491	9.1
121.10139	5.7
123.04400	5.8
123.08100	3.3
123.11707	5.6
125.02351	4.1
127.03897	56.9
128.06221	7.6
129.01830	5.8
129.06978	22.0
131.04895	15.2
131.08549	28.4
133.06497	12.7
133.10088	3.4
135.04393	7.1
135.08064	2.4
135.11668	5.5
137.05978	5.4
139.03894	3.3
141.06967	9.1
142.07822	2.6
143.08560	15.3
145.02882	3.7
145.04971	6.4
145.06461	17.4
145.10098	9.6
147.04404	9.6
147.08028	9.8
147.11711	3.4
149.02303	2.9
149.05984	5.2
149.13240	3.2
151.11107	2.4
152.06155	4.3
153.01814	3.3
153.06998	3.9
155.08536	10.3
157.06473	21.6
157.10103	5.0
159.02885	3.6
159.04358	4.3
159.08022	23.0
159.11674	4.3
161.05925	11.1
161.09586	7.4
163.03906	6.4
165.05600	4.0
165.07024	8.9
166.07774	6.4
167.07120	4.5
167.08565	14.0
167.75908	2.3
168.09352	3.0
169.06496	6.0
169.10092	8.5
171.08017	10.7
173.05914	12.5
173.09612	5.0
175.07510	11.2
177.05498	5.4
177.09032	5.7
178.07745	6.6
179.08502	13.7
180.09288	3.0
181.06441	5.6
181.10052	11.4
183.08028	19.4
183.11667	5.4
185.05943	10.0
185.09598	9.1
187.03905	4.4
187.07506	7.5
189.03934	7.4
189.05458	4.2
190.07809	4.0
191.08554	4.6
192.09360	9.7
193.10100	12.2
195.08034	14.6
195.11661	11.7
197.05984	3.4
197.09573	13.2
199.07509	9.7
199.11214	7.4
201.05400	4.8
201.09094	17.5
202.07774	7.3
203.06992	8.4
203.08626	3.2
204.09317	3.8
205.06721	3.2
205.08452	4.3
205.10161	15.0
207.08025	10.2
207.11778	11.5
208.08780	3.1
209.09558	14.2
211.07535	10.7
211.11147	13.7
213.03926	8.9
213.09084	5.4
215.08569	5.9
215.10521	3.8
215.17877	2.8
216.09145	2.7
216.18266	3.1
217.10185	5.5
218.07271	13.7
219.08070	8.4
220.08850	6.7
221.09618	7.8
223.07735	4.8
223.11140	20.3
225.09099	5.4
225.12689	5.4
227.06822	2.7
229.08553	6.1
231.04848	14.0
232.08847	2.9
233.09579	37.9
235.07550	6.6
235.11162	23.7
236.08249	6.5
237.09055	8.6
237.12862	3.9
239.10654	5.4
241.08559	5.5
243.10153	12.6
245.07889	4.6
247.11287	3.7
249.09358	3.8
251.10628	31.7
251.17741	2.5
251.20107	7.5
252.20349	5.8
253.12149	9.7
255.10147	4.4
261.09103	12.8
263.10721	10.5
265.12207	5.2
267.10193	4.7
269.11734	11.0
275.10614	5.6
279.10114	39.6
281.08606	2.6
281.11591	11.6
283.09753	3.7
287.09055	4.5
293.11752	8.0
295.09521	3.4
297.11188	30.7
299.12796	4.9
307.09592	19.2
307.26312	2.8
309.11234	4.1
313.10596	5.0
315.08920	3.1
315.12219	9.1
318.06876	3.0
321.11032	3.9
325.10638	46.3
335.12845	3.5
339.12210	18.2
343.11707	51.5
351.12280	3.5
355.11783	3.1
361.12762	61.4
363.12195	4.6
367.11792	25.6
381.13251	23.3
385.12747	39.3
391.11798	3.1
397.12881	4.8
403.13937	5.4
405.13269	9.9
407.14832	5.6
409.12759	23.7
411.10828	3.4
423.14328	8.7
427.13824	91.4
433.12897	14.3
439.13586	4.3
451.13800	47.1
469.14996	28.4
487.15482	4.3
509.14499	2.8
511.16019	3.3
527.15576	12.0
529.16797	6.7
537.13965	14.6
545.16394	100.0
546.16827	2.8
555.14819	73.1
573.15906	66.5
591.16907	26.2
626.20135	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	626.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.8
55.05499	8.1
57.07059	6.2
59.05018	3.7
67.05504	26.0
68.94764	3.4
69.03408	9.6
69.07056	21.2
70.06586	4.8
70.73847	6.3
70.74187	5.0
71.04973	17.5
79.05478	10.8
81.03417	4.7
81.06602	6.8
81.07044	81.3
83.04999	3.8
83.08610	5.4
85.02900	16.4
85.06558	4.6
91.05474	5.9
93.07041	28.2
95.04987	4.9
95.08594	100.0
99.08107	4.4
105.01820	6.3
105.07012	16.1
107.04939	3.7
107.08585	24.8
109.10145	35.3
111.08083	19.2
119.08563	9.5
121.10154	18.1
123.04404	4.1
123.11684	52.7
126.89434	3.5
127.03899	5.6
127.11179	8.0
129.06938	4.3
133.06470	4.1
133.10104	6.9
135.11678	11.6
136.07608	4.2
137.05988	4.4
137.09561	6.0
137.13243	61.1
139.11040	3.5
145.10155	4.6
147.11664	11.5
149.13231	16.6
151.11189	3.6
159.11717	4.1
161.13210	4.8
165.12759	7.7
173.13388	5.0
175.11064	4.0
201.14810	4.6
203.17831	6.6
213.16315	4.0
219.17232	3.2
219.21185	5.1
237.18666	4.5
237.22058	7.3
271.24335	5.0
277.25192	22.7
287.05707	4.3
289.25183	21.8
295.26242	10.0
307.26282	91.8
325.27344	20.7
439.16534	3.7
627.28912	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
62.50976	2.7
68.99780	9.9
69.67791	19.5
85.02888	3.2
91.05488	3.1
95.01301	3.2
95.04936	3.7
97.05691	2.3
98.20753	2.2
98.65838	2.2
107.04973	2.4
107.41932	2.6
111.00787	5.0
111.04439	3.1
119.04916	7.7
123.04412	54.2
125.02346	4.2
127.03893	22.9
133.02921	2.8
135.04416	6.6
137.02280	3.2
139.03882	100.0
141.01845	4.3
143.68394	2.2
146.06032	2.9
147.04382	22.2
149.02339	6.4
150.03123	4.0
151.03891	28.8
155.03371	7.8
161.05974	2.8
163.03876	29.3
165.05447	9.9
167.03299	3.4
171.04498	3.2
173.05960	2.9
175.03862	6.8
177.05525	3.7
178.02556	5.4
179.03391	30.5
181.04953	3.7
187.03889	4.2
189.05426	4.4
191.03429	13.1
192.04276	2.7
193.04933	4.9
199.03940	3.3
201.05463	2.8
203.03375	9.9
205.04904	4.0
213.05377	2.8
215.03433	3.5
217.04953	7.8
219.02869	2.6
223.02377	8.3
227.03387	3.2
229.04897	7.6
231.02890	6.6
231.06537	4.3
233.04457	6.2
241.04936	3.6
243.06598	3.5
245.04388	20.1
247.06000	2.9
257.04370	19.8
261.03925	6.5
263.05408	13.3
269.04446	6.9
271.05966	6.5
273.03946	10.5
275.05588	7.5
277.07330	2.8
281.04303	3.3
285.03949	6.0
286.04559	4.2
287.05414	28.4
289.03363	3.8
291.04984	3.5
291.08536	5.9
298.04858	2.3
299.05469	7.9
303.04977	28.7
304.05487	4.1
305.06430	7.0
315.04980	5.7
317.06479	3.6
389.06348	2.8
395.07788	3.2
407.07526	3.8
423.06870	6.1
424.07968	6.5
425.08661	6.1
427.10086	5.1
435.07520	3.2
441.07928	4.9
442.08560	2.6
459.09546	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	627.1544
Annotation	Quercetin 3-gentiobioside
Peak:m/z	Relative Intensity
53.03928	0.7
55.01860	0.8
57.03416	1.5
61.02913	2.1
67.00845	0.3
68.99783	0.7
69.03419	5.3
70.85173	1.0
70.85529	0.6
71.04970	0.7
73.02901	0.7
77.81801	0.4
78.30928	0.4
81.03412	2.6
85.02888	24.2
86.03223	0.4
87.04440	0.9
91.03932	1.1
95.04901	0.3
97.02254	0.5
97.02876	8.2
99.04420	0.9
105.53421	0.4
108.37898	0.4
109.02863	2.8
111.00776	0.6
121.02821	1.0
127.03024	0.5
127.03896	5.2
137.02275	3.5
145.04929	5.0
149.02373	0.5
153.01817	4.1
161.06020	0.4
163.03893	0.6
163.05962	0.8
165.01834	2.0
166.02563	0.4
173.05980	0.6
183.02885	1.2
188.40681	0.4
201.05374	1.6
229.04927	4.4
233.08662	0.4
247.05942	0.9
257.04401	2.8
274.04608	0.9
285.03967	1.4
303.04938	100.0
304.05234	3.5
317.21713	0.4
345.06125	1.0
369.06427	0.4
419.62738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01853	0.3
57.03418	0.6
61.02922	1.3
62.30381	0.2
64.02931	0.2
68.99775	0.5
69.03418	2.3
69.71865	0.9
69.72298	0.9
72.79076	0.2
81.03403	1.4
85.02894	6.8
91.03885	0.2
95.04933	0.3
97.02881	2.2
98.21376	0.5
99.04447	0.3
109.02863	1.0
111.00769	0.8
121.02858	0.8
123.04420	0.4
127.03888	1.6
135.04427	0.3
137.02310	2.8
139.03893	0.4
145.04947	0.9
153.01805	2.7
161.05882	0.3
163.03870	0.5
165.01784	1.8
179.03508	0.3
183.02878	0.9
195.02908	0.4
201.05431	1.4
229.04945	3.8
247.05925	0.6
257.04416	2.5
274.04706	0.8
285.03882	1.5
286.03934	0.2
303.04947	100.0
304.05219	3.8
307.88223	0.2
434.51382	0.3
465.10239	5.9
473.65475	0.3
499.88788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01851	0.6
57.03424	1.4
61.02919	2.7
68.99772	0.4
69.03419	4.3
70.02448	0.8
70.02863	0.7
70.06567	0.5
71.04962	0.4
73.02919	1.1
81.03393	2.1
85.02889	20.3
86.68245	0.2
87.04439	0.5
91.03939	1.2
95.04962	0.3
97.02245	0.3
97.02873	6.2
99.04425	1.0
109.02856	2.1
111.00757	0.6
121.02845	1.0
123.04380	0.4
127.03896	5.3
137.02312	3.1
139.03870	0.6
143.49385	0.2
145.04924	5.6
145.21893	0.3
145.81287	0.2
149.02350	0.5
153.01807	3.8
163.03851	0.7
163.05965	1.0
163.07289	0.3
165.01839	1.6
173.05951	0.4
183.02855	0.7
187.03868	0.3
195.02818	0.4
201.05446	1.6
219.06540	0.3
224.11815	0.2
229.04944	3.8
247.06024	0.5
257.04413	2.7
274.04660	0.7
275.05405	0.3
285.03903	1.1
292.18082	0.3
302.04193	0.3
303.04938	100.0
304.05267	2.3
315.04984	0.6
327.05038	0.3
345.05862	1.2
369.05972	0.3
447.08801	0.4
465.10107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01847	0.5
55.98622	0.1
57.03411	0.7
61.02908	1.1
68.99778	0.4
69.03087	0.2
69.03413	2.4
70.81463	0.3
70.81820	0.3
71.04967	0.3
73.02888	0.5
79.14478	0.1
81.03404	1.1
84.92988	0.2
85.02885	7.6
87.04455	0.3
88.05689	0.1
91.03907	0.3
93.03403	0.3
95.04958	0.2
96.85945	0.1
97.02309	0.2
97.02873	2.5
99.04433	0.5
109.02856	1.3
111.00756	0.8
121.02858	0.9
123.04365	0.3
127.03896	1.8
135.04390	0.3
137.02313	2.5
139.03902	0.2
145.04921	1.7
149.02290	0.4
153.01793	3.3
163.03859	0.6
163.05981	0.3
165.01817	1.9
173.05936	0.2
183.02911	0.8
183.04233	0.2
187.03853	0.2
195.02863	0.3
201.05386	1.6
207.02901	0.2
207.06438	0.3
219.06543	0.4
229.04903	3.8
247.06024	0.6
257.04401	2.5
274.04773	0.7
275.05435	0.3
283.63892	0.2
285.03909	1.4
289.72232	0.2
303.04929	100.0
304.05261	4.1
319.04327	0.5
345.05994	0.3
465.10196	8.7
466.10355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1541
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
53.03940	0.7
55.01849	0.9
55.05473	0.7
57.03418	2.8
61.02912	0.5
67.05469	0.5
69.03399	1.7
69.07047	1.3
70.01679	1.6
70.02093	1.3
71.04607	0.9
71.04978	11.9
73.02918	0.5
75.04447	0.8
77.31760	0.5
77.79707	0.6
79.05457	0.9
81.03397	1.3
81.07050	3.0
83.04986	0.5
85.02888	18.5
93.07010	2.0
95.08575	2.1
97.02865	2.2
97.06461	0.5
99.18833	0.5
107.08559	1.6
109.02859	1.1
109.10140	4.1
109.91733	0.5
111.04422	0.7
115.53190	0.5
119.08527	0.6
121.02827	0.7
121.10088	1.1
127.03871	2.5
129.05441	3.3
135.11658	1.6
137.02342	4.3
139.00215	0.5
141.01767	0.5
144.06537	1.5
145.04906	1.8
147.06380	0.9
153.01823	1.9
153.12708	3.6
165.01802	0.7
165.09047	1.2
167.14136	0.5
169.01253	3.3
171.13774	2.8
181.01236	1.6
189.05492	0.6
199.03923	1.1
201.11142	1.0
217.05006	1.0
245.04439	2.5
257.04315	0.6
273.03827	2.8
278.19421	0.6
291.04575	0.6
301.03488	0.9
302.03799	0.8
303.04932	11.5
307.26324	1.0
319.04425	100.0
320.04715	3.5
325.27426	0.7
361.24417	0.7
401.47443	0.6
465.10455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01848	0.6
55.63304	0.2
57.03430	0.8
60.86389	0.2
61.02914	1.0
61.41200	0.2
65.16227	0.2
68.99780	0.4
69.03423	2.2
71.04974	0.2
71.69406	0.3
73.02903	0.3
81.03398	1.1
83.01324	0.2
85.02378	0.3
85.02894	6.4
87.04464	0.4
91.03887	0.3
91.55775	0.2
93.03371	0.2
95.04977	0.3
96.44118	0.1
97.02888	2.2
99.04411	0.3
107.89404	0.2
109.02845	1.0
111.00788	0.8
119.04954	0.3
121.02853	0.9
123.04401	1.3
127.03910	2.0
131.04904	0.3
135.04359	0.5
137.02319	2.8
139.03888	1.8
145.04945	1.1
147.04358	0.7
149.02390	0.4
151.03923	0.4
153.01807	3.3
157.06467	0.2
161.05989	0.5
163.03914	1.1
165.01820	1.9
166.02588	0.4
173.05960	0.5
179.03387	0.5
183.02844	0.8
183.04329	0.3
187.03868	0.2
191.03325	0.3
195.02853	0.4
201.05402	1.4
203.03343	0.3
205.04877	0.2
213.05420	0.2
217.05089	0.2
219.02815	0.2
219.06508	0.2
228.04193	0.3
229.04915	4.4
231.02863	0.2
245.04378	0.3
247.06041	0.8
247.95451	0.2
249.15775	0.2
257.04434	3.2
258.04993	0.2
273.03876	0.3
274.04703	0.8
275.05463	0.3
285.03903	1.3
287.05429	0.3
291.08621	0.2
303.04947	100.0
304.05261	2.5
312.78415	0.2
319.04425	0.3
345.06186	0.2
465.10263	6.6
466.10437	0.2
467.61322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2805
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.00539	0.6
51.56424	0.6
55.01864	0.8
55.05500	0.8
62.65114	0.7
65.03921	0.7
66.97015	0.6
67.05495	3.3
69.07053	1.2
69.40891	7.2
79.05476	2.1
81.03421	0.6
81.07049	2.3
91.05479	1.7
93.07036	1.3
95.04985	0.7
95.08571	1.5
98.21060	3.2
105.07053	0.7
107.08592	1.1
108.04526	0.8
108.08112	0.9
109.06593	0.6
119.08565	1.1
120.08002	0.6
121.10187	0.7
122.06061	0.8
129.07028	0.9
131.08629	0.9
136.07635	1.4
138.09160	1.0
143.08562	0.7
145.10149	1.0
146.09630	0.8
158.08395	0.7
159.09138	1.0
169.10094	1.1
174.09149	4.0
182.09668	0.9
187.08708	1.3
187.12308	3.4
188.09215	0.7
188.10663	3.2
190.04968	1.3
197.10764	1.4
198.09172	1.1
198.11501	0.9
200.09462	1.0
211.08701	1.7
212.09323	0.9
215.11858	3.7
223.08618	1.2
223.12239	0.9
224.09367	1.1
225.10255	2.6
225.13680	0.8
226.10852	1.4
227.11714	3.7
228.08716	0.9
235.08694	1.3
237.10219	1.3
238.10963	0.8
239.11723	3.6
240.12592	0.8
241.13338	2.7
243.11249	28.2
244.11603	0.9
249.10242	2.0
250.08560	1.0
250.11026	1.1
251.11827	1.7
253.09750	1.9
261.10422	0.7
263.11975	0.7
265.09845	1.6
267.11252	7.7
269.12894	2.1
277.09735	2.4
285.12512	3.3
291.11197	1.5
295.10806	3.0
295.14001	0.8
299.13885	2.0
301.15558	4.7
302.13062	0.8
303.05103	1.2
304.10922	1.1
309.12451	2.2
311.13608	0.9
313.12314	1.5
314.13004	2.1
315.13867	1.0
316.10898	1.8
316.14423	1.1
317.11560	0.9
319.10681	1.2
320.14368	1.0
325.15457	11.1
327.13309	8.3
328.10895	2.0
328.14447	1.8
329.11737	1.3
329.15244	1.1
330.12363	3.7
330.15985	1.5
331.13141	1.0
334.15497	1.8
340.10858	0.9
340.14560	1.1
341.11612	1.0
342.12329	4.4
342.15945	0.8
343.13123	3.4
344.13721	4.7
345.14935	1.2
346.15515	2.1
348.13162	3.6
351.13181	1.2
354.12323	1.2
355.13214	1.5
356.10327	0.8
356.13834	3.3
357.14655	1.7
358.15524	3.5
359.16187	0.9
360.17255	0.9
370.15588	2.6
372.17126	5.5
374.14874	1.2
384.17297	1.1
385.13681	0.9
385.18137	0.8
386.14847	1.9
386.18759	2.2
390.18420	1.2
398.15173	1.2
400.16577	2.5
403.16040	1.5
405.16833	0.9
406.14804	0.8
407.15186	1.0
412.16397	0.7
416.16010	1.8
418.18750	1.4
419.18484	1.8
420.16733	1.1
421.16760	1.2
430.17593	1.2
431.18503	2.7
432.19339	4.4
433.20343	0.7
435.14453	2.5
436.19748	1.0
437.20184	1.7
444.19315	0.9
445.20389	0.7
447.21799	3.0
449.15359	1.4
449.20493	1.0
450.16452	1.4
451.17682	2.8
460.18835	1.7
461.18295	0.8
461.23825	1.4
462.24164	2.8
463.21973	3.6
464.19055	1.3
465.18597	11.4
466.19669	2.1
477.19351	2.3
478.20114	2.6
479.20389	7.7
480.21509	4.8
481.21863	4.2
489.22693	2.1
490.21014	1.5
491.20721	1.4
492.21454	4.0
493.22812	5.2
494.22797	2.1
495.16553	3.5
504.21262	3.4
506.23123	1.0
507.24203	4.8
508.21036	1.2
517.22559	1.8
520.21344	1.6
535.23328	8.0
541.23981	1.0
549.24945	14.9
550.25269	1.5
552.24023	0.9
553.24603	2.8
563.22839	1.3
567.18872	3.8
567.25983	77.0
568.26147	4.4
577.24408	2.6
581.27747	0.8
595.25415	56.5
596.26001	3.5
609.26868	1.8
627.28052	100.0
627.44885	3.1
628.21185	4.1
628.28546	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	627.2805
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.05505	1.4
55.05483	3.6
67.05483	7.3
69.07050	3.3
69.34792	3.3
69.35193	15.4
79.05467	4.1
81.07047	8.1
83.71424	1.3
91.05451	5.3
93.07014	4.7
95.04951	2.0
95.08595	3.1
98.20774	4.6
98.21445	3.7
105.06996	4.1
107.08584	4.2
109.10171	2.1
109.33735	1.4
117.06967	2.0
119.08556	2.3
121.10128	2.2
131.07323	1.6
131.08525	3.4
138.09175	1.7
145.10083	2.4
148.71286	1.8
159.11621	1.8
174.09102	4.3
187.12251	4.8
188.10768	1.8
202.93411	1.7
215.11804	1.9
225.10231	3.6
227.11662	2.1
239.11836	2.9
243.11284	29.4
249.10184	2.7
253.09883	1.8
267.11249	6.7
269.12738	2.9
285.12238	2.2
293.12744	1.8
293.19653	1.8
295.10782	3.0
303.04764	1.5
309.12329	3.6
314.13019	3.5
325.15448	11.6
327.13644	3.8
328.10669	2.1
328.14227	1.9
330.12421	3.7
334.15222	3.3
342.12436	1.8
343.12976	1.7
344.13910	3.1
346.15460	3.2
348.13272	6.0
356.13922	3.5
357.14713	3.0
358.15335	2.7
370.15488	3.0
372.17020	5.0
386.18799	3.6
397.20190	1.9
400.16742	3.4
432.18982	4.4
437.19730	2.6
447.22226	3.3
450.16632	2.6
461.23926	1.9
462.24200	3.2
465.18585	17.9
466.19098	2.3
478.19659	2.5
479.20377	7.6
480.21265	6.2
481.22131	3.9
493.22598	2.7
494.21982	1.9
507.24414	7.2
508.20834	2.5
517.22101	2.8
535.23303	9.3
549.24896	18.4
553.24518	2.0
567.25946	94.7
568.26147	7.1
577.24493	2.5
595.25500	100.0
596.25531	6.1
609.26770	2.4
627.28046	48.0
627.44360	7.9
628.28418	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	627.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
55.01859	5.2
55.05496	10.8
57.03418	5.1
57.07059	6.2
59.04980	2.5
59.68904	2.2
67.05489	22.7
69.03419	13.5
69.07057	30.6
69.39813	27.2
70.06549	3.4
71.04612	3.2
71.04980	42.6
71.08620	3.1
72.05323	3.6
73.57894	2.6
79.05492	16.1
81.03375	7.4
81.07041	100.0
83.04967	3.9
83.08614	12.6
85.01128	3.0
85.02895	42.1
85.06534	16.2
86.03224	4.6
86.09704	2.7
87.00790	8.4
87.03329	2.3
91.05459	11.0
93.07033	59.3
95.04951	3.9
95.08591	53.8
96.25829	2.4
97.02855	9.7
97.06501	5.9
97.10139	3.9
99.08085	13.4
101.05972	4.9
105.01855	6.0
105.07017	23.6
106.02897	5.9
107.08574	52.8
109.02859	6.7
109.06480	7.4
109.10132	60.9
111.08063	10.8
111.11670	6.6
113.09645	3.9
115.07539	3.5
119.08556	23.9
121.02842	2.7
121.10118	67.0
123.08061	3.4
123.11688	56.1
124.03927	5.9
125.09624	2.6
127.03924	13.8
127.11185	15.2
129.05544	4.0
129.09094	6.7
129.34645	2.5
131.08432	3.1
133.10114	16.9
135.11664	31.3
137.09616	2.5
137.13191	11.9
139.11150	8.9
141.12709	6.5
145.04900	3.6
145.10130	3.4
147.11665	20.6
149.13220	33.6
151.11124	8.6
153.01791	8.2
153.12706	20.8
155.14261	2.6
157.12196	2.3
159.11665	8.1
161.13263	9.0
163.14774	6.8
165.12741	5.7
169.12218	11.2
171.13756	9.6
173.13211	3.8
175.14813	3.3
177.16371	7.0
179.14326	2.9
184.07382	3.1
187.14833	3.2
189.16360	25.8
191.17934	7.5
195.17357	3.3
201.16350	2.6
203.17940	15.4
207.04701	2.6
207.17418	9.8
211.16910	3.2
213.03491	2.6
215.17871	3.0
217.19455	3.5
221.19032	6.2
225.18475	42.7
229.04742	3.4
231.05121	3.1
233.18915	3.9
239.20062	13.5
251.19965	2.7
257.04468	3.0
259.24045	3.8
271.24094	7.2
274.04681	3.1
276.05283	2.7
277.25290	9.7
285.03952	4.9
289.25156	26.9
295.26245	20.9
302.04065	6.0
303.04553	10.2
304.04672	6.9
307.26263	73.7
308.26672	2.5
317.06488	70.8
318.06815	57.7
319.07077	71.6
320.07407	4.1
325.27271	33.1
329.06848	2.9
343.28497	3.0
427.61951	2.8
470.54675	2.6
521.70850	2.8
627.23944	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	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74717	2.2
53.03932	9.6
55.01863	30.3
55.05500	32.8
57.03424	13.0
57.07063	2.6
59.62572	2.1
62.40046	2.4
65.03949	5.6
67.05492	89.8
69.03416	3.5
69.07059	46.2
71.04984	3.4
71.49259	2.4
71.61762	2.7
71.62119	4.1
74.76781	2.5
76.25105	2.5
79.05480	71.6
81.03407	9.0
81.07045	100.0
83.04948	9.5
83.08599	9.5
91.05463	71.7
93.07027	69.2
93.07587	4.7
95.01316	6.7
95.04946	16.9
95.08587	59.1
97.06516	40.1
97.10123	3.5
99.08060	2.5
100.03935	3.2
105.07016	78.3
107.04939	19.3
107.08571	28.6
109.06496	8.0
109.10132	21.2
117.06997	19.2
119.08562	43.4
119.53973	2.5
121.06441	4.1
121.10133	23.2
123.08081	3.6
123.11713	3.0
125.09547	2.9
129.06961	4.8
131.08553	26.1
133.10107	37.4
135.11668	12.2
137.09589	4.5
143.08554	3.0
145.10114	20.0
147.07884	3.0
147.11679	12.1
149.09628	6.6
149.13251	4.7
155.08502	2.4
157.10168	3.2
159.11703	10.8
161.13281	4.3
163.11182	6.0
169.10106	2.7
171.11658	3.9
173.13307	3.6
177.12708	6.2
179.14276	10.8
187.11192	4.0
196.39320	2.3
219.17355	7.6
257.18991	3.0
261.22034	3.4
275.20013	50.4
291.19431	4.5
293.20844	5.0
335.25772	43.9
349.23740	9.4
361.73184	2.5
546.31549	2.5
596.77374	2.8
609.45142	34.9
627.45978	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	627.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96475	1.6
53.03927	6.7
55.01868	12.9
55.05502	33.3
57.03435	9.3
57.07062	4.4
58.28489	1.4
62.46087	1.4
65.03935	7.5
65.76525	1.5
67.05494	98.2
69.03400	2.8
69.07054	33.8
69.91940	9.5
71.04973	6.3
79.05479	79.4
81.03394	2.3
81.07043	100.0
83.04965	7.2
83.08607	18.6
85.06531	4.0
91.04930	1.1
91.05460	52.8
93.07029	70.1
95.04958	10.3
95.08588	63.6
97.06513	14.1
97.10152	11.5
98.20723	1.5
99.08052	2.4
101.85828	1.4
105.04498	2.1
105.07010	50.9
107.04931	11.4
107.08575	46.8
109.06493	11.2
109.10132	37.7
111.08073	4.3
115.05422	1.7
117.07005	20.7
119.08559	42.5
121.06487	3.8
121.10123	31.6
121.37841	1.3
123.08073	5.1
123.11676	13.0
123.59934	1.6
125.09591	9.6
128.06239	1.5
129.06976	6.7
131.08540	31.5
131.09451	2.4
133.10104	34.9
135.08066	9.1
135.11671	16.0
137.09596	5.9
137.13298	2.3
139.11165	3.0
143.08566	10.4
145.10091	28.1
147.07965	1.6
147.11652	25.2
149.09583	16.2
149.10498	1.5
149.13220	10.8
151.11160	3.3
155.08531	3.6
157.10091	10.1
159.11676	17.2
161.09589	2.1
161.13208	9.8
163.11174	8.0
163.14809	4.5
169.10123	4.8
171.11647	8.2
173.11812	2.4
173.13210	13.2
175.14874	5.7
177.12692	2.6
179.14375	1.8
181.10106	1.7
183.11707	6.3
185.13272	5.8
187.14854	5.7
189.11220	4.5
189.12784	2.3
189.16374	1.9
191.14366	3.1
195.11703	3.1
197.13312	5.8
199.14873	3.3
201.16260	2.8
211.14862	2.6
213.16385	3.8
215.17929	2.3
219.17416	1.9
227.12807	5.2
229.19490	3.8
233.19070	1.8
239.17998	3.7
241.19644	3.1
243.21013	2.1
247.20653	3.8
257.19040	12.1
259.20557	5.7
261.22122	9.7
275.20029	59.7
277.21619	3.1
293.21005	8.0
317.24713	3.1
333.24344	2.9
335.25754	41.4
349.23642	20.1
367.24930	2.0
401.23593	1.9
428.53149	1.7
501.35861	2.2
505.35031	2.2
515.37415	4.6
517.40527	3.7
535.41431	6.1
555.41473	2.5
609.45074	43.0
609.55035	2.5
627.46112	59.7
628.46606	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	6.7
54.94007	2.1
55.01855	10.3
55.05506	27.6
57.03425	7.6
57.07055	4.3
57.92990	2.1
65.03920	5.8
67.05137	4.1
67.05494	82.9
69.03413	3.0
69.07058	25.2
71.04982	2.5
71.70387	3.9
71.70766	2.2
79.05480	65.8
81.03392	3.3
81.07042	100.0
83.04955	5.6
83.08603	15.4
85.06535	4.8
85.08759	2.2
91.04916	3.8
91.05466	54.5
93.07028	60.2
94.18774	2.1
95.04959	13.0
95.05436	2.1
95.08595	47.1
97.06519	19.1
97.10131	9.4
99.08060	2.6
105.04494	2.7
105.07011	47.1
105.82000	2.3
107.04923	13.9
107.08576	44.5
108.00745	2.1
109.06494	11.5
109.10139	26.0
111.08050	5.7
113.52032	2.1
115.05436	3.7
117.07001	14.8
117.92920	2.2
118.06507	2.8
119.08562	38.9
121.06503	4.8
121.10131	27.7
123.07995	4.2
123.11684	8.0
125.09621	5.0
129.06969	5.2
130.07874	2.1
131.08525	27.3
133.06435	4.0
133.10100	29.3
135.07993	6.3
135.11650	13.3
137.09589	4.2
139.11177	4.4
143.08582	11.1
145.10104	26.0
147.07939	3.2
147.11650	19.3
149.09613	13.0
149.13210	8.5
155.08530	6.0
157.10075	9.1
159.11694	18.7
161.09561	3.2
161.13217	9.6
163.11168	7.6
165.12756	5.0
169.10097	4.9
171.11667	8.6
173.13263	11.0
175.11041	2.6
175.14813	3.2
177.12790	2.8
183.11673	4.6
185.13161	5.4
187.14778	6.7
189.11153	4.0
197.13193	2.5
199.14729	3.8
213.16327	2.7
230.15411	2.9
239.17921	3.4
243.21053	2.9
247.20549	2.6
257.18994	12.0
259.20502	2.4
261.22079	10.2
267.15802	3.0
275.20013	53.1
277.21475	3.2
283.40619	2.2
292.18915	4.9
293.21246	4.6
335.25790	33.9
349.23651	19.6
517.40033	2.9
535.41046	5.4
553.42084	2.7
609.44965	32.5
627.46234	47.5
628.41614	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	628.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.9
55.01865	6.5
55.05499	3.1
57.03431	6.7
61.02907	4.8
65.03891	1.3
67.05491	13.9
68.32906	1.3
68.99769	3.5
69.03416	27.9
69.07075	1.4
70.06573	2.8
71.04980	14.2
71.69353	1.9
73.02895	6.0
79.05474	2.8
81.03401	27.8
81.07044	9.9
81.80253	1.3
83.01344	1.3
84.04478	3.2
85.02888	73.5
86.03254	2.9
87.00816	19.7
87.04441	1.6
91.03928	1.4
91.05453	11.9
93.07015	3.6
94.58074	1.2
95.04934	3.8
95.08560	7.9
97.02872	61.5
99.04440	14.0
105.01846	27.0
105.06981	1.7
107.08572	2.1
108.04453	1.3
109.02857	33.9
109.10133	44.1
111.04410	2.5
115.03925	1.6
117.01834	3.2
119.08577	3.1
121.10127	3.6
123.04403	5.5
125.05985	3.7
126.05533	1.9
127.03887	60.6
129.01828	1.6
129.05435	2.2
135.08006	2.1
137.02304	4.4
137.05983	1.9
137.09589	79.7
138.02650	1.4
139.03876	2.5
145.04938	21.9
147.02872	2.5
151.03932	1.9
152.07056	1.4
153.01776	3.4
153.07416	1.2
155.10641	20.4
159.02867	7.7
161.05820	1.3
163.03899	2.0
163.07518	2.9
165.09077	57.2
167.07063	10.9
169.01318	1.5
183.10141	20.6
189.03853	1.4
193.08534	1.9
201.11182	100.0
202.11423	1.7
213.03889	7.5
219.12134	4.0
229.05072	1.9
231.04936	12.5
231.77957	1.2
246.04878	1.2
249.06018	5.0
276.37714	1.4
302.06879	1.5
303.04926	32.9
304.05276	18.7
305.05396	1.5
309.13199	6.6
319.04373	28.5
319.07870	1.8
320.04709	33.0
327.14246	9.6
339.07217	1.8
345.15341	3.6
395.13193	4.9
405.19040	2.1
407.07645	2.0
467.09595	8.2
491.98563	1.4
628.30444	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	629.2233
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.96545	0.5
69.37697	5.0
80.59752	0.5
80.82082	0.5
104.67112	0.5
147.08223	0.5
173.76167	0.5
279.28424	0.5
355.58792	0.5
373.27139	0.6
396.12283	1.6
397.12979	2.1
398.13416	0.8
399.14377	1.3
400.15146	0.8
409.13156	1.2
410.13675	3.0
411.14508	8.1
412.15216	5.7
413.16037	5.0
414.16336	0.6
423.14676	1.8
424.16013	2.8
425.16202	16.0
426.16855	11.6
427.17804	4.2
428.18503	5.2
437.11996	0.6
438.12415	4.4
439.13556	22.1
440.13416	1.3
440.19061	6.9
441.19235	41.9
442.19705	3.7
443.17282	0.7
449.16464	0.7
451.13455	0.6
452.14386	4.3
453.15271	23.5
454.15552	6.5
455.17014	1.2
456.17773	1.2
457.15100	1.1
463.13947	0.8
465.15442	1.0
466.16760	0.7
467.17123	26.1
468.17847	23.3
469.18741	12.0
470.19135	1.6
471.16656	2.2
472.17441	1.2
478.15796	0.7
480.16876	0.8
481.14478	9.7
482.15677	2.4
483.18408	0.5
484.22040	4.2
485.17825	2.5
486.19058	0.7
495.16666	1.9
495.20801	1.5
496.17053	15.5
497.17310	1.8
498.18875	2.1
499.19958	1.2
500.20444	6.0
509.18173	1.2
512.21222	3.2
513.22021	6.5
514.22192	1.0
523.19312	1.5
524.19788	0.8
526.18665	0.9
527.19403	0.7
528.19482	1.0
531.22009	0.6
537.18427	0.9
541.20813	52.2
542.21124	4.5
553.20874	1.5
554.17255	0.6
569.20203	100.0
570.20514	8.4
572.19116	1.2
573.23254	2.9
597.19592	29.4
598.19904	2.6
600.22198	2.0
601.22925	15.3
615.20502	1.1
629.22156	70.6
630.22620	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	629.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.3
53.21547	4.2
55.05507	29.7
57.03424	9.6
57.07056	9.6
61.62867	4.9
62.30256	4.2
67.05497	72.4
69.07063	31.7
71.08614	52.8
79.05486	69.7
80.05824	5.8
81.03392	5.1
81.07046	90.4
83.04955	10.2
83.08613	16.0
85.06560	5.1
85.10140	4.8
85.93346	4.4
91.05475	51.6
93.07028	77.5
95.04957	14.3
95.08588	63.6
97.06506	15.0
97.10133	5.8
99.08089	31.3
105.07024	47.4
107.04927	9.9
107.08584	44.0
109.06505	7.9
109.10126	19.3
117.06983	14.4
119.08597	28.3
121.10136	40.4
123.37824	4.7
123.43452	4.8
129.07019	7.4
131.08539	23.4
133.10112	20.1
135.08057	7.1
135.11688	25.4
135.85182	5.9
137.13165	4.8
143.08533	6.0
145.10094	22.2
147.11603	15.1
149.09622	6.4
149.13231	14.0
151.11177	14.5
157.10110	9.2
159.11646	15.9
161.13232	13.2
163.11147	9.6
171.11707	5.8
173.11862	5.3
173.13240	9.4
175.14832	8.8
179.14287	45.6
185.13278	7.9
199.14697	5.0
243.20990	16.6
254.94160	4.9
259.20718	6.0
261.22073	15.0
271.24292	4.9
273.18536	5.8
275.20053	6.5
276.20557	8.2
277.21594	50.9
291.19516	8.0
317.24799	8.7
335.25699	40.8
336.26315	6.3
349.13937	5.0
351.25290	39.5
369.94415	5.5
439.35608	11.2
513.39056	14.3
515.37152	7.9
519.41443	6.5
548.06152	5.0
588.48260	5.5
597.26636	6.6
611.46606	100.0
612.46741	5.7
629.29297	10.5
629.47394	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	630.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	9.3
58.06572	2.6
65.03927	1.1
67.05488	1.6
69.03401	0.8
69.07023	0.8
70.06577	20.9
71.08616	2.3
71.69254	0.7
71.69672	1.1
74.06019	0.8
77.02959	0.8
85.02874	1.1
85.10188	1.4
88.07616	25.0
91.05469	0.9
95.04894	0.9
98.21130	1.0
102.09164	18.8
103.42684	0.8
116.35966	0.7
121.02798	0.9
139.03865	1.0
147.04430	1.3
149.02316	45.7
150.02695	0.9
175.03967	1.0
177.05452	1.7
193.04941	50.2
219.06490	1.7
228.23189	56.6
229.23592	1.6
237.07524	15.2
269.04404	1.2
272.25876	1.2
297.03934	2.9
306.22986	0.7
313.07022	2.3
341.06534	12.6
359.07562	6.6
385.09171	20.0
385.13919	1.6
386.09879	1.0
397.19382	0.9
429.11774	30.8
430.12112	1.5
612.31592	1.6
630.32605	100.0
631.33093	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	631.3292
Annotation	Isogambogenic acid
Peak:m/z	Relative Intensity
55.05495	0.4
62.53997	0.3
67.05502	0.6
70.06585	0.5
71.69048	0.3
71.69450	0.5
79.05489	0.5
81.07041	0.7
85.02896	0.9
90.53713	0.4
91.05472	0.5
93.07011	0.4
95.08610	0.7
105.06987	0.4
107.08614	0.5
109.02922	0.4
121.10093	0.4
137.06007	0.5
145.10077	0.3
162.05530	0.3
166.27328	0.3
203.05328	0.4
215.11171	0.4
221.54102	0.3
236.09323	0.4
245.06331	3.4
289.05255	3.6
290.05478	0.3
294.13855	0.3
317.23596	0.4
335.24210	2.2
347.25662	1.1
349.27396	0.5
365.26526	15.3
366.26926	0.5
368.20944	0.3
377.25711	0.4
383.27594	12.2
384.28171	0.7
398.31149	0.4
425.27716	0.6
527.31641	1.8
545.32849	9.3
546.33167	0.5
569.32990	1.6
587.33881	22.3
588.34302	1.0
613.22394	0.5
613.31738	3.2
631.32910	100.0
632.33154	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	632.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.05497	7.1
57.03423	4.3
59.04974	2.3
61.02922	2.0
64.87553	1.5
66.39503	1.3
67.05137	2.9
67.05490	48.6
69.07039	4.4
70.06567	5.9
71.04974	2.6
71.68890	2.1
79.05477	20.7
81.03384	2.8
81.07043	15.7
83.04952	4.5
83.08606	4.5
85.02876	2.2
85.06512	2.4
91.05461	20.0
93.07032	27.1
95.04934	6.5
95.08573	11.1
97.06490	1.7
105.07011	12.2
107.04919	1.9
107.08557	6.1
109.10133	39.3
111.08023	2.1
112.91278	1.8
117.06969	4.3
119.08545	11.8
121.10115	2.3
129.06950	6.1
133.10085	4.4
143.08565	2.9
145.10132	2.1
147.11696	14.7
149.02286	2.0
161.13251	4.6
171.11638	9.6
173.11719	9.0
189.12662	3.9
207.13777	11.3
229.14322	27.4
229.23532	1.7
281.17462	24.5
282.17938	1.7
402.08371	1.5
435.27356	100.0
436.27597	2.1
497.97650	1.4
632.33008	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	633.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
55.01857	2.7
58.78282	1.0
65.03926	1.2
66.77211	1.1
67.05506	2.2
68.99776	2.5
69.03417	2.0
69.68758	2.5
69.69166	7.1
70.06576	1.7
79.05467	5.6
81.03397	1.8
81.07039	1.9
82.61610	1.0
83.04955	1.9
91.05457	6.9
93.07023	3.6
95.04949	3.9
98.21373	2.0
101.27106	1.0
105.03392	2.2
105.07035	4.6
107.04939	4.5
107.08624	1.1
109.02882	1.9
109.06509	1.4
111.04427	1.4
115.05464	2.5
117.06998	5.6
119.04971	5.6
119.08538	2.3
123.04410	63.8
128.06206	2.3
129.07004	3.7
131.04941	1.7
131.08594	5.5
133.02760	1.2
133.06500	2.3
133.10088	2.6
135.04436	3.6
139.03868	7.2
140.04214	1.3
141.01796	2.0
141.06976	2.8
142.07793	2.5
143.08556	5.4
145.06438	3.3
145.10130	2.9
147.04379	11.4
149.05983	1.2
151.03877	8.1
153.01758	1.4
153.05476	1.2
153.06880	1.2
154.07726	2.3
155.08575	3.5
157.06514	2.1
157.10101	8.4
159.04387	1.5
159.08028	2.8
161.05933	3.4
161.09604	3.3
163.03883	7.8
165.01845	4.7
165.05437	4.1
167.03351	1.3
167.08527	14.4
169.06442	1.6
169.10120	5.3
170.07285	1.6
171.08044	1.4
173.05978	4.5
175.03931	3.4
175.07579	1.3
177.01842	2.3
177.05484	5.9
179.03464	1.1
179.08496	1.7
181.10144	2.1
183.02913	5.6
183.08043	2.0
185.06024	2.1
185.09570	14.5
187.03859	1.9
187.11197	2.4
189.05466	4.4
193.10207	1.2
194.97501	1.2
197.09566	1.7
199.07553	1.8
201.05428	18.6
203.07034	4.3
203.10666	2.0
205.04919	11.2
205.10097	3.6
207.06429	1.9
207.11716	2.2
213.05438	6.5
213.09071	1.6
217.04922	2.9
227.07001	1.2
229.04903	14.1
229.08516	1.4
230.05635	1.7
231.06458	5.3
231.10182	4.8
233.04404	1.7
233.34003	1.1
235.11168	1.2
241.04929	4.3
241.08554	1.3
242.05562	1.4
247.11243	1.2
249.11218	9.1
251.10721	1.3
255.06496	1.5
269.07993	1.1
273.07477	6.1
282.08136	1.4
285.07562	1.5
293.08154	1.4
297.07339	1.5
297.11252	1.2
301.12320	1.7
305.11578	1.2
309.07297	1.8
317.11536	1.3
321.11258	1.4
327.10275	1.6
335.09088	2.8
343.13416	5.1
351.48172	1.2
353.11411	2.7
363.08466	5.9
368.99472	1.3
371.12625	9.4
373.14249	2.2
379.15253	1.4
381.09647	3.0
389.13965	1.7
407.14874	4.4
417.13437	6.8
425.16263	1.8
435.14343	12.6
447.14319	1.8
453.15308	16.6
465.15244	6.3
481.14890	100.0
482.15277	4.5
493.14883	9.0
505.15082	8.5
569.18127	3.4
587.19012	9.3
605.20123	2.5
615.18304	8.9
633.20007	18.2
646.92950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44247	0.5
53.03928	0.6
55.01850	1.3
60.55087	0.6
65.03916	2.1
67.05482	2.0
68.45356	0.5
68.99765	3.0
69.03421	0.8
69.47083	2.3
69.47517	3.2
75.29322	0.6
77.03894	0.7
79.05465	3.6
81.03407	3.8
81.07058	1.3
83.04985	1.0
85.02898	0.8
89.03877	1.0
91.05478	3.6
93.03384	1.7
93.07027	1.4
95.04968	3.8
95.08599	0.9
97.02822	0.8
105.03336	1.3
105.07047	3.4
107.04916	3.7
107.08575	1.5
109.02863	3.5
109.06504	0.7
111.00771	0.8
111.04427	9.9
115.05413	1.3
117.03411	0.8
117.07011	3.6
119.04935	1.4
119.08541	0.9
121.02857	1.5
121.06470	1.3
123.04408	36.9
125.02347	0.6
127.03902	8.9
128.06218	1.9
129.06992	3.1
131.04906	2.5
131.08577	3.0
133.02809	0.6
133.06506	1.4
133.10092	1.2
135.04393	28.4
137.02348	1.8
137.05994	0.6
139.03879	46.7
141.06985	2.3
143.08502	4.7
144.09164	0.5
145.06459	2.3
145.10121	3.4
145.11122	0.5
147.04346	1.9
147.08047	1.0
149.02316	3.8
149.05983	2.6
151.03876	11.3
153.01784	3.6
155.04913	1.3
155.08542	1.3
157.06445	1.6
157.10101	2.2
159.04460	1.2
159.08011	2.4
159.11719	0.7
161.05911	2.2
161.09605	2.3
163.03886	17.0
165.01778	1.0
165.06952	0.9
167.08534	3.7
169.06480	1.4
169.10088	2.1
171.04436	1.1
171.08066	0.7
173.05986	1.8
175.07620	0.7
177.05463	2.2
179.03398	1.8
179.08485	0.8
181.06439	1.2
181.10126	1.3
183.08011	2.1
183.11652	0.7
185.05949	1.8
185.09630	4.6
187.11189	0.7
189.05492	1.9
189.09085	0.8
191.07042	0.6
193.10132	1.4
194.10956	0.8
195.08035	0.7
195.11662	1.1
197.05986	1.5
199.07501	0.7
201.05382	3.7
202.06239	0.8
203.03436	1.3
203.06995	2.6
203.10690	1.1
205.04956	2.0
207.10028	0.6
209.06049	1.1
209.09549	0.7
209.13266	0.8
211.07532	1.0
211.11150	0.8
213.05495	1.9
215.07043	2.1
216.04086	1.0
217.04947	1.3
219.06396	1.0
220.08932	0.8
221.09531	1.6
222.10594	0.8
225.05385	0.7
227.07005	2.7
229.04926	17.3
229.08450	1.0
230.05582	1.8
231.06508	6.3
231.10066	1.0
233.09584	0.9
235.11200	1.6
237.05511	1.0
237.08899	0.6
237.12794	1.5
239.07039	0.7
241.04715	1.2
243.06482	2.3
247.05998	23.3
247.11168	0.9
249.11140	4.1
253.05023	0.9
255.06430	2.9
257.07947	0.7
259.05981	4.1
261.07614	4.2
263.10568	1.3
265.12271	1.2
269.08148	0.8
271.05911	9.4
281.11517	0.8
283.13339	2.0
287.05362	1.2
289.07013	19.2
297.11255	0.7
299.12689	1.5
300.79520	0.6
309.11090	0.7
311.12897	1.3
317.13861	2.6
329.13947	2.1
343.11847	0.7
355.11694	20.2
357.13419	3.9
385.12723	1.3
407.15088	0.8
409.16397	1.2
419.15002	1.3
435.14471	1.8
447.14453	1.3
453.15375	6.1
461.15775	0.9
465.15460	9.5
479.16995	2.0
481.14880	100.0
482.15433	3.2
483.16165	1.7
489.14993	0.7
493.14777	2.5
495.16995	0.7
505.15005	2.1
569.17676	0.7
587.19025	1.5
615.18555	2.1
633.19305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01578	0.1
51.02372	0.2
53.03941	0.2
55.01851	1.0
55.05507	0.2
65.03928	0.8
67.01851	0.2
67.05495	1.7
67.97659	0.1
68.99442	0.1
68.99783	1.3
69.03410	0.3
69.07044	0.2
71.04970	0.1
71.69907	0.1
71.70296	0.2
75.90647	0.1
77.03920	0.2
79.05474	0.3
81.03405	0.4
81.07033	0.4
83.04975	1.0
85.02898	0.5
85.53432	0.1
91.05463	1.1
93.03387	0.9
93.07071	0.2
95.04951	2.8
95.08589	0.3
97.02870	0.4
99.04414	0.1
105.03371	0.3
105.07002	0.5
107.04954	0.4
107.08591	0.2
109.02849	0.1
109.10127	0.2
111.00776	0.2
111.03738	0.2
111.04434	2.2
115.05381	0.6
119.04920	3.6
119.08600	0.2
121.02857	0.4
121.10084	0.1
123.04407	50.2
124.04730	0.3
125.05922	0.1
127.03893	1.3
131.04866	0.3
131.08530	0.3
133.06470	0.5
133.10172	0.2
135.04395	1.2
135.08057	0.1
135.11636	0.1
136.04706	0.2
137.02324	0.5
137.05914	0.8
139.03874	100.0
140.04202	1.0
143.04895	1.5
143.08578	0.2
145.06409	0.1
145.10089	0.2
147.04379	15.5
148.04810	0.1
148.18539	0.1
149.05972	0.2
150.22522	0.1
151.03886	2.9
151.07495	0.3
153.05460	1.1
155.08513	0.1
157.10139	0.1
159.04457	0.2
159.07979	0.2
159.11646	0.1
161.05948	5.8
161.09598	0.2
162.06477	0.1
163.03883	1.5
163.07480	0.2
165.05450	13.4
167.08559	0.2
169.04942	1.6
169.10121	0.1
171.04446	0.1
171.08025	0.2
173.09555	0.1
177.05440	0.7
179.03423	0.1
179.05544	0.2
179.07004	2.1
179.08368	0.1
181.05009	0.6
181.06366	0.2
185.05986	0.3
185.09634	0.2
187.99698	0.1
189.05440	1.6
203.07008	0.3
205.08699	0.3
207.06494	6.2
213.05547	0.1
227.06955	0.1
231.06509	0.2
242.28951	0.1
249.07501	0.7
255.06429	0.2
273.07541	2.7
288.31461	0.1
289.06924	0.2
291.08572	44.6
292.06128	0.1
292.08679	0.5
299.12845	0.3
300.12878	0.2
317.13840	0.5
318.14233	0.1
329.13840	0.2
357.13251	0.5
368.27948	0.2
369.28162	0.2
371.20926	0.1
386.29309	0.1
463.85403	0.1
467.16864	0.1
479.16241	0.1
483.15991	0.5
576.72601	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	635.2851
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
56.81559	1.4
69.37862	8.5
69.38292	8.3
92.90932	1.4
98.20718	2.5
115.99826	1.6
211.87851	1.5
228.05118	1.6
324.89349	1.5
383.65894	1.6
403.19528	1.8
431.18539	4.9
445.20398	5.0
547.26886	2.7
575.26221	10.6
617.47711	1.9
625.08856	1.8
635.28516	100.0
636.28754	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	635.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.3
53.03943	14.8
55.01856	6.7
55.05501	31.0
57.03430	11.2
57.07067	1.6
61.65662	1.6
65.03925	5.8
67.05494	53.7
69.03419	24.1
69.07056	15.9
70.05601	3.5
70.06005	7.0
70.06593	1.4
71.04986	12.0
74.36092	1.8
75.75255	1.5
79.05479	78.3
81.03405	100.0
81.07041	53.7
83.04969	27.2
83.08614	17.4
85.02892	19.0
85.06512	4.3
87.04482	1.9
91.05467	75.4
93.07030	65.1
95.04953	39.7
95.08587	27.2
97.02881	18.1
97.06535	8.8
97.10154	6.7
99.04427	7.9
99.08075	2.6
103.05460	2.7
105.07011	49.5
107.04940	15.3
107.08575	22.6
109.02849	18.6
109.06521	9.9
109.10151	10.6
111.04426	14.6
111.08080	9.0
115.05460	4.4
117.06989	16.0
119.04991	1.6
119.08555	32.7
121.06480	7.1
121.10123	16.1
123.04415	2.3
123.08055	8.1
123.11706	4.0
125.09654	3.2
127.03910	15.0
128.06233	6.2
129.05508	1.9
129.06985	29.1
131.04970	2.8
131.08539	16.9
133.06485	6.5
133.10112	15.9
135.08072	3.1
135.11690	5.9
137.09599	2.4
139.03915	1.6
141.06969	2.9
142.07759	3.1
143.08536	12.7
145.06474	4.5
145.10109	16.0
147.04387	1.7
147.08025	6.3
147.11674	38.1
149.09607	5.8
153.12746	3.8
155.08502	4.8
157.06406	2.9
157.10114	12.2
159.08018	3.6
159.11734	2.2
161.09604	4.3
161.13206	13.0
163.11179	5.5
165.12762	4.9
167.08440	1.9
169.10162	2.7
171.08093	2.7
171.11671	22.5
173.04457	5.5
173.09607	3.0
173.13321	1.8
175.11214	6.7
181.09993	2.3
181.12263	5.1
185.09630	1.8
185.13315	3.6
187.11131	1.9
189.12755	8.7
191.10715	5.4
193.10521	3.1
193.12216	28.5
199.11186	1.8
207.11864	2.0
207.13792	26.1
211.13246	45.7
211.15141	3.1
213.12732	1.7
225.14851	2.6
227.12610	8.1
249.14859	2.0
255.13937	1.9
267.15875	7.8
269.15421	3.8
273.15039	1.8
281.17465	18.7
283.15265	2.8
285.17038	4.7
287.16519	3.3
333.16794	2.8
337.16522	4.3
355.17529	7.1
389.19336	2.3
399.25760	2.2
411.20053	6.1
420.90192	1.7
473.28934	14.6
491.29932	13.0
599.32495	3.0
617.33270	6.5
635.34149	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	636.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
53.89602	1.1
55.01860	5.9
55.05506	6.0
57.03397	1.9
57.07050	1.9
59.04997	2.0
61.02913	2.3
67.05492	10.7
68.93157	1.5
68.99787	2.5
69.03424	23.8
69.07055	6.8
69.39319	15.4
70.06564	2.3
71.04999	6.9
73.02910	4.1
79.05492	7.8
80.49718	1.1
81.03405	14.9
81.07040	19.3
83.04971	7.3
83.08597	2.8
85.02888	29.7
85.06551	3.1
86.09682	1.9
87.00814	10.1
91.05460	8.2
93.07029	16.2
95.04946	7.4
95.08597	17.3
97.02884	18.1
97.06514	3.9
99.04437	8.5
105.01854	7.1
105.07004	14.6
107.04934	1.9
107.08578	19.1
109.02850	12.6
109.06513	5.4
109.10143	20.5
111.08076	2.0
113.09680	1.5
117.01792	1.6
117.06996	2.4
119.04922	2.6
119.08549	16.0
121.06474	3.9
121.10119	23.3
123.04420	21.3
123.08044	7.5
123.11664	7.2
124.04758	5.9
125.09591	8.0
127.03887	19.3
127.07500	1.6
131.08562	7.4
133.10104	16.5
135.04410	1.7
135.08029	4.4
135.11687	5.2
137.05998	1.8
137.09595	22.1
139.03879	38.9
139.11183	4.6
140.04193	12.0
141.09087	1.7
143.08580	4.8
145.04921	8.4
145.10103	12.4
147.04407	8.4
147.08041	5.0
147.11658	9.5
148.04750	1.7
149.09605	17.6
149.13226	1.9
151.07539	1.6
151.11171	6.2
153.09033	1.3
155.08638	1.7
155.10683	4.1
156.09258	1.4
157.10141	8.5
159.02853	11.4
159.08073	5.2
159.11687	7.3
161.05965	2.4
161.09602	9.3
161.13316	2.2
163.03915	1.6
163.07483	1.9
163.11128	4.9
165.05466	6.3
165.06665	1.3
165.09091	4.7
166.05756	3.2
167.10678	4.8
169.10202	2.7
171.11662	5.6
173.09625	7.1
173.13298	6.0
175.11133	11.9
175.14688	3.1
177.09071	5.4
179.07071	1.5
179.10652	3.9
183.11629	2.2
185.09564	3.9
185.13231	5.3
187.11142	2.5
187.14816	7.8
189.12724	1.7
191.10625	3.2
193.12247	1.9
197.11678	1.8
197.13310	3.0
199.11224	1.5
199.14799	6.9
201.12720	4.8
201.16368	5.2
203.14346	3.7
208.06998	1.4
211.14774	1.7
213.12769	4.3
213.16386	2.4
215.14334	4.5
217.15866	3.2
219.17433	3.4
227.14310	3.8
229.15904	4.7
231.05022	2.7
231.17232	1.5
233.15318	3.0
239.14229	1.8
241.15689	1.6
245.15424	5.8
247.16861	2.6
253.19560	1.7
257.19031	3.0
263.16324	2.8
271.20636	8.6
275.19913	2.6
281.18808	6.2
289.21588	5.6
291.08566	13.1
292.08987	11.1
295.18912	2.0
299.20001	25.3
317.17249	1.4
317.18347	1.0
317.21057	51.4
335.22125	100.0
336.22559	2.0
338.21912	1.4
353.23190	56.9
353.27557	3.1
355.23016	1.3
355.57544	1.4
370.89740	1.4
378.35831	1.5
601.28333	7.1
636.37897	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	636.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
53.89602	1.1
55.01860	5.9
55.05506	6.0
57.03397	1.9
57.07050	1.9
59.04997	2.0
61.02913	2.3
67.05492	10.7
68.93157	1.5
68.99787	2.5
69.03424	23.8
69.07055	6.8
69.39319	15.4
70.06564	2.3
71.04999	6.9
73.02910	4.1
79.05492	7.8
80.49718	1.1
81.03405	14.9
81.07040	19.3
83.04971	7.3
83.08597	2.8
85.02888	29.7
85.06551	3.1
86.09682	1.9
87.00814	10.1
91.05460	8.2
93.07029	16.2
95.04946	7.4
95.08597	17.3
97.02884	18.1
97.06514	3.9
99.04437	8.5
105.01854	7.1
105.07004	14.6
107.04934	1.9
107.08578	19.1
109.02850	12.6
109.06513	5.4
109.10143	20.5
111.08076	2.0
113.09680	1.5
117.01792	1.6
117.06996	2.4
119.04922	2.6
119.08549	16.0
121.06474	3.9
121.10119	23.3
123.04420	21.3
123.08044	7.5
123.11664	7.2
124.04758	5.9
125.09591	8.0
127.03887	19.3
127.07500	1.6
131.08562	7.4
133.10104	16.5
135.04410	1.7
135.08029	4.4
135.11687	5.2
137.05998	1.8
137.09595	22.1
139.03879	38.9
139.11183	4.6
140.04193	12.0
141.09087	1.7
143.08580	4.8
145.04921	8.4
145.10103	12.4
147.04407	8.4
147.08041	5.0
147.11658	9.5
148.04750	1.7
149.09605	17.6
149.13226	1.9
151.07539	1.6
151.11171	6.2
153.09033	1.3
155.08638	1.7
155.10683	4.1
156.09258	1.4
157.10141	8.5
159.02853	11.4
159.08073	5.2
159.11687	7.3
161.05965	2.4
161.09602	9.3
161.13316	2.2
163.03915	1.6
163.07483	1.9
163.11128	4.9
165.05466	6.3
165.06665	1.3
165.09091	4.7
166.05756	3.2
167.10678	4.8
169.10202	2.7
171.11662	5.6
173.09625	7.1
173.13298	6.0
175.11133	11.9
175.14688	3.1
177.09071	5.4
179.07071	1.5
179.10652	3.9
183.11629	2.2
185.09564	3.9
185.13231	5.3
187.11142	2.5
187.14816	7.8
189.12724	1.7
191.10625	3.2
193.12247	1.9
197.11678	1.8
197.13310	3.0
199.11224	1.5
199.14799	6.9
201.12720	4.8
201.16368	5.2
203.14346	3.7
208.06998	1.4
211.14774	1.7
213.12769	4.3
213.16386	2.4
215.14334	4.5
217.15866	3.2
219.17433	3.4
227.14310	3.8
229.15904	4.7
231.05022	2.7
231.17232	1.5
233.15318	3.0
239.14229	1.8
241.15689	1.6
245.15424	5.8
247.16861	2.6
253.19560	1.7
257.19031	3.0
263.16324	2.8
271.20636	8.6
275.19913	2.6
281.18808	6.2
289.21588	5.6
291.08566	13.1
292.08987	11.1
295.18912	2.0
299.20001	25.3
317.17249	1.4
317.18347	1.0
317.21057	51.4
335.22125	100.0
336.22559	2.0
338.21912	1.4
353.23190	56.9
353.27557	3.1
355.23016	1.3
355.57544	1.4
370.89740	1.4
378.35831	1.5
601.28333	7.1
636.37897	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	636.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03934	2.8
55.01867	1.8
55.05503	10.7
57.03431	10.3
59.04989	3.7
61.02919	4.2
65.03916	1.6
67.05495	66.1
69.03417	3.8
69.07067	6.1
70.77959	2.9
71.04990	6.3
73.02901	1.2
79.05479	10.7
81.03406	34.3
81.07047	22.7
81.48481	0.8
83.04965	7.4
83.08607	15.8
85.02888	17.4
85.06525	3.4
88.45479	1.0
91.03942	2.1
91.05468	18.6
93.07034	13.1
95.04956	15.3
95.08582	10.0
97.02882	5.1
97.06521	2.2
97.10172	2.5
99.04474	1.7
99.08095	1.5
105.07014	11.3
107.04913	4.1
107.08567	6.9
109.06505	3.3
109.10140	58.7
111.04429	2.6
111.08053	7.3
111.42313	0.9
113.05977	1.3
115.26182	0.8
117.06987	1.2
119.08560	14.7
120.08107	0.9
121.06576	1.0
121.10126	5.5
123.08030	1.5
123.11664	1.0
125.09633	1.2
127.03898	2.4
127.07536	1.1
127.11170	1.5
129.06979	5.7
131.08551	6.7
133.06506	1.3
133.10129	8.6
135.08023	0.9
135.11658	2.1
137.09607	3.6
137.16684	0.9
142.07762	1.7
143.08533	0.9
145.10120	1.7
147.08038	1.3
147.11684	10.4
149.09607	4.8
151.11156	1.7
155.10617	2.5
157.10060	9.4
157.11194	0.8
159.11678	1.2
163.11174	1.0
165.12730	2.7
173.11717	17.1
173.13040	1.0
175.11189	8.0
184.03500	0.9
193.12238	26.6
193.13991	1.6
202.46883	1.0
211.13269	37.6
229.14319	62.0
256.22495	0.8
260.63074	0.9
267.15863	13.8
285.16943	28.7
286.17227	1.0
317.21014	1.1
317.24475	0.9
335.25763	3.0
353.26752	1.9
371.27890	2.3
421.25806	15.2
439.26859	100.0
440.27225	3.0
502.60168	0.9
508.30371	0.9
535.66077	1.0
551.80646	0.9
635.22986	1.0
662.82166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86754	1.3
55.05507	1.4
58.92952	1.4
67.05498	1.9
70.85565	1.8
70.85926	4.0
78.91815	1.3
81.03396	1.7
81.07037	2.7
91.05453	1.8
103.87222	1.4
133.10176	1.3
177.74698	1.5
292.02176	1.4
376.16873	1.5
377.17755	2.6
378.18396	3.1
389.17932	2.2
391.19186	4.2
392.20251	3.4
393.20694	4.7
399.15915	2.4
400.16809	3.2
401.17715	5.1
407.22446	8.0
413.17642	4.8
414.18417	4.4
415.19470	8.6
416.19452	2.1
419.18707	3.3
421.19901	6.5
427.19443	1.5
428.20703	2.5
429.21118	8.9
430.21912	2.1
435.21500	7.3
436.22324	2.4
443.17880	3.5
443.23010	2.9
444.18878	4.3
444.24176	2.2
445.20319	5.1
447.17953	2.9
456.19711	3.3
457.20334	4.8
458.20886	5.2
459.17371	2.3
461.19263	1.7
469.16617	1.6
471.22452	9.3
472.22205	5.6
473.19296	6.7
474.20279	3.0
484.18591	2.1
485.19574	4.4
486.20847	8.8
487.21320	3.9
489.19208	5.0
490.19122	6.5
499.21365	12.8
500.21555	5.1
502.20038	2.5
503.24365	5.1
508.50211	1.5
513.19147	9.7
514.20160	2.5
516.21924	1.6
517.22241	16.2
518.21924	2.3
527.20673	4.6
529.22632	2.6
531.24341	14.5
532.24597	1.8
543.23779	2.2
545.21228	1.9
549.24780	10.0
559.23340	84.7
560.23511	9.3
573.21228	2.0
577.23889	2.5
578.25360	1.8
587.22632	12.3
591.25903	5.0
605.23700	9.6
619.17755	1.8
619.25366	83.1
620.25732	10.7
637.26440	100.0
637.40912	3.2
638.26691	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	637.2642
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
69.90409	2.3
83.82970	0.3
98.21169	1.2
110.85904	0.3
132.49934	0.3
147.02818	0.4
182.73071	0.3
193.07201	0.4
218.09448	0.4
219.08862	0.4
247.02786	0.4
249.09926	0.4
251.50356	0.4
273.13898	0.3
279.76428	0.4
284.11658	0.4
350.88336	0.4
373.14371	0.3
374.15823	0.4
376.17007	0.5
377.17728	0.6
378.18365	0.5
385.14447	0.9
386.15167	0.7
387.16052	0.5
388.17310	0.5
389.18228	0.6
391.18942	1.1
392.19812	0.6
393.20889	1.8
399.16055	1.8
400.16702	2.2
401.17746	3.1
402.18515	0.7
405.16159	0.5
405.20947	0.8
407.22281	1.9
411.16446	0.6
412.17374	0.4
413.17767	2.2
414.18384	3.4
415.19360	5.5
416.19812	1.4
417.20743	1.0
418.18076	0.4
419.18381	0.5
421.20026	1.5
425.17596	0.7
427.14658	0.6
427.19647	1.0
428.20490	2.5
429.15692	0.5
429.21268	6.3
430.21982	1.8
431.18192	0.9
433.16208	0.4
435.21765	1.5
436.22354	0.5
441.16776	1.0
442.17712	1.7
443.18076	2.5
443.22418	3.1
444.18719	4.2
445.20078	2.4
455.18701	1.1
456.19241	0.7
457.20547	3.8
458.21155	3.2
459.21884	0.5
471.22238	5.1
472.23288	3.3
473.19519	3.5
474.20374	1.3
484.18542	0.8
485.20053	2.2
486.20422	4.9
487.20819	2.2
488.22192	0.5
489.23151	0.8
490.19528	2.3
491.20557	0.6
499.21310	6.9
500.22665	2.7
501.23041	0.5
502.20267	0.7
503.24963	3.0
513.19141	0.8
514.19910	1.0
516.21722	1.2
517.22394	2.7
527.20575	2.0
528.21472	1.2
529.22668	0.6
531.23798	8.8
543.23895	0.9
545.21637	0.8
549.24597	0.6
559.23303	91.4
560.23706	8.8
587.22833	16.2
588.23352	1.7
588.31262	0.6
605.23865	0.9
619.25391	100.0
620.25671	9.5
637.26465	10.3
638.26715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59904	0.5
54.53527	0.5
57.32467	0.6
63.33928	0.6
67.05443	1.7
69.07023	0.8
71.69986	1.1
79.05441	0.9
81.07018	1.4
83.08579	0.6
86.09657	0.8
91.05429	0.8
93.06991	0.9
95.08556	1.1
107.08537	0.6
109.66030	0.6
117.06879	0.7
124.99948	0.6
145.10059	0.6
155.08557	0.6
165.34375	0.7
184.07224	1.8
202.15826	2.7
203.16228	1.5
221.10719	0.6
231.48491	0.6
253.32446	0.6
300.13486	2.6
301.13800	1.4
306.96643	0.6
399.16156	1.2
400.16827	1.5
401.17548	2.5
402.18512	0.7
405.21133	0.9
413.17694	1.8
414.18460	2.5
415.19467	5.4
416.19833	1.1
417.21286	0.9
419.22726	1.0
427.19568	0.6
428.19925	2.1
429.21185	6.1
430.21817	3.3
431.22406	1.7
432.19516	0.7
441.16956	1.2
442.17776	1.2
443.18491	3.3
443.23190	1.6
444.18509	3.4
445.20062	1.9
446.20966	1.2
447.11621	0.6
447.21997	1.0
455.18405	0.8
457.20215	4.4
458.21057	4.3
459.21808	1.9
461.19742	1.8
463.21191	1.5
471.22009	6.0
472.22522	2.7
473.19128	0.9
473.23856	1.1
474.20367	1.4
475.21713	1.6
485.19833	0.9
486.20389	4.3
487.21323	4.4
489.23386	1.1
490.19788	1.8
491.20639	2.1
499.21158	5.4
500.21814	1.7
501.22791	3.5
503.24951	3.6
517.22412	4.0
527.20764	1.0
531.23828	12.3
532.24268	0.8
545.21851	4.5
559.23315	100.0
560.23669	6.1
577.24359	7.1
591.25708	1.0
605.23724	1.3
619.25415	15.4
637.26434	61.1
638.26648	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04108	0.5
67.05372	1.5
67.05700	0.6
71.69875	0.7
79.05389	1.3
81.06962	0.9
83.09077	0.5
91.05377	1.0
93.06914	0.5
94.87290	0.5
95.04847	1.1
95.08479	0.9
99.30906	0.5
104.20564	0.6
105.06915	0.8
107.04809	0.6
107.08492	0.6
117.06865	0.6
119.08427	1.0
133.09946	0.9
173.05814	1.1
246.98396	0.6
248.99202	0.5
251.11461	0.6
363.16144	0.8
371.04724	0.6
374.16257	0.6
376.17014	0.7
377.17389	1.4
378.18088	1.2
385.14380	1.1
386.15591	1.2
387.16562	1.0
388.17932	0.8
390.18585	0.8
391.19006	1.8
392.19711	1.5
393.20639	2.8
399.16144	1.6
400.16913	3.2
401.17514	3.2
402.18115	1.4
403.19022	1.1
407.22064	2.4
412.17154	0.9
413.17566	3.2
414.18585	5.6
415.19293	9.7
416.19870	1.1
417.20782	1.1
421.20007	2.1
425.17542	1.7
427.18973	1.9
428.20331	3.3
429.21320	7.4
430.22205	2.7
431.18607	0.8
433.15973	0.6
435.21710	1.6
441.17041	1.8
442.17734	1.7
443.17160	3.6
443.22537	3.4
444.18561	5.9
445.20346	2.9
446.20767	0.7
447.17773	0.8
456.19296	1.1
457.20572	5.4
458.21130	5.0
459.22369	1.0
470.20792	0.6
471.22311	8.0
472.23169	4.6
473.19272	4.4
474.20239	1.8
475.21045	0.8
481.20050	0.8
484.19003	1.1
485.19901	2.8
486.20425	6.6
487.21152	2.7
488.22018	1.5
489.22818	1.2
490.19211	3.2
491.20273	1.3
499.21298	11.7
500.22574	3.6
501.22647	1.0
502.19821	1.3
503.25058	3.9
513.18951	0.9
514.19733	0.9
516.21423	1.6
517.22198	4.5
521.25116	0.8
527.20496	2.5
528.21637	0.9
531.23914	12.1
532.24371	1.0
541.22467	0.9
543.23779	1.4
545.21820	0.9
549.24554	0.7
559.23309	100.0
560.23663	7.9
587.22815	17.5
588.23291	1.4
591.26447	0.7
605.23663	0.7
619.25421	93.5
620.25568	7.1
637.26489	9.7
637.40466	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41784	1.8
65.03915	1.8
67.05496	3.5
79.45947	1.8
81.07044	4.1
98.20663	3.4
98.21345	9.6
141.21504	2.1
168.08034	2.5
193.07553	3.1
195.09172	6.9
196.09821	2.9
197.10683	3.0
207.09085	2.8
208.09924	6.9
209.10672	8.5
210.11505	8.3
211.12270	2.6
223.08661	10.4
223.12291	5.1
224.09369	15.6
224.13098	2.5
225.10233	5.4
225.13811	10.0
226.14607	2.3
235.08582	5.9
236.09344	4.0
237.10185	4.8
238.11005	2.8
251.08162	6.3
251.11777	6.6
253.13339	26.0
255.11285	5.4
256.11987	3.1
263.08136	7.1
264.08868	3.1
265.09634	4.0
269.09131	2.7
279.07779	3.0
279.11148	4.2
281.09241	6.3
291.07538	6.4
297.09070	2.9
297.12259	6.3
310.09433	3.3
325.11856	5.4
351.09726	25.1
352.97305	2.2
353.11569	2.5
369.10751	37.9
465.35913	2.4
478.45944	2.2
517.22021	8.1
545.21954	3.6
573.21246	4.9
577.15857	3.1
577.24377	42.7
578.24725	4.0
605.23871	100.0
606.23804	6.7
637.26416	18.2
638.26117	2.7
652.29602	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	637.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36013	1.8
56.30427	1.7
70.98020	4.4
75.85473	1.8
114.00655	2.2
121.10106	1.9
137.43016	1.9
145.85626	1.9
149.53636	1.8
170.27283	2.1
386.63120	2.6
391.19073	3.0
400.17120	2.2
404.20523	2.3
405.20847	6.4
406.21381	6.3
415.19278	4.3
420.23138	4.6
421.23831	9.9
428.19852	4.1
429.21060	10.5
431.22864	2.6
433.19803	2.6
443.22385	7.8
444.23105	4.6
445.20108	5.3
447.17853	2.4
448.80786	2.1
457.24088	4.4
458.24664	6.7
459.21893	4.6
460.22797	5.0
461.19965	6.5
472.22574	6.9
475.21384	3.1
476.22000	6.5
484.94806	2.4
485.23447	12.1
486.24234	5.9
487.21381	3.6
488.22137	5.5
499.21146	3.8
500.22144	2.7
503.24484	16.9
513.22620	3.2
517.18457	2.2
517.25958	8.9
529.26263	2.5
535.27039	23.8
545.25452	85.3
546.25720	4.4
563.26642	5.7
573.24878	17.3
578.28436	2.4
605.27515	79.0
606.27997	3.7
637.30170	100.0
638.29993	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	637.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85741	1.2
52.52763	1.1
66.73029	1.2
69.49519	11.6
93.35073	1.3
95.08574	1.6
119.06878	1.3
120.39635	1.3
186.91866	1.2
209.10823	1.5
223.12265	2.9
225.13681	1.3
237.13860	2.4
250.10927	1.2
318.20020	1.7
333.19611	1.3
417.16904	1.8
419.18634	2.0
431.18484	1.3
447.22192	1.6
459.21924	3.5
461.19302	2.4
470.77802	1.2
475.21393	3.6
476.21982	11.1
495.34451	1.3
519.23956	1.8
547.23920	2.7
562.25446	8.9
563.26550	3.3
577.28558	4.0
606.28253	1.6
622.27692	3.5
637.30121	100.0
638.30316	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	637.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.4
53.04152	2.3
53.94526	2.2
55.01852	8.6
55.05502	28.5
57.03431	17.5
57.07056	2.5
59.15349	2.0
65.03914	5.4
67.05138	4.5
67.05490	89.4
69.03417	22.6
69.07053	24.0
71.04967	7.6
71.69860	3.5
79.05022	4.4
79.05477	83.2
81.03402	46.6
81.07040	98.4
83.04961	26.4
83.08595	18.7
85.02881	14.1
85.06499	5.4
90.73289	2.4
91.05456	67.4
93.07026	100.0
95.04949	30.8
95.08585	38.0
97.02876	14.3
97.06524	17.9
97.10156	5.9
99.04392	4.1
99.08091	5.7
102.27494	2.2
105.04462	2.6
105.07002	48.4
107.04949	12.8
107.08571	33.5
109.02849	8.4
109.06494	10.1
109.10130	7.2
111.04430	4.2
111.08032	10.0
115.05471	5.6
115.06506	2.3
117.06995	23.9
119.08562	25.0
121.06456	4.6
121.10110	19.0
123.04394	6.3
123.08000	4.2
123.11649	2.8
127.03861	6.9
128.06197	6.4
129.05493	5.5
129.06963	24.8
131.04861	4.7
131.08540	21.6
133.06473	5.9
133.10120	18.9
135.08026	4.1
135.11662	8.8
137.05988	3.7
137.09615	2.7
139.11136	4.1
141.06927	5.1
143.08536	12.9
145.06439	7.1
145.10147	11.2
147.07994	7.8
147.11647	27.3
149.09550	2.5
149.13240	21.7
155.08542	5.9
157.06487	5.6
157.10005	4.7
158.31102	2.1
159.11673	11.8
161.06006	2.7
161.09578	3.9
161.13243	8.4
163.11102	2.9
165.06885	2.3
171.07986	4.2
171.11636	19.7
173.04472	3.5
173.09618	3.0
175.10965	2.3
177.12697	9.1
181.10066	2.8
185.09573	4.8
187.11137	3.4
189.12686	7.0
195.11798	3.2
195.13788	9.2
207.13759	20.2
213.14697	2.8
215.14139	2.4
221.15273	2.8
225.14726	4.0
241.15990	3.2
259.16901	4.4
269.17520	32.5
271.17087	2.6
281.17380	26.6
287.16400	11.8
339.17731	2.8
343.18893	2.8
361.20343	2.8
413.21463	9.4
425.21411	4.8
475.30460	87.4
489.32455	2.5
533.94745	2.4
555.32678	4.0
601.33380	2.5
619.34686	24.6
637.35950	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	637.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.2
54.06899	2.5
54.18722	2.5
55.01855	12.5
55.05499	29.6
57.03427	20.3
65.03914	5.8
67.05498	80.9
69.03417	23.2
69.07049	23.0
71.04964	8.3
71.69588	3.6
73.02891	3.5
79.05482	93.9
81.03412	44.7
81.07044	100.0
83.04977	21.8
83.08611	16.4
85.02891	16.5
85.06521	5.9
87.01087	3.0
91.05466	68.4
93.07035	98.7
95.04955	25.2
95.08591	44.9
97.02862	12.4
97.06525	14.2
97.10166	5.0
98.21130	3.7
99.04418	3.0
99.08051	4.3
102.43522	2.7
103.05427	2.9
105.04546	3.5
105.07010	47.4
107.04936	12.8
107.08595	40.3
108.05997	2.6
109.02856	11.6
109.06485	11.7
109.10145	6.3
111.04397	4.1
111.08059	7.2
115.05444	4.2
117.07012	23.3
119.08564	30.5
121.06487	9.1
121.10117	19.1
123.04411	4.3
123.08016	9.9
123.11680	6.7
125.09630	3.0
127.03899	10.3
128.06180	7.8
129.05473	4.1
129.06999	24.7
131.03395	2.6
131.04823	4.6
131.08542	26.4
133.06427	4.7
133.10089	17.3
135.07988	4.2
135.11685	9.2
141.06934	3.7
143.08510	14.9
145.06436	6.4
145.10103	14.9
147.08081	4.9
147.11673	29.0
149.09637	2.8
149.13274	22.6
153.78598	2.9
155.08543	5.2
157.06450	3.5
157.10075	8.3
159.08025	4.3
159.11655	16.8
161.09567	6.8
161.13220	7.3
163.03830	2.7
171.11673	22.9
173.04495	4.3
173.09683	3.2
175.11089	3.0
177.12692	6.9
187.37521	2.4
189.12737	8.1
195.13760	9.3
197.13130	3.1
201.12804	2.6
205.11978	3.0
207.13751	31.8
209.13332	4.0
223.14709	2.7
225.14839	6.2
241.15683	3.1
259.16946	4.6
269.15192	6.7
269.17630	33.5
281.17462	27.6
287.16348	12.3
343.18420	3.3
354.50146	2.9
413.21603	6.2
443.82678	3.3
475.30548	92.1
476.30676	4.3
489.31680	6.1
555.32941	7.9
619.34662	20.6
637.39221	8.5
639.78595	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	637.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01849	2.0
55.05505	4.4
56.36115	0.6
57.03161	0.9
57.03426	14.2
57.06805	1.3
57.07068	22.8
61.02917	45.8
67.05490	8.4
69.03416	17.6
69.07072	5.7
69.58090	5.9
71.01327	3.0
71.01688	0.7
71.04961	2.7
71.08248	1.1
71.08619	16.3
73.02908	16.5
75.04471	1.1
79.05472	2.3
81.02942	1.1
81.03404	16.2
81.07047	11.6
83.01323	1.0
83.04951	2.4
83.08604	8.4
84.97911	0.6
85.02892	63.1
85.10160	9.8
85.42896	0.7
87.04500	1.2
91.03941	39.1
93.07024	2.1
95.08592	14.2
97.02879	52.7
97.10136	4.3
99.04435	8.6
101.02354	4.6
103.03912	7.6
105.06992	1.1
107.04917	1.1
107.68900	0.6
109.02175	0.9
109.02861	10.4
109.06534	1.2
109.10144	7.6
111.04401	2.2
111.11686	1.2
115.03909	5.1
117.05484	2.1
117.07001	1.0
119.08527	1.2
123.11687	3.6
125.13253	0.7
127.03895	26.2
129.05453	5.1
137.05928	0.7
137.13223	1.7
140.43654	0.6
140.49858	0.7
141.05446	0.7
145.04932	16.0
146.92163	0.6
147.11748	0.7
159.06488	2.8
163.06023	3.7
163.07249	0.6
167.95193	0.7
169.04913	0.8
171.06517	1.5
183.06508	9.3
186.81917	0.7
201.07541	6.3
219.08501	1.2
221.22606	1.1
239.21198	1.3
239.23647	21.0
257.24768	2.0
271.08209	0.7
291.89853	0.6
298.27551	0.8
313.27310	100.0
314.27716	1.0
331.28433	0.9
341.26825	4.3
355.28442	2.9
367.28333	1.2
379.23331	0.7
383.27890	2.5
385.29489	1.5
397.29501	0.9
421.29407	1.8
439.30557	2.1
443.83594	0.7
457.31531	13.1
475.32172	1.2
634.31311	0.8
637.26569	1.0
637.39246	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	637.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.1
56.05017	6.5
57.03416	2.8
57.07064	10.3
58.02950	6.0
60.04519	18.8
66.16840	2.0
67.05511	12.4
69.03426	4.2
69.07069	15.9
71.01373	2.8
71.08612	6.2
71.67557	2.5
71.67934	3.4
72.04506	73.9
78.24448	2.1
79.05475	10.3
81.03417	6.7
81.07044	18.3
83.04972	2.7
83.08605	11.0
84.04488	15.6
85.02913	12.0
86.06052	5.7
91.05455	8.6
93.07045	10.3
95.08602	13.6
97.02919	4.2
97.10171	9.5
100.03947	2.7
102.05527	3.1
105.07022	5.3
107.04938	3.0
107.08620	3.1
109.02828	2.6
109.10126	4.0
111.04392	3.1
111.11682	4.3
117.06898	2.6
118.07330	2.2
121.10086	4.0
128.43991	2.2
131.08531	3.8
133.10149	5.0
136.27332	2.2
137.05963	40.3
143.08559	3.2
144.75369	2.1
161.09547	2.3
212.23689	12.3
213.22137	6.3
249.91489	2.3
250.25227	5.1
251.23645	13.7
251.26093	2.2
267.47028	2.5
268.26324	31.4
278.24710	6.3
281.17581	2.3
286.27325	4.4
296.25824	28.3
314.26865	69.6
332.27927	100.0
333.28122	3.5
357.36551	2.3
435.07977	2.4
445.06046	2.1
453.13730	2.5
475.30133	3.9
565.41382	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	638.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63015	0.3
55.05496	1.9
57.07042	0.6
67.05473	1.6
69.03408	1.1
69.07059	6.1
70.06569	1.0
71.04958	0.5
71.69906	0.5
73.02869	0.7
73.93957	0.4
79.05453	0.9
81.03396	0.9
81.06634	0.5
81.07044	2.4
83.08595	1.8
85.02879	2.8
86.09694	0.9
91.05470	2.2
92.68537	0.3
93.07034	1.5
95.08601	6.9
97.02866	0.9
104.94783	0.3
105.07012	6.9
107.08562	2.4
109.10133	6.0
117.06985	0.9
119.08566	31.0
121.10126	1.5
127.03886	0.8
131.08578	0.7
133.10109	25.8
135.11659	2.4
137.09593	2.8
141.65593	0.4
141.97491	0.4
145.04904	0.9
145.10103	1.3
145.88506	0.4
147.11673	4.5
149.13246	0.8
151.14835	0.6
159.11745	0.5
160.12463	1.6
173.13199	1.0
175.14798	100.0
176.15146	1.5
177.16318	0.7
193.15852	14.6
257.04568	0.4
285.03885	0.7
303.04868	1.8
313.03296	1.7
313.06659	0.8
330.05865	0.5
369.59406	0.4
442.51749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01855	4.0
55.05499	4.1
57.03426	3.0
57.07059	2.2
58.00929	1.0
59.04982	1.5
61.02918	2.4
67.05490	11.9
68.99764	1.4
69.03417	12.5
69.07050	7.9
71.04980	13.8
73.02908	3.1
79.05471	6.4
81.03411	10.6
81.07040	32.4
83.04965	2.0
83.08598	2.3
85.02886	17.6
85.06514	2.3
87.00801	9.0
87.04412	0.9
91.05451	5.6
93.07030	15.0
95.04955	5.2
95.08587	30.3
97.02879	10.7
97.06522	2.7
99.04442	3.5
105.01842	5.6
105.07008	13.7
107.04950	1.2
107.08567	16.9
109.02863	9.2
109.06491	8.6
109.10139	28.4
111.08055	3.3
113.09680	1.0
114.72601	0.9
117.01790	1.2
117.06979	2.6
119.08556	10.6
121.06463	3.7
121.10114	14.2
123.08022	4.6
123.11678	17.9
125.09598	3.3
125.40810	0.9
127.03877	13.9
127.11169	4.6
129.01845	2.4
131.08536	5.4
133.10098	14.1
134.10402	1.0
135.08031	6.1
135.11665	12.1
137.09587	23.3
137.13228	15.1
139.11172	5.1
141.12621	0.9
143.08521	3.6
145.04915	3.8
145.10085	9.8
147.02838	1.1
147.08041	2.3
147.11649	8.4
148.49249	0.9
149.09607	3.5
149.13220	3.6
149.71976	1.1
151.07553	1.2
151.11174	6.4
153.12709	5.7
155.08455	1.2
157.10101	5.7
159.02876	4.7
159.08026	4.0
159.11668	6.4
161.09592	45.0
161.13255	3.6
163.07530	3.8
163.11139	3.5
163.14871	1.8
165.09064	7.4
165.10165	0.8
165.12744	2.7
167.10646	1.7
169.10085	1.2
169.12334	1.2
171.11696	3.5
173.09624	4.4
173.13211	9.2
175.11169	8.4
175.14799	1.9
177.09091	2.4
177.12720	1.8
179.10616	1.6
181.12189	3.6
185.13205	2.0
187.02235	1.2
187.11130	1.7
187.14796	3.5
189.12741	1.1
189.16324	2.0
191.14291	6.6
192.69319	0.9
193.12177	1.7
197.13240	4.2
199.11105	1.5
199.13077	1.0
199.14827	3.3
201.12929	1.4
201.14740	1.4
201.16412	2.1
203.14346	2.8
209.13202	1.2
211.14835	1.9
213.16422	3.8
215.14296	5.5
217.19417	1.2
229.15805	1.3
231.05054	2.4
231.17473	5.4
233.15349	1.3
241.19479	1.8
245.15372	1.2
255.21036	1.7
259.20508	3.1
273.22131	4.0
277.21533	9.1
283.20459	9.0
291.23120	2.9
295.22632	27.6
301.21570	100.0
302.21930	4.3
316.05695	1.1
319.22617	87.3
320.22925	2.4
331.07965	4.2
337.23676	65.7
338.24142	2.4
355.24734	1.6
404.24326	1.0
409.24039	1.1
414.47583	0.9
427.24884	2.1
479.16095	0.9
482.29788	1.3
511.31549	0.9
567.27979	2.6
585.29041	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	639.28
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.01860	0.5
55.05490	0.5
57.03445	0.4
67.05495	1.8
69.07046	1.1
70.03030	1.1
70.03432	0.7
75.54223	0.3
75.86905	0.3
75.87344	0.3
79.05466	1.4
81.07043	1.2
91.05466	1.2
93.07023	1.2
95.04977	0.5
95.08591	0.8
97.06503	0.4
101.21792	0.4
105.07010	1.3
107.04947	0.5
107.08552	0.6
108.04456	0.6
109.06459	0.4
117.06995	0.5
119.08595	0.8
129.06998	0.3
131.08527	0.7
133.10121	0.8
145.10110	0.5
147.11607	0.3
158.09698	0.4
180.33884	0.4
204.06509	0.5
225.10286	0.7
235.08705	0.4
239.11748	0.3
257.19028	0.4
273.18362	0.6
275.20132	1.2
288.04730	0.4
291.19626	0.9
314.13141	0.5
324.11203	0.3
326.13187	0.4
328.14481	0.6
329.15051	0.4
379.19363	0.5
391.15588	0.9
392.16077	0.5
393.17087	1.2
393.21310	0.5
405.17270	0.9
406.17831	1.1
407.18610	1.9
408.19205	0.4
417.16931	0.5
418.17535	0.4
419.14297	0.6
419.18958	0.7
420.15201	0.6
420.19513	1.1
421.20480	5.7
422.21124	1.7
423.21957	0.8
430.17914	0.5
431.18817	0.6
432.19199	0.5
433.15613	0.5
433.20541	1.1
434.17313	1.3
435.17130	2.7
435.22806	0.8
436.23016	2.2
445.16385	0.5
446.16541	0.4
447.17270	0.5
447.22003	1.3
448.18466	2.0
449.19574	10.7
450.20352	3.6
451.21127	0.8
459.18280	1.0
461.19608	1.8
462.20480	0.6
463.21573	6.6
464.22040	5.4
465.22467	1.3
474.20407	1.1
475.21301	2.3
476.17691	0.5
477.18851	5.9
478.19736	2.1
479.20871	0.6
482.23981	0.4
491.21039	1.4
492.21506	1.2
493.22253	1.0
495.24069	0.5
505.22424	0.6
507.24005	1.0
509.21857	0.4
519.23859	0.6
521.22107	1.2
523.22815	2.0
533.22504	1.3
535.23395	3.9
536.24353	1.9
537.21387	0.7
547.23706	0.4
549.21307	0.7
550.25311	1.1
551.26404	3.3
561.24774	3.6
562.24500	0.4
563.22705	0.6
564.23523	3.9
565.24341	2.6
567.25000	0.4
579.25800	8.4
581.24377	0.4
592.22766	0.8
595.25482	2.8
596.26068	0.8
607.25330	0.9
610.27454	0.9
621.27228	4.4
621.36359	0.8
624.25623	5.1
639.28015	100.0
640.28247	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	639.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69978	8.4
60.03072	7.3
63.80827	7.5
64.40735	7.3
67.05486	10.8
69.85936	31.6
69.86345	17.6
74.52058	7.5
79.05492	9.4
81.07021	8.6
82.88641	7.2
98.20624	7.5
105.28554	8.2
107.08538	8.4
120.37778	7.4
150.71054	8.4
151.47966	7.7
243.27246	8.1
377.17294	9.8
391.18924	9.3
392.20010	19.4
404.20099	14.1
405.20581	25.1
406.21387	18.9
407.22177	49.9
419.21988	19.3
420.22925	14.9
421.23749	65.2
422.24805	17.4
433.23642	20.6
451.21442	58.7
452.21979	18.9
465.22717	86.9
466.23459	9.9
475.20251	11.2
493.25436	12.1
503.24368	63.1
504.25467	9.2
507.27551	47.8
508.28210	8.2
512.32379	9.3
523.23157	20.6
535.27185	66.3
537.24884	44.9
551.26495	23.8
552.27197	29.5
561.24805	24.0
579.26282	11.5
621.26843	21.0
639.27441	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	639.2823
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
51.61210	3.9
55.76254	3.1
59.61731	3.5
61.75315	3.4
88.60395	3.5
98.21301	15.7
153.32027	3.7
229.90820	5.3
295.44873	3.9
316.36639	4.2
431.18564	3.8
432.22693	4.3
444.19238	4.8
459.21753	17.7
460.22324	4.9
461.23105	3.7
519.23309	5.0
533.25806	3.7
547.26819	7.2
551.26227	6.8
579.25635	12.3
606.28333	100.0
607.25250	37.5
611.28888	23.5
621.26129	4.8
622.27936	8.7
633.22003	4.0
639.27960	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.6
53.03929	7.9
53.49343	1.3
55.01864	4.8
55.05502	18.9
57.03423	9.1
57.07072	1.8
59.91519	1.8
61.02877	1.4
65.03926	3.3
67.05495	31.2
68.99776	1.6
69.03416	17.3
69.07053	9.4
70.06580	2.1
70.54902	5.3
71.01311	1.5
71.04991	10.3
73.02899	2.4
79.05479	31.7
81.03404	100.0
81.07041	37.8
82.07375	1.6
83.04967	19.2
83.08603	17.5
84.08142	1.5
85.02895	23.6
85.06507	2.7
86.03242	2.2
86.09713	1.5
87.00841	2.3
87.35976	1.5
91.05460	34.8
93.07027	24.8
95.04952	30.7
95.08600	16.4
97.02875	18.8
97.06538	7.1
97.10173	4.2
98.97590	1.5
99.04442	6.1
105.07020	29.1
107.04937	10.7
107.08576	15.3
109.02869	18.9
109.06497	6.0
109.10134	10.9
111.04424	12.0
111.08054	11.2
113.05975	1.7
117.06999	4.1
119.04927	2.1
119.08559	23.7
121.06479	5.8
121.10135	16.1
123.04398	2.4
123.08040	3.1
123.11684	5.1
125.09618	4.9
127.03889	11.6
127.07524	1.5
128.06152	1.6
129.05473	3.2
129.06989	11.4
131.04860	2.6
131.08557	10.6
133.06445	4.9
133.10098	14.6
135.08020	2.4
135.11667	5.3
137.05936	2.3
137.09607	4.1
139.03859	3.0
142.07776	3.2
145.06448	2.6
145.10103	6.0
147.04431	4.2
147.08041	4.3
147.10559	2.2
147.11655	18.1
149.09604	8.8
149.13190	2.1
151.07570	1.7
151.11192	2.7
153.12709	1.8
155.08458	3.0
157.10103	15.3
157.77242	1.6
159.11618	2.3
161.05905	1.6
161.09566	1.8
163.03972	2.5
163.11166	5.5
165.09029	3.1
165.12749	6.7
167.08447	1.7
167.10666	1.5
170.58044	1.4
171.11543	2.0
173.04425	2.6
173.09531	1.9
173.13263	1.9
175.11140	14.4
177.09213	1.5
179.30751	1.4
181.12225	5.7
183.11731	1.7
189.11166	2.0
191.10680	3.3
193.12207	40.4
194.00607	1.4
207.11644	1.5
211.07474	1.7
211.11218	3.3
211.13254	64.2
212.13637	1.6
217.12206	1.5
227.12729	5.6
267.15887	19.8
273.14609	2.4
277.14282	1.8
285.16925	12.1
301.14267	4.4
307.60175	1.5
310.24579	2.5
313.16229	1.9
319.22723	1.6
320.23093	2.3
337.16489	3.7
338.24084	7.1
355.17395	4.7
356.24826	1.4
367.22668	2.3
385.23581	4.0
391.20825	5.3
393.19070	2.1
411.20029	6.4
459.27420	9.4
477.27942	9.0
495.29175	11.2
530.94366	1.5
562.63110	1.4
603.31421	2.2
621.32507	9.0
639.24969	4.3
639.33759	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.2
53.03936	5.4
55.01857	5.9
55.05497	17.2
55.13148	0.8
57.03427	8.7
59.04981	1.0
65.03921	2.0
67.05489	26.0
69.03414	16.6
69.07045	6.3
69.53709	7.7
71.01347	1.0
71.04970	6.2
79.05478	23.3
79.05927	1.4
81.03400	100.0
81.07040	25.2
82.03721	1.1
83.04964	18.9
83.08598	21.5
83.09062	1.3
85.02889	24.9
85.06521	2.2
91.05462	31.8
91.06039	1.5
93.07024	17.8
95.04950	28.8
95.08589	9.9
97.02877	13.7
97.06500	4.4
97.10162	5.0
98.20736	1.6
98.21382	1.6
99.04453	4.8
99.08085	1.4
103.03906	0.8
105.07007	31.4
105.07714	1.5
106.07349	1.0
107.04937	7.9
107.08565	8.7
109.02858	19.8
109.06496	5.0
109.10135	4.6
111.04423	11.0
111.05135	0.8
111.08049	11.0
111.08730	1.2
113.06017	1.8
115.05475	2.1
117.07027	3.3
119.04956	1.2
119.08560	17.2
121.06471	4.1
121.10123	9.7
123.04395	1.2
123.08096	3.6
123.11713	2.2
125.06020	1.2
125.09585	4.0
127.03894	9.8
128.06284	1.1
129.05452	2.0
129.06992	11.4
131.04909	1.4
131.08543	11.1
133.06444	5.0
133.10085	8.4
133.10976	0.7
135.08086	1.9
135.11664	3.0
137.05957	1.6
137.09631	2.2
141.06998	0.9
142.07761	2.0
145.04999	0.9
145.06462	1.7
145.10071	4.4
147.08041	3.9
147.11658	15.6
147.12724	1.2
149.06024	1.1
149.09564	6.0
153.12773	3.1
155.08585	0.8
157.06586	1.0
157.10104	12.3
159.08101	0.9
159.11676	1.2
161.06023	1.2
163.03967	1.2
163.11118	4.5
165.12701	4.5
173.04504	0.8
173.09602	1.8
175.07590	4.7
175.11150	13.5
181.12244	3.3
189.11317	1.6
191.10622	3.9
193.12204	42.0
195.13786	1.0
209.11679	1.4
211.13249	70.7
212.13712	1.8
213.14842	0.9
227.12727	6.6
229.14401	2.5
231.13832	1.3
235.13455	1.0
249.14966	2.3
255.13707	0.9
259.13245	1.2
265.14722	1.0
267.15866	17.6
273.14792	1.8
277.14383	1.1
283.15546	2.3
285.16919	12.6
285.19656	1.0
294.76163	0.8
295.15491	0.9
301.14075	4.6
303.04953	14.1
304.05533	1.1
309.17001	1.6
313.16638	2.0
319.15506	2.8
327.62698	0.8
337.16519	3.1
355.17416	6.8
367.22672	1.5
375.18127	1.2
385.23877	3.4
391.20871	6.9
393.19177	3.6
403.25024	1.1
411.20065	6.0
429.21268	3.0
459.27173	7.1
477.28201	9.3
495.29358	11.4
501.29437	0.9
511.28696	1.1
551.98828	0.8
585.30859	2.7
603.31409	2.9
607.20764	0.8
621.32629	8.5
639.33917	33.0
640.34320	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.6
55.01869	16.0
55.05499	35.1
57.03423	14.8
57.07053	3.2
57.30034	1.8
59.04976	2.7
65.03920	6.4
67.05492	100.0
69.03416	38.5
69.07054	29.9
69.48557	19.1
71.01324	5.5
71.04989	14.4
73.02900	4.3
73.14187	1.8
79.05477	60.1
81.03403	88.0
81.07043	93.6
83.01315	3.7
83.04968	22.4
83.08601	18.5
85.02894	17.6
85.06520	5.4
87.04443	3.4
91.05460	48.3
93.07027	60.5
95.04958	18.6
95.08586	30.2
97.02879	27.8
97.06519	15.6
97.10173	13.2
99.04432	11.9
99.08059	2.5
103.05441	2.7
105.07006	28.6
106.02135	1.7
107.04944	20.9
107.08580	40.6
108.08845	1.9
109.02864	31.4
109.06493	11.2
109.10136	28.0
111.04417	14.3
111.08051	7.7
116.06219	2.3
117.06997	19.4
119.08552	22.4
121.06464	7.1
121.10127	21.9
123.04403	3.7
123.08038	8.3
123.11699	4.4
125.09608	12.7
127.03893	27.6
128.06201	2.2
129.05473	3.5
129.06975	8.3
130.07718	2.8
131.08562	20.2
133.06477	4.7
133.10110	15.5
135.04437	2.1
135.08022	5.7
135.11674	17.6
137.09601	5.7
139.11098	2.5
143.08519	7.3
145.05002	2.0
145.06421	3.8
145.10120	14.4
147.04376	2.2
147.07990	6.8
147.11671	11.7
149.09569	6.7
149.13258	18.1
153.12720	9.7
155.08502	4.4
157.10121	5.1
159.08011	3.4
159.11652	11.2
161.09616	2.6
161.13184	2.0
163.11130	20.5
169.10100	2.2
171.07996	1.9
171.11633	3.5
173.04428	32.2
173.09560	4.7
173.11728	4.2
173.13231	2.8
175.11214	3.8
177.12708	5.9
181.12289	9.1
181.65771	1.7
183.06451	3.3
183.11584	2.9
187.00145	1.8
189.09114	2.7
189.11145	4.7
191.10669	10.9
193.10144	2.2
193.12141	3.7
195.13754	17.3
199.13248	2.3
207.13652	1.9
209.11681	23.3
209.71979	1.8
211.93465	1.9
213.14723	3.4
219.13806	1.8
225.11142	2.8
227.12740	25.1
229.14287	5.3
257.05518	2.0
257.19043	2.3
267.15875	3.8
269.17471	15.1
273.18365	2.6
275.16391	2.6
275.20032	4.1
283.15298	6.4
291.19342	2.7
295.18948	2.7
301.16522	2.5
303.15717	2.4
353.15833	6.3
371.16946	2.6
377.19339	4.4
395.20877	4.6
409.18484	2.7
423.27390	11.8
427.19485	7.5
437.28790	3.1
451.25980	2.1
459.27267	2.6
477.28513	12.3
495.29517	9.0
501.18268	2.0
561.22516	2.1
603.31183	3.6
621.32471	14.3
621.41364	4.0
639.33502	50.2
639.42133	4.0
640.33887	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	639.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	16.4
55.01863	14.4
55.05496	34.9
57.03419	15.4
57.07060	5.1
58.11055	2.8
65.03915	6.3
67.05142	5.5
67.05491	100.0
69.03414	37.8
69.07064	25.5
70.96420	8.2
71.01356	4.6
71.04990	21.2
78.27544	2.7
79.05025	4.1
79.05480	64.7
81.02943	5.1
81.03402	81.0
81.07040	90.8
83.04958	27.1
83.08611	23.1
85.02902	17.5
85.03378	3.7
85.06541	8.2
87.04424	3.3
90.14426	3.2
91.04921	4.4
91.05465	55.7
93.07034	64.8
93.99901	2.6
95.04948	24.8
95.08582	38.6
97.02863	21.5
97.06516	17.7
97.10135	10.1
99.04417	12.5
99.08086	4.7
101.02326	2.9
103.03945	4.0
105.07020	36.0
107.04917	17.5
107.08568	40.5
109.02856	25.0
109.06506	11.0
109.10130	33.0
111.04409	9.4
111.08069	9.3
113.05949	3.1
115.05407	5.2
117.06991	21.1
119.08567	27.8
120.92630	3.7
121.06493	5.9
121.10102	24.7
121.17965	3.4
123.08018	7.3
123.11665	6.0
124.49338	2.7
125.09585	9.4
127.03917	21.9
129.06982	9.9
131.08536	24.5
133.06459	4.4
133.10091	23.2
135.08026	9.4
135.11658	16.5
137.06004	3.0
139.11131	3.2
143.08488	11.3
145.06479	6.1
145.10080	14.8
147.07951	5.0
147.11668	14.5
149.09579	5.6
149.13196	17.0
151.03833	3.3
151.11105	3.9
153.12688	5.5
155.08492	7.6
157.10155	7.0
159.11678	12.9
161.09604	7.3
163.11137	15.7
165.12711	5.1
169.10153	4.2
171.11600	6.7
173.04411	29.1
173.09508	4.7
173.11739	5.8
175.11116	4.2
177.12674	8.0
181.10199	3.5
181.12160	6.7
183.06505	8.5
183.10080	3.2
183.11661	4.1
189.12689	3.5
191.10619	6.2
193.12250	4.3
195.13727	12.2
199.13077	3.0
199.14790	4.4
209.11674	10.7
217.15797	3.6
227.12671	14.3
233.15218	3.8
269.17413	16.3
273.18475	9.7
275.20047	9.2
283.15289	4.9
291.19449	9.2
353.15802	6.3
371.17114	3.9
417.77023	3.5
423.27426	14.6
477.28336	6.6
495.29565	5.1
621.32513	10.8
621.41638	5.5
639.33301	34.0
639.42444	18.3
653.93671	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	639.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.2
53.68094	1.7
55.01848	5.2
55.05503	22.0
57.03441	11.7
61.02903	3.4
65.03929	3.8
66.63615	1.7
67.05141	3.9
67.05497	79.4
69.03415	18.0
69.07049	17.5
69.36936	14.4
69.37354	6.3
71.04987	24.4
79.05486	57.0
81.02944	2.9
81.03407	42.1
81.07046	100.0
82.07392	2.0
83.04977	17.4
83.08617	12.4
85.02900	12.7
85.06527	5.6
91.05466	56.0
93.06448	2.7
93.07030	54.4
95.04956	17.1
95.08593	34.8
96.86514	2.3
97.02879	14.0
97.06548	10.7
97.10132	4.8
98.20664	3.5
99.04487	3.8
99.08045	4.5
105.07011	34.1
107.04970	9.3
107.08570	24.1
109.02854	12.0
109.06491	7.7
109.10156	9.3
111.04408	6.9
111.08064	4.1
115.05464	2.3
115.67936	1.7
117.06990	12.0
119.08582	21.1
121.06479	3.0
121.10155	14.1
123.08046	3.9
123.11686	5.5
125.09621	3.3
127.03882	9.2
128.06190	2.2
129.07036	10.3
129.07858	2.3
131.08542	14.8
133.06448	3.8
133.10110	23.5
135.08032	4.1
135.11668	8.7
137.05998	2.1
141.06947	3.4
143.08543	8.5
145.06424	1.9
145.10094	7.7
147.08011	3.9
147.11676	17.4
149.05930	2.9
149.13246	11.8
151.11125	3.5
157.10092	5.4
159.08011	2.4
159.11598	10.8
161.09608	3.2
161.13234	10.4
163.11163	4.0
165.12767	2.9
169.10144	2.9
171.06509	2.0
171.11714	12.1
173.04430	5.3
173.09436	2.1
175.11121	4.3
177.12730	6.5
179.14278	5.6
187.13229	7.5
189.12744	5.1
193.12227	2.6
195.13779	8.0
207.13849	12.6
213.14668	2.6
227.12703	3.1
253.17958	12.2
267.16046	2.2
269.17416	9.6
271.19009	3.8
273.18466	2.3
274.99698	2.0
275.20221	2.2
281.17419	23.5
283.18875	2.0
287.16367	2.2
321.17032	2.4
339.17960	4.0
353.16019	2.8
377.19327	2.2
395.20584	5.4
437.29034	12.4
449.03955	2.0
451.30298	4.8
459.31247	21.4
463.30865	2.9
477.32065	2.8
495.33157	4.6
607.34338	10.7
639.36469	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	639.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40553	1.2
53.03719	1.4
53.03933	9.0
55.01848	5.1
55.05500	16.0
57.03424	8.2
57.07056	2.9
59.04980	1.6
65.03932	3.0
67.05492	66.7
69.03419	14.8
69.07046	15.1
71.01343	1.6
71.04977	37.1
79.05480	46.5
81.02935	2.8
81.03402	43.4
81.07041	100.0
83.04953	11.9
83.08603	13.1
85.02444	1.2
85.02881	7.5
85.06525	5.9
87.04444	1.5
91.05460	39.7
93.01121	1.2
93.07027	49.7
95.04954	12.5
95.08595	25.0
97.02881	13.3
97.06506	11.3
97.10145	3.3
99.04446	5.9
99.08064	3.7
105.07011	24.8
107.04936	6.9
107.08573	29.6
107.53996	1.3
109.02854	12.9
109.06510	8.3
109.10146	8.9
111.04431	5.5
111.08055	5.1
113.05995	2.2
117.07011	11.6
119.08556	11.5
121.06477	4.0
121.10120	14.1
123.08002	1.4
123.11697	7.6
125.09601	2.7
127.03869	6.8
129.06979	4.8
131.04875	2.0
131.08560	13.2
133.06467	1.7
133.10129	19.8
135.08017	3.9
135.11696	9.8
135.22787	1.4
137.05905	2.0
143.08530	2.3
145.06465	1.7
145.10071	4.1
147.08000	2.1
147.11687	7.9
149.09625	2.6
149.13228	20.6
151.11128	8.8
157.10075	3.5
159.11678	14.6
161.09592	1.5
161.13213	1.6
163.11140	1.9
165.12698	2.6
169.10144	1.9
171.06544	1.4
171.08125	1.5
173.04422	8.9
173.13177	1.4
175.11201	4.0
177.12738	9.7
183.06502	2.8
183.13806	5.0
187.13326	8.6
193.12238	2.7
195.13789	12.2
201.14839	4.5
209.11668	1.7
213.14864	3.2
227.09155	1.7
227.12741	1.8
257.17456	2.4
267.15854	4.4
269.17337	9.1
273.18533	2.2
283.18967	3.8
291.19656	2.7
295.15179	1.5
303.15738	1.5
321.16931	3.0
339.18137	7.8
395.20517	4.7
421.29745	2.3
437.28864	17.1
451.30417	10.0
453.32016	1.7
463.30542	5.5
495.33005	4.4
520.32813	1.3
545.30774	2.2
563.32056	2.1
589.33679	2.3
607.26678	1.4
607.34772	12.9
621.23370	1.6
621.33447	1.7
639.37018	25.5
663.37811	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26928	1.8
51.02366	2.1
53.03932	6.9
55.01863	27.5
55.05500	39.5
57.03431	20.1
65.03922	5.9
67.05493	78.7
69.03424	9.0
69.07056	46.3
79.05481	73.9
81.03391	10.2
81.07043	68.8
82.11687	1.6
83.04965	11.1
83.08599	15.6
85.06512	10.1
91.05462	72.9
93.07026	52.6
95.01324	6.4
95.04951	43.6
95.08591	36.9
97.02893	6.9
97.06509	43.5
97.10160	15.1
98.21205	9.0
99.08115	3.4
103.05467	3.5
105.04577	2.1
105.07010	78.8
106.07325	2.2
107.04932	27.5
107.08580	39.7
108.04481	2.3
109.06503	49.3
109.10129	15.3
111.04418	2.3
111.08075	7.6
113.05982	22.8
115.05439	4.7
116.06216	3.4
117.06998	30.3
117.07774	2.5
119.04929	2.8
119.08553	41.2
121.06522	7.1
121.10114	13.2
123.04409	1.9
123.08042	9.0
123.11691	5.0
125.09587	11.5
128.06203	4.2
129.06987	16.9
130.07823	3.0
131.08548	36.7
131.09468	3.2
133.06529	7.5
133.10107	39.4
135.08028	26.1
135.11673	12.1
137.09621	6.4
139.07466	2.4
141.07019	3.9
142.07797	3.3
143.08554	16.0
145.06488	5.1
145.10095	31.8
147.08023	9.5
147.11687	17.0
149.09595	19.6
149.13255	6.2
151.07504	2.4
151.11143	2.6
155.08580	5.3
157.10107	12.0
159.08066	6.1
159.11693	21.3
161.09599	10.7
161.13281	6.9
163.11145	11.4
163.14883	2.2
165.09137	4.4
165.12729	1.8
167.08571	3.8
169.10013	8.4
171.11642	10.4
173.09622	3.7
173.11784	3.2
173.13278	9.9
175.11220	7.6
175.14815	2.4
177.12714	6.5
179.14276	11.4
181.10133	3.3
183.11728	7.1
185.09622	3.4
185.13313	5.1
187.11209	5.9
187.14780	3.7
189.11244	6.8
189.12790	2.3
195.11832	2.9
195.13724	2.3
197.13275	4.9
199.11250	2.0
199.14832	6.0
201.12772	2.5
201.32809	1.7
205.12213	1.9
209.13309	2.5
211.14799	3.1
213.16281	2.4
217.15788	9.2
221.13138	1.9
223.13135	8.4
227.12723	2.3
227.17960	4.0
239.17957	4.1
245.18877	3.2
247.20473	1.9
249.14922	3.6
255.17451	5.0
257.18927	17.3
263.19989	2.0
273.18430	38.3
275.20029	66.6
291.19482	100.0
293.21063	2.9
331.22668	7.0
347.22018	9.1
349.23706	10.6
361.14606	2.6
365.23438	3.6
459.12622	1.9
547.37976	2.5
621.42371	11.3
639.27441	3.9
639.42511	89.6
640.42578	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	640.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01866	1.8
55.05497	5.0
57.07068	2.0
59.04995	1.8
61.02893	1.5
67.05500	18.0
68.31851	1.2
69.03418	8.2
69.07053	12.4
69.36938	14.3
70.06561	2.5
71.04977	5.0
79.05483	6.0
79.50605	1.2
81.02937	1.1
81.03397	5.5
81.07042	34.3
82.07350	1.6
83.04967	2.1
83.08603	4.4
84.04497	1.2
85.02890	7.8
85.06532	1.7
87.00822	3.9
90.34003	1.2
91.05473	4.9
93.07027	22.1
95.04955	17.0
95.08595	28.6
96.08894	1.4
97.02854	5.6
97.06520	3.9
97.10165	2.3
98.20744	2.4
99.04444	2.8
105.01844	3.0
105.07027	8.2
106.02912	1.5
107.04951	4.2
107.08572	18.0
108.08143	1.4
109.02850	4.6
109.06519	4.9
109.10139	47.9
109.10883	2.7
111.08070	2.9
111.11731	1.6
119.08554	9.1
121.06464	2.7
121.10118	19.9
123.04448	1.6
123.08065	1.9
123.11678	15.3
124.03946	2.0
125.06001	1.9
125.09589	1.9
127.03921	5.5
129.05331	1.3
131.08546	2.7
133.10110	5.6
135.08028	3.5
135.11694	5.9
137.05949	1.6
137.09595	63.6
137.13293	1.9
139.03847	1.9
139.11165	1.8
143.06944	1.5
143.08571	1.8
145.10127	4.5
147.08038	4.8
147.11658	4.8
149.09618	3.6
149.13205	1.9
151.11201	4.5
153.12746	2.5
155.10619	1.7
159.02872	1.9
159.11629	2.5
161.09575	2.6
161.13292	2.4
163.03938	2.5
163.07512	1.9
163.11119	1.5
163.14819	3.0
165.09091	100.0
166.09454	1.5
167.07100	2.3
167.10699	2.9
171.10117	2.2
173.09679	2.0
173.13266	2.9
175.11185	1.8
175.14767	1.6
177.09128	2.7
177.16359	2.1
179.10670	3.1
181.12238	1.1
183.10143	11.0
187.13394	2.3
187.14821	2.0
191.10654	2.3
195.10184	1.4
197.11815	1.3
201.11223	2.3
201.16351	2.4
203.17905	1.7
242.08888	1.7
243.21002	1.8
247.79591	1.2
249.18506	1.4
257.22675	2.0
263.19986	1.4
267.19409	7.1
285.22116	2.6
287.05484	1.4
287.10214	5.5
301.21457	2.3
302.21976	2.0
303.23105	18.9
309.24298	1.6
319.22711	1.5
320.22861	1.7
321.24173	50.9
332.08572	2.2
337.23764	2.2
338.24103	2.8
339.25247	71.7
379.90305	1.3
393.22592	1.8
410.18851	1.6
569.28979	2.0
587.29889	1.6
640.26178	1.3
641.26898	4.6
662.57172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01866	2.0
55.05496	6.8
57.03427	1.4
57.07055	3.1
65.03923	2.4
67.05490	20.3
69.03416	8.8
69.07053	11.4
69.36458	2.8
69.36877	9.1
70.06567	1.9
71.04977	4.3
79.05472	6.9
81.03391	5.0
81.07037	32.0
83.04962	3.2
83.08605	4.3
85.02888	10.4
86.09675	1.4
87.00803	3.2
91.05457	5.5
93.07020	23.3
95.04948	16.2
95.08586	31.4
97.02882	4.8
97.06512	3.8
97.10126	2.4
99.04419	3.6
105.01833	1.3
105.06998	8.7
106.02894	1.6
107.04934	5.0
107.07914	1.4
107.08576	16.5
109.02834	4.6
109.06525	5.2
109.10133	42.8
111.04439	2.0
111.08066	3.1
111.11738	1.4
117.07031	2.2
119.08539	10.4
121.06499	1.5
121.10122	14.8
122.10458	1.2
123.04406	3.1
123.08048	3.1
123.11676	15.1
124.03989	1.6
125.09603	1.5
127.03902	5.6
131.08542	3.1
133.10103	7.4
135.08046	4.0
135.11674	4.7
137.05971	1.8
137.09589	61.6
137.13213	1.9
139.11125	2.6
145.10101	4.8
147.07982	8.3
147.11647	4.1
149.09570	3.9
149.13214	3.6
151.03786	1.5
151.11189	3.8
153.12675	4.2
155.10646	3.0
157.10138	2.7
159.11702	2.6
161.09619	2.5
161.13177	2.0
163.11147	1.8
163.14790	1.4
165.09084	100.0
166.09489	1.7
166.22261	1.2
167.07022	2.7
167.10703	1.8
169.12175	1.2
173.09596	1.2
173.13252	1.3
175.11215	2.0
175.14796	2.1
177.09116	1.4
177.16339	3.1
179.10689	3.7
183.10135	12.6
183.11571	1.9
187.11110	1.4
187.13213	3.1
187.14729	2.4
191.10744	1.1
193.15811	1.9
194.82896	1.5
195.09924	1.3
201.11229	3.6
201.16344	1.7
203.17818	1.3
207.13756	1.2
231.05229	1.2
249.18507	2.7
257.04605	1.2
257.22705	1.4
267.05341	1.1
267.19409	7.1
279.23123	1.7
281.21042	1.2
285.21936	1.9
287.05399	3.1
287.10220	7.6
299.21838	1.4
301.21582	2.5
302.21982	1.6
303.23099	13.9
307.26129	1.4
319.22763	1.6
320.23071	1.7
321.24167	48.8
321.27963	2.6
337.23669	1.7
338.24115	1.8
339.25220	65.0
392.20779	1.3
436.98239	1.1
440.70282	1.1
641.26923	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01866	1.8
55.05497	5.0
57.07068	2.0
59.04995	1.8
61.02893	1.5
67.05500	18.0
68.31851	1.2
69.03418	8.2
69.07053	12.4
69.36938	14.3
70.06561	2.5
71.04977	5.0
79.05483	6.0
79.50605	1.2
81.02937	1.1
81.03397	5.5
81.07042	34.3
82.07350	1.6
83.04967	2.1
83.08603	4.4
84.04497	1.2
85.02890	7.8
85.06532	1.7
87.00822	3.9
90.34003	1.2
91.05473	4.9
93.07027	22.1
95.04955	17.0
95.08595	28.6
96.08894	1.4
97.02854	5.6
97.06520	3.9
97.10165	2.3
98.20744	2.4
99.04444	2.8
105.01844	3.0
105.07027	8.2
106.02912	1.5
107.04951	4.2
107.08572	18.0
108.08143	1.4
109.02850	4.6
109.06519	4.9
109.10139	47.9
109.10883	2.7
111.08070	2.9
111.11731	1.6
119.08554	9.1
121.06464	2.7
121.10118	19.9
123.04448	1.6
123.08065	1.9
123.11678	15.3
124.03946	2.0
125.06001	1.9
125.09589	1.9
127.03921	5.5
129.05331	1.3
131.08546	2.7
133.10110	5.6
135.08028	3.5
135.11694	5.9
137.05949	1.6
137.09595	63.6
137.13293	1.9
139.03847	1.9
139.11165	1.8
143.06944	1.5
143.08571	1.8
145.10127	4.5
147.08038	4.8
147.11658	4.8
149.09618	3.6
149.13205	1.9
151.11201	4.5
153.12746	2.5
155.10619	1.7
159.02872	1.9
159.11629	2.5
161.09575	2.6
161.13292	2.4
163.03938	2.5
163.07512	1.9
163.11119	1.5
163.14819	3.0
165.09091	100.0
166.09454	1.5
167.07100	2.3
167.10699	2.9
171.10117	2.2
173.09679	2.0
173.13266	2.9
175.11185	1.8
175.14767	1.6
177.09128	2.7
177.16359	2.1
179.10670	3.1
181.12238	1.1
183.10143	11.0
187.13394	2.3
187.14821	2.0
191.10654	2.3
195.10184	1.4
197.11815	1.3
201.11223	2.3
201.16351	2.4
203.17905	1.7
242.08888	1.7
243.21002	1.8
247.79591	1.2
249.18506	1.4
257.22675	2.0
263.19986	1.4
267.19409	7.1
285.22116	2.6
287.05484	1.4
287.10214	5.5
301.21457	2.3
302.21976	2.0
303.23105	18.9
309.24298	1.6
319.22711	1.5
320.22861	1.7
321.24173	50.9
332.08572	2.2
337.23764	2.2
338.24103	2.8
339.25247	71.7
379.90305	1.3
393.22592	1.8
410.18851	1.6
569.28979	2.0
587.29889	1.6
640.26178	1.3
641.26898	4.6
662.57172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1705
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03922	0.5
55.01853	0.2
57.03418	0.6
61.02917	1.3
65.03923	0.2
69.03420	2.9
70.06566	0.3
71.04959	0.4
71.68553	0.2
73.02898	0.4
73.13848	0.1
80.15435	0.1
81.03404	1.4
85.02895	6.9
87.04441	0.3
91.03931	0.3
91.05428	0.2
92.02618	0.7
93.03395	0.7
97.02876	2.6
99.04419	0.5
107.04935	0.1
109.02853	0.9
111.00778	0.3
111.04349	0.2
119.04898	0.2
121.02876	0.8
123.04392	0.9
124.77816	0.1
126.03079	0.2
127.03899	1.5
135.04448	0.1
137.02306	0.2
139.03883	2.1
145.04919	0.9
147.04361	0.5
151.03877	1.1
153.01797	5.6
163.03871	0.7
164.83185	0.1
165.01833	0.6
165.05478	0.2
173.05981	0.2
175.03842	0.2
177.05435	0.4
183.02901	0.3
187.03876	0.2
199.03961	0.2
201.05481	0.8
203.03384	0.4
215.03477	0.2
217.04997	0.7
218.05652	0.4
224.70628	0.2
228.04120	1.1
229.04916	2.7
231.02853	0.3
233.04340	0.2
237.00545	0.2
243.06503	0.2
245.04434	0.9
246.05170	1.3
251.10736	0.2
253.04990	0.1
255.01932	0.3
256.03705	0.2
257.04419	2.4
258.04974	0.2
261.07458	0.3
269.04474	0.2
271.05972	0.7
273.03860	1.3
274.04666	4.3
275.05026	0.2
284.03058	0.4
285.03906	3.8
288.06265	0.2
297.03864	0.2
299.05325	0.3
301.03113	0.2
302.04169	11.9
303.04562	0.6
315.04810	0.3
317.06509	100.0
318.06833	3.9
359.07422	0.2
382.55249	0.1
403.08499	0.1
449.08200	0.2
461.05566	0.2
474.72592	0.1
479.11923	6.2
480.12180	0.3
489.10211	0.3
541.65637	0.1
641.14587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1703
Annotation	Rhamnetin 3-galactosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03928	0.8
55.01867	0.9
55.05490	0.4
57.03423	1.4
57.07072	0.2
61.02916	2.1
67.05479	0.5
69.03418	5.3
69.07039	0.5
69.54936	1.7
71.04971	1.1
73.02887	0.8
79.05480	0.3
81.03403	2.9
81.07040	1.6
83.04964	0.5
83.08617	0.3
85.02893	21.9
85.06517	0.6
86.03207	0.4
87.00799	0.4
87.04443	0.2
87.57080	0.2
91.03937	0.9
91.05463	0.4
92.02602	0.6
93.03394	0.9
93.07027	1.1
95.04932	0.7
95.08597	1.1
97.02878	7.5
98.20699	0.4
99.04453	1.1
99.08100	0.4
105.01837	0.4
105.07004	0.7
106.07193	0.2
107.08571	1.3
108.08888	0.3
109.02859	2.3
109.06456	0.2
109.10135	0.5
111.00754	0.2
111.08098	0.2
119.08577	0.6
121.02846	0.9
121.10126	1.3
122.10466	0.3
123.11681	0.4
126.03146	0.5
127.03900	5.0
131.08533	0.3
133.10112	0.5
135.11687	0.6
137.05870	0.2
139.03891	1.0
145.04941	5.7
145.10068	0.4
147.11708	0.4
151.03876	0.7
153.01804	6.4
157.10086	0.3
159.11613	0.3
163.03830	0.3
163.06024	0.8
165.01828	0.6
171.02832	0.2
176.14931	0.2
177.16393	1.3
178.16653	1.0
190.14217	0.2
195.17432	0.5
200.04745	0.3
201.05446	0.7
201.16429	0.2
203.03403	0.4
213.18333	0.4
217.04877	0.4
218.05750	0.6
228.04097	1.0
229.04915	2.8
243.06494	0.2
245.04514	1.0
246.05263	1.6
249.18491	0.5
256.03595	0.3
257.01941	0.3
257.04388	2.2
260.03241	0.4
261.07431	0.3
267.19531	0.7
271.06085	0.3
273.03900	1.6
274.04675	3.6
284.03116	0.2
285.03897	3.8
285.20792	0.2
286.04501	0.2
288.06186	0.2
301.03131	0.2
302.04172	11.8
303.04874	0.4
317.06509	100.0
318.03458	0.3
318.06873	3.2
321.24161	0.3
329.06461	0.4
333.06104	1.0
339.25204	0.2
359.07755	0.9
396.21176	0.2
443.09583	0.2
588.72577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1703
Annotation	Isorhamnetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
50.73169	0.2
53.03918	0.4
55.01847	0.7
57.03424	1.1
59.65847	0.2
61.02918	1.6
65.03937	0.3
65.25062	0.2
67.05490	0.3
69.03093	0.3
69.03418	3.4
70.06581	0.4
71.04966	0.6
71.69904	0.5
73.02889	0.6
75.45456	0.2
81.03400	1.8
81.07025	0.3
81.11350	0.2
83.04973	0.3
85.02895	13.4
86.24243	0.2
87.04451	0.4
91.03922	0.8
92.02586	0.5
93.03365	0.6
93.07007	0.3
95.04951	0.3
97.02884	4.2
99.04435	0.7
103.03938	0.2
105.06994	0.2
107.08575	0.3
109.02844	1.4
109.06510	0.2
109.10191	0.3
111.00768	0.3
120.08117	0.3
121.02857	1.1
123.04421	0.6
126.03059	0.4
127.03893	3.3
135.04442	0.2
137.02278	0.4
139.03891	1.1
145.04922	3.5
147.04341	0.3
151.03873	0.9
153.00627	0.5
153.01799	6.2
163.03810	0.3
163.06047	0.3
165.01843	0.6
171.52998	0.3
183.02849	0.3
187.03918	0.3
200.04865	0.2
201.05443	0.6
203.03380	0.4
217.04874	0.5
218.05685	0.3
228.04156	0.9
229.04941	2.6
231.02809	0.3
245.04446	0.9
246.05173	1.2
256.03546	0.4
257.04419	2.9
259.06146	0.4
260.03195	0.4
261.07336	0.3
271.05988	0.7
273.03830	1.6
274.04648	3.5
284.03226	0.6
285.03925	4.0
287.05432	0.5
297.03864	0.5
299.05270	0.4
302.04172	12.7
303.04633	0.7
315.04993	0.3
317.06509	100.0
318.03522	0.4
318.06891	3.7
329.06482	0.4
333.05945	2.0
359.07523	0.7
393.09372	0.3
449.08234	0.4
479.12112	1.1
489.09827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1702
Annotation	Isorhamnetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
51.07499	0.1
53.03934	0.7
55.01862	0.9
55.05504	0.3
57.03428	1.3
58.48036	0.1
59.04992	0.2
61.02916	2.7
65.03927	0.2
65.67086	0.1
67.05497	0.7
68.08514	0.1
68.99789	0.2
69.03417	6.2
69.07050	0.5
70.06573	0.2
71.04977	1.1
71.69107	0.2
73.02901	0.9
79.05479	0.6
81.03405	2.9
81.07036	1.5
83.01333	0.2
83.04963	0.7
83.08586	0.2
85.02888	24.0
85.06525	0.5
86.03216	0.3
87.00806	0.3
87.04451	0.6
89.07179	0.1
91.03944	1.0
91.05448	0.3
92.02612	0.8
93.03387	0.7
93.07023	1.0
95.04948	0.6
95.08592	1.3
97.02872	7.7
97.06507	0.2
97.10114	0.2
98.03206	0.1
99.04450	1.3
99.08085	0.3
105.01843	0.4
105.06995	0.9
107.08581	1.4
108.08904	0.2
109.02859	2.5
109.06503	0.3
109.10123	0.7
111.00784	0.3
111.08089	0.3
113.05922	0.2
115.03889	0.3
119.08569	0.6
121.02821	1.0
121.10115	1.7
122.10460	0.4
123.04391	0.2
123.08042	0.2
123.11683	0.5
125.09611	0.2
126.03132	0.3
127.03899	5.8
131.08479	0.2
133.10139	0.4
135.08055	0.2
135.11662	0.5
136.11987	0.1
137.02348	0.3
137.05946	0.4
137.09584	0.4
139.03865	0.9
145.04930	7.1
145.10107	0.4
147.04338	0.2
147.11658	0.4
149.13225	0.3
151.03877	0.8
151.11169	0.3
153.01797	6.1
157.10159	0.2
159.11665	0.2
161.05939	0.3
161.13237	0.2
163.03915	0.3
163.05969	0.8
163.11185	0.2
165.01828	0.6
169.12173	0.2
175.14888	0.1
177.05504	0.2
177.16364	1.7
178.16708	1.2
183.02881	0.2
183.04388	0.2
187.14803	0.3
189.16296	0.2
195.17419	0.3
196.17702	0.2
201.05434	0.8
203.03352	0.3
203.17943	0.2
213.18423	0.3
214.18840	0.2
217.04915	0.6
218.05675	0.5
219.02867	0.3
228.04121	0.8
229.04941	2.8
231.02808	0.3
231.17368	0.3
233.04523	0.2
237.18518	0.1
245.04460	1.0
246.05164	1.5
249.18495	0.6
257.04395	2.5
260.03131	0.3
261.07608	0.3
267.19492	1.1
271.05991	0.3
273.03876	1.8
274.04681	3.8
284.03177	0.4
285.03891	3.7
285.06839	0.1
286.04468	0.2
299.05368	0.2
301.03415	0.2
302.04153	11.7
303.04568	0.6
315.04791	0.2
317.06494	100.0
318.06857	4.3
321.24042	0.4
329.06378	0.4
333.05957	1.6
341.06128	0.2
359.07632	0.9
383.07590	0.3
449.08826	0.2
567.24506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2958
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.02365	0.5
53.03933	1.3
55.01865	2.6
55.05503	6.0
57.03429	5.2
57.07063	0.6
63.14609	0.3
65.03930	1.3
67.05492	16.7
68.05839	0.8
69.03423	0.8
69.07063	5.4
71.04984	1.3
71.08617	0.4
71.69668	0.5
71.75529	0.4
79.05483	11.7
80.05811	0.4
81.03416	1.2
81.07043	12.5
82.07374	0.7
83.04961	1.7
83.08602	2.3
85.06521	5.1
91.05461	11.4
93.07030	10.2
95.01347	0.4
95.04949	9.0
95.05506	0.6
95.08584	7.1
96.05274	0.6
97.06523	2.8
97.10177	1.1
99.08080	0.5
105.07016	11.0
107.04944	3.5
107.08581	6.7
107.09256	0.6
109.06497	6.9
109.10135	3.2
110.06834	0.4
111.08072	1.1
113.05990	16.1
115.05463	1.1
117.07005	4.6
119.08557	7.4
119.09288	0.6
121.06524	1.5
121.10104	3.4
123.04424	0.6
123.08076	1.7
123.11729	0.8
125.09603	1.9
128.06168	0.7
129.06998	3.1
130.07793	0.6
131.08536	7.0
133.06482	1.0
133.10115	5.2
135.08032	4.6
135.11653	2.4
136.08391	0.6
137.09607	0.6
139.11128	0.4
141.06982	1.1
141.09157	0.5
142.07707	0.6
143.08559	3.3
144.09206	0.3
145.06505	0.7
145.10094	5.0
146.10422	0.4
147.08002	0.9
147.11650	3.6
149.09618	2.3
149.13264	0.8
151.11172	0.7
155.08496	2.4
156.09344	0.5
157.10081	3.2
159.08035	0.9
159.11687	3.8
161.09657	1.3
161.13202	2.7
163.11197	1.6
165.09085	0.4
167.08583	1.1
169.10135	2.1
171.11646	3.2
173.09557	0.4
173.13240	2.4
175.11237	0.9
175.14796	0.7
176.40262	0.4
177.12737	1.1
179.08562	0.6
179.14333	0.8
181.10135	1.3
182.10954	0.6
183.11671	2.0
185.13214	1.8
187.11180	0.7
187.14824	0.9
189.11220	0.8
195.11737	1.2
195.13770	0.6
197.13260	1.4
199.11101	0.5
199.14865	1.1
201.12831	0.5
201.16423	0.5
207.11658	0.5
209.13315	1.1
211.14751	0.5
213.16302	0.5
217.15889	1.4
221.13217	0.6
223.14853	0.6
225.10294	0.7
225.16563	0.7
227.12727	0.6
227.17929	0.5
229.19572	0.7
233.13214	0.6
233.15421	0.5
235.14717	0.5
237.10324	0.5
239.11868	0.6
239.17915	0.9
241.19547	0.8
247.20448	0.5
249.16489	0.5
251.11815	0.5
255.17274	0.4
257.18994	2.0
259.20639	1.9
273.18353	2.2
274.19034	0.6
275.19980	7.5
276.20416	0.4
279.16028	1.4
291.19525	5.7
292.19919	1.5
293.20532	0.5
300.14935	0.5
316.14783	0.4
325.15451	0.5
328.14450	0.7
330.16022	0.6
331.22617	0.4
333.24258	1.4
340.14420	0.5
341.61093	0.4
342.16110	0.5
349.23627	3.1
356.17691	0.5
365.23438	1.2
376.16980	0.5
377.17923	0.6
381.28241	0.5
389.17722	0.5
391.19257	1.3
402.18097	0.5
404.15887	0.7
405.20676	1.3
406.21616	1.1
407.22528	0.5
418.18005	1.5
419.17883	1.8
420.23615	0.7
421.24057	0.6
423.21869	0.6
425.42426	0.5
430.21286	0.6
431.18628	0.7
432.19678	1.4
433.20337	3.5
434.21140	2.0
435.22147	1.0
437.19980	0.8
437.34601	0.5
439.17682	0.5
445.19952	0.5
447.17697	1.6
447.22147	1.5
448.23077	1.1
449.23264	1.6
450.20462	0.7
460.23193	0.6
461.19427	10.8
461.29514	0.5
462.20520	3.9
463.21042	0.8
465.18988	1.8
467.24518	2.4
475.21704	0.9
476.22137	3.2
477.22845	3.3
479.20950	1.7
480.21494	1.2
489.22888	1.3
493.22299	1.3
494.22684	3.2
495.23944	1.6
503.24469	0.5
507.24292	0.7
513.36584	1.2
520.24420	1.0
521.22278	1.6
523.23602	0.6
531.38287	1.0
533.22076	0.7
534.25995	0.5
535.26874	1.3
548.23871	3.6
549.24866	1.7
549.39502	1.0
551.37402	0.8
553.28052	1.6
563.26459	6.0
564.25867	0.6
565.24738	0.7
567.40118	0.7
569.38574	1.0
576.23865	1.0
581.27551	11.1
587.41034	0.7
593.24255	0.8
605.42194	1.8
608.26605	2.0
609.26721	0.7
623.29242	1.8
623.42920	9.3
640.43005	0.4
641.29620	100.0
641.43292	5.3
642.29950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74986	0.3
53.03938	0.7
55.01861	2.1
55.05503	4.5
57.03424	1.6
57.07062	0.4
65.03919	0.7
67.05495	8.0
68.05807	0.3
69.03433	0.4
69.07056	3.8
69.62032	2.8
71.04979	0.9
79.05477	8.4
81.03413	0.7
81.07043	7.8
83.04963	1.4
83.08608	2.0
85.06529	0.6
85.52020	0.3
91.05463	6.9
93.07033	6.2
95.04961	2.0
95.08594	4.8
97.06520	3.0
97.10167	1.4
105.07015	5.9
107.04941	2.7
107.08566	6.1
107.09234	0.5
109.06508	2.1
109.10151	3.1
111.08065	0.5
113.06013	0.5
115.05408	0.4
117.06997	3.1
119.08549	3.9
121.06493	0.7
121.10085	2.5
123.08057	0.6
123.11713	0.9
125.09615	1.9
128.06219	0.4
129.06949	1.9
130.07916	0.4
131.08566	3.7
133.06458	0.7
133.10124	3.6
135.08057	1.3
135.11690	1.0
137.09669	0.6
139.11256	0.4
141.06952	0.8
143.08525	1.5
145.06435	0.5
145.10112	4.1
147.08089	0.4
147.11665	3.4
149.09592	3.1
149.13290	0.4
151.11140	0.6
155.08572	0.9
157.10107	1.4
159.11649	2.6
161.09578	0.5
161.13232	0.9
163.11186	1.1
165.09007	0.3
165.12801	0.4
167.08606	0.5
169.10120	1.1
171.11681	1.4
173.09581	0.4
173.13281	1.1
177.12743	0.6
179.14305	0.6
181.00180	0.3
181.10101	0.5
183.11708	1.2
185.13289	0.8
187.11102	0.6
189.11255	1.0
195.11702	0.9
197.13243	1.1
199.14873	0.5
211.14824	0.7
213.16415	0.9
227.12788	2.0
229.19662	0.6
237.16393	0.4
239.18001	0.6
247.20647	0.7
254.49464	0.3
257.19022	1.7
273.18469	0.9
275.20026	9.4
291.19577	0.7
293.21301	1.0
314.12781	0.3
333.24344	0.4
348.93378	0.3
349.23654	4.6
377.17841	0.4
379.19128	0.9
390.18756	0.5
391.19330	1.5
392.20102	1.0
393.20703	1.3
395.22333	0.5
397.31317	0.3
405.16446	2.4
405.21521	0.7
406.17130	1.5
407.22568	4.6
408.23294	0.4
409.23975	0.5
418.17773	0.7
419.18390	3.6
419.23651	0.4
420.19339	2.6
420.24051	0.4
421.20148	4.5
423.21869	1.2
430.48715	0.3
433.20291	4.5
434.21405	3.3
435.17014	0.6
435.21909	6.7
436.22452	1.0
437.24130	0.3
447.21921	1.3
448.22400	1.0
449.19507	8.1
450.20041	0.6
461.29666	0.3
462.20065	0.7
463.20752	2.5
464.22171	1.9
465.18951	0.9
466.23743	0.5
467.24533	0.8
477.22644	0.8
479.20557	0.7
481.22104	2.2
493.21252	1.6
494.22922	2.8
495.23883	2.9
496.23975	0.4
507.24057	2.0
521.25726	9.0
522.26105	0.6
523.26758	1.0
526.25500	0.6
529.35205	0.6
535.23193	0.5
539.22888	1.2
543.36292	0.5
549.24884	0.7
549.38879	0.5
551.27368	0.4
553.27673	0.7
563.26489	0.7
567.40790	0.4
581.27563	18.7
582.28033	0.6
605.41669	0.9
609.26556	0.4
610.28198	0.5
623.42981	4.6
641.29590	100.0
642.30164	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01857	3.1
55.05507	8.5
57.03419	2.3
57.07062	1.0
65.03920	1.1
67.05140	1.0
67.05495	18.8
69.03446	1.1
69.07051	7.7
71.04991	1.8
71.69669	0.9
79.05484	13.8
80.32215	0.6
81.03405	1.9
81.07044	17.4
83.04959	2.4
83.08598	5.3
91.05470	13.2
93.07034	12.7
95.04958	3.9
95.08586	10.1
97.06502	3.8
97.10173	2.8
103.05476	0.8
105.07018	13.2
107.04929	3.3
107.08582	8.5
109.06514	3.2
109.10139	5.7
111.08075	1.4
113.14159	0.6
115.05428	0.8
117.06994	5.6
119.08568	9.8
121.06520	1.3
121.10115	4.7
123.08050	1.4
123.11687	1.7
125.09616	2.5
128.06174	0.9
129.06969	4.5
131.08542	7.6
133.06448	0.7
133.10100	6.9
135.08026	2.9
135.11658	3.2
137.09650	0.7
141.06952	1.3
142.07764	0.8
143.08569	3.4
145.10101	6.1
147.07997	0.6
147.11662	6.1
149.09604	2.0
149.13243	1.2
151.11230	0.9
155.08517	1.2
157.10124	3.8
159.08026	1.5
159.11644	4.2
161.13284	2.2
163.11147	2.2
167.08636	0.9
169.10130	1.5
171.11674	3.0
173.13287	2.8
175.11206	0.9
175.14769	1.3
177.12740	0.8
179.14322	1.2
181.10167	1.1
183.11681	1.9
184.07338	0.8
185.09581	0.7
185.13301	2.6
187.14771	1.0
187.89886	0.7
189.11232	1.1
195.11720	0.9
197.13326	1.3
199.14935	1.4
201.16350	0.9
209.13290	1.7
211.14830	1.3
213.16405	0.9
227.12743	1.3
237.13930	1.0
239.17825	0.9
241.19580	1.4
245.19263	0.8
247.20609	1.2
257.19016	1.6
259.20517	3.3
271.16922	0.7
273.18552	2.0
275.20013	12.2
289.17950	2.4
291.19534	6.5
299.30481	0.7
307.19156	0.8
333.24344	2.5
335.25916	2.3
349.23697	2.9
365.23264	2.2
378.18372	0.8
379.30090	0.9
387.16306	0.7
389.17819	1.0
391.19122	1.2
392.19769	1.0
393.20456	0.7
401.17633	1.1
402.18655	1.3
403.19241	2.6
404.20032	1.8
405.20688	1.7
406.21725	1.4
407.22348	1.4
415.19366	3.9
416.20078	2.9
417.20709	5.3
418.21680	2.3
419.22690	1.2
421.23837	2.0
429.20853	3.8
430.21509	2.9
431.22858	4.2
431.47308	0.7
432.23633	1.1
433.24100	7.4
434.24316	1.2
435.21765	1.7
443.22537	1.6
444.23187	2.9
445.25040	4.0
446.24863	1.5
447.17868	1.5
447.25320	1.8
449.23581	0.9
457.20288	1.3
459.21667	2.9
459.26596	1.2
460.22400	3.5
461.19699	2.6
461.26990	1.2
462.20172	3.3
463.20929	4.3
472.22308	2.4
473.23428	4.9
474.24646	3.2
475.21109	6.8
476.21814	2.0
477.15979	1.4
477.22824	18.5
477.29440	1.4
478.23318	0.8
485.23370	2.7
486.23907	0.8
487.24945	6.2
489.22992	1.7
490.23810	1.5
491.24329	5.3
503.24777	1.8
505.26025	3.5
506.26971	3.1
513.36017	0.8
515.24390	2.1
518.23199	1.3
519.27350	2.0
521.21582	1.0
523.26898	1.1
529.35034	1.1
531.38422	1.1
532.24683	1.7
535.23883	2.4
543.73071	0.8
545.25494	9.7
546.26221	1.4
547.27020	20.4
547.35400	1.1
549.24976	15.8
549.39020	1.2
550.25684	19.2
563.26495	2.6
564.27112	2.8
577.28107	2.0
579.29590	11.3
591.25867	18.8
605.27527	25.8
605.42017	1.3
623.28558	100.0
623.43073	6.9
624.28772	3.3
641.43951	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	641.2958
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
49.99965	0.6
53.03930	1.6
54.28687	0.7
55.01852	3.6
55.05321	0.6
55.05509	6.9
57.03427	3.5
65.03923	1.3
67.05495	13.2
69.03452	0.7
69.07051	6.7
71.04972	1.5
71.68789	1.2
71.69226	1.2
79.05481	12.5
81.03416	1.7
81.07040	15.1
83.04974	1.8
83.08608	3.7
85.06503	1.6
90.45411	0.6
91.05463	12.1
93.07024	10.2
95.04939	4.9
95.08591	9.7
97.02912	1.2
97.06517	6.7
97.10150	1.9
99.08090	1.0
105.07014	11.6
107.04958	5.7
107.08578	6.5
109.06503	3.8
109.10143	3.2
113.05983	3.3
113.09655	1.1
117.06980	4.9
119.08576	6.7
121.06525	2.0
121.10124	3.0
123.08048	1.1
123.11688	1.1
125.09579	1.5
128.06267	0.9
129.06995	2.0
131.08531	5.4
133.06461	0.9
133.10092	6.3
135.08049	1.5
135.11678	2.4
137.09618	1.3
143.08539	2.4
145.10094	5.8
146.08087	0.8
147.11635	3.4
149.09647	2.9
149.13263	1.0
151.11142	1.0
154.96153	0.7
155.08531	1.6
157.10129	2.0
159.08008	1.1
159.11688	3.0
161.09602	1.2
161.13234	2.5
161.28870	0.8
163.11183	1.4
169.10052	1.7
171.10283	1.1
171.11707	2.0
173.13260	1.5
174.39293	0.9
179.14433	0.8
183.11772	0.8
185.10797	0.9
185.13326	1.0
197.10728	1.5
197.13293	1.3
202.01222	0.7
207.11429	0.7
210.11435	0.9
211.12288	1.8
211.14937	0.8
212.35596	0.7
219.17470	1.2
221.10927	0.7
224.13095	1.3
225.14029	1.3
227.12154	1.0
229.19499	0.8
237.13889	1.2
238.14621	1.0
239.15416	1.9
239.17870	1.0
249.13718	0.7
257.19009	1.6
271.16953	1.1
275.20050	11.9
289.17969	2.2
290.13309	0.8
291.19687	1.1
293.21106	1.5
304.14609	1.0
305.15054	0.9
306.19498	0.8
307.19064	0.9
313.15445	1.6
314.16382	0.9
318.16422	0.9
319.16885	1.0
330.16028	1.3
349.23636	6.1
360.16916	0.8
374.18649	1.1
384.17178	1.9
389.17932	1.7
391.19397	0.9
392.19772	2.5
393.20483	1.2
401.17731	0.8
402.18317	1.3
403.19116	3.5
404.19986	2.1
405.20944	1.5
406.21381	2.5
407.22089	4.7
412.16568	1.0
415.19275	2.6
416.19870	3.3
417.20798	3.3
418.21701	2.8
419.22165	3.0
420.22913	2.1
421.23630	4.7
422.24414	8.2
426.18079	1.1
429.20941	3.6
430.21585	2.3
431.22903	3.8
432.23358	1.0
433.23972	6.3
434.24481	4.8
435.21732	0.9
443.22726	1.3
444.18765	2.5
444.23874	1.2
445.24854	4.0
446.24622	1.6
447.25882	1.5
449.23044	1.2
458.20242	1.4
459.20969	3.9
460.22357	3.0
461.19626	1.7
462.20502	3.3
463.20914	4.4
472.22333	1.5
473.23300	3.7
474.24121	2.1
475.21359	5.7
476.21979	2.3
477.22864	16.5
487.25006	5.8
489.22995	1.5
491.24329	5.3
503.24265	2.8
505.25998	3.3
506.26633	1.9
515.23981	1.7
517.21954	1.6
518.23456	1.1
519.27563	2.6
523.26434	1.0
531.23975	1.3
532.24756	1.2
535.24054	2.4
545.25452	7.3
546.26312	1.0
547.26953	14.4
549.24872	11.3
550.25592	14.6
558.22919	0.9
563.26428	3.6
564.27173	3.0
565.27814	1.4
577.27283	2.3
579.29810	8.1
581.26782	1.0
591.25952	12.2
605.27509	17.3
605.41858	1.1
606.27454	1.0
609.27081	10.0
623.28546	100.0
623.43073	5.0
624.28973	3.7
641.29260	4.9
641.44501	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	641.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80886	0.9
53.03929	3.3
55.01679	0.8
55.01866	8.5
55.05508	12.8
57.03158	2.2
57.03427	29.2
57.07053	3.8
65.03925	4.4
67.05495	50.8
69.03422	1.5
69.07056	14.4
69.67239	7.2
71.04977	4.4
79.05482	31.1
81.03395	4.3
81.07043	39.6
83.04988	5.2
83.08604	8.2
85.06030	1.8
85.06532	27.9
91.04924	2.1
91.05463	33.5
93.07032	33.1
94.07336	0.9
95.01272	1.9
95.04948	39.6
95.08591	25.6
97.06526	7.6
97.10156	3.4
99.08069	1.7
103.05449	1.6
104.10703	1.3
105.07014	36.4
107.04932	8.2
107.08573	20.4
109.06499	24.9
109.10135	9.1
111.04429	1.0
111.08084	2.9
113.05988	100.0
115.05447	1.4
116.06194	1.4
117.06995	15.7
118.20591	0.9
119.04847	1.2
119.08566	23.4
121.06489	4.6
121.10087	9.9
123.04443	1.2
123.08055	6.0
123.11651	1.7
125.09605	2.3
128.06210	3.0
129.06982	12.6
130.07776	1.5
131.04906	1.0
131.08543	24.7
133.06479	2.8
133.10112	19.5
134.10428	1.1
135.08032	17.6
135.10771	1.4
135.11623	6.6
137.09630	2.2
141.06953	4.4
141.09120	2.6
142.07764	2.3
143.08539	12.5
144.09219	1.3
145.06422	2.2
145.10110	17.9
147.08032	3.7
147.11646	12.1
149.09589	5.5
149.13231	4.5
151.11143	1.3
153.07022	1.5
155.08545	5.9
157.10107	14.4
159.08047	3.4
159.11662	13.6
161.09601	6.1
161.13248	8.6
163.11163	3.5
163.14798	1.5
165.09100	2.1
166.07817	1.4
167.08562	3.6
169.10092	6.8
171.11678	7.6
173.09601	2.1
173.13217	8.7
175.11069	1.6
175.14790	4.7
177.12706	3.2
179.08476	1.4
179.14256	1.2
181.10083	3.5
183.11676	5.9
184.07455	1.3
185.09572	1.7
185.13214	6.8
187.11209	3.3
187.14816	4.4
189.11211	1.9
189.12755	1.8
193.10117	2.1
195.11702	4.6
195.13535	1.3
197.09827	1.2
197.13232	4.2
199.11148	2.2
199.14706	5.8
201.16434	1.8
203.14288	1.6
207.11703	2.5
209.13231	2.9
211.14786	2.2
213.16327	2.0
215.17952	2.2
217.15829	4.8
219.11757	1.7
219.13889	1.3
221.13318	1.4
223.14851	2.7
227.17984	1.7
227.96529	1.0
229.19392	1.1
231.20969	1.4
237.16356	2.5
239.18018	1.1
241.19499	7.9
245.18826	1.5
255.17297	1.2
257.18997	3.9
259.20569	10.5
273.18448	9.5
275.19968	8.5
279.15808	5.8
291.19492	24.3
292.19827	2.1
295.60083	1.1
311.23938	1.5
315.23074	2.2
325.25250	1.4
327.26828	2.4
333.24231	12.5
347.22119	2.9
349.23752	3.7
365.23257	7.2
435.32382	2.3
437.33984	3.3
511.37723	2.3
513.36249	4.6
529.38959	2.1
531.38202	3.4
549.39093	4.0
551.36530	1.3
565.38440	1.6
567.40155	2.9
569.38196	1.5
605.42151	5.5
623.33002	2.0
623.42969	36.3
624.43005	2.5
641.44037	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.5
55.01848	11.7
55.05275	3.1
55.05503	49.1
57.03424	18.2
57.07069	4.3
57.48745	2.6
65.03924	6.6
65.81967	2.9
66.63407	2.5
67.05490	92.0
68.99770	7.3
69.03412	7.6
69.07051	42.5
70.42817	2.7
71.04961	7.9
71.08638	3.2
72.08109	2.9
73.06507	3.0
77.03911	2.9
79.05477	76.9
81.03417	6.1
81.07041	100.0
83.04951	12.4
83.08602	19.3
85.06508	7.6
91.05460	86.9
93.07026	85.7
95.04946	22.6
95.08594	68.7
96.08919	2.8
97.02864	2.7
97.06519	11.9
97.10155	10.9
99.08097	5.2
100.11238	16.9
101.11591	4.0
101.90594	3.0
105.04474	3.3
105.07005	81.1
107.04922	12.9
107.08580	50.1
109.06489	14.0
109.10124	38.5
111.08085	17.4
113.05994	4.0
115.05431	5.5
117.06982	30.6
119.08556	61.9
121.06461	10.5
121.10109	24.7
123.07990	7.2
123.11675	10.2
125.09577	4.0
128.06177	6.2
129.06979	27.7
130.07759	3.4
131.08548	44.8
133.06444	11.2
133.10095	67.3
134.14569	2.7
135.08017	10.7
135.11685	21.2
137.09566	7.3
139.07526	8.3
139.11125	4.7
141.06952	10.8
142.07738	5.3
143.08511	33.3
145.06422	5.8
145.10097	43.5
147.08003	11.1
147.11639	31.5
149.09552	8.5
149.13219	8.6
151.11121	12.5
154.07794	3.0
155.08534	13.6
157.10114	28.8
159.08020	8.1
159.11667	28.5
161.09564	11.8
161.13231	22.4
162.52823	3.1
163.11163	5.3
163.14783	5.0
165.12891	2.7
167.08568	5.3
169.10101	18.9
171.11650	30.0
173.09650	6.7
173.13222	18.8
175.11122	6.1
175.14713	6.8
177.12685	5.2
179.08459	5.9
181.10100	12.9
183.11670	18.9
185.13194	13.5
187.11272	3.7
187.14793	13.3
189.11182	3.4
189.12711	4.3
193.09976	3.2
195.11653	12.0
197.13190	11.2
199.14777	11.4
201.16405	4.0
203.14232	3.5
207.11623	3.8
209.13213	6.5
211.14752	5.9
213.16341	6.7
221.13179	4.6
223.14815	5.1
227.17761	4.3
229.49094	3.5
233.15384	4.8
235.14711	5.9
239.17966	4.1
241.19357	15.4
245.18961	4.8
253.14197	14.7
257.18854	3.4
259.20572	23.7
263.20105	4.1
273.18436	12.5
275.19949	8.3
283.20477	4.0
287.19952	3.4
289.17859	13.2
291.19519	15.9
295.20441	4.1
301.21539	3.8
302.62314	3.1
315.22928	3.9
333.24252	21.8
335.25793	6.0
347.22452	3.2
361.23660	3.4
363.21899	4.0
365.23193	9.1
391.29938	3.7
409.30856	8.7
427.32031	5.6
455.31033	4.2
469.32693	3.5
483.34534	9.0
487.34070	23.4
489.35721	6.0
501.35577	37.4
503.37799	9.2
507.33749	3.6
511.34134	11.1
513.36603	5.5
529.35175	10.8
531.38025	10.2
549.38995	12.5
567.39893	8.1
595.42603	5.0
605.42065	14.0
613.43817	9.0
623.42926	59.0
641.43939	56.7
642.43616	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	2.0
52.70467	2.0
53.03927	8.5
55.01863	18.8
55.05501	74.2
57.03419	12.1
57.07058	6.0
59.04982	4.1
63.08550	2.2
65.03935	5.2
67.05493	100.0
69.03429	10.4
69.07056	45.7
71.04987	16.4
79.05480	88.7
81.03389	8.8
81.07043	92.1
83.04974	11.0
83.08608	37.7
85.06506	6.0
86.87695	2.0
88.03795	2.1
91.05466	82.0
93.07027	66.2
95.04953	17.4
95.08591	54.0
97.02865	7.0
97.06520	15.5
97.10154	40.0
98.20675	5.8
99.08055	3.2
103.05419	2.5
105.07010	77.6
107.04943	12.1
107.07906	3.9
107.08579	48.7
109.06496	9.1
109.10147	29.4
111.04449	3.1
111.08051	10.0
115.05420	2.2
117.06994	32.5
119.08562	70.0
121.06470	5.4
121.10115	29.5
123.08041	9.4
123.11669	9.1
125.09623	32.7
128.05249	1.9
128.06215	9.3
129.06981	25.2
130.07784	3.2
131.08540	44.4
133.06522	4.0
133.10097	47.8
135.08017	11.3
135.11647	20.3
137.09592	10.6
137.13203	3.1
139.11150	3.1
141.06976	7.9
142.07722	7.0
143.08534	31.2
144.09329	2.2
145.06427	3.3
145.10094	36.9
147.08020	9.5
147.11658	37.2
147.12741	4.1
149.09604	7.1
149.13232	9.3
151.11150	5.1
153.09065	2.7
154.07742	4.1
155.08482	15.3
156.09285	3.9
157.10086	22.7
159.08015	5.8
159.11678	26.2
161.09573	4.3
161.13245	24.5
162.15089	2.2
163.11212	6.8
163.14864	4.0
165.07019	4.9
165.12730	2.9
167.08531	9.0
169.10117	19.9
171.11671	26.4
173.13210	19.0
175.11208	5.0
175.14798	15.5
177.12721	2.9
179.08566	4.4
181.10104	9.1
182.10857	2.7
183.11615	17.0
185.13240	16.9
187.11191	3.0
187.13248	4.6
187.14825	8.5
189.11180	19.0
189.12735	4.7
189.16383	2.4
191.08792	2.2
193.10153	4.6
194.16306	2.1
195.11740	10.8
195.13574	2.8
197.13217	14.2
199.11101	3.7
199.14777	8.4
201.16298	5.4
207.11728	4.4
209.13185	7.7
211.14766	7.0
213.16351	8.2
215.14262	3.1
215.17894	5.0
217.12025	2.9
219.11688	3.2
221.13219	4.7
223.13066	14.5
223.15094	4.6
225.16376	3.4
227.12675	22.1
227.17989	5.2
229.19547	4.7
231.20999	4.5
235.14706	3.4
237.16296	4.8
239.17949	8.5
241.19493	26.0
247.14742	2.8
251.17975	5.0
255.63846	2.3
257.18939	6.3
259.20554	42.0
263.17770	2.6
265.19528	4.2
273.18524	11.0
275.20044	25.8
277.21594	3.1
285.22018	5.8
287.23526	2.1
289.17862	5.3
291.19507	77.5
291.22769	3.9
293.21091	4.0
309.22046	2.5
315.23108	6.6
321.22076	2.3
323.23672	2.7
327.23065	2.6
327.35028	2.0
333.24203	38.2
334.24625	2.3
335.25931	6.3
336.94522	2.2
343.00409	2.0
347.22366	2.3
349.24017	4.0
363.26761	6.0
365.23145	26.3
379.29843	8.0
381.27841	7.1
397.30850	3.8
403.19125	3.1
419.29541	3.5
433.23685	4.4
437.30374	4.3
463.21121	4.6
473.23248	4.8
477.22562	6.2
487.24646	2.8
491.24680	2.5
511.34149	7.5
513.36615	6.2
525.36169	2.6
529.35242	11.6
531.38013	7.8
543.36816	3.6
547.26923	5.7
549.24609	9.5
549.39398	8.0
550.25372	7.3
567.39899	4.1
579.29663	4.8
591.25745	5.9
605.26855	8.8
605.41986	21.2
623.28320	41.5
623.42712	93.7
624.28571	5.1
624.43170	3.2
641.44012	35.2
667.18567	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.9
55.01868	13.8
55.05506	45.7
57.03426	17.1
57.07054	7.6
57.33398	2.0
59.04972	2.4
63.79620	2.0
65.03929	4.0
67.05137	4.5
67.05495	90.7
68.99785	4.5
69.03402	6.4
69.07061	35.9
69.35413	16.5
69.35828	6.2
71.04980	12.6
71.08646	2.1
73.06546	2.2
75.11025	1.8
79.05485	73.6
81.03396	8.2
81.07045	100.0
83.04972	11.6
83.08611	23.5
85.06519	5.9
91.05465	80.9
93.07030	72.6
95.04958	17.4
95.08592	62.4
97.02907	2.3
97.06523	14.1
97.10167	11.5
99.08087	4.5
103.05421	3.1
105.04535	2.5
105.07016	78.8
105.97542	2.0
107.04952	10.4
107.08579	46.6
109.06503	14.6
109.10143	34.2
111.08063	15.4
115.05430	4.5
117.07012	32.7
119.08561	59.7
121.06505	10.2
121.10139	27.7
123.04419	3.5
123.08032	11.1
123.11663	9.6
125.05936	3.3
125.09578	5.9
128.06194	6.0
129.06978	24.2
130.07730	2.6
131.08546	50.9
133.06473	6.8
133.10117	60.6
135.08044	11.6
135.11670	17.2
137.05945	2.0
137.09590	7.5
139.07512	4.7
141.06960	7.4
142.07767	5.0
142.93620	2.5
143.08540	23.5
145.06441	7.4
145.10101	41.8
147.08038	6.4
147.11665	30.8
149.09570	10.3
149.13234	8.4
151.11171	16.2
155.08546	10.0
156.09326	4.3
157.10126	22.0
159.08040	7.3
159.11667	34.9
160.08833	2.3
161.09579	7.8
161.13226	18.2
163.11166	5.6
163.14832	2.1
165.12875	2.6
167.08566	6.0
168.09320	2.3
169.10103	17.0
169.12253	2.7
171.07991	2.6
171.11661	26.9
173.09601	6.2
173.13254	18.8
175.11134	8.2
175.14807	7.0
177.12912	3.0
177.75879	2.2
179.08469	2.3
181.10007	9.6
182.10857	1.9
183.11688	18.5
185.13223	16.9
187.11176	3.9
187.14786	8.5
189.12750	3.6
189.16295	3.6
191.10692	2.3
193.10141	6.6
195.11665	10.0
195.13741	3.9
197.13251	12.9
199.11186	3.5
199.14758	12.5
201.12773	3.1
201.16411	2.7
203.14279	2.7
204.08931	1.9
207.11632	5.0
209.13290	10.3
211.11182	4.2
211.14807	7.5
213.12703	2.6
213.16362	5.2
215.14420	2.3
215.17918	2.5
217.15750	2.6
221.13280	5.2
221.67043	2.7
223.14798	5.6
225.16364	5.3
227.18010	4.5
229.15912	2.3
229.19417	2.7
233.13170	2.7
235.14758	2.4
237.16290	3.9
239.17871	4.3
241.19576	12.7
245.18947	6.7
249.16350	2.5
251.18037	2.3
253.14175	10.8
255.17354	2.2
257.18964	7.8
259.20575	25.8
261.22183	2.5
263.20093	5.6
271.16913	3.3
273.18466	15.0
275.20169	16.0
287.20093	4.0
289.17975	7.3
291.19363	17.0
297.22214	3.5
307.19089	2.6
309.20599	3.3
313.21594	3.2
315.23026	8.4
315.26492	2.6
317.24780	2.4
323.23651	3.1
325.25336	2.7
331.22845	3.4
333.24197	14.7
335.25864	8.0
349.23740	3.5
353.24573	3.5
361.23688	2.4
363.21512	3.0
365.23196	18.4
389.28207	2.7
391.29727	4.2
409.31003	13.9
427.31796	3.2
431.29733	2.5
451.31799	2.8
455.31555	2.4
483.34460	12.1
487.34293	16.4
499.34045	2.8
501.35706	30.9
503.37683	4.4
511.33902	5.2
513.36774	10.1
525.35583	3.6
529.35156	6.7
531.37653	14.3
535.34448	2.2
543.36591	6.6
549.39410	10.9
553.35284	2.5
567.39996	3.9
595.43164	8.4
599.27692	3.2
605.42102	17.0
623.42981	65.5
641.44049	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	641.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01862	31.0
55.05503	59.5
56.03289	1.7
57.03421	13.0
57.06659	1.5
57.07065	3.8
58.91331	1.9
59.04993	3.9
65.03928	5.4
65.85737	1.5
67.05495	91.8
68.02608	1.7
69.03416	8.1
69.07056	48.2
71.04988	8.8
71.41039	1.8
71.41387	2.8
75.32130	1.5
78.58576	1.7
79.05479	80.6
81.03419	8.2
81.07044	100.0
83.04956	13.8
83.08597	28.6
83.09071	2.0
85.06533	5.8
91.05465	80.4
91.06043	4.0
93.07034	68.3
93.34747	1.7
95.01328	2.7
95.04947	19.4
95.08591	56.3
95.35880	1.8
97.02875	2.4
97.06514	38.3
97.10153	35.3
99.04414	1.8
99.08073	3.0
101.05952	1.7
103.05466	2.1
104.86517	1.7
104.87250	1.5
105.07010	69.8
106.07312	1.9
107.04928	17.3
107.08572	49.7
107.18535	1.9
109.06517	11.1
109.10139	31.3
111.08065	6.6
115.05441	4.6
117.07008	32.4
119.08558	55.8
121.06478	6.9
121.10130	22.9
123.08047	6.3
123.11684	4.7
125.09605	28.1
128.06232	6.8
129.06984	28.1
130.07796	3.3
131.08553	41.5
133.06479	5.4
133.10107	46.3
135.08038	11.4
135.11667	14.8
137.09619	3.9
141.06982	10.0
142.07761	5.1
143.08531	21.9
143.10623	1.7
145.06493	4.7
145.10100	41.3
147.08018	8.1
147.11662	31.8
149.09590	13.8
149.13193	8.2
151.11172	3.1
153.07097	2.2
153.12695	2.4
155.08537	12.4
156.09373	2.6
157.10081	19.7
159.08038	7.1
159.11655	27.5
161.09612	6.9
161.13228	15.1
163.11165	8.4
163.14816	2.9
165.06979	3.4
165.09053	1.9
165.12720	2.2
166.07727	1.9
167.08546	6.5
169.10103	13.0
169.12196	2.0
171.08076	2.6
171.11685	16.9
173.09622	2.0
173.11815	2.8
173.13211	15.2
175.11206	4.2
175.14815	11.3
177.12750	4.8
179.08569	2.3
179.14310	6.8
181.10147	6.5
182.10721	1.9
183.11662	17.1
185.09619	2.8
185.13229	14.0
187.11151	2.5
187.14812	6.7
189.11217	20.0
189.12718	2.8
193.10120	2.5
193.12271	3.3
195.11693	5.5
196.12328	2.6
197.13225	11.5
199.14816	7.0
201.12682	2.1
201.16379	3.0
207.11696	4.6
209.13249	7.4
211.14799	6.6
213.12807	2.5
213.16333	4.9
217.15916	2.0
219.17465	3.1
221.13255	3.5
223.13199	7.4
223.14932	4.9
225.16447	2.4
227.12698	26.1
227.14418	2.1
227.17931	2.9
229.19513	3.1
231.21223	2.1
235.14803	2.2
237.16394	3.5
239.17891	7.1
241.19478	11.2
245.13652	2.1
247.20590	2.0
257.19034	8.5
259.20569	23.7
261.18579	2.4
265.19507	2.9
267.20917	2.3
273.18515	7.8
275.20059	54.2
281.18790	2.7
283.20627	2.1
285.22104	5.9
289.17999	4.7
291.19482	59.0
292.19812	2.7
293.21158	3.3
299.23566	3.9
301.21683	2.9
301.25385	2.2
313.21732	2.6
315.23151	3.8
327.23083	3.0
331.22702	3.2
333.24191	20.3
335.25873	4.4
337.20844	2.2
347.21777	1.9
349.23608	16.5
359.94131	2.3
363.26904	2.0
365.23215	22.5
379.29892	4.0
381.27802	2.2
397.31039	5.3
437.30243	3.3
448.18762	3.1
487.34216	2.0
494.22861	2.8
495.24106	10.4
511.34183	4.5
513.36694	4.9
525.35840	9.5
529.35095	11.2
531.38086	5.7
543.36774	9.1
549.39081	6.3
554.36505	2.8
567.40247	3.1
581.27448	27.5
582.27740	5.7
595.43658	2.1
605.41589	10.1
606.41357	2.0
623.42963	72.1
624.43079	6.3
641.29254	21.1
641.43695	37.1
642.29614	4.1
642.39532	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	641.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
51.03845	0.9
53.03930	4.0
55.01864	30.5
55.05501	22.3
57.03417	6.7
57.07036	3.5
63.37664	0.9
65.03928	3.4
65.39310	0.9
67.05495	46.4
67.62597	1.0
69.03403	3.1
69.06700	1.4
69.07056	26.9
69.81138	6.0
69.81549	2.0
71.04976	3.5
71.08598	1.4
77.03881	1.1
79.05483	47.4
81.03426	5.3
81.07042	53.6
83.04969	10.0
83.08155	1.4
83.08598	12.3
85.06516	3.0
91.05463	49.9
92.05759	1.0
93.07030	38.9
95.01305	3.9
95.04951	13.5
95.08006	2.3
95.08585	30.4
95.52863	1.0
97.02873	1.0
97.06513	54.0
97.10151	9.6
98.20763	1.3
99.08089	2.3
103.05445	1.9
105.07010	61.7
106.07279	1.2
107.04243	1.4
107.04938	22.2
107.08578	33.2
107.09320	1.7
109.06511	8.9
109.10134	11.3
111.08076	4.7
113.06020	1.5
113.09641	1.8
115.05389	2.2
117.06994	15.2
119.07737	1.9
119.08560	33.6
121.06485	5.1
121.10123	13.2
123.04327	1.7
123.08041	4.5
123.11669	3.4
125.09619	8.7
128.06152	1.8
129.06984	7.1
131.08548	23.4
133.06448	1.9
133.10107	31.7
135.08025	6.2
135.11673	8.2
137.09593	3.1
139.07545	1.9
141.06943	4.4
141.32422	1.0
143.08521	9.0
145.06462	2.5
145.10089	20.9
147.08022	2.5
147.11664	19.8
149.09601	19.2
149.13223	4.2
151.11107	3.1
155.08498	4.7
157.10068	9.0
159.08002	2.9
159.11668	12.3
161.09579	3.2
161.13219	6.5
162.05330	1.0
163.11160	9.6
165.09039	2.9
165.12715	1.4
169.10071	7.1
171.10286	1.7
171.11650	9.4
173.09515	1.2
173.11891	1.4
173.13242	6.8
175.11131	3.4
175.14731	2.1
177.12708	4.3
179.14281	12.3
181.10077	2.3
183.11635	5.5
184.79802	1.1
185.13243	4.8
187.11166	4.4
187.14738	2.4
189.11189	3.7
189.12680	1.9
195.11652	2.9
197.13240	4.9
199.11113	1.3
199.14696	2.4
201.12747	1.8
201.16298	1.2
203.14363	1.4
205.12125	1.4
205.15767	1.1
209.13177	2.4
211.14767	1.9
213.16437	1.4
215.14452	1.5
215.17889	1.9
219.13800	1.5
219.17450	2.5
223.14816	2.1
225.16313	2.1
227.12737	11.1
229.19470	4.5
233.15350	1.2
235.14554	1.3
239.17928	3.6
247.20523	4.1
257.18948	13.5
259.20517	1.7
271.16855	1.6
273.18457	2.3
275.20020	100.0
276.20340	3.1
289.17944	2.3
291.19403	3.5
293.21182	6.4
331.22568	1.3
333.24298	1.5
335.25708	1.4
349.23660	49.2
350.23843	1.2
363.21701	2.2
365.23459	2.1
434.84204	1.1
435.32397	1.4
445.29309	1.6
491.34210	1.0
513.36432	1.7
527.37140	2.5
531.38086	2.9
539.37250	2.2
549.39252	3.0
565.38593	1.4
595.42780	3.0
605.41766	3.2
623.43042	31.4
624.43048	2.5
641.43890	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	642.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01858	2.6
55.05501	7.6
57.03420	2.3
61.02908	1.4
65.03921	1.2
67.05495	20.5
69.03421	1.8
69.07056	7.8
69.44979	7.4
79.05485	16.9
81.03419	0.9
81.07046	19.3
83.04974	1.4
83.08611	3.4
85.02893	2.5
85.06514	1.0
91.03939	1.5
91.04921	1.5
91.05468	20.6
92.05761	0.8
93.07034	16.9
95.04948	3.2
95.08598	11.4
97.02850	0.8
97.06510	3.3
97.10167	3.0
98.20960	2.9
99.08067	1.2
103.43507	0.7
105.07018	21.7
106.07394	0.7
107.04903	3.2
107.08572	9.2
109.06493	2.4
109.10130	5.6
113.16105	0.6
115.05457	1.1
117.07011	10.3
119.08574	15.2
121.06487	2.6
121.10136	5.3
123.08058	1.5
123.11701	1.0
125.09665	1.2
128.06192	1.4
129.06996	7.7
131.08543	17.6
133.06499	1.4
133.10114	9.0
135.08032	2.4
135.11693	2.7
137.09561	1.3
141.06985	2.9
143.08557	6.8
145.06461	1.1
145.10097	10.4
147.08012	1.7
147.11662	3.1
149.09645	2.0
151.11166	1.1
155.08514	3.5
157.10138	5.7
159.08017	1.3
159.11668	5.4
161.13266	2.3
167.08531	1.5
169.10168	3.9
171.11665	3.7
173.13278	2.5
181.10132	2.3
183.11674	1.9
185.09496	0.8
185.13246	2.6
187.11279	0.9
187.14774	1.7
195.11789	1.7
196.37206	0.7
197.13228	2.5
199.14816	1.6
201.16270	0.7
209.13220	1.1
211.14819	1.5
223.14812	1.2
225.16415	0.8
241.19580	0.9
247.16933	1.2
261.18439	1.1
273.18729	0.7
275.20044	2.3
276.20361	1.3
309.57056	0.8
325.24982	1.0
333.24344	0.9
335.23505	1.1
343.26300	2.1
346.53610	0.7
353.24683	4.1
371.25757	5.6
389.26822	7.1
427.28394	1.7
445.29456	100.0
446.29657	3.3
463.30505	29.3
464.30881	0.9
502.15826	0.9
582.27948	1.1
624.43604	1.4
642.29535	2.3
642.39600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01853	2.2
55.05275	0.6
55.05503	7.2
57.03421	2.0
60.76823	0.5
61.02911	2.1
67.05132	1.0
67.05493	17.0
69.03409	0.7
69.07059	7.7
71.04975	2.2
73.02894	0.9
74.93452	0.5
79.05480	12.0
81.03403	1.2
81.07045	16.3
82.07378	0.6
83.04975	1.5
83.08608	4.3
85.02893	2.0
85.06522	1.3
90.27911	0.6
91.03940	1.1
91.05465	18.8
93.07027	16.5
94.07349	0.7
95.04971	3.3
95.05499	0.6
95.08591	12.6
97.02882	1.2
97.06509	2.8
97.10144	1.7
98.21081	3.1
99.52367	0.5
105.07014	20.1
105.07722	1.0
106.07348	1.2
107.04932	3.7
107.08585	8.6
109.06490	2.1
109.10143	5.5
111.08076	1.5
115.05437	0.6
117.07001	9.5
117.07800	0.9
118.07338	0.6
119.08566	12.4
120.08897	0.6
121.06455	1.1
121.10122	5.6
123.08017	1.5
123.11688	1.2
125.09634	1.1
126.20724	0.6
128.06140	1.3
129.06975	5.8
131.08543	15.0
133.06454	2.8
133.10114	8.0
134.10489	0.6
135.08037	1.9
135.11668	2.2
137.09648	0.6
141.06953	2.7
142.07742	0.6
143.08527	5.7
145.06480	1.3
145.10101	10.8
147.08029	1.8
147.11661	3.7
148.12106	0.7
149.09596	1.9
149.13272	0.6
155.05960	0.5
155.08553	2.9
157.10109	5.1
159.08034	1.2
159.11681	4.9
160.12019	0.7
161.09636	1.3
161.13278	1.3
163.11171	1.3
165.83476	0.6
167.08565	1.6
169.10092	2.8
171.11656	3.3
173.09633	0.9
173.13257	2.2
175.14893	0.6
181.10136	1.6
183.11673	2.3
185.09738	0.6
185.13254	2.1
187.11226	0.6
187.14804	0.9
195.11697	2.1
197.13217	2.0
199.14778	1.7
201.12744	0.7
201.16388	0.7
209.13242	1.2
211.14792	1.1
213.12598	0.7
215.14206	0.6
217.15842	0.7
220.17825	0.5
223.14836	1.4
229.15793	1.0
237.16454	1.0
247.16882	1.3
249.46214	0.6
257.19135	0.7
259.16846	0.7
259.81494	0.6
261.18433	0.7
273.18420	0.6
275.20081	2.5
276.05975	0.5
276.20419	2.1
325.25198	1.1
335.23792	0.8
343.26328	1.7
349.23807	0.8
350.24011	1.1
353.24686	4.6
371.25760	5.7
389.26764	7.9
427.28308	1.4
445.29443	100.0
446.29715	5.5
463.30481	22.3
464.31000	1.0
558.09174	0.7
624.43036	1.2
642.29504	1.0
642.40417	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	643.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
67.05482	2.2
68.99789	3.1
69.03414	1.9
70.06562	1.3
71.69536	2.1
85.02882	1.7
87.17506	1.0
90.26881	1.1
91.05489	2.3
97.02827	1.3
107.04921	1.9
111.04405	1.4
115.05384	1.9
119.04918	6.8
120.42564	1.2
123.04405	62.9
127.53383	1.2
131.04936	2.6
133.06468	2.1
135.04410	3.1
137.02280	2.6
139.03867	8.2
141.01785	2.0
143.04944	1.8
145.06419	1.4
145.49565	1.3
147.04378	40.1
148.49928	1.1
149.06058	1.5
150.03204	1.5
151.03867	2.2
153.01834	2.3
153.05473	1.5
155.04863	2.5
159.04442	2.7
161.05931	13.4
163.03867	9.5
163.81013	1.4
165.05447	8.6
169.06476	2.7
171.04359	2.7
173.05940	1.4
175.03865	4.6
177.05446	9.6
179.07210	1.3
183.04391	3.8
185.05974	3.8
187.03868	3.6
189.05428	53.0
191.03371	1.9
193.04926	3.2
197.05952	4.4
199.03824	7.0
201.05450	9.1
203.03352	83.3
204.03735	2.1
205.04871	2.6
207.04587	1.7
207.06465	2.6
211.03889	7.3
213.05431	6.8
215.03377	1.9
217.04922	11.2
221.04443	3.3
225.05415	4.1
227.03346	5.4
227.06973	1.4
229.04926	11.8
230.05696	1.7
233.04410	7.9
235.03877	1.4
237.05394	1.9
239.03282	2.4
239.07002	1.6
241.04921	3.5
243.06421	2.9
245.04410	28.7
247.05956	2.8
253.04895	15.3
255.02826	2.6
255.06496	4.5
257.04407	59.3
258.04977	4.6
259.05927	11.7
269.04391	6.5
271.05963	13.4
273.03940	3.8
275.05392	3.8
281.04398	25.4
281.06653	0.8
282.04794	1.5
283.05908	6.6
287.05469	8.3
299.05460	36.7
301.07019	1.4
311.05515	9.1
317.06644	2.4
319.04306	1.4
329.06284	2.0
349.08667	5.7
363.08356	1.4
387.08554	1.4
391.08011	13.6
405.09659	5.3
409.09100	100.0
410.09439	4.3
415.07913	2.2
423.10419	2.4
433.09198	13.9
451.10178	13.5
473.10840	5.8
491.11899	6.7
541.54053	1.3
643.17542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
55.01849	2.9
62.49726	0.6
65.03921	1.2
67.05476	2.6
67.26043	0.7
68.99777	2.9
69.03397	2.0
70.06583	1.3
71.30736	1.0
71.31082	1.5
81.03394	0.7
81.37982	0.7
83.04953	2.9
84.08140	1.2
85.02872	1.1
89.03864	1.0
91.05486	3.7
93.03391	2.7
95.04947	3.8
105.03368	2.2
107.04923	2.0
109.02876	0.9
111.04426	5.5
115.05442	1.2
117.03349	0.7
119.04919	8.3
121.02777	1.0
123.04405	100.0
124.04771	1.6
125.02292	0.9
127.03887	1.7
129.05446	1.5
129.06967	1.3
131.04897	1.9
131.19496	0.8
133.02843	1.6
135.04398	7.9
137.02313	9.8
137.05936	1.3
139.03877	10.2
141.06966	4.7
143.04912	1.8
145.02777	1.0
145.06488	1.9
147.04382	27.5
148.04721	0.8
148.86749	0.7
149.02319	2.4
149.05884	0.9
150.03059	2.4
151.03889	3.3
152.77885	0.8
153.06963	1.5
154.39391	0.7
155.04913	2.5
157.05038	1.0
157.06407	1.7
161.05957	11.2
163.02467	1.2
163.03868	17.5
165.05460	10.0
169.06461	9.8
171.04344	1.2
173.02335	1.9
173.05972	7.0
175.03877	15.6
175.07455	1.3
177.05432	1.4
179.03389	1.7
181.06483	2.0
183.04420	3.6
185.05957	2.3
187.03888	1.5
187.07426	3.6
189.05438	6.5
191.03476	1.2
193.04973	4.7
197.05917	13.3
199.07449	1.2
201.05428	34.1
203.03354	17.1
203.07088	1.7
207.06541	1.1
209.05899	0.9
211.03883	3.4
213.05432	2.6
215.03398	0.9
215.07013	5.8
217.04985	1.6
225.05403	8.6
226.06044	0.8
227.06964	1.0
229.04929	13.5
231.06351	1.4
237.05443	2.0
241.04996	3.8
243.06479	21.1
243.08823	1.2
244.06706	0.8
245.04425	2.7
247.06029	1.9
248.92363	0.8
253.04935	13.3
255.06479	6.4
257.04373	9.3
257.40955	0.8
258.04959	1.1
259.06058	3.1
265.04895	1.8
267.06229	1.0
269.04437	2.1
271.05957	74.3
272.06396	2.9
273.07477	6.1
281.04440	9.0
283.05951	9.9
285.04138	0.8
285.07388	1.6
287.05438	0.9
289.07040	1.2
293.04422	1.7
295.06024	1.9
299.05444	87.1
300.05835	2.6
301.06992	1.2
311.05463	23.0
317.06491	6.2
319.04526	1.4
323.05551	3.1
329.06488	2.3
341.06699	1.6
353.08511	1.4
377.10202	2.5
381.09549	1.6
395.11392	1.0
405.09637	14.9
409.09091	3.6
423.10690	23.1
427.10034	1.3
433.09116	9.4
451.10190	8.2
469.11276	1.4
473.10727	36.8
474.11157	1.2
491.11755	13.5
503.11829	0.8
541.89996	0.8
625.15100	1.5
643.16071	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	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40918	0.2
55.05489	0.2
56.52681	0.2
62.23942	0.3
67.05482	0.8
69.07056	0.3
69.39824	0.3
79.05482	0.7
81.07031	0.8
83.15543	0.3
91.05486	0.4
93.07012	0.9
95.08595	0.6
97.42131	0.3
105.06980	0.5
109.06546	0.3
123.17960	0.3
131.08614	0.3
163.53789	0.3
229.53665	0.3
396.12366	1.4
397.13004	2.6
398.13544	1.3
399.14490	0.8
409.12985	1.2
410.13556	2.9
411.14459	7.1
412.15207	5.0
413.16010	2.4
414.16699	0.8
423.05771	0.3
423.09729	0.4
423.15262	1.8
424.10666	0.6
424.15961	3.2
425.16217	13.8
426.16824	10.0
427.17517	2.5
428.18500	1.8
437.11218	0.4
437.16080	1.2
438.13196	3.4
438.17618	1.4
439.13556	16.9
440.13766	1.3
440.19092	5.4
441.19238	41.0
442.19629	4.8
443.17230	0.3
444.18134	0.4
451.13007	0.4
451.18298	0.5
452.14359	4.3
453.15271	18.3
454.15918	6.5
455.16339	0.6
457.15005	1.0
458.15253	0.4
459.20474	0.4
463.14044	0.9
464.14529	0.3
465.15591	0.6
466.11908	0.5
466.16943	0.5
467.17130	28.7
468.17801	16.8
469.18704	13.8
470.18661	1.2
471.16757	0.9
472.17505	0.9
477.15546	0.4
478.15976	0.5
479.16751	0.5
480.17389	1.0
481.14658	14.7
482.15433	4.8
485.18152	1.2
486.19107	0.5
487.19611	0.3
494.16849	0.4
495.15753	3.2
496.17099	13.3
497.17880	3.4
498.18341	1.0
499.19745	1.1
500.20157	0.5
508.19464	1.0
509.18317	2.8
510.19916	0.5
512.20490	1.8
513.20581	0.9
514.22522	3.3
522.17871	0.8
523.20166	1.6
524.20282	0.4
526.17706	0.3
527.23297	2.8
528.23785	0.6
537.19092	0.5
540.20471	0.7
542.21130	0.8
545.24084	0.4
551.19312	0.4
554.19415	0.3
555.22339	36.9
556.22632	4.1
568.19550	0.5
583.21814	100.0
584.22064	11.3
586.20673	0.5
587.25012	2.5
611.21082	1.3
614.23608	1.0
615.24402	14.8
616.24512	1.8
625.44348	0.4
643.23840	63.7
644.24084	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	643.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.4
55.01829	0.8
55.05490	0.6
57.03411	0.6
67.05495	2.8
69.07015	0.8
69.35522	3.4
71.24044	0.3
79.05475	2.0
81.03388	0.3
81.07052	2.6
83.08559	0.5
91.05457	2.1
92.05766	0.3
92.27640	0.3
93.07027	2.2
95.04937	0.5
95.08605	1.6
97.06477	0.7
97.10110	0.6
105.07010	1.8
107.04912	0.4
107.08533	1.2
109.10107	0.6
117.06973	0.9
119.08495	1.0
121.06415	0.3
121.10065	1.0
121.55208	0.3
122.22082	0.3
125.09602	0.4
129.06976	0.4
131.08513	1.1
133.10046	1.2
135.11581	0.5
137.09605	0.3
143.08481	0.6
145.10066	1.0
147.11684	0.4
157.10085	0.4
159.11624	0.5
161.13179	0.4
167.61147	0.3
171.11641	0.4
173.13225	0.5
185.13159	0.4
201.22345	0.3
217.15852	0.4
255.17387	0.3
275.20041	0.9
276.20398	0.3
291.19482	0.7
335.25781	0.9
365.23117	0.3
396.12198	0.7
397.13181	1.4
399.14142	0.5
409.13190	0.6
410.13687	1.9
411.14478	4.2
412.15201	2.3
413.16028	1.2
423.14362	1.0
424.11230	1.2
424.15427	1.6
425.16153	8.7
426.16919	5.6
427.17740	0.7
428.18704	0.5
437.16656	0.5
438.12372	1.9
439.13309	7.1
440.19003	2.9
441.19241	23.6
442.19754	1.4
444.17975	0.4
451.13687	0.4
452.14526	2.8
453.15128	8.1
454.16040	2.6
457.14838	0.5
458.15836	0.4
463.14224	0.6
465.15366	0.7
466.12308	0.4
466.17007	0.4
467.17151	19.2
468.17825	8.7
469.18735	10.1
470.19257	0.5
471.16412	0.5
472.17377	0.4
481.14804	12.1
482.15482	3.0
485.18057	0.6
486.18561	0.4
494.16461	0.3
495.16742	1.8
496.17157	9.5
497.18024	1.9
498.18701	0.5
499.15997	0.5
508.20087	0.6
509.18396	1.2
512.20844	0.9
514.22675	1.4
522.17896	0.6
523.19604	1.1
527.23212	1.8
528.23114	0.3
537.19843	0.6
539.18756	0.3
540.19952	0.4
542.21484	0.7
555.22321	20.7
556.22784	1.3
568.19110	0.6
583.21808	100.0
584.13593	0.2
584.21979	6.9
584.30487	0.5
586.19940	0.3
587.24982	1.5
611.21320	1.1
614.23981	0.6
615.24445	6.8
616.24194	0.4
625.44318	1.1
643.23798	18.8
643.46069	0.6
644.24207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01865	11.3
55.05496	20.7
55.97794	1.3
57.03429	29.3
57.07063	3.5
62.10139	1.2
65.03947	4.8
67.05492	92.6
69.03423	4.1
69.07055	16.5
69.90140	2.2
69.90549	5.4
71.04994	3.1
71.08617	1.7
79.05479	59.1
81.03426	4.5
81.07040	63.5
83.04974	4.7
83.08619	7.6
85.06538	16.8
89.06023	1.8
91.05463	46.9
93.07028	56.6
95.04950	57.9
95.08588	41.7
95.09192	2.0
97.06506	8.0
97.10188	3.3
98.21146	4.1
99.08109	3.2
103.05460	1.8
105.07005	27.6
105.07704	1.6
107.04931	11.0
107.08581	31.9
109.06496	69.6
109.10140	15.1
109.75837	1.3
111.04473	1.9
111.08080	3.0
113.05987	35.9
115.05439	2.9
117.06991	14.9
119.08558	19.9
121.06530	5.9
121.10115	17.2
121.10825	1.3
123.08096	4.8
123.11726	3.7
125.09622	4.3
125.21942	1.2
128.06227	3.1
129.06970	9.1
130.07721	1.3
131.08554	23.4
133.06538	4.3
133.08682	1.3
133.10100	12.2
135.08028	53.2
135.11652	15.8
135.12456	1.2
137.06012	1.5
137.09592	3.0
139.70528	1.3
141.07031	1.8
142.07820	2.2
143.08516	9.6
145.06519	3.6
145.10107	14.8
147.07985	7.6
147.11655	8.9
149.09598	8.1
149.13283	5.4
151.11255	1.6
155.08560	2.6
157.10091	9.9
159.08083	3.2
159.11691	11.4
160.69244	1.3
161.09579	9.4
161.13258	4.1
163.11197	5.4
169.10098	2.6
171.11624	7.4
173.09647	2.1
173.13327	5.2
175.11249	3.3
175.14952	1.9
177.12749	4.8
179.14360	2.1
181.10191	2.2
183.11809	1.8
185.13263	2.9
187.11157	1.5
195.13744	2.3
199.14758	3.7
201.12743	2.3
217.15852	15.4
227.18036	1.7
233.15276	1.8
237.16377	1.6
242.20740	1.3
245.19080	2.5
255.17355	2.7
259.20554	3.1
261.22137	2.8
263.19995	1.3
273.18445	40.0
275.20093	5.5
277.21582	1.7
291.19492	100.0
292.19821	2.7
309.20645	1.6
335.25748	80.1
336.26227	2.3
347.22067	6.7
365.23151	9.5
464.10715	1.3
527.37421	1.5
567.40674	1.4
607.43750	6.2
625.44495	28.5
643.45135	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	643.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01869	11.1
55.05500	16.0
57.03157	1.8
57.03429	27.3
57.07061	1.5
61.97285	1.0
65.03931	4.9
67.05493	76.2
69.03426	2.4
69.07058	14.7
70.08763	1.3
70.09177	4.2
70.96079	0.9
71.04984	3.8
77.03909	1.4
79.05479	50.2
81.03408	1.9
81.07042	55.0
83.04973	3.1
83.08609	6.1
85.06524	13.7
86.45020	0.9
91.05466	36.1
91.06039	1.8
93.07031	42.9
95.04951	55.7
95.08590	35.9
96.08949	1.0
97.06531	6.4
97.10159	3.2
98.21007	2.0
105.04529	1.4
105.07013	25.5
107.04939	11.0
107.08574	24.1
109.06498	70.0
109.10137	10.8
111.08070	2.7
113.05990	39.3
115.05458	2.9
116.06240	1.1
117.06255	1.6
117.06996	14.6
119.04940	1.0
119.08553	16.5
121.06504	5.5
121.10123	13.3
123.08069	4.4
123.11680	1.7
125.09614	1.8
128.06180	2.6
128.81664	0.9
129.06989	8.5
131.08542	21.1
133.06461	3.4
133.10095	9.8
135.08031	48.1
135.11661	10.8
137.09610	2.0
141.06966	2.2
142.07790	1.3
143.08553	10.4
145.06473	1.3
145.10097	14.7
147.08040	6.1
147.11662	4.2
149.09589	7.1
149.13248	3.0
151.11116	1.7
155.08563	1.1
157.10097	7.9
159.08040	2.4
159.11665	8.6
161.09587	9.3
161.13271	2.5
163.11172	3.1
163.14691	1.2
169.10066	1.3
171.11642	4.7
173.09567	1.4
173.13252	4.1
175.11162	3.3
177.12766	2.7
179.14357	1.4
181.10088	1.5
181.12331	1.1
183.11690	2.0
185.09743	1.2
185.13240	2.4
187.11160	2.3
187.14839	1.1
189.12744	1.3
189.16385	0.9
195.11847	1.4
195.13818	2.5
197.13307	1.1
199.11137	1.0
199.14737	4.4
201.12778	3.1
217.15828	17.0
219.13754	1.3
227.17929	2.4
233.15343	1.9
237.16313	1.8
245.18962	2.4
255.17392	3.3
259.20398	1.2
261.22128	2.1
273.18439	41.1
274.18826	2.0
275.20026	1.4
279.15872	1.1
291.19492	100.0
292.19879	3.7
309.20624	2.0
319.32242	1.0
335.25726	59.5
336.26080	2.5
347.22235	7.9
365.23123	10.9
461.19888	1.0
567.40436	1.6
607.43353	4.8
625.44507	24.4
626.44910	2.1
643.45215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.1
55.01851	6.8
55.05500	22.0
57.03423	8.7
57.07063	3.5
62.89123	1.2
62.95575	1.2
65.03922	3.6
67.05493	57.5
69.03405	1.8
69.07057	28.2
71.04967	4.7
71.67881	2.1
77.03917	1.1
79.05478	53.6
80.05812	1.7
81.03390	2.1
81.07040	100.0
82.07357	1.9
83.04591	0.9
83.04977	8.1
83.08606	14.5
85.06523	5.1
91.05466	64.3
92.05861	1.6
93.07026	52.8
95.04950	12.4
95.08590	42.3
97.06512	11.7
97.10128	5.7
99.08070	6.7
101.05984	3.0
105.04451	1.5
105.07009	62.7
107.04932	33.2
107.08575	33.4
108.05257	4.8
109.06482	15.5
109.10130	16.9
111.08065	4.7
113.09661	1.4
115.05369	1.7
116.06192	1.9
117.06999	17.1
119.08560	53.8
119.80235	1.6
121.06474	4.3
121.10122	27.3
123.08028	8.2
123.11685	9.9
125.09626	2.0
127.07539	1.7
128.06216	2.5
129.05458	1.5
129.06973	12.3
130.07785	1.7
131.08542	28.8
133.06465	3.1
133.10103	37.8
134.10536	1.6
135.08102	5.8
135.11655	17.3
137.09569	3.0
137.13248	1.4
139.11115	1.2
141.06937	2.5
142.07738	2.3
143.08527	9.9
144.09294	1.5
145.10103	25.1
147.08031	3.4
147.11658	43.0
148.11897	1.2
149.09598	7.3
149.13223	12.0
150.05400	1.7
151.11157	3.4
155.08513	2.9
157.10106	13.3
159.11656	18.2
160.12022	1.8
161.09615	3.0
161.13245	23.0
163.11194	6.7
163.14827	3.9
165.09172	1.5
165.12746	5.6
167.08612	1.7
169.10121	4.7
171.11681	11.5
173.09633	1.5
173.13260	11.5
175.11206	3.3
175.14815	10.3
177.12741	3.0
179.14294	2.6
183.11685	4.0
185.09596	3.3
185.13239	8.2
187.14859	3.4
189.12723	3.4
189.16298	1.7
191.14285	1.7
193.12222	2.1
195.11792	1.4
195.13686	2.1
197.13191	3.2
199.14812	4.8
201.16315	2.1
203.14279	1.4
213.16420	1.5
215.17960	2.1
217.15845	2.5
217.19444	1.8
229.15915	1.4
229.19402	2.4
231.17532	2.0
231.21048	5.5
233.15353	2.0
239.17995	2.5
241.19484	21.8
247.20528	3.0
257.18970	7.4
259.20511	43.5
261.22211	1.5
273.18509	5.9
275.20050	31.7
276.20355	3.7
277.21445	3.6
291.19559	4.7
293.21063	7.8
315.23132	4.2
333.24200	45.4
335.25681	6.0
349.23743	5.2
351.25064	4.1
365.23123	2.9
367.24677	20.2
404.27844	3.1
405.28268	3.6
422.28671	1.6
423.28653	1.4
501.35065	1.6
515.38165	2.6
533.39563	2.0
551.40918	2.0
607.43811	5.8
625.44519	14.7
643.39093	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01848	10.5
55.05499	37.2
57.03426	39.7
60.62034	2.0
61.54839	2.0
62.14097	2.3
65.03924	6.9
67.05492	99.9
68.68250	2.0
69.03416	5.1
69.07059	38.2
71.04981	11.8
71.08607	3.3
71.69669	2.1
71.70174	3.7
79.05476	83.5
81.03398	5.3
81.07042	100.0
83.04963	13.8
83.08598	17.1
85.06522	12.4
91.05462	81.3
93.06429	4.5
93.07022	80.2
95.04965	20.8
95.08588	70.2
96.28795	2.8
97.06506	25.0
97.10160	9.9
99.08082	40.8
102.88051	2.4
103.05435	2.5
105.04528	3.5
105.07005	61.5
107.04939	14.0
107.08572	48.0
109.06500	17.5
109.10131	29.1
110.49914	2.2
111.08070	9.9
113.05981	4.4
113.09613	2.5
115.05431	3.7
115.07546	12.5
117.06996	28.1
119.08556	42.7
121.06480	8.4
121.10122	35.7
123.08041	9.6
123.11684	9.2
125.09629	6.3
127.07549	16.1
128.06197	5.9
129.06969	17.8
131.08542	42.5
133.06468	8.2
133.10109	33.0
135.08020	13.7
135.11670	17.5
137.09595	10.0
141.06967	5.3
143.08522	16.2
145.06549	2.5
145.10101	31.7
147.08044	6.9
147.11661	22.5
149.09583	6.5
149.13251	6.1
151.11218	3.9
155.08531	8.4
155.10631	5.4
157.10112	18.3
159.08139	2.9
159.11646	19.1
161.09604	7.5
161.13226	7.7
163.11171	5.8
165.57874	2.7
167.08450	3.1
168.09459	2.4
169.10104	7.5
171.11633	13.1
173.09630	3.1
173.13216	12.9
175.11137	5.1
175.14833	3.7
179.10672	2.7
181.10167	3.2
183.11691	8.0
185.13223	11.5
187.11105	2.8
187.14795	6.3
189.11185	4.0
191.14290	3.3
195.11714	7.0
197.13283	5.9
199.14812	8.6
201.12762	3.1
201.16286	2.8
203.14299	5.3
205.12213	2.2
207.11775	2.8
209.13318	5.5
211.14925	3.7
217.15793	19.3
221.15359	4.4
223.14882	3.6
227.18124	2.9
233.15387	2.5
235.16939	4.1
237.16539	4.5
239.17924	2.6
239.84741	2.8
245.18927	5.5
253.19525	3.0
255.17332	5.9
259.20575	5.7
261.21994	3.0
263.20197	4.7
263.23438	2.6
273.18463	36.9
275.20010	9.0
291.19531	43.2
293.21112	8.3
333.24243	8.2
335.25763	51.5
347.22086	10.6
365.23203	16.3
367.25137	2.9
391.28394	5.5
455.80365	2.6
501.35739	5.8
531.12384	2.7
533.39905	5.3
541.38647	6.4
551.40564	6.4
553.38745	3.9
555.39532	2.7
607.43225	9.4
625.44305	32.8
643.23401	4.2
643.45673	43.5
644.45483	3.7
674.17450	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	643.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01868	12.5
55.05504	29.8
57.03437	9.7
57.07057	4.6
59.04992	1.3
65.03925	3.9
67.05496	71.2
68.05817	1.9
69.03417	3.5
69.07059	29.4
69.90930	7.9
71.04972	5.7
79.05025	2.9
79.05484	58.7
81.03407	4.9
81.07044	100.0
82.07372	2.2
83.04961	11.7
83.08604	17.1
85.02896	1.3
85.06518	3.0
91.05466	63.3
93.07031	62.0
95.04956	14.8
95.08591	48.7
97.06509	12.4
97.10149	4.7
97.21564	1.3
99.08086	3.9
102.05633	1.3
105.04493	1.6
105.07015	59.8
105.07726	3.0
106.07325	1.8
107.04965	11.6
107.08575	38.4
109.06512	11.9
109.10144	22.0
111.08057	7.1
113.09655	1.6
115.05418	1.2
117.06993	19.1
119.08563	56.2
121.06485	4.3
121.10130	28.1
122.70035	1.1
123.08047	9.6
123.11720	8.3
125.09599	5.0
127.07534	1.9
128.06175	2.4
129.06975	12.2
130.07765	2.2
131.08556	31.6
133.06497	2.2
133.10112	40.6
135.08031	5.2
135.11670	17.8
137.09583	6.3
139.11111	2.4
141.06961	3.7
142.07724	2.4
143.08549	12.6
144.09248	1.5
145.06412	1.6
145.10098	29.5
147.07977	3.7
147.11661	37.7
149.09579	9.9
149.13232	12.9
151.07509	1.5
151.11185	5.0
155.08554	5.2
156.09314	2.3
157.10114	15.0
159.07996	2.4
159.11671	21.2
161.09604	3.9
161.13239	22.4
163.11176	9.6
163.14758	3.5
165.12764	4.1
168.09265	1.9
169.10074	6.7
171.11682	14.2
173.09612	2.6
173.13219	15.2
175.11154	4.1
175.14818	10.6
177.12762	3.1
179.14320	1.5
181.10095	3.1
183.11687	6.2
185.13225	11.7
187.11194	2.2
187.14809	5.5
189.11169	2.1
189.12709	3.1
189.16348	1.7
191.14424	1.3
193.10269	1.2
195.11667	3.5
195.13559	1.6
197.13181	4.0
199.14861	6.0
201.12794	2.3
201.16325	3.0
203.14325	3.0
207.13632	1.5
207.96681	1.4
211.14796	2.6
213.16376	2.4
215.17920	3.7
217.15944	1.8
217.19557	3.8
219.17386	1.4
221.15433	1.5
223.14853	1.8
227.12625	2.4
229.19608	2.2
231.21118	4.9
232.86757	1.3
233.19017	1.4
239.18015	4.2
241.19492	15.1
243.20950	2.1
247.20564	3.2
257.19040	9.3
259.20569	32.1
261.22171	4.0
263.20087	5.1
265.32843	1.4
267.15933	2.5
271.20480	2.7
272.26822	1.1
273.18362	7.3
275.20004	40.2
276.20532	3.0
277.21555	5.4
287.19852	1.5
289.21637	5.2
291.19534	4.7
293.21091	5.5
307.22412	1.6
315.23184	3.9
317.24805	1.7
333.24197	32.6
334.24368	2.1
335.25775	6.8
347.22415	1.9
349.23672	10.8
351.25458	2.9
357.32712	1.4
363.24979	3.0
365.23239	3.5
367.24863	14.7
441.19125	2.0
453.15216	1.8
469.18655	1.7
481.14307	1.4
487.33951	3.8
489.35718	2.4
501.35483	2.4
503.37592	1.6
513.35571	2.4
515.37842	6.2
517.39117	1.7
527.37195	4.7
533.39307	3.0
551.40875	5.1
567.40533	2.4
583.21576	9.8
584.21924	3.3
595.43536	1.7
607.43439	8.7
625.35651	2.1
625.44556	28.4
626.45428	1.8
643.24414	6.0
643.46057	9.5
644.23975	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	643.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.5
55.01865	10.0
55.05499	31.0
57.03426	9.7
57.07049	5.2
63.94416	1.5
65.03911	5.9
67.05492	78.6
68.05790	1.3
69.07051	34.0
69.43768	16.0
70.07378	1.4
70.26424	1.4
71.04979	6.6
77.03892	1.9
79.05480	64.9
79.50870	1.2
81.03387	3.3
81.07040	100.0
81.16312	1.5
82.07343	2.2
83.04959	8.1
83.08603	18.4
85.06513	6.0
91.05460	72.4
91.06039	3.5
93.07025	65.7
95.04957	12.8
95.08588	54.7
96.08942	1.8
97.06520	9.8
97.10131	7.7
99.08055	4.0
103.05415	2.5
105.07008	81.0
106.07349	2.8
107.04928	11.0
107.08576	41.8
109.06500	13.3
109.10140	24.7
111.04433	2.3
111.08044	6.6
113.09605	1.5
115.05444	3.1
117.06994	23.2
119.08556	62.4
120.08875	2.3
121.06470	5.5
121.10125	32.4
123.08034	8.9
123.11683	13.2
125.09602	3.4
128.06148	2.4
129.05421	1.8
129.06969	13.8
130.07753	1.8
131.08540	37.3
133.06520	3.6
133.10101	50.4
134.10464	2.1
135.08026	6.7
135.11664	18.9
137.09581	5.8
137.13164	1.7
139.11180	2.9
141.06889	3.6
142.07635	2.3
143.08517	12.8
145.10095	31.0
147.08025	4.1
147.11653	52.0
149.09578	8.0
149.13242	12.5
151.11139	2.8
153.09074	1.6
155.08539	5.8
157.10109	15.1
159.08078	2.0
159.11655	26.1
161.09592	4.1
161.13225	29.2
163.11151	6.3
163.14772	5.7
165.12741	8.1
169.10106	6.7
171.11644	20.3
173.09586	1.7
173.11841	2.8
173.13206	20.4
175.11107	4.2
175.14790	15.5
177.12653	3.6
179.14265	2.0
181.10065	2.0
183.11667	6.4
185.13225	13.2
187.11198	4.2
187.14758	7.4
189.11116	1.6
189.12672	2.5
189.16313	2.2
191.14175	2.1
193.12146	3.4
195.11757	3.2
195.13811	1.9
197.13228	3.7
199.14719	6.9
201.16380	2.4
207.11775	1.8
209.13214	3.8
211.14841	3.4
213.12581	1.7
213.16318	4.6
215.17926	3.9
217.15874	2.1
217.19524	1.9
223.14827	1.9
229.19473	3.7
231.21083	4.0
235.16902	1.5
239.17906	5.7
241.19464	30.0
243.21045	1.9
247.20537	2.7
253.60353	1.5
255.17445	2.3
257.18994	12.8
259.20520	52.5
261.22141	2.0
267.16049	1.4
273.18445	6.4
275.20010	54.0
276.20435	3.2
277.21509	4.2
291.19443	3.5
293.21072	9.0
297.21945	2.2
315.23065	5.5
320.74606	1.4
332.28189	1.7
333.24179	51.4
334.24268	1.9
335.25681	5.0
347.22147	1.7
349.23581	8.9
351.25241	4.4
365.23154	2.2
367.24759	32.1
445.29373	6.1
446.29883	21.0
464.30945	7.5
513.35553	2.1
515.37787	5.1
533.39795	6.7
551.40424	6.1
607.43341	13.3
608.43689	2.2
625.44434	23.6
626.44177	2.2
643.30145	1.8
643.44824	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74140	1.0
56.96555	20.5
69.80145	0.8
70.06580	6.3
71.95237	1.4
79.05447	1.3
84.96023	4.4
85.02894	1.7
85.76152	0.8
87.33094	0.8
87.57795	1.0
89.03883	2.1
95.04977	1.0
97.02840	0.9
98.97565	98.5
110.97581	4.0
112.99103	1.4
116.98602	82.2
117.03371	2.2
123.04440	5.8
127.00719	1.1
127.03895	2.9
128.98582	8.6
131.00153	3.6
134.99631	39.2
135.04375	4.7
136.04701	1.1
139.03893	6.4
140.00160	2.4
140.98578	0.9
143.00145	2.9
145.01723	1.6
145.02853	2.4
146.99615	10.7
147.03235	2.7
147.04337	1.9
149.01230	2.4
151.03905	1.8
152.98598	1.7
153.00673	4.3
158.01247	2.9
158.99629	44.3
161.01213	5.3
161.03027	1.2
162.99112	2.5
163.02728	4.5
163.03891	17.5
164.04210	2.0
165.00706	2.1
165.04317	3.9
167.57231	0.9
170.99632	4.9
171.03314	2.9
175.02637	1.4
176.02251	0.9
177.00677	65.2
179.03458	1.4
189.00703	4.2
189.04301	17.9
193.03839	1.2
195.01715	4.5
197.01215	1.1
200.02287	4.9
201.00743	1.5
207.05376	6.3
212.05873	1.6
219.01717	14.1
219.05264	1.4
229.74556	1.4
231.05392	4.1
237.00665	3.6
237.02765	35.3
242.03531	0.9
249.06456	2.0
253.04887	1.1
255.01743	2.2
255.03966	2.2
257.04468	2.7
259.05737	1.1
260.04572	2.1
267.06992	1.0
269.04517	1.1
271.06003	1.8
273.02588	1.3
287.05484	1.5
290.00800	1.0
291.07452	27.4
293.03189	1.0
299.05426	3.0
309.08514	100.0
310.08865	2.9
332.10138	8.9
425.08664	2.5
447.11877	2.2
453.10620	17.4
465.12698	1.4
471.11670	34.6
472.11899	1.5
476.13718	1.4
494.14069	3.2
627.15820	29.4
628.17072	1.4
645.16864	20.4
646.18530	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	645.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.3
55.01854	5.9
55.05507	23.0
57.03427	18.9
61.02920	48.1
65.03925	4.0
67.05494	76.1
69.03421	50.2
69.07057	27.5
70.06593	6.8
71.01345	6.7
71.04976	12.4
73.02902	21.0
79.05482	65.1
81.03394	20.7
81.07046	100.0
83.04965	13.9
83.08605	18.1
84.08158	2.8
85.02890	50.9
85.06516	8.8
86.09668	5.6
87.00822	8.0
87.04459	4.9
91.03945	20.0
91.05470	77.3
93.07030	83.3
95.04973	14.1
95.08588	59.9
97.02883	37.2
97.06512	14.3
97.10136	7.5
99.04434	9.5
101.02374	9.5
103.03923	6.5
105.01849	5.4
105.07013	72.1
107.04951	4.5
107.08575	56.9
109.02864	11.9
109.06491	10.3
109.10139	20.3
111.04425	11.9
111.08059	5.9
113.05992	4.5
113.09608	4.1
115.03928	2.9
117.07005	29.7
119.08553	54.9
121.06509	4.7
121.10127	45.1
123.04422	3.8
123.08067	6.2
123.11748	6.5
125.09620	4.5
127.03887	22.6
128.06152	6.1
129.05482	20.6
129.06998	18.0
129.10242	2.7
130.07773	3.0
131.08542	52.8
133.10107	35.5
135.08012	8.7
135.11681	20.0
137.05966	5.1
137.09602	6.0
139.03897	3.9
139.11153	3.2
141.06966	7.2
142.07733	4.9
143.08517	25.0
145.04967	6.1
145.10104	45.1
146.80316	2.7
147.07991	5.5
147.11658	27.8
149.09589	8.6
149.13219	11.6
151.07530	3.1
151.11194	4.2
155.08536	9.9
157.10110	24.5
159.11667	23.2
161.09579	3.3
161.13222	11.2
163.11063	3.9
165.12785	4.3
167.08430	3.3
169.10095	8.2
171.11653	18.2
173.13202	11.9
175.11105	3.4
177.12695	6.5
181.10033	3.4
183.06465	4.9
183.11685	9.2
184.07388	7.5
185.07664	2.9
185.13300	15.2
187.11180	3.4
187.14803	7.7
195.11710	3.9
195.13770	4.2
197.13220	9.6
199.14761	11.9
203.14285	4.0
205.15749	3.0
207.13739	4.2
209.13248	4.6
211.14799	10.1
213.16431	6.1
217.15871	3.4
225.16443	5.4
227.17744	4.1
229.15999	4.5
231.17488	3.2
231.41496	2.8
233.15276	4.7
235.16931	5.2
239.17911	4.6
240.52467	3.0
243.17462	6.5
247.17009	4.5
249.18515	6.6
252.05429	3.5
253.19490	47.0
255.17378	4.8
257.19028	4.1
261.18506	7.4
267.11038	2.9
271.20453	4.9
273.18307	3.5
275.20160	7.3
285.12314	4.4
289.21597	3.4
323.23581	3.8
325.25323	3.4
327.26697	3.2
337.25095	26.9
343.26300	11.9
353.25311	3.2
355.26251	61.5
373.27377	47.9
391.28458	14.8
395.29425	17.1
411.28726	3.6
413.30405	26.2
417.29910	6.6
429.29999	15.8
435.30853	6.6
447.30969	37.2
465.32077	42.5
483.32837	5.2
573.33624	3.2
613.24902	6.5
627.34509	4.1
645.28320	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	646.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
55.26469	1.7
56.05019	4.3
56.96558	11.5
58.98907	1.6
65.03921	2.4
67.05491	4.5
67.42571	1.6
68.99778	3.2
69.03405	3.8
69.34776	21.7
70.06581	100.0
79.05474	2.2
79.56575	1.5
81.07054	3.8
84.96021	3.0
85.02914	2.9
86.88492	1.6
89.03908	6.8
90.65302	1.8
91.05472	2.5
93.03394	2.3
95.04952	8.9
97.02897	3.0
98.20605	3.1
98.97565	26.8
105.03387	3.7
107.04935	4.9
110.06052	4.5
111.04446	5.3
115.05466	3.2
116.98608	21.4
117.03349	3.8
117.98978	2.0
119.04923	7.1
121.02868	3.5
121.06484	2.3
123.04414	62.1
125.02354	1.9
126.58033	1.6
127.03893	6.8
128.98598	4.6
130.08662	2.8
131.00134	3.0
134.99625	11.2
135.04376	13.4
137.05963	2.2
138.05446	3.0
139.03879	70.0
143.00162	2.6
145.02817	4.0
146.99602	4.1
147.04372	17.9
151.03935	2.7
153.01840	2.2
155.03400	6.1
157.06454	2.5
158.99661	8.4
161.01218	3.8
161.05931	4.2
163.03883	50.3
164.04268	3.6
165.05563	3.1
165.06949	3.2
167.08452	1.7
173.05922	2.6
175.04016	2.1
177.00645	11.8
177.05458	3.9
178.01151	2.3
178.05008	3.5
179.03381	10.0
179.07045	4.9
179.08475	2.2
181.06508	3.8
185.06009	3.4
187.03908	3.2
189.00671	2.0
189.05624	4.4
195.01701	2.0
196.09703	6.2
197.05986	5.2
199.07555	3.6
201.05463	6.5
203.03474	2.0
203.06973	3.2
207.08151	2.2
211.07574	3.5
211.55597	2.0
213.05499	6.3
215.06894	3.7
217.04924	3.7
219.01784	6.3
221.09483	2.3
223.07635	3.0
225.05444	3.8
225.09210	4.4
227.07051	4.3
229.04950	6.2
235.07643	3.5
237.02832	12.8
237.05180	2.7
237.09036	3.5
238.03244	4.0
239.07123	2.0
241.05049	4.1
241.08658	2.9
242.05664	2.1
243.06575	5.3
247.07680	2.1
249.09235	3.1
251.07115	3.0
253.04991	6.8
255.06451	4.3
257.04425	13.1
258.05276	4.1
259.05869	9.9
263.07071	3.3
265.08676	5.3
266.09225	1.7
267.06586	6.6
267.10229	4.9
268.07153	2.5
269.04443	3.8
269.08105	2.8
270.05002	1.9
271.06036	15.7
277.08710	4.9
279.06424	2.0
281.04526	6.4
281.08139	10.8
282.05319	3.2
282.08704	3.4
283.06033	7.0
283.09671	4.7
285.07532	2.3
287.05466	2.7
291.07071	6.1
292.07590	2.5
293.08069	7.1
295.06134	4.3
295.09711	7.0
297.07629	5.7
299.05542	32.5
299.09167	5.9
301.07285	2.5
305.08264	4.7
306.07739	3.3
308.09219	6.2
309.03983	4.0
309.08273	22.9
310.08566	12.1
311.05637	3.0
311.09177	11.7
319.06085	2.9
322.10849	2.9
323.05725	2.6
323.08975	9.5
326.10153	9.8
328.11850	6.8
332.09674	2.6
333.07623	5.4
338.10272	2.2
339.08704	6.6
350.10138	2.1
351.08392	9.2
353.10001	1.8
368.11197	5.4
379.07962	2.0
389.06757	2.1
401.80499	2.0
407.07727	7.8
409.09360	5.3
425.08609	45.2
431.11569	2.9
441.09180	2.5
451.10471	2.6
454.10962	3.2
458.12534	3.1
459.10855	6.2
461.12320	5.0
463.14133	2.1
468.16330	2.8
471.11554	2.6
472.12152	5.5
476.13272	21.4
477.11877	10.9
478.15002	17.0
480.16336	6.0
482.62689	2.2
494.14450	50.1
508.15594	3.5
520.15967	4.5
559.12262	2.7
577.13220	3.5
628.17224	11.6
629.16840	2.0
646.19055	81.8
647.19586	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	646.3
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73376	2.5
71.69509	3.2
104.72371	2.5
133.12943	2.5
137.31592	2.5
162.79210	2.6
167.86594	2.8
177.69556	2.4
431.18427	5.7
433.23807	6.2
444.19229	3.2
445.19690	4.8
459.21802	47.7
460.22226	11.8
461.23337	6.6
473.23129	3.9
519.23718	9.4
546.25623	3.8
547.27136	29.9
606.28259	100.0
607.28326	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	648.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87165	0.9
55.01865	2.4
65.03944	1.3
67.05472	2.4
68.99782	3.4
69.03398	1.3
70.06209	1.5
70.06578	19.0
70.06910	1.6
70.07541	3.9
75.40851	1.2
79.05478	1.8
85.02911	1.3
89.03910	1.5
89.90073	1.0
91.05466	4.1
93.03402	1.8
95.04948	10.6
105.03355	1.8
107.04950	5.2
110.06054	1.1
111.00753	1.1
111.04437	4.4
115.05482	1.2
117.07020	2.6
119.04948	4.2
121.02896	1.3
121.06512	2.3
123.03508	2.7
123.04404	49.9
123.25119	1.0
124.04748	1.7
127.03884	7.2
129.06992	2.4
131.04903	2.3
133.06488	2.6
135.04399	27.2
135.08061	2.5
136.07574	3.3
137.02332	4.5
137.05910	2.2
138.05495	2.0
138.20351	1.0
139.03879	19.8
145.06477	2.9
147.04353	11.0
149.02347	2.0
149.06004	2.9
151.03883	15.3
151.07555	2.5
155.04829	2.1
157.06448	2.7
159.04358	1.4
159.08006	1.1
161.05959	9.8
163.02483	1.8
163.03870	34.7
163.07500	5.9
165.05507	5.0
167.03326	1.9
167.07088	1.5
173.05975	7.5
175.03943	2.4
175.07535	3.6
177.05461	4.2
179.03477	2.5
179.05420	1.2
179.07021	22.3
179.08472	1.7
181.06438	1.2
183.04384	1.2
185.06020	3.7
187.03792	2.5
187.07513	3.5
188.07002	2.9
189.05406	3.2
190.08603	7.5
191.03355	1.9
191.06996	23.1
193.05026	1.3
194.08044	1.1
196.09653	7.1
197.05969	1.8
201.05444	6.3
201.07098	1.1
203.03358	1.4
203.06963	6.7
205.04955	1.3
207.08075	1.2
208.09654	13.0
213.05536	3.2
215.07140	3.8
217.04996	1.5
219.06462	2.5
220.09680	3.5
221.08005	2.3
225.09041	1.7
227.07080	3.0
229.04893	3.4
231.06496	2.1
233.08167	3.2
235.07471	1.4
237.05534	1.3
238.10811	1.7
239.06876	1.6
241.08664	1.8
247.05862	9.2
250.10721	6.1
253.05003	1.9
253.08640	4.4
255.06465	6.9
257.04419	4.0
257.07996	2.3
259.06030	4.5
265.08517	1.1
266.05685	2.2
267.06573	2.6
269.04483	4.4
269.08109	1.3
271.06018	5.1
271.09482	1.4
273.07651	1.3
277.08640	1.3
279.06595	2.3
281.07968	13.7
282.08401	1.7
283.06094	7.0
283.09631	3.0
285.07617	3.4
287.05753	1.3
287.09113	1.8
289.06888	1.4
291.06491	3.4
294.05261	3.1
295.06104	3.0
295.09412	2.3
296.09106	1.2
297.07526	10.4
298.10745	5.8
299.09067	14.4
301.06943	2.4
303.08640	1.7
306.07614	3.1
307.08646	1.3
308.09158	23.0
309.07501	50.4
310.07928	1.4
311.09082	5.9
313.10587	2.5
316.11783	25.1
321.07556	2.2
322.10715	3.4
323.09201	4.6
325.10638	2.6
326.10156	43.6
326.13925	2.2
327.08719	3.2
328.11746	3.4
339.08575	6.0
340.11664	2.2
341.10272	4.0
342.13516	1.5
343.12051	2.8
358.12762	42.6
360.14337	23.1
369.11008	1.1
370.12997	1.7
372.15070	1.6
402.15601	8.5
409.09430	1.3
411.10739	2.0
460.14093	3.4
461.12579	7.0
478.14917	58.3
479.14377	3.7
480.16580	1.6
496.16129	6.2
619.02655	1.1
630.19043	2.0
648.20642	100.0
649.21075	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	648.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.05492	5.9
57.07069	1.5
58.87366	1.5
59.83324	1.4
60.04505	3.1
67.05180	1.5
67.05489	11.3
69.03411	3.8
69.07065	2.6
71.04981	3.7
71.08012	1.6
71.67908	2.3
79.05486	11.2
80.05032	2.3
80.24148	1.6
81.03419	2.6
81.05791	1.8
81.07039	10.0
82.06559	4.9
87.04449	1.9
91.05453	4.3
93.07033	22.2
94.06563	16.6
95.08582	17.0
95.68946	1.7
96.08130	3.0
96.08861	1.6
97.06519	5.3
97.10157	2.1
105.07018	11.1
107.07326	2.9
110.09682	7.6
111.08047	12.4
119.28094	1.7
119.71467	1.8
121.39274	2.0
122.09653	39.1
123.08041	25.5
128.10698	27.6
140.10684	100.0
141.09097	12.9
141.10931	2.2
154.82802	1.6
156.14288	1.7
158.11748	8.8
162.92007	1.7
216.55484	1.7
223.97466	1.5
289.79092	1.6
291.57706	1.7
328.31985	7.2
438.39307	8.2
450.39294	21.7
468.40433	55.4
469.40613	2.6
639.45160	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	649.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52399	2.4
67.05495	7.2
69.03415	3.5
70.06566	11.3
71.28773	4.6
78.96839	2.7
79.05469	11.7
91.05469	11.1
93.07014	13.8
95.04929	5.1
103.05445	8.1
107.08536	3.0
108.08112	2.9
118.06494	5.0
120.08080	45.3
121.10110	2.6
122.09645	15.0
129.06920	2.9
132.08060	3.9
132.73860	2.7
134.05951	2.7
134.09653	5.8
136.11183	5.6
145.07578	5.0
147.11723	2.8
148.07552	100.0
148.10025	3.0
150.09062	3.4
159.09203	12.9
161.10748	4.1
162.09132	5.2
164.10670	12.7
166.12259	3.9
175.08687	8.1
178.08556	5.7
178.12250	12.5
178.27638	2.4
185.07155	6.5
187.08670	14.1
189.06693	2.9
189.10248	3.0
190.12248	2.7
191.11763	3.2
195.10286	2.7
203.08170	5.3
203.11765	12.2
205.09682	5.3
206.08109	6.5
209.11821	3.4
213.22925	2.8
215.08145	6.0
216.06424	2.6
217.09711	3.9
218.37627	2.5
219.07672	5.1
219.11302	8.0
224.86377	2.7
225.13876	6.2
229.09671	5.2
233.09161	6.7
238.10793	4.9
239.11760	6.0
247.10716	13.1
253.13426	18.9
254.14156	4.6
255.14771	4.4
257.16583	5.6
259.07159	5.1
261.12344	3.9
265.11490	3.1
267.11215	9.5
267.14877	2.7
269.16443	25.4
275.10080	3.8
289.11874	6.5
291.09753	6.0
292.14499	3.7
293.11243	43.6
295.16525	5.0
296.15009	6.2
307.12820	8.6
309.10919	3.3
311.14096	4.9
311.17496	51.4
312.17792	3.8
313.18942	24.9
314.19220	2.8
314.22998	3.1
319.09149	4.4
322.15518	3.1
323.17523	7.3
335.12341	22.4
337.10275	42.0
338.18594	7.4
349.13950	6.6
350.18713	12.6
367.17392	2.8
379.11063	4.9
394.17578	7.1
414.20007	6.8
458.22778	8.7
502.21725	5.7
561.26855	3.9
573.25500	3.0
605.28723	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	649.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.0
55.01861	8.8
55.05505	23.3
57.03431	14.6
59.87102	1.7
65.03933	6.5
67.05495	67.0
69.03423	15.5
69.07062	13.9
70.90291	2.3
71.04976	9.4
77.03944	2.9
79.05480	100.0
81.03408	40.5
81.07042	60.0
83.04964	22.8
83.08609	9.3
83.64175	1.9
84.49513	2.3
85.02894	14.2
85.06520	4.2
86.09695	3.6
91.05466	90.2
93.07030	83.4
95.04395	2.9
95.04960	37.3
95.08592	35.2
97.02883	10.9
97.06518	9.0
97.10170	4.7
98.21079	10.5
99.04428	3.0
103.05471	4.5
104.08561	1.7
105.04489	4.1
105.07014	59.7
107.04945	15.7
107.08570	27.0
109.02845	8.2
109.06484	10.8
109.10164	9.5
111.04425	2.6
111.08035	2.8
111.30968	1.8
115.05438	6.8
117.06996	24.5
119.08566	35.4
121.06486	5.2
121.10146	9.2
123.04412	2.6
123.08042	7.9
127.03894	5.4
128.06207	10.0
129.05479	3.0
129.06981	34.9
131.04918	3.4
131.08542	22.5
133.06519	8.9
133.10124	17.3
135.08034	3.8
135.11714	4.1
141.06989	7.0
142.07863	2.6
143.08517	20.7
145.06468	9.3
145.10094	18.1
147.08006	8.0
147.11662	41.4
149.06001	2.0
149.09610	3.2
155.06009	1.7
155.08517	7.0
156.09341	2.2
157.06470	5.2
157.10136	6.5
159.08076	5.7
159.11702	3.8
161.09613	8.1
161.13232	16.7
163.11177	4.6
165.06958	3.1
167.08577	3.5
169.10117	6.5
171.08035	7.0
171.11656	38.4
173.04414	8.8
173.13234	3.3
177.12744	3.4
179.14302	4.1
181.10085	4.0
183.11736	4.7
184.07362	9.7
185.09628	4.7
185.13239	4.4
187.11110	4.0
189.12717	17.5
195.11841	1.8
197.13242	4.4
199.11148	1.9
199.14795	2.8
201.12654	2.8
207.11856	3.3
207.13765	38.5
209.13283	2.6
212.03093	1.9
215.14334	2.3
221.15486	2.3
223.14917	3.9
225.12772	2.4
225.14720	4.2
241.15860	5.2
245.15372	2.6
251.14284	5.1
259.16956	3.6
269.15189	13.3
271.16980	2.6
279.15948	3.1
281.17438	56.5
285.10062	2.4
287.16367	22.0
305.17548	2.6
309.17087	3.5
315.15964	2.2
333.16940	5.7
335.18839	1.9
343.19034	5.0
361.19913	4.6
407.20596	3.9
425.21530	7.3
487.30399	43.4
501.32147	5.2
539.33179	2.1
541.31543	2.4
567.33032	7.2
585.33771	2.3
595.32251	2.2
618.83508	2.2
631.34479	7.1
649.36420	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	649.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95693	2.0
51.23844	1.8
52.22133	1.9
53.03929	5.9
55.01865	4.0
55.05497	27.6
57.03429	12.8
57.07049	2.1
59.04972	2.7
61.02912	13.1
65.03924	3.7
67.05492	93.6
69.03417	27.2
69.07063	17.2
70.06580	2.2
71.04987	9.5
73.02901	9.3
74.98005	2.1
79.05473	37.4
81.03406	31.7
81.07038	49.9
83.04966	8.0
83.08618	15.6
85.02895	14.5
85.06530	4.6
91.03931	5.9
91.05468	38.2
93.07030	39.9
95.04973	9.9
95.08588	24.7
97.02880	19.8
97.06525	3.6
97.10136	16.7
98.20889	10.8
99.04420	6.4
103.03928	2.3
105.04454	1.9
105.07012	39.6
107.04892	3.7
107.08575	29.4
109.02845	8.1
109.06512	3.9
109.10136	54.8
109.10879	3.8
111.04409	5.7
111.08031	3.9
115.05470	2.0
117.06995	19.7
119.08562	32.0
120.97080	1.9
121.06458	3.6
121.10104	15.0
123.04412	2.5
123.08099	3.0
123.11663	2.0
123.99944	1.7
125.09601	13.9
127.03882	10.8
128.06177	3.0
129.05461	3.4
129.06995	15.7
131.08540	34.0
133.06479	2.5
133.10101	19.1
135.08040	4.3
135.11653	9.4
137.09575	3.0
141.06969	6.1
142.07724	4.2
143.08537	19.3
145.06479	3.0
145.10101	27.9
147.08034	3.0
147.11647	19.1
149.09575	4.2
149.13246	5.6
155.08562	10.1
155.10602	4.5
156.09338	3.2
157.10121	17.0
159.08063	4.7
159.11674	17.5
161.09517	3.2
161.13203	7.9
165.06895	2.6
167.08568	5.9
168.09315	2.3
169.10098	9.8
171.07968	2.9
171.11652	18.1
173.09576	2.5
173.11716	15.7
173.13239	11.4
175.14876	2.1
179.08575	2.7
181.10104	5.7
183.07922	2.6
183.11705	10.9
185.09618	2.9
185.13263	13.1
187.11180	3.4
187.14822	7.3
187.17291	2.0
189.11156	10.5
189.12679	2.7
195.11678	6.5
197.09560	2.2
197.13205	9.5
199.11249	3.7
199.14749	4.9
201.12692	2.5
207.11737	3.7
209.13217	5.8
211.11263	2.4
211.14755	2.6
213.16388	2.9
219.11664	2.1
221.13245	3.2
223.14839	3.7
225.16446	2.5
227.12640	11.2
229.14314	17.3
239.17850	2.7
241.19579	3.7
245.13855	5.3
253.19380	2.1
257.18973	3.7
259.20502	10.6
261.22107	4.3
269.19028	2.6
271.20477	5.7
273.18686	2.2
273.22040	3.6
275.20081	2.3
283.20538	4.7
285.22174	3.3
299.14761	2.6
299.20218	2.0
301.21677	6.6
313.21478	3.0
315.23364	2.3
325.21643	3.4
333.24304	5.9
335.25836	5.0
339.23132	3.7
349.21524	3.9
351.23227	4.0
367.22504	6.2
369.24130	3.0
371.16733	2.4
373.18509	5.5
375.24976	3.1
377.27988	2.3
385.23489	5.8
395.29373	8.7
403.24557	3.4
413.30096	3.2
441.26257	2.9
442.29990	2.3
459.27643	2.8
477.28339	2.4
485.32596	2.5
487.34113	100.0
488.34473	3.2
489.35416	3.3
503.33096	2.5
529.35022	3.5
583.36267	5.3
595.36279	13.2
613.37305	15.9
631.38000	17.0
649.39252	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
65.03929	1.3
67.05493	1.1
68.99777	1.2
70.06601	0.4
71.14666	0.9
83.04967	0.6
86.20162	0.4
91.01601	0.3
91.05479	0.8
93.03389	1.0
95.04961	3.0
104.53335	0.4
106.49717	0.4
107.04903	0.5
111.04446	1.9
115.05429	0.8
119.04929	3.8
123.04411	50.7
124.04749	0.7
127.03912	1.4
135.04390	1.3
137.02328	0.6
137.05942	0.7
139.03877	100.0
139.71460	0.4
140.04213	1.2
143.04890	1.3
147.04387	17.0
148.73425	0.4
151.03885	2.8
153.05400	0.9
161.05960	5.1
163.03928	2.0
165.04076	0.8
165.05458	13.9
169.04951	1.3
175.13855	0.3
177.05498	1.0
179.07010	1.9
181.04985	0.8
189.05412	1.2
192.30196	0.4
203.07030	0.5
207.06493	5.3
249.07640	1.0
268.46191	0.5
273.07449	2.3
291.08582	41.9
292.09021	0.7
315.12265	0.6
651.18890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.6
53.72445	2.2
55.01857	6.3
55.05505	21.2
57.03418	9.1
58.95474	2.1
65.03931	7.2
67.05138	4.6
67.05495	94.9
69.03415	28.1
69.07064	14.9
70.06579	4.1
71.01319	2.9
71.04617	2.8
71.04982	47.4
71.05369	3.6
71.08459	2.4
71.08782	4.8
79.05482	81.4
80.05814	2.4
81.02940	4.3
81.03403	67.4
81.07041	100.0
82.07388	2.6
83.04964	21.3
83.08615	11.9
85.02889	9.2
85.06524	9.8
91.05463	89.0
93.07029	78.4
95.04948	27.9
95.08583	32.6
97.02856	17.0
97.06522	15.2
99.04442	8.0
99.08064	2.2
105.07009	52.9
107.04934	9.5
107.08585	28.2
109.02846	12.6
109.06508	11.5
109.10145	11.3
111.04453	7.3
111.08028	3.9
117.07011	17.7
119.04891	2.4
119.08562	26.9
121.06484	5.7
121.10125	11.3
123.08040	7.0
123.11723	11.0
127.03886	12.4
128.06190	5.6
129.06976	19.9
131.08539	11.1
133.06450	3.5
133.10109	24.4
135.11667	7.8
141.05518	2.8
141.06918	3.4
142.07730	2.7
143.08542	8.9
145.10101	10.5
145.51378	2.7
147.08012	3.7
147.11646	33.5
149.13237	9.9
151.11151	9.2
153.05519	2.6
155.08496	2.8
157.10132	3.5
159.11684	8.7
161.09630	5.5
161.13234	10.9
165.12679	5.1
171.08255	2.8
171.11656	24.7
173.04500	11.2
173.05891	3.4
175.11177	3.6
177.12682	8.6
183.13765	6.5
187.13298	8.9
189.12694	9.3
195.11696	2.8
195.13789	5.0
201.14832	3.6
202.15794	3.8
207.13739	29.2
225.14827	6.2
228.48125	2.4
257.17435	4.5
265.17715	2.8
267.15982	2.3
269.17709	3.2
281.17456	12.2
287.16141	2.4
315.15717	2.7
339.18301	4.9
395.20557	7.6
403.28259	5.1
424.44601	2.2
431.27835	2.5
433.29156	3.5
449.28912	24.7
463.30429	13.2
475.30930	12.0
507.32928	9.9
619.34564	14.8
651.27319	2.5
651.37384	39.8
652.37317	2.7
656.82196	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	651.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.8
53.73456	2.0
55.01855	4.9
55.05504	35.8
57.03428	9.7
57.07067	1.8
59.04987	3.2
63.96153	1.6
65.03929	4.1
67.05490	100.0
69.03421	26.1
69.07052	20.8
70.00412	8.9
71.04977	11.9
73.02920	1.9
74.33733	1.7
79.05476	36.8
81.03401	69.0
81.07042	57.5
83.04964	29.9
83.08605	20.0
85.02892	6.7
85.06517	2.9
85.22408	1.7
91.05453	27.7
93.07028	37.2
95.04977	6.1
95.08588	43.1
97.02877	24.9
97.06527	4.7
97.10152	24.1
98.20883	4.7
98.21454	2.3
99.04434	7.8
103.78002	1.7
105.07021	23.4
107.04943	2.2
107.08572	27.4
109.02860	11.9
109.06501	4.0
109.10130	52.9
111.04434	11.7
111.08075	3.7
117.06960	8.7
119.08567	21.7
121.06506	2.7
121.10140	14.3
123.08057	1.9
123.11712	10.4
125.09602	17.6
127.03886	11.0
128.06229	2.9
129.05467	15.4
129.06992	6.2
131.08534	13.5
133.06444	3.6
133.10107	12.9
135.08080	4.4
135.11679	10.7
137.09602	4.8
137.13235	3.0
139.11183	2.3
143.08537	6.1
145.06500	4.1
145.10104	14.6
147.08006	3.0
147.11655	10.1
149.09598	3.0
149.13211	5.3
151.11134	2.5
155.10672	2.3
157.10095	6.4
159.11690	9.3
161.09601	2.4
161.13223	6.0
167.08568	3.4
169.10094	3.5
171.11626	4.5
173.09512	2.8
173.11714	16.8
173.13255	5.5
175.14735	3.0
181.10118	3.5
183.11676	4.5
185.13235	4.7
187.14876	2.9
189.11197	18.6
193.10327	2.0
195.11758	2.2
197.13205	3.2
199.14795	3.5
207.11725	2.5
207.13792	2.0
227.12706	19.8
229.14293	23.2
245.13780	6.2
259.20547	2.7
261.22131	8.3
263.23584	5.8
271.20563	2.6
273.21994	2.0
277.21655	2.9
299.14908	3.0
301.21378	3.4
303.23114	2.3
308.18481	1.9
311.59247	1.8
335.25839	11.6
337.27344	15.9
341.24680	2.3
351.23163	5.2
369.24161	9.2
371.17047	7.3
373.18491	7.7
387.25031	5.8
405.26297	3.9
461.28900	3.9
479.29947	3.8
489.35559	7.7
507.36618	6.2
606.18073	2.4
615.38898	4.8
633.39758	18.0
651.40503	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	651.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52732	1.6
53.03934	6.5
55.01860	4.2
55.05500	33.6
57.03428	11.7
57.07057	5.5
59.04973	2.5
65.03917	5.3
67.05495	100.0
69.03416	27.3
69.07054	18.0
69.71386	2.0
70.92760	5.0
70.93125	2.5
71.04993	9.7
79.05479	29.1
79.43613	1.7
81.02942	3.9
81.03404	61.2
81.07043	60.5
81.07409	1.3
83.04963	26.6
83.08605	16.0
85.02904	5.0
85.06535	3.7
87.30114	2.5
91.05463	29.6
93.07025	36.7
95.04934	9.2
95.08591	45.5
97.02869	21.1
97.06519	4.0
97.10153	17.3
99.04442	5.3
99.08109	2.9
105.07014	23.2
106.87115	1.9
107.04946	3.3
107.08570	25.2
109.02877	10.4
109.06497	6.3
109.10133	54.7
111.04425	8.9
111.08085	4.0
115.05422	2.0
117.06980	9.2
119.08563	18.1
121.06511	2.4
121.09411	2.2
121.10152	14.2
123.08006	2.2
123.11684	7.2
125.09598	13.6
127.03902	10.3
129.05463	16.3
129.06982	6.2
131.08549	16.0
133.06505	1.8
133.10104	12.9
135.08018	4.0
135.11671	9.3
137.09586	2.6
141.06978	4.3
143.08545	6.3
145.06483	3.5
145.10120	13.8
147.11621	8.9
149.09653	4.1
149.13254	6.1
151.11256	2.4
155.08586	3.2
155.10623	4.0
157.10132	5.8
159.08095	2.5
159.11665	7.8
161.09590	2.5
161.13228	6.4
163.11174	2.7
163.14793	3.1
165.12633	2.4
167.31105	1.8
169.10124	3.2
171.08012	2.4
171.10168	2.9
171.11665	3.4
173.11720	16.4
173.13254	8.7
175.11140	2.1
175.14801	2.8
177.12738	3.1
181.10162	2.2
183.07938	2.3
183.11671	5.1
185.13211	4.4
187.11200	2.9
187.14819	3.6
189.11212	14.1
189.12718	3.0
195.11707	3.8
197.13219	3.6
199.14906	3.2
227.12682	18.6
229.14281	18.7
239.50558	2.0
243.20943	2.2
245.13840	3.7
261.22195	6.8
263.23752	4.0
277.21634	2.0
299.15067	4.3
301.21545	6.2
303.23120	3.3
327.23300	2.4
335.25861	12.9
337.27325	14.1
341.24658	2.6
345.24301	2.1
351.23129	3.5
369.24216	8.3
371.17105	10.5
373.18588	5.7
387.25076	5.4
403.25171	1.9
405.26779	3.4
479.10117	2.0
479.29465	2.8
489.35718	6.4
505.34686	2.7
507.36859	6.1
597.37970	3.2
615.38788	6.1
633.39825	16.9
651.40338	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	651.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.6
53.83666	2.3
55.01838	6.4
55.05500	31.8
56.25050	2.2
56.86481	1.9
57.03421	9.3
57.07061	4.9
57.63206	2.2
61.68970	2.1
65.03915	2.8
66.92554	2.1
67.05137	4.8
67.05492	100.0
69.03413	22.6
69.07055	15.3
70.13490	13.4
71.04962	11.7
71.08611	3.6
79.05489	31.4
81.03406	54.8
81.07040	59.1
81.12607	2.4
83.04961	22.2
83.08607	16.0
85.02880	6.8
85.06512	5.1
87.04433	2.4
88.35538	2.2
91.05460	30.2
93.07020	35.5
93.64841	2.4
95.04932	7.4
95.08585	42.7
97.02866	17.1
97.06496	3.2
97.10145	12.4
98.21408	2.4
99.04433	5.1
105.07025	25.2
107.04922	5.4
107.08566	22.7
109.02843	7.9
109.06492	3.0
109.10137	62.0
111.04420	8.9
111.08045	4.9
116.62311	2.1
117.06992	12.8
119.08568	21.6
121.06445	2.4
121.10101	17.1
123.08028	4.1
123.11709	6.1
125.09612	9.4
127.03909	9.4
129.05466	12.3
129.06987	7.9
131.08553	18.2
133.06416	3.8
133.10110	15.3
135.08015	5.0
135.11667	11.3
137.03749	2.4
137.09601	5.1
141.07013	4.4
143.08539	8.3
145.10104	16.2
147.11674	7.5
149.09659	3.0
149.13222	5.0
155.08528	4.9
155.10652	5.0
157.10118	7.7
159.11665	10.2
161.13252	7.5
169.10074	5.2
171.11687	4.7
173.11700	15.3
173.13138	4.6
175.11176	3.6
175.14798	4.0
177.12682	3.1
183.11670	3.9
185.13155	4.0
189.11235	13.0
189.12695	3.5
197.13235	4.7
199.14839	3.7
203.46126	2.2
203.47969	2.6
227.12660	16.9
229.14308	35.5
243.20999	2.9
245.13737	6.2
261.22104	8.5
277.21585	3.4
283.20404	2.9
299.14835	3.0
301.21484	4.3
319.22815	3.1
327.23083	2.4
335.25671	9.4
337.27310	9.5
345.24271	3.9
351.22852	4.5
369.24307	10.9
371.16916	8.8
373.18472	3.8
387.25153	3.9
405.26416	2.8
419.27756	2.6
443.27835	3.0
461.28967	3.0
489.35519	5.7
505.34265	2.8
507.36139	2.7
527.17169	2.8
615.38556	6.0
633.39728	15.5
651.40186	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	651.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.1
55.01855	6.3
55.05500	31.0
57.03432	13.9
67.05492	100.0
69.03427	24.7
69.07060	17.0
71.04981	12.1
71.69882	3.2
71.70235	3.1
77.92877	2.8
79.05473	34.5
81.03407	57.7
81.06599	5.1
81.07045	63.9
83.04965	21.6
83.08629	16.2
85.02882	4.8
85.06538	4.1
89.15456	2.9
91.05460	32.6
93.07044	36.6
95.04943	10.3
95.08587	46.6
97.02879	21.6
97.06504	7.1
97.10157	17.1
99.04469	4.7
99.08121	3.0
104.00023	2.7
105.07006	22.5
107.04917	5.0
107.08585	24.4
109.02870	9.1
109.06487	3.2
109.10139	62.1
111.04431	9.1
111.08098	3.7
116.15234	2.9
117.06985	19.1
119.08575	22.6
121.06469	4.3
121.10120	15.9
123.08039	4.6
123.11718	6.3
125.09631	13.7
127.03903	8.9
128.06158	3.7
129.05475	13.2
129.06955	6.1
131.08551	20.3
133.10118	14.6
135.08029	5.7
135.11673	6.7
137.09607	3.9
141.07024	2.9
143.08548	8.3
145.10110	11.7
147.11652	7.2
149.08481	3.0
149.09605	3.2
149.13278	7.2
153.06863	3.1
153.09038	3.2
157.10104	5.4
159.08034	3.9
159.11705	7.3
161.09615	3.5
161.13269	5.0
169.10187	3.5
171.11691	3.5
173.11742	14.1
173.13287	9.1
175.14877	3.3
179.08589	3.6
183.11732	6.0
185.13345	6.6
187.14876	3.7
189.11223	11.7
211.13240	3.1
217.16031	2.7
227.12698	16.7
229.14297	35.7
245.13828	5.9
261.22214	7.8
263.23718	3.6
269.55212	3.1
301.21573	4.4
319.22864	3.3
335.25708	4.5
337.27362	10.7
351.23129	5.1
369.24152	10.0
371.17032	7.3
373.18433	6.3
461.28784	3.8
479.30423	5.8
487.33792	3.3
489.35541	6.7
597.37799	5.6
615.38715	7.6
624.71875	3.3
633.40033	15.8
651.40240	10.4
656.60938	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	652.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.3
55.01853	8.1
55.05497	5.1
57.03422	2.7
59.04978	3.0
61.02898	2.9
65.03919	2.0
67.05495	14.1
68.99789	2.9
69.03421	30.9
69.07056	9.4
69.98722	4.6
69.99134	3.0
70.06570	3.9
71.01352	2.0
71.04980	7.4
73.02902	4.4
74.43420	1.2
79.05476	11.1
81.03403	20.2
81.07045	39.8
83.04965	5.4
83.08582	2.1
85.02888	40.1
85.06506	1.5
87.00816	15.1
87.04456	6.2
91.03915	2.2
91.05467	10.3
93.07032	32.8
95.04945	12.0
95.08006	2.1
95.08593	29.6
97.02879	22.6
97.06525	10.2
97.10143	6.0
98.21433	1.7
99.04439	10.1
105.01856	11.3
105.07014	12.7
107.04872	1.8
107.08574	40.5
108.04477	2.6
109.02859	21.4
109.06520	7.4
109.10141	41.7
111.04425	2.2
111.08044	4.4
111.11699	3.1
117.01850	2.0
117.07013	2.2
119.04930	1.4
119.08565	9.9
121.06486	5.1
121.10126	83.0
122.10421	1.2
123.04402	5.2
123.08058	11.9
123.11692	25.8
125.05997	6.2
125.09616	55.1
127.03888	23.9
127.11174	1.7
129.01788	3.8
131.08553	23.4
133.06473	1.9
133.10124	3.8
135.04379	2.3
135.08037	8.9
135.11667	3.9
137.05992	1.9
137.09590	13.9
138.68690	1.3
139.03897	12.2
139.07523	1.4
139.11160	31.0
141.09091	3.4
143.08475	2.2
145.04919	11.3
145.10117	4.8
147.02898	1.3
147.04416	2.7
147.08023	4.5
147.11604	1.6
149.09598	30.8
151.03877	1.4
151.07547	1.5
151.11147	3.4
153.09088	18.5
153.12701	2.4
157.06430	1.4
157.10107	2.3
159.02856	7.1
159.08032	3.0
159.11595	2.4
161.06041	1.3
161.09563	3.7
161.13139	1.5
163.03874	4.3
163.07530	7.3
163.11186	7.4
165.09117	8.2
167.10657	100.0
168.10992	2.9
169.10136	1.9
169.12180	2.7
171.10172	3.7
171.11583	2.0
173.09622	2.5
173.13222	3.3
175.07545	3.5
175.11121	1.8
177.09102	1.7
177.12712	1.7
179.07135	1.4
179.10707	1.7
181.12184	18.6
183.11667	1.9
185.11739	15.4
185.13242	2.0
187.14673	1.5
189.09006	2.5
191.10593	3.0
191.14330	1.4
195.11806	1.3
197.15286	1.3
199.13251	14.4
199.14897	2.1
201.12769	2.6
203.12738	3.7
205.12158	2.4
209.13213	1.4
211.11166	1.5
213.03886	3.6
215.14246	5.1
217.12244	1.7
217.14268	3.6
219.13739	2.0
231.05038	6.0
231.13785	2.6
233.15334	3.5
243.13773	3.4
245.15312	2.9
248.07600	1.6
255.17473	1.7
261.14865	4.3
269.19064	1.8
273.18475	2.0
275.16525	1.8
287.20056	3.5
291.08606	2.2
291.19458	1.4
293.17346	1.7
297.18515	11.2
305.20929	1.9
309.12708	1.2
315.19507	30.7
316.19644	1.6
317.13809	1.4
333.20535	43.2
351.21613	77.5
352.21942	3.9
369.22626	10.8
401.14490	6.4
502.33331	1.4
581.25031	1.4
599.26581	3.0
617.27551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.9
55.01860	9.2
55.05499	5.5
57.03427	4.2
61.02905	3.6
67.05488	20.2
68.99767	2.1
69.03419	44.7
69.07063	21.1
70.06559	3.1
70.50065	9.2
71.04980	9.6
73.02914	7.7
79.05467	11.2
81.03404	25.2
81.07037	31.3
82.04606	2.5
83.04960	12.4
85.02888	53.5
85.06550	3.0
87.00809	21.5
91.03949	2.9
91.05464	13.1
91.08384	2.1
93.07018	18.4
95.04972	16.9
95.08590	25.7
97.02882	27.4
97.06514	9.4
98.21381	2.5
99.04451	12.2
101.05961	2.7
105.01887	12.1
105.07012	21.0
106.64847	2.1
107.08571	29.9
108.04444	3.7
109.02868	20.0
109.06505	13.0
109.10136	47.2
111.08066	4.0
115.07619	3.1
117.01880	3.3
117.06992	3.8
119.04992	2.7
119.08547	23.4
121.06487	10.1
121.10103	18.7
123.04399	4.4
123.08051	20.4
123.11679	11.4
125.05970	9.1
125.09561	2.9
126.05500	2.8
127.03903	32.7
129.01855	4.0
131.08548	13.9
133.10121	16.5
135.04407	3.0
135.08035	20.6
135.11681	6.0
137.05931	7.9
137.09579	20.4
139.03902	2.8
139.07506	3.7
139.11143	4.0
141.09077	5.0
143.07043	3.5
143.08559	7.8
145.04933	8.4
145.10123	14.7
147.08043	7.0
147.11638	12.3
149.05916	3.2
149.09572	19.0
151.03906	8.5
151.11176	14.9
153.09088	6.9
155.08554	2.7
155.10637	3.9
157.10107	10.1
159.02870	12.7
159.08049	9.0
159.11685	7.2
161.09567	10.6
163.03896	6.3
163.07469	4.8
163.11215	5.4
165.09106	17.0
167.10654	6.3
169.10144	6.8
171.08017	2.6
171.11703	7.9
173.09619	10.6
173.13286	8.1
175.11180	12.7
177.09117	16.4
177.12692	3.3
179.10593	4.9
183.10133	9.7
183.11633	4.0
185.13327	3.2
187.11179	4.7
187.14836	6.7
189.12787	5.5
191.10689	3.9
191.14243	2.7
193.12311	2.3
195.10179	5.6
197.13237	4.1
199.11163	6.6
199.14793	3.8
201.09111	3.3
201.12747	11.1
201.16400	3.3
209.13168	3.1
211.14879	5.3
213.03922	5.0
213.12775	4.3
213.16408	3.6
215.14282	10.8
217.15887	3.5
219.13770	10.7
224.70450	2.4
229.15828	11.0
231.05029	5.5
231.17383	4.0
233.15303	18.0
235.11127	2.2
237.14774	5.4
239.14310	2.9
243.13809	5.7
247.17073	3.5
257.15359	10.8
261.14810	17.8
263.16306	2.9
269.18997	6.0
273.18469	5.2
275.16324	16.4
279.15646	6.7
287.20047	10.2
293.17432	39.1
297.18378	12.9
303.19620	3.6
305.21198	7.4
311.18567	9.2
315.19501	49.1
321.20630	3.9
328.25089	3.1
333.20535	100.0
341.17523	2.6
351.21588	86.8
369.22681	21.6
383.18845	3.5
505.19708	2.8
541.22998	5.6
599.26111	4.1
617.28192	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	653.1695
Annotation	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03936	2.2
55.01855	0.6
55.05470	0.3
57.03427	1.8
60.10626	0.3
61.02901	0.7
67.05476	0.3
68.02126	0.2
68.99754	0.4
69.03416	5.1
70.06566	0.5
70.86185	0.6
71.04978	9.3
73.02890	0.9
75.04456	0.6
81.02950	0.5
81.03405	7.7
83.04955	1.0
84.08108	0.3
85.02893	14.6
86.03223	0.4
87.43742	0.3
91.05453	0.3
92.17474	0.3
95.04920	0.6
97.02873	3.1
99.04437	1.7
103.03915	0.7
105.01840	0.3
107.04969	0.4
109.02859	7.1
111.00800	0.4
111.04414	1.2
121.02833	0.5
123.04388	0.6
124.03929	0.5
127.03899	5.3
129.05447	2.3
133.10118	0.5
137.02318	2.0
137.05927	0.4
139.03860	1.0
145.04939	0.9
147.04407	0.3
147.06444	0.7
149.02325	0.3
151.03886	0.6
153.01805	2.7
161.05968	0.5
161.09622	0.6
163.03848	0.6
165.01784	1.3
165.05595	0.3
169.04918	0.3
183.02885	0.5
187.05992	5.6
201.05392	1.4
205.07007	1.0
208.10388	0.3
228.04068	0.4
229.04909	2.9
237.07581	0.4
245.12726	0.3
247.06007	0.5
255.06393	0.5
257.04440	2.0
274.04767	0.5
285.03851	1.0
299.10233	0.3
303.04941	100.0
304.05295	4.0
315.05002	0.5
327.04800	0.4
327.09894	0.3
345.06052	1.2
345.10541	0.5
369.14304	0.5
373.10342	0.7
405.12897	0.9
411.07220	0.5
449.10773	0.7
484.16898	0.7
507.11118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80675	2.0
77.73950	1.8
87.01231	1.9
98.20752	5.9
101.99047	2.2
158.50589	1.8
158.68629	2.1
165.04662	1.9
168.22168	2.0
317.51007	2.1
391.19208	6.6
392.19849	3.9
405.20761	10.4
406.21518	9.9
407.22235	2.4
419.22446	3.9
420.23074	7.8
421.23788	15.6
433.19839	3.6
435.17468	2.4
436.18784	4.3
445.20016	3.0
450.20450	3.7
460.23206	2.8
465.22812	56.9
465.29358	3.2
466.23114	4.3
475.24878	2.2
479.24405	8.6
480.24557	3.6
487.20798	2.3
488.22141	8.5
491.20889	3.7
492.21103	3.1
501.23083	3.5
503.24374	68.1
504.24701	3.7
507.27716	4.0
535.27039	47.1
536.26984	3.3
551.26349	7.7
561.24542	3.2
579.25897	41.5
580.26331	3.0
591.55676	2.2
593.27533	3.1
594.28229	21.1
621.26843	21.3
653.29596	100.0
654.29718	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	653.2957
Annotation	Haplophytine
Peak:m/z	Relative Intensity
52.87547	0.8
61.81287	0.8
62.18960	0.9
67.05508	2.0
69.34275	5.6
69.34696	5.3
71.48880	0.9
73.04984	1.0
77.25970	0.9
79.05503	1.5
81.07034	1.9
81.24839	0.9
91.05502	1.3
93.07044	2.4
95.08611	1.7
103.12150	0.9
105.07020	1.2
107.08623	1.7
119.08591	1.6
126.99896	0.9
132.57188	0.9
143.08554	0.9
207.57404	1.0
223.12436	1.0
226.76151	1.0
252.89217	1.1
291.22464	0.9
389.17383	1.3
390.18347	1.6
391.19748	1.0
403.19345	2.4
404.19971	3.2
405.20697	11.0
406.21597	0.9
417.20819	1.7
418.21884	1.7
419.22354	6.6
420.22955	2.4
431.22668	1.2
433.23972	4.2
434.24527	3.0
445.20020	1.2
447.20987	1.6
449.19687	4.8
450.20163	1.6
459.21729	1.3
463.21121	5.8
464.22101	2.6
465.22955	2.6
473.19565	1.6
475.21289	2.9
477.23022	2.9
478.23587	3.4
479.24341	37.7
480.24265	1.8
487.21228	3.8
491.19992	2.0
491.25064	1.8
492.25418	2.1
493.26151	1.7
501.22797	4.2
502.23621	3.1
505.25720	1.3
507.27536	22.6
519.24036	2.2
520.03760	1.2
533.25427	5.8
537.24933	10.5
541.38739	3.3
551.26434	36.9
552.27039	2.1
561.25018	6.1
562.25134	1.6
563.23260	1.8
565.27930	21.1
566.28784	100.0
567.28937	6.4
575.26593	1.7
593.27466	14.3
603.25903	1.5
621.26947	18.2
635.28168	5.8
653.29602	90.7
654.29926	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	653.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50889	3.2
53.03938	15.8
55.01849	7.9
55.05505	33.5
57.03436	21.5
58.06573	3.5
59.16514	2.6
64.43015	2.8
65.03930	7.3
67.05495	77.4
69.03428	21.8
69.07053	15.9
69.35688	23.3
69.36098	7.8
71.04979	7.1
73.06538	3.7
79.05482	93.8
81.02943	6.0
81.03404	100.0
81.06602	5.1
81.07043	67.1
83.04968	39.1
83.08597	29.0
85.02883	26.4
85.06534	6.1
91.05465	82.8
93.07030	77.7
95.04385	4.6
95.04956	44.9
95.08592	37.9
97.02890	17.9
97.06503	11.3
97.10146	6.1
98.21479	5.6
99.04439	5.4
99.08085	4.2
103.05434	3.1
105.04475	2.9
105.07018	66.8
107.04932	19.1
107.08581	25.6
109.02876	10.5
109.06491	10.4
109.10124	10.8
111.04414	12.2
111.08050	8.6
113.06042	2.6
115.05429	5.3
117.07024	16.5
119.04894	3.2
119.08565	41.1
121.06470	9.0
121.10123	14.2
123.04389	2.7
123.08042	8.4
123.11690	3.2
127.03897	10.5
128.06204	6.0
128.87050	2.4
129.05522	3.6
129.06970	26.8
131.08521	24.0
133.06439	10.2
133.10091	21.1
135.08046	4.2
135.11687	7.6
137.09537	5.7
141.06960	3.8
142.07773	5.2
143.08542	8.6
145.06458	4.1
145.10103	16.8
147.08003	8.9
147.11664	44.6
149.09602	6.7
157.10132	14.6
159.07988	5.6
161.09566	5.2
161.13232	11.5
163.11180	3.6
165.09088	8.5
171.08002	2.9
171.11635	29.4
173.04410	4.7
175.11151	13.3
181.12228	2.8
181.35205	2.7
185.13293	4.6
189.12686	13.8
191.10672	3.2
193.12245	40.3
203.18347	2.6
207.13757	36.7
211.13263	58.2
227.12617	3.9
229.14301	3.7
259.16888	3.2
267.15924	24.4
269.15274	4.1
281.14517	4.6
281.17444	70.5
285.16931	17.4
287.16385	7.3
329.74850	3.5
389.19241	3.0
425.21484	3.9
429.21069	11.6
429.84482	3.0
456.30161	5.9
473.28967	57.5
474.29404	2.8
491.29950	30.7
500.85727	3.0
505.31754	3.1
525.88184	3.1
622.66589	3.8
635.34106	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	654.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
55.01841	6.3
55.05497	11.2
57.03412	5.8
57.07061	3.9
59.04983	2.3
61.02906	3.2
63.84862	1.9
67.05502	12.8
69.03415	22.1
69.07043	8.6
69.88217	10.3
70.06568	6.8
71.04974	4.8
71.69833	1.7
73.02885	5.6
79.05470	8.9
81.03387	14.0
81.07043	23.7
83.04966	20.3
83.08589	7.1
84.08130	2.9
85.02883	45.4
85.06545	5.5
85.60812	2.1
86.09697	3.5
87.00832	11.6
87.04415	2.8
91.05445	12.0
93.07002	16.9
95.04950	48.9
95.05518	3.9
95.08587	15.1
97.02869	20.4
97.06528	10.0
98.20698	3.3
99.04409	13.8
105.01840	20.7
105.07027	23.8
107.08575	28.2
109.02844	16.5
109.06497	29.5
109.10135	44.0
110.07098	2.1
111.08074	4.0
115.07568	4.1
116.98620	2.2
117.06995	2.4
119.08562	30.1
121.06506	2.5
121.10117	23.5
123.08015	5.1
123.11666	9.5
125.05932	2.9
125.09627	6.6
125.13246	2.5
127.03893	31.7
131.08563	15.3
133.10112	62.4
135.08014	14.0
135.11642	19.7
137.05949	3.2
137.09557	2.9
139.07556	2.1
139.11154	8.1
141.56526	1.9
143.08551	2.8
145.04919	12.7
145.10123	8.0
147.11655	16.8
149.13199	19.8
151.11128	8.3
153.09067	22.3
154.08586	2.5
158.10866	6.5
159.02895	6.7
163.03914	3.4
163.14780	4.4
165.12767	4.9
167.14262	10.3
171.10234	3.3
173.13225	46.0
175.14792	66.9
187.57245	2.1
191.14267	60.9
209.15337	100.0
213.03801	2.6
213.43468	2.1
227.16357	37.9
231.04884	9.6
249.06355	2.4
285.03839	3.2
303.04968	4.1
305.02881	2.5
313.03397	7.3
313.07095	5.6
330.06046	4.5
331.08005	4.6
335.18643	2.5
452.29614	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	654.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51315	1.5
53.03928	7.3
55.01849	5.9
55.05491	3.9
57.03416	4.2
57.07051	3.7
67.05492	17.4
68.99757	2.6
69.03418	14.8
69.07063	10.7
69.42128	16.5
70.06576	4.1
71.04985	9.6
74.73874	1.5
79.05486	9.4
81.03407	12.0
81.07042	62.5
83.04935	4.1
83.08610	3.7
85.02887	20.3
85.06505	2.4
87.00829	12.3
87.04424	3.2
91.05461	6.0
93.07040	19.2
94.20345	1.9
95.04935	9.7
95.08595	23.8
97.02868	12.2
97.10138	3.6
99.04445	5.9
105.01848	7.5
105.07041	12.5
106.02898	3.5
107.08575	32.7
109.02868	11.7
109.06513	8.8
109.10136	55.0
111.04407	2.5
111.08051	3.2
119.08569	8.7
121.06474	3.4
121.10123	23.1
123.08058	3.3
123.11684	100.0
124.03904	3.1
125.05963	2.0
125.09586	9.6
127.03901	16.1
127.11172	2.7
131.08563	15.6
133.10098	6.2
135.08032	11.6
135.11653	5.4
137.05914	2.2
137.09558	10.3
139.11154	7.9
141.12724	1.8
143.08543	2.9
145.04950	4.6
145.10083	4.8
145.17711	1.7
147.08014	2.5
147.11667	3.6
149.09595	25.0
151.11176	9.2
153.09077	6.9
153.12685	2.9
157.09993	1.7
159.02866	3.7
159.08014	5.2
159.11684	3.4
161.09663	2.2
161.13203	2.1
163.03879	5.2
163.07535	5.6
163.11198	3.1
165.09081	7.3
165.12697	7.1
167.06993	4.5
167.10640	27.9
169.10089	2.6
169.12209	20.4
171.10176	3.2
171.11577	2.4
173.09618	2.5
175.14659	1.8
177.09096	2.1
179.10510	2.0
183.13773	19.3
185.13307	2.1
187.13264	8.0
187.14732	1.8
201.14851	11.5
213.03871	2.4
213.12784	4.3
229.15935	2.7
231.04919	2.3
263.16370	2.4
271.20450	3.5
289.21561	4.8
299.20007	16.1
307.07047	2.5
307.22662	3.7
309.20599	5.7
317.21054	33.3
325.23621	2.5
335.22122	54.4
353.23187	25.3
356.58698	1.8
401.14432	7.3
403.23575	1.9
583.27124	3.8
601.28186	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	654.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07177	2.4
52.50499	3.2
53.03916	8.2
53.40559	2.6
55.01863	9.9
55.05494	10.4
57.03409	4.1
57.07050	4.8
60.57647	2.7
61.02909	7.6
65.03915	4.7
67.05492	26.3
69.03423	29.1
69.07047	15.6
70.06576	11.7
71.04972	13.1
71.70310	5.5
73.02903	4.1
73.53860	3.2
75.53231	3.1
79.05478	20.6
81.03408	24.0
81.06609	6.6
81.07046	78.6
82.88067	3.0
83.04967	9.2
83.08611	5.3
84.04478	3.6
85.02894	41.1
85.06525	9.7
86.09694	6.4
87.00806	20.6
87.04465	2.8
91.05449	15.2
93.07029	43.0
95.04957	16.8
95.08588	38.3
97.02873	26.1
97.06528	11.1
97.10147	4.3
99.04430	11.5
99.08067	4.5
105.01839	13.1
105.06991	29.9
106.02917	3.7
107.04924	4.3
107.08583	54.2
109.02864	17.8
109.06503	25.3
109.10133	65.1
110.09643	7.6
111.04421	3.5
111.08075	12.8
111.48907	3.2
113.05943	3.4
114.44006	3.0
117.07001	7.3
119.08569	36.9
120.08061	6.1
121.06488	10.4
121.10126	33.8
123.04415	4.3
123.08031	9.1
123.11675	13.1
124.03954	9.4
125.05986	5.7
125.09597	9.4
127.03899	26.7
129.01831	5.0
129.09096	4.7
131.08516	14.3
133.10104	19.2
135.08026	41.8
135.11646	21.4
137.05879	6.1
137.09583	50.4
137.13232	5.7
138.09084	8.4
139.03886	4.6
139.07539	3.7
139.11110	8.4
143.08501	7.8
145.04898	5.7
145.10086	26.5
147.07997	9.5
147.11665	10.4
149.06006	5.7
149.09616	13.4
149.13242	3.4
151.11180	8.0
153.09047	7.6
153.12706	5.5
155.10684	4.2
157.08699	3.3
157.10088	13.1
159.02856	6.2
159.08014	9.7
159.11665	14.2
161.09549	12.4
161.13226	23.1
163.03865	10.3
163.07503	46.0
163.11150	12.1
165.09099	25.3
166.08597	18.8
167.06955	4.6
167.10667	10.1
169.09924	3.8
169.12221	4.4
171.11638	6.2
173.09573	6.7
173.13222	9.4
175.11151	4.9
175.14807	3.8
177.09090	4.1
177.12714	5.5
179.10664	5.2
179.14252	4.2
181.08495	6.7
181.12256	4.7
183.10231	4.6
184.29628	3.5
185.09570	12.8
185.13274	6.6
187.14807	6.1
189.12689	11.0
189.16187	3.5
191.10703	3.9
191.14256	5.0
199.14806	13.7
201.12772	7.3
203.14262	11.2
203.17805	4.0
205.12279	3.3
205.59352	2.9
207.13855	4.3
209.15250	3.6
213.03981	5.5
213.16341	5.3
215.14212	5.6
217.15881	10.0
221.15306	8.0
227.14195	24.0
231.13855	4.4
235.17026	3.7
239.16347	34.4
243.13591	3.1
245.15321	72.5
245.19121	4.4
258.71292	3.1
263.08118	12.6
263.16260	34.2
268.08118	3.1
271.20377	4.2
275.19952	6.5
277.17755	5.3
281.17322	37.9
289.21600	11.7
293.21103	9.3
297.08658	4.2
299.20038	25.5
303.05075	6.0
307.07050	43.8
307.22540	9.5
308.07559	3.6
309.20508	11.9
317.21024	50.6
335.22107	100.0
339.09897	5.3
353.23135	94.1
442.13849	6.5
460.15033	9.4
492.17529	7.7
529.22742	11.6
559.54211	3.3
583.27087	6.2
601.28033	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	654.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01872	7.1
55.05508	4.7
57.03431	4.9
57.07074	2.4
59.04992	3.4
61.02926	7.2
67.05492	21.4
68.23540	2.2
69.03418	26.0
69.07054	13.7
69.35349	5.2
69.35754	19.0
70.06617	3.8
71.04970	15.4
73.02914	4.6
73.48407	1.7
76.02204	2.4
79.05087	2.1
79.05463	10.1
81.03404	20.5
81.07040	49.6
81.07473	3.6
83.04990	5.5
83.08609	4.0
85.02892	42.4
87.00803	12.7
87.04469	2.5
91.05463	12.1
93.07027	28.1
93.72913	1.7
95.04955	15.1
95.08588	26.1
97.02875	27.3
97.05968	2.5
97.06553	7.4
97.75870	1.9
98.20683	3.8
99.04453	6.2
105.01904	6.1
105.07005	22.0
107.04984	3.0
107.08570	34.5
107.96403	2.0
109.02875	14.8
109.06481	13.1
109.10130	47.2
111.04486	2.8
111.08084	4.4
111.11704	2.1
117.07025	3.9
118.06553	4.3
119.04933	2.6
119.08550	27.2
119.09300	2.4
119.49184	2.0
121.06480	4.3
121.10126	23.1
123.08099	8.0
123.11688	47.7
123.12521	3.3
124.03930	10.6
125.02374	4.0
125.09654	7.5
127.03908	17.8
127.11205	2.9
128.06265	1.9
129.07051	2.1
130.06516	27.0
131.08545	11.1
133.06432	2.2
133.10091	13.9
135.04501	3.0
135.08029	22.4
135.11655	14.3
137.02318	23.5
137.05986	3.4
137.09579	24.2
137.13268	4.4
138.02786	2.6
139.03899	5.3
139.11101	4.5
141.01785	2.7
143.08586	7.1
144.08073	12.4
145.04948	9.6
145.06543	3.0
145.10088	15.2
147.08075	7.4
147.11696	8.7
149.09567	13.6
151.03951	3.2
151.11243	5.8
153.09096	3.8
153.12718	14.4
155.08582	2.9
155.10657	2.8
157.08623	2.2
157.10132	8.3
159.02943	4.4
159.08072	6.7
159.11726	7.8
161.06030	2.1
161.09644	7.2
161.13300	8.1
163.03938	5.4
163.07541	12.7
163.11182	5.9
165.01822	3.3
165.09061	15.7
165.12746	3.2
165.74881	2.2
167.10696	3.3
169.01349	3.5
169.12268	5.4
170.11070	2.1
171.08034	3.5
171.10228	2.4
171.11710	6.3
171.13826	8.1
172.07509	13.8
173.09630	6.4
173.13254	4.1
175.07574	3.6
175.11229	6.0
175.14851	3.3
177.09120	4.6
177.12701	3.1
179.03470	4.3
179.04921	3.5
181.12212	3.0
183.02844	3.2
183.10208	6.5
183.11665	2.9
185.09679	3.6
185.13306	7.8
187.11143	2.8
187.14844	4.6
189.12823	4.0
190.08612	14.3
191.03447	2.5
191.10690	5.3
191.14397	2.7
193.12215	3.2
197.13242	3.6
199.14880	6.1
201.12766	2.9
201.16455	5.4
203.03273	2.2
203.10789	2.7
203.14436	4.8
207.13852	4.9
213.12746	6.1
213.16458	2.9
215.14317	3.0
217.12227	4.4
217.15941	3.0
227.14369	2.9
229.15883	6.0
229.19440	2.7
231.13899	4.8
235.17023	2.5
241.05055	2.7
245.04468	2.2
245.15378	6.7
255.06468	3.5
257.19064	2.6
259.06073	3.3
259.17099	2.5
263.16373	2.3
271.20602	14.8
273.22098	2.3
275.20056	2.1
281.17160	2.5
281.19427	3.8
287.05444	3.4
288.06271	3.1
289.21680	8.3
299.05518	2.9
299.19977	28.1
302.04276	4.4
303.04971	14.0
315.04916	65.2
315.08481	4.1
316.05521	7.7
317.21054	56.9
327.04883	11.3
329.06525	45.4
330.06796	4.6
330.81677	2.5
335.22098	85.2
339.04913	4.1
345.06024	28.1
353.23163	59.4
353.27518	3.9
357.05988	34.0
375.07053	68.7
376.07251	3.7
456.10608	11.2
474.12015	3.5
492.12814	100.0
493.13248	8.9
583.27332	7.0
601.28442	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	655.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05496	1.4
55.12283	0.5
56.11881	0.4
58.25460	0.5
67.05486	2.2
69.03413	0.5
69.07043	1.0
71.45825	0.5
75.25567	0.4
79.05473	1.8
81.07050	2.2
83.08596	0.6
91.05468	1.9
93.07035	1.4
95.08598	1.8
98.48470	0.5
102.83117	0.5
105.07018	1.9
107.08582	1.3
112.68633	0.5
112.78624	0.5
117.06973	0.8
119.08595	0.8
133.06468	0.5
133.10081	0.6
139.72557	0.6
140.09480	0.5
145.10077	0.8
208.53606	0.6
234.30711	0.6
273.18646	0.8
275.20120	1.0
291.19727	1.1
313.08310	0.5
370.36105	0.6
377.17554	0.6
391.19101	1.6
392.19855	0.7
405.17172	1.5
406.17566	0.6
407.22568	4.5
419.17938	2.4
419.23294	0.9
420.19125	1.1
421.20245	1.4
422.26270	0.7
432.19745	0.7
433.20493	4.4
434.21091	4.8
435.21768	8.7
445.20084	0.8
446.20477	0.8
447.17172	1.0
447.22052	2.2
448.23206	0.9
449.19028	2.3
450.86981	0.5
461.19699	1.9
462.20389	5.1
463.21140	3.7
475.21329	1.4
476.21851	1.3
477.22919	1.7
479.20523	0.8
493.22501	0.8
495.23898	0.6
505.22327	0.9
508.24841	1.7
509.25403	1.5
521.25562	10.6
522.26215	0.6
535.27032	0.7
537.25781	0.6
549.24890	18.8
553.24127	0.9
563.26544	3.0
564.27081	0.9
577.24506	0.9
581.27637	3.0
595.29291	8.8
596.30524	0.6
607.28333	0.8
609.26941	10.6
623.28522	1.2
637.40570	0.7
655.31134	100.0
656.31427	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	655.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	0.5
53.03904	1.8
53.36271	0.5
55.01866	6.6
55.05500	15.4
55.46330	0.6
57.03427	12.1
57.07034	0.7
60.85322	0.7
65.03929	3.1
65.04192	0.7
67.05492	33.9
68.05788	0.6
69.03416	6.6
69.07055	19.4
71.04931	2.3
71.05274	0.6
71.69511	0.6
77.03870	0.7
79.05478	28.0
80.45335	0.7
81.03400	4.9
81.07041	23.9
83.04964	3.5
83.08598	5.4
85.06527	9.2
91.05461	26.5
93.07027	21.6
95.04952	29.6
95.08586	14.3
97.02870	5.6
97.06507	4.2
97.10161	6.3
98.21057	0.8
99.04399	0.8
101.01273	0.6
103.05438	1.4
105.06350	1.0
105.07006	15.8
107.04938	11.1
107.08573	15.4
109.06496	33.0
109.10143	4.8
111.08048	1.4
113.05984	22.9
115.05371	2.3
117.06276	0.8
117.07001	11.0
119.04867	0.9
119.07751	0.8
119.08555	13.9
120.40011	0.6
121.06493	4.0
121.10117	6.7
123.04374	1.5
123.08053	5.2
123.11673	0.8
125.09587	5.5
128.06154	1.7
129.06979	7.5
130.07751	0.9
131.08551	14.6
133.06444	3.8
133.10092	8.5
134.07257	1.0
135.08020	19.9
135.11670	4.3
137.05873	1.3
137.09552	1.8
142.07722	1.5
143.08537	6.4
145.06429	2.2
145.10080	8.8
147.08038	6.7
147.11644	4.4
149.09584	4.7
149.13165	2.2
151.07481	0.9
151.11166	1.2
153.06926	0.6
155.08496	1.7
157.10117	6.6
159.08003	2.4
159.11647	5.2
161.09561	5.9
161.13274	1.7
163.07458	0.8
163.11122	3.3
165.09064	2.2
169.10043	2.3
169.12212	0.7
171.10359	0.7
171.11638	3.7
173.09535	1.5
173.13220	2.4
175.11113	4.9
177.12691	2.7
179.14352	1.1
181.10066	1.2
183.11607	2.0
185.09531	1.1
185.13222	2.1
187.11159	1.6
189.09247	0.6
189.11171	2.0
189.12708	0.8
189.16309	0.7
195.11696	1.0
195.13631	1.4
197.13206	0.9
199.11160	1.3
199.14716	1.9
201.12782	1.5
202.70863	0.6
203.14249	0.8
205.12259	1.1
209.13252	1.3
213.12624	1.2
217.15820	7.6
219.13733	0.8
223.13240	8.1
227.12723	2.3
227.17940	1.4
233.15256	1.5
237.16327	1.6
245.18971	3.2
249.14845	2.1
255.17336	3.0
263.20007	1.8
273.18442	30.3
274.18854	1.2
275.20044	1.1
289.18073	0.8
291.19489	100.0
292.19849	2.7
309.20593	1.8
329.21167	1.1
334.98892	0.7
347.22095	9.9
365.23187	7.5
372.13498	0.7
458.16635	0.8
461.28726	0.9
518.18976	1.0
536.20166	1.0
543.36292	2.2
549.25055	1.0
619.40887	0.8
623.28540	0.8
637.40735	9.3
655.31519	1.9
655.41864	43.5
656.41980	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	656.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29734	0.3
52.61916	0.4
53.03937	0.6
57.03401	0.8
57.44708	0.3
58.75848	0.4
60.50414	0.3
62.01578	0.3
67.05498	0.3
68.99767	0.7
69.03416	3.9
70.06565	0.4
71.04999	0.3
71.67887	0.3
71.68301	0.4
73.02905	0.4
79.05478	0.9
81.03397	1.0
81.07046	0.6
85.02891	7.4
87.00816	27.7
87.04446	2.4
91.05460	2.1
93.07027	3.9
95.04958	1.1
95.08585	0.4
97.02876	100.0
98.03176	0.5
99.04438	0.4
101.02368	0.6
103.05450	1.6
105.01852	13.4
105.07018	2.7
107.04929	3.8
109.10168	0.7
109.96010	0.3
114.24791	0.4
115.03888	2.3
117.07053	0.6
119.04937	0.7
121.06487	17.4
127.79617	0.4
129.10118	0.4
131.04918	0.7
133.04977	0.9
133.06488	1.6
135.08044	1.9
137.05945	0.8
138.11584	0.4
139.03908	0.4
139.07513	0.4
143.03391	0.7
145.06483	1.6
147.08043	0.4
151.07515	13.2
152.08362	0.7
159.02849	0.4
159.08063	0.6
161.05991	1.3
163.07565	0.8
164.08321	0.5
165.06955	0.6
165.09091	6.7
171.02960	0.5
175.07491	0.8
177.09169	0.6
178.07837	0.5
185.06000	0.5
187.07454	0.4
189.09016	0.8
196.08833	0.7
201.03911	35.1
202.04198	0.6
219.04955	8.6
221.09529	0.5
236.07506	0.8
238.09781	0.8
253.12260	0.5
256.10861	0.8
259.13254	25.9
260.13879	0.5
269.11710	2.6
271.13248	29.5
272.13699	0.5
280.10928	0.7
283.13251	3.4
288.11404	1.5
290.09528	0.4
297.12131	0.5
297.15231	0.6
301.10864	0.6
301.14285	11.9
305.11758	0.7
307.13281	0.7
309.14948	1.4
319.13275	1.1
325.14349	1.6
327.15887	0.5
337.14285	9.8
343.15317	0.6
345.08093	2.9
355.15408	5.2
363.09204	1.5
367.15573	0.9
373.16321	0.4
386.09500	0.3
405.43243	0.3
409.95020	0.4
441.15558	0.7
446.89987	0.4
459.16379	6.4
476.31363	0.5
505.82660	0.4
625.22809	0.6
656.25378	0.6
657.24872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01854	3.7
55.05502	23.5
56.01247	1.2
57.03423	2.1
61.02900	1.7
65.03916	2.2
67.05495	21.7
69.03401	2.8
69.07059	6.0
70.09504	5.8
71.04949	1.5
73.02898	1.3
74.71795	1.2
79.05478	23.0
81.03400	5.0
81.07036	17.3
83.04980	3.7
83.08613	13.6
85.02888	3.4
91.05459	17.6
93.07027	10.3
95.04938	2.8
95.08588	7.7
97.02866	2.0
97.06537	1.5
97.10153	22.7
103.05437	9.4
105.07016	15.6
107.04926	3.7
107.08572	12.8
108.60790	1.4
109.06496	2.4
109.10138	5.2
115.05415	5.2
117.06999	28.8
119.08579	9.9
121.06492	2.4
121.10102	3.4
123.04372	1.6
123.08042	2.5
125.09612	24.9
128.06201	2.0
129.07004	13.4
131.04886	1.8
131.08542	18.1
133.06451	5.9
133.10091	4.0
135.08012	4.5
141.06969	5.6
143.08536	5.1
145.06467	5.6
145.10059	7.0
147.07959	2.6
147.11752	1.7
149.09624	2.4
153.06982	1.9
153.09026	3.4
155.08514	11.1
157.06450	3.5
157.10081	3.1
159.08041	3.1
159.11671	3.7
167.08540	2.2
169.10098	4.0
171.08054	2.0
171.10188	2.3
171.11682	4.1
173.09784	1.7
173.13258	2.5
181.10065	2.6
183.11656	1.7
185.13199	3.8
187.14767	5.7
189.11177	11.5
195.11653	2.1
197.13214	7.6
211.14845	2.1
213.12784	2.6
215.14294	35.7
216.14476	1.9
227.12714	17.3
233.15515	1.6
241.12173	2.1
245.13704	1.8
255.13968	1.8
287.16617	2.0
339.23206	3.2
349.21555	5.7
367.22693	11.9
385.23706	9.5
403.24634	3.3
441.26318	51.6
442.26663	4.3
457.51541	1.5
459.27377	100.0
460.27762	5.1
477.28506	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	657.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01854	2.4
55.05511	1.0
56.61345	0.8
56.78802	0.7
63.04261	0.7
65.03926	0.9
67.05486	2.2
67.12037	0.7
68.99767	1.0
69.03418	1.8
69.07086	1.3
70.06587	0.9
70.94451	1.8
70.94797	1.0
71.04961	0.9
79.05472	3.2
81.03404	1.9
81.07046	7.3
83.01311	0.9
85.02883	2.1
91.05450	3.7
93.07040	3.4
95.04939	1.4
95.08575	3.7
97.02862	1.4
99.04436	0.9
105.07010	1.5
107.04935	2.2
107.08565	1.4
109.02903	2.2
109.10146	2.0
111.04422	2.5
115.05411	1.5
119.04939	5.2
121.02797	0.9
121.06467	2.1
123.04411	30.6
123.08021	0.9
127.03892	3.6
129.07033	1.6
131.04901	1.4
133.06508	2.1
133.49762	0.8
135.04419	1.5
137.02332	2.1
137.06023	1.9
137.09587	1.2
139.03879	36.7
141.06972	2.0
143.08618	1.0
145.06471	1.0
145.10085	1.0
147.04391	8.9
147.07993	1.2
147.30876	0.7
149.05948	2.4
149.09618	1.4
151.03857	1.6
153.05385	0.8
153.06987	1.2
157.06508	1.2
159.08028	1.4
161.05966	3.4
163.03899	12.5
165.05470	3.2
169.06506	1.8
171.08025	0.8
173.06004	3.9
175.03928	2.6
179.03368	9.0
181.06487	2.4
185.05980	2.3
187.03912	1.7
187.07446	1.4
189.05443	2.7
189.09030	0.9
195.06421	1.1
195.08116	1.1
197.05971	3.6
199.07550	1.9
201.05423	5.6
203.03345	1.4
203.06998	1.6
209.05943	1.4
211.07555	1.6
213.05463	2.8
215.06895	1.3
217.08475	1.5
219.10254	0.8
221.05988	1.4
223.07494	1.9
225.05426	2.4
226.05995	1.1
227.03493	1.2
227.06967	10.3
229.04912	3.6
235.07463	1.2
237.05432	3.4
239.07014	2.0
241.04861	1.9
241.08495	1.0
243.06523	2.4
245.04448	2.0
251.06915	1.8
253.04884	4.2
253.08563	2.5
255.06433	10.0
257.04492	5.3
259.06018	2.5
263.07004	1.6
265.04919	4.8
267.06534	5.0
269.04398	5.5
269.08047	1.2
271.05994	13.5
273.03934	0.9
279.06345	1.5
281.04434	2.8
281.07962	1.3
282.05157	1.1
282.08777	1.5
283.02832	1.3
283.05972	22.3
283.08896	0.9
285.03995	1.8
287.10498	1.2
293.04416	1.1
293.08115	1.0
295.06042	5.9
295.09088	1.2
295.13162	1.4
296.06802	1.7
297.07562	2.6
299.05450	6.0
303.04803	4.2
305.11606	1.6
307.06250	1.5
308.07010	1.0
309.07498	5.1
311.05444	20.0
311.08762	0.9
313.07043	3.2
313.10577	1.9
315.06189	0.9
319.05896	1.0
321.11087	1.4
323.05566	1.3
323.09167	1.7
323.12762	3.9
325.07147	1.7
325.10577	6.4
327.12204	2.5
333.11002	1.7
337.07211	1.8
337.10638	7.3
338.11365	3.3
339.12271	15.5
340.12836	1.3
349.10776	2.3
351.12302	12.4
355.11804	2.3
367.11728	9.7
379.11707	72.6
380.12030	4.2
381.13315	6.3
385.10254	1.0
391.11819	1.9
409.21616	2.7
419.07495	1.7
421.05246	1.1
435.07059	3.3
441.30176	0.9
459.30957	1.8
469.12677	0.9
471.14478	2.3
477.15277	2.7
477.31964	2.4
487.13757	10.2
489.15283	5.8
495.09329	1.3
501.15433	2.1
505.14877	100.0
506.14948	4.5
513.15015	2.1
517.15302	1.1
519.16284	6.8
531.16333	7.9
621.17053	1.4
639.18634	8.8
640.18823	0.9
657.18701	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	657.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.2
55.05485	1.1
67.05496	2.6
68.99775	1.5
69.03398	1.4
69.07062	1.5
70.18867	4.6
71.04984	1.9
79.05486	2.1
81.03380	1.1
81.07049	6.9
85.02891	2.8
91.05459	4.1
93.07035	2.1
93.33714	0.8
95.04940	2.6
95.08591	2.2
97.02869	1.4
103.05453	1.2
105.07011	2.1
107.04922	3.0
107.08581	2.2
109.02842	1.1
109.10146	2.0
111.04395	1.5
115.05474	1.2
119.04942	4.8
119.08591	1.4
121.06509	1.8
121.10105	1.0
123.04412	28.4
123.08037	1.4
127.03913	4.1
129.06880	1.1
131.08490	1.2
135.04332	1.5
137.02293	2.1
137.09599	1.7
139.03880	30.4
139.04956	1.7
145.06409	1.8
147.04399	9.8
149.05957	2.6
149.09598	1.3
151.03880	2.1
155.04962	1.0
155.08527	1.8
159.08002	1.3
161.05984	1.8
163.03879	9.8
163.50624	1.0
165.05449	3.8
165.06827	1.2
165.09079	1.3
167.08464	1.2
169.06448	2.6
171.04373	1.6
171.08018	1.1
173.05974	3.7
175.03871	2.1
175.07526	1.5
177.09015	1.3
179.03375	10.4
181.06482	2.6
183.23506	0.9
183.38397	0.9
184.05159	1.1
185.06017	1.2
187.03870	1.3
187.07445	1.6
189.05403	2.2
193.08421	1.0
195.06451	1.2
197.05896	2.0
199.07480	2.2
201.05484	5.0
203.03362	2.0
204.58006	0.9
209.05917	1.3
211.03925	0.9
211.07515	1.8
213.05460	2.3
215.03214	1.0
217.04904	1.6
217.08548	1.1
221.05991	1.2
223.07422	1.1
225.05440	2.6
225.09059	1.0
226.06142	1.2
227.06937	8.0
229.04941	3.2
237.05478	4.1
239.06927	2.6
241.04979	1.8
243.06519	2.6
245.04393	1.4
249.05435	1.4
251.07024	2.1
253.04950	2.9
253.08624	1.6
255.06525	8.7
257.04486	5.0
259.05984	1.9
263.06927	1.8
265.04935	4.1
267.06494	4.6
268.07104	1.2
269.04459	4.3
269.07877	1.3
271.05963	10.0
279.06442	3.0
281.04333	3.0
281.07916	1.8
282.05234	1.9
282.08713	1.4
283.06030	20.9
283.09161	1.6
284.06271	1.0
285.03928	2.1
285.12341	1.6
293.04614	2.1
295.06052	6.9
295.09079	1.2
295.13373	1.6
296.06863	1.3
297.07516	3.3
299.05325	5.3
303.05017	6.8
305.07941	1.0
305.11536	1.3
307.05881	1.2
308.06384	1.2
309.04016	1.6
309.07541	4.6
309.11017	1.8
311.05487	19.4
311.08972	0.7
313.07025	2.6
313.10638	2.0
321.11047	2.1
323.09238	1.9
323.12759	3.7
325.07257	1.9
325.10699	7.4
333.11108	1.6
337.07132	2.3
337.10651	7.6
338.11493	2.3
339.12256	12.7
347.05713	1.0
349.10715	1.9
351.12253	10.9
355.11786	1.6
363.12634	1.4
367.11746	10.6
379.11710	70.7
380.12067	2.8
381.13174	6.1
391.11761	2.5
409.21884	5.5
419.07611	1.7
421.05240	2.8
435.06952	3.5
459.14166	1.1
459.30826	2.7
473.15918	1.3
477.15051	2.9
477.31863	2.6
487.13739	10.9
489.15399	6.2
495.08972	2.3
501.15085	1.2
503.16403	1.8
505.14883	100.0
506.15378	5.4
513.15674	1.5
519.16254	5.7
531.16321	7.8
639.18536	9.1
657.17969	7.9
657.28223	2.5
658.20331	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.228
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90468	0.5
68.99725	0.5
71.68965	0.9
78.23872	0.5
84.08096	0.8
87.85185	0.5
91.05454	1.4
115.05386	0.9
117.05721	0.7
117.06986	1.0
117.83234	0.5
118.06520	15.9
123.04405	3.3
130.06493	2.0
132.08093	5.1
135.04410	0.7
136.60593	0.5
139.03867	6.9
142.06473	2.0
143.07275	1.7
144.08066	10.4
146.05981	57.9
147.04385	1.3
147.06334	0.8
151.03893	0.9
159.09163	5.9
160.07567	0.7
161.05843	0.5
163.03864	1.9
165.05513	0.6
170.05997	3.8
177.05408	0.7
188.07034	100.0
189.07324	1.8
205.09689	46.3
207.06424	0.5
245.04448	0.9
257.04562	0.7
269.04214	0.6
291.08554	4.3
356.89828	0.6
371.21567	0.5
478.07745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61175	0.8
55.01854	1.4
55.05496	1.6
57.03426	0.9
65.03909	2.1
67.05486	3.5
69.03420	2.2
69.07066	1.3
70.06582	1.5
71.04980	1.5
71.68089	1.1
79.05476	2.6
80.63503	1.0
81.03413	2.9
81.07032	4.1
83.08594	1.6
85.02863	1.3
86.09663	1.1
91.05460	2.5
93.07023	2.8
94.06527	1.9
95.04951	2.0
95.08588	2.1
97.02842	1.2
105.07000	3.5
107.04954	1.4
109.02856	1.5
109.10125	1.7
117.07008	1.1
119.08545	1.7
121.06550	1.0
121.10123	1.5
122.06016	1.0
127.03899	2.4
131.08531	0.9
132.04445	1.6
133.10107	1.5
135.08055	0.9
135.11676	1.4
136.07578	2.2
137.09602	1.1
138.05455	8.6
138.09106	1.8
145.10094	2.2
148.56631	1.0
149.09554	1.0
151.03845	1.3
159.11630	1.8
160.03911	1.1
162.05482	1.2
166.04979	3.2
178.05150	1.2
182.08266	1.2
183.09109	1.0
188.03412	5.7
195.09264	1.1
197.10762	1.0
197.13098	1.1
200.09261	1.1
206.04518	2.3
211.08659	2.2
212.10765	1.3
213.10246	1.5
222.07965	1.1
223.08640	3.7
225.10181	3.1
228.08890	5.3
234.36446	1.0
237.10217	4.3
238.10899	1.0
239.08110	1.5
239.11774	2.1
241.09570	1.0
241.13161	1.8
243.11200	2.4
251.08157	6.6
252.08722	1.6
253.06041	2.6
253.09714	3.0
254.10448	1.1
255.11157	1.5
256.08408	1.8
257.09213	2.2
257.12747	2.4
259.14359	3.7
264.09012	1.1
265.09705	6.5
266.06818	1.5
266.10434	3.9
267.07654	4.4
267.11295	3.8
269.09045	1.7
271.10907	1.4
272.11444	4.7
277.09537	1.1
279.07605	5.0
281.05627	1.0
281.09161	1.6
283.10559	1.0
284.11539	4.7
285.12292	7.9
287.10068	1.4
293.09213	5.2
294.06348	4.3
294.09839	22.0
295.10739	6.6
297.08618	2.6
297.12033	1.3
299.10150	2.5
303.13290	6.3
307.07068	14.5
311.10120	2.4
321.08871	2.0
323.10016	0.9
325.08096	2.2
339.09708	100.0
340.09930	4.7
345.73300	1.0
367.04816	1.6
367.09183	24.4
385.10229	63.8
386.10382	1.1
388.27518	0.9
420.19046	2.0
438.20013	3.0
477.28644	1.2
495.16608	6.3
545.45624	0.9
581.23816	1.0
597.23071	0.9
625.22821	44.3
626.22760	3.6
630.39600	1.0
639.23578	1.1
657.24915	9.2
658.25226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61175	0.8
55.01854	1.4
55.05496	1.6
57.03426	0.9
65.03909	2.1
67.05486	3.5
69.03420	2.2
69.07066	1.3
70.06582	1.5
71.04980	1.5
71.68089	1.1
79.05476	2.6
80.63503	1.0
81.03413	2.9
81.07032	4.1
83.08594	1.6
85.02863	1.3
86.09663	1.1
91.05460	2.5
93.07023	2.8
94.06527	1.9
95.04951	2.0
95.08588	2.1
97.02842	1.2
105.07000	3.5
107.04954	1.4
109.02856	1.5
109.10125	1.7
117.07008	1.1
119.08545	1.7
121.06550	1.0
121.10123	1.5
122.06016	1.0
127.03899	2.4
131.08531	0.9
132.04445	1.6
133.10107	1.5
135.08055	0.9
135.11676	1.4
136.07578	2.2
137.09602	1.1
138.05455	8.6
138.09106	1.8
145.10094	2.2
148.56631	1.0
149.09554	1.0
151.03845	1.3
159.11630	1.8
160.03911	1.1
162.05482	1.2
166.04979	3.2
178.05150	1.2
182.08266	1.2
183.09109	1.0
188.03412	5.7
195.09264	1.1
197.10762	1.0
197.13098	1.1
200.09261	1.1
206.04518	2.3
211.08659	2.2
212.10765	1.3
213.10246	1.5
222.07965	1.1
223.08640	3.7
225.10181	3.1
228.08890	5.3
234.36446	1.0
237.10217	4.3
238.10899	1.0
239.08110	1.5
239.11774	2.1
241.09570	1.0
241.13161	1.8
243.11200	2.4
251.08157	6.6
252.08722	1.6
253.06041	2.6
253.09714	3.0
254.10448	1.1
255.11157	1.5
256.08408	1.8
257.09213	2.2
257.12747	2.4
259.14359	3.7
264.09012	1.1
265.09705	6.5
266.06818	1.5
266.10434	3.9
267.07654	4.4
267.11295	3.8
269.09045	1.7
271.10907	1.4
272.11444	4.7
277.09537	1.1
279.07605	5.0
281.05627	1.0
281.09161	1.6
283.10559	1.0
284.11539	4.7
285.12292	7.9
287.10068	1.4
293.09213	5.2
294.06348	4.3
294.09839	22.0
295.10739	6.6
297.08618	2.6
297.12033	1.3
299.10150	2.5
303.13290	6.3
307.07068	14.5
311.10120	2.4
321.08871	2.0
323.10016	0.9
325.08096	2.2
339.09708	100.0
340.09930	4.7
345.73300	1.0
367.04816	1.6
367.09183	24.4
385.10229	63.8
386.10382	1.1
388.27518	0.9
420.19046	2.0
438.20013	3.0
477.28644	1.2
495.16608	6.3
545.45624	0.9
581.23816	1.0
597.23071	0.9
625.22821	44.3
626.22760	3.6
630.39600	1.0
639.23578	1.1
657.24915	9.2
658.25226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
62.44546	1.1
64.62026	1.2
67.05502	2.1
69.50890	4.0
69.51312	7.1
81.07018	1.1
93.07067	1.7
98.21152	4.8
119.08578	1.1
140.90926	1.3
146.09596	1.6
153.21788	1.2
160.45790	1.2
163.44116	1.3
205.13838	1.2
209.10794	1.9
221.10696	1.3
223.12366	1.4
237.13914	2.2
241.80368	1.2
247.12364	1.8
260.13083	1.2
261.14005	1.3
273.13876	1.6
273.62695	1.2
274.13672	1.4
275.15390	2.5
287.14786	1.3
288.16138	1.4
313.11795	1.2
318.15881	1.3
331.16953	1.6
332.17749	1.6
337.15671	1.4
350.16553	2.2
352.17621	2.4
363.15887	1.8
365.17538	2.3
367.19882	1.3
375.16193	1.6
376.17795	1.7
377.17972	3.7
378.18976	1.8
379.19437	5.9
380.20285	2.4
381.20984	1.8
389.17874	2.9
390.19153	2.0
391.19476	6.1
392.20712	2.1
393.16629	2.2
393.20770	4.1
394.18005	2.9
403.19495	1.3
405.20895	3.0
407.18039	3.2
407.22366	3.6
408.19406	3.4
409.20276	6.4
417.17432	1.6
419.18250	1.7
419.23102	1.8
421.19702	7.8
422.21228	6.7
423.21814	24.1
433.20416	2.5
434.21008	2.2
435.21951	8.1
436.22324	5.2
437.23276	4.4
446.20947	1.9
449.23541	4.0
450.23972	2.0
451.21109	5.4
452.22757	2.2
454.19983	5.4
461.23682	6.3
462.22177	1.9
463.21320	4.4
464.22235	1.7
465.22717	4.9
466.23322	3.6
467.24335	4.3
468.25171	3.1
476.21869	1.8
477.23145	8.3
478.24078	2.5
479.23993	5.1
480.24466	1.5
481.22098	2.7
491.20636	1.8
493.21643	3.4
493.26117	3.9
494.26849	5.6
495.23538	15.4
496.24377	5.4
505.22321	2.0
507.24051	3.0
508.24738	13.0
509.25925	10.8
510.26349	12.4
511.27252	16.2
516.25110	1.9
519.23877	2.8
521.25348	7.7
522.25555	3.7
523.23370	5.1
525.28845	1.7
526.29065	3.8
537.24878	23.6
538.25684	12.6
545.38232	1.7
549.24762	2.3
551.22595	2.3
553.28235	11.2
555.25922	2.6
565.24371	5.0
566.25250	2.0
570.28174	6.4
581.27661	28.7
582.25977	2.7
583.25403	7.0
596.27545	3.2
597.27026	54.9
598.27515	11.2
607.25305	1.6
613.30145	78.5
614.30280	4.9
625.26508	100.0
626.26514	5.5
657.29138	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	657.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03696	1.8
53.03934	8.0
55.01863	25.1
55.05503	31.2
57.03429	10.2
65.03935	5.1
67.05494	61.6
69.03417	8.8
69.07059	35.9
79.05480	55.5
79.45210	2.2
80.05827	2.5
81.03393	7.1
81.07044	63.6
83.04969	8.0
83.08614	20.7
85.06522	4.9
91.05463	55.9
93.07026	48.7
93.07580	3.5
94.36377	2.1
95.01349	2.7
95.04951	35.5
95.08582	28.1
97.02884	4.8
97.06511	41.4
97.07097	3.5
97.10152	13.3
99.08094	2.9
101.73339	2.4
103.05483	2.8
105.07017	48.4
107.04939	22.4
107.08579	36.1
108.04505	3.4
109.02789	2.0
109.06485	25.8
109.10157	13.0
111.08070	4.4
113.05987	11.7
115.05456	2.8
117.07005	15.4
119.08566	28.9
121.06486	8.3
121.10126	14.3
123.04476	3.3
123.08037	6.1
123.11673	3.7
125.09595	14.6
129.06973	8.8
131.08543	25.8
133.06487	6.2
133.10097	27.2
135.08035	18.3
135.11691	11.3
137.09619	5.9
141.06989	4.4
142.07744	2.6
143.08519	7.8
145.10110	22.4
147.08049	7.3
147.11702	12.1
149.09561	17.6
149.13235	4.8
151.11169	4.7
153.09064	3.8
157.10094	10.7
159.08017	2.6
159.11653	12.8
161.09615	5.8
161.13173	2.9
163.11163	8.7
165.09103	3.4
167.08569	5.4
168.08916	2.8
169.10143	6.4
171.10275	3.1
171.11734	6.4
173.13280	8.1
175.11159	5.1
177.12766	6.3
179.14340	8.0
183.11618	3.3
185.09628	5.6
185.13329	2.5
187.11198	3.5
189.11201	6.7
189.12770	3.6
199.14796	3.4
205.12286	2.4
217.15906	3.6
223.13243	11.0
227.12762	8.3
229.19444	2.7
229.90714	2.5
233.15370	3.0
243.31723	2.6
247.20641	3.2
249.11105	2.3
257.18942	6.4
273.18448	22.7
275.20001	66.0
291.19498	90.7
293.21109	4.8
347.22092	4.4
349.23602	29.4
360.14334	6.3
361.14703	6.6
365.23187	18.2
397.13037	3.0
398.13712	2.7
399.16092	2.4
410.13882	2.3
411.14639	5.7
412.15436	3.1
413.16165	3.2
423.14655	3.0
424.15347	2.5
426.15662	7.5
427.15790	16.6
428.18225	2.9
437.11887	2.5
439.14032	7.8
440.14749	6.3
441.15607	5.4
442.16589	4.9
451.14157	2.4
454.16403	8.0
455.16959	7.0
456.17877	2.6
465.15695	3.5
467.12906	10.3
468.14078	3.9
469.14902	4.0
481.15176	11.3
482.15646	5.6
483.16373	7.0
484.17419	2.9
493.15332	2.7
495.12894	4.0
496.13562	3.0
510.14877	4.9
511.15848	21.1
512.16583	2.5
523.15973	13.1
524.16742	3.3
527.15216	3.2
555.18719	2.4
559.36273	3.1
569.20441	5.9
597.19653	15.7
598.20203	6.9
615.20807	7.8
621.36707	8.9
625.19647	2.8
629.22101	2.8
639.43005	37.8
657.21893	100.0
657.44110	13.9
658.22296	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
54.55101	0.3
55.01842	0.6
55.05483	1.0
57.03405	1.1
57.07067	7.7
58.06594	1.9
59.64358	0.2
61.02921	2.5
63.74094	0.3
65.03915	1.4
67.05494	2.4
68.05007	0.5
68.64028	0.3
69.03400	1.1
69.07041	1.1
70.01826	1.0
70.02243	0.6
70.06581	21.1
71.08620	3.2
72.08139	0.3
73.02879	0.9
73.97624	0.3
74.06055	0.5
75.40308	0.2
79.05484	2.1
79.85728	0.3
81.03390	1.1
81.07038	2.1
83.04969	0.5
83.08588	0.7
84.08121	0.3
85.02892	3.0
85.06528	0.3
85.10155	1.1
88.07616	23.7
91.03940	1.9
91.05466	1.3
93.07027	1.8
95.04945	0.9
95.08617	1.5
95.60270	0.3
97.02885	2.3
99.04414	0.5
101.02359	0.3
102.09164	17.6
103.03900	0.4
103.05428	0.3
105.03374	0.6
105.06998	1.2
107.04916	0.6
107.08577	0.9
107.11454	0.3
109.06509	0.5
109.10149	0.7
113.05980	0.4
115.03922	0.4
117.06989	0.5
119.08559	1.0
121.10098	0.7
123.42406	0.3
127.03898	1.1
131.04904	0.7
131.08534	1.0
133.10112	0.5
135.07986	0.5
135.11674	0.8
139.03886	0.7
143.08629	0.4
145.04936	0.8
145.10057	0.6
147.04398	0.8
147.07979	0.3
147.11722	0.6
149.02321	40.8
149.13252	0.3
153.07030	0.4
159.11676	0.3
173.13248	0.4
175.03831	1.5
177.05486	1.3
191.06998	0.6
193.04939	51.7
194.05228	0.8
201.07678	0.3
212.23706	0.8
219.06628	1.5
225.05473	0.9
237.07539	13.9
238.60269	0.3
256.26321	51.6
257.26715	0.8
261.22171	0.5
269.04419	1.7
269.07770	0.3
276.20502	0.6
291.19580	1.0
292.19827	0.6
297.03891	2.8
300.28900	1.2
313.06949	3.3
335.25797	2.3
341.06516	10.8
343.08286	0.5
359.07529	6.9
385.09131	21.5
386.09293	0.5
403.10321	0.3
429.11765	31.7
430.12189	1.0
596.32056	0.3
640.34515	1.2
658.35754	100.0
659.36096	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	15.5
69.55206	100.0
73.92469	14.4
79.05488	25.2
81.07048	21.6
89.05032	13.6
89.06007	25.4
93.07020	18.5
98.20695	22.6
105.52505	15.7
107.08611	14.9
133.08646	17.6
133.10004	13.2
157.62144	13.9
162.40616	14.3
181.81966	14.7
357.72574	13.8
659.22278	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2338
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.03935	1.0
55.01856	3.6
55.05511	6.6
57.03414	1.7
60.17388	1.0
67.05497	11.9
69.07049	3.8
70.13811	1.0
71.69868	2.0
77.00522	0.9
79.05486	7.1
81.07040	12.1
83.08603	2.6
91.05476	7.1
93.07034	7.4
95.04949	2.5
95.08598	6.2
95.09106	1.2
97.06529	3.3
97.10172	1.3
105.07012	6.5
106.85725	1.1
107.04936	3.1
107.08576	5.6
109.06483	2.6
109.10135	4.8
113.73502	1.1
117.07021	1.7
119.08556	4.9
121.06507	1.3
121.10099	2.8
123.11660	1.6
129.06940	1.7
131.08536	4.3
133.10126	5.9
135.08006	1.6
135.11708	1.3
137.05916	2.0
137.09604	1.2
143.08572	1.4
145.10089	4.5
147.08049	1.4
147.11627	3.4
149.09581	2.2
149.13200	1.7
155.08458	1.4
157.10088	1.5
159.11679	2.4
161.13229	1.3
185.13255	1.5
225.54086	1.2
233.65518	1.0
235.16869	1.1
254.81493	1.1
257.19028	1.2
259.20459	2.1
269.17505	1.1
275.20004	10.2
293.20856	1.6
298.79633	1.1
307.50784	1.1
349.23648	3.8
367.24625	1.6
385.12836	2.2
386.13458	1.4
399.14487	3.7
400.15247	9.9
401.15918	1.8
413.15924	4.3
414.16608	4.3
421.12888	3.1
422.13718	6.5
423.14438	8.6
424.15649	1.3
426.17032	1.3
427.18106	1.5
428.17398	1.7
429.19043	4.4
435.14450	4.4
436.15189	8.2
437.16302	13.1
438.16681	3.1
439.17703	2.0
441.15430	2.5
449.16113	2.4
450.16754	4.1
451.18271	6.5
452.18329	3.2
456.17853	2.1
463.13553	2.3
464.14731	4.0
465.15073	3.7
465.20001	2.5
466.15747	2.5
467.17337	5.1
469.15137	3.7
470.15552	1.4
478.16162	3.4
479.17310	6.4
480.17795	5.1
481.14230	1.9
482.15793	2.3
483.16562	6.8
484.16394	2.6
487.34094	1.8
493.18985	13.6
494.15738	3.6
494.20203	1.4
495.15927	8.3
496.16937	3.1
498.15408	3.2
506.16122	1.7
507.16559	4.2
508.17514	10.0
509.18216	6.2
511.19232	3.4
512.16333	9.4
513.16364	2.0
516.23615	2.3
521.18341	14.0
522.15906	3.6
522.18573	4.3
524.16693	1.2
525.20642	1.6
526.14893	2.4
539.18713	3.1
540.18982	3.8
543.22144	3.2
543.36707	1.7
549.17621	1.6
553.20886	20.7
554.20758	3.2
571.21790	5.4
572.21991	4.6
581.20264	56.5
582.20239	7.1
594.23199	1.5
599.13416	1.4
599.21246	18.8
600.20892	3.9
609.19226	1.5
613.22943	30.1
614.23120	2.6
622.22803	4.3
627.19556	1.3
631.23877	5.7
641.22351	100.0
642.22650	13.2
658.42963	1.5
659.12701	2.2
659.23376	34.1
659.42468	6.8
660.23492	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2338
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.03918	1.1
54.90418	0.6
55.01859	2.6
55.05502	3.3
57.03428	2.6
61.02917	1.3
67.05491	8.8
69.03400	0.9
69.07058	3.8
69.50185	2.8
69.50616	4.1
69.98973	0.6
71.04977	2.1
73.02919	0.8
79.05482	6.6
81.03399	1.9
81.07038	11.1
83.04946	1.1
83.08595	2.4
85.02904	2.0
89.06025	0.9
91.03939	1.5
91.05464	8.2
93.07038	8.9
95.04950	2.8
95.08587	6.7
97.02885	2.3
97.06508	3.2
97.10143	1.7
104.41530	0.7
105.07014	6.7
107.04962	1.8
107.08584	4.3
109.06508	1.9
109.10141	3.2
111.04477	0.9
117.06995	2.8
119.08559	5.2
121.06441	0.9
121.10116	3.8
123.08079	1.3
123.11608	0.6
125.09643	0.7
127.03870	1.2
129.06989	1.5
131.08606	4.1
133.10098	5.1
135.08083	1.4
135.11697	1.8
137.09607	0.7
143.08524	1.6
145.04965	0.7
145.10114	2.8
146.27995	0.7
147.11685	2.7
149.09590	2.4
149.13231	0.8
155.08551	1.0
157.10098	2.4
159.11716	2.3
161.09555	0.9
161.13171	1.6
163.11133	0.7
169.10182	1.4
171.11598	1.1
173.13237	1.8
176.21767	0.7
183.09071	0.8
183.11700	1.2
185.13237	0.8
197.13243	1.0
227.12553	0.9
239.18027	1.0
257.18924	0.9
259.20416	1.2
268.74127	0.7
269.17358	0.8
273.18463	1.1
275.19977	6.3
292.20142	0.8
333.24158	1.3
335.25891	1.5
349.23535	3.7
385.12991	2.0
386.13913	1.4
398.13849	1.6
399.14532	3.8
400.15329	7.1
401.15622	1.8
408.12024	1.3
409.13055	1.0
410.14389	0.9
411.14673	2.1
412.15616	2.3
413.16080	4.7
414.16995	4.4
415.17554	0.8
421.13144	2.7
422.13727	4.8
423.14392	4.8
424.15433	3.2
425.16718	1.5
426.16949	2.2
427.13254	1.3
427.18066	2.3
428.18005	2.8
429.19244	4.2
435.14658	3.4
436.15326	5.5
437.16196	9.7
438.16721	2.9
441.15097	2.0
441.20172	0.9
442.16504	2.2
443.16870	0.8
449.16422	1.4
450.17444	3.2
451.18503	5.6
452.18427	2.5
453.15802	1.4
455.17953	3.3
456.17966	2.9
457.16595	0.8
462.15796	0.9
463.14038	0.8
464.14938	2.9
465.14966	2.8
465.19754	2.6
466.20425	0.8
467.17242	2.5
469.14365	4.6
478.16833	1.8
479.17630	3.8
480.18085	5.2
481.14911	2.5
483.16440	5.9
484.16614	3.4
491.13586	1.0
492.14078	0.9
493.19278	7.0
494.16391	3.1
494.19141	3.0
495.16336	5.8
496.17099	3.5
497.14771	2.7
498.14880	3.6
499.16260	0.9
506.15762	1.5
507.16687	3.5
508.17447	6.5
509.18665	5.7
510.18451	1.5
511.16534	4.0
511.19189	3.2
512.16547	10.5
513.17603	2.2
516.23462	1.9
520.17145	1.1
521.17987	13.2
522.17200	4.4
523.19495	2.4
524.18219	0.7
525.17407	2.4
526.15204	2.0
533.18042	1.5
535.15942	3.3
537.17731	1.1
538.18750	1.4
539.19043	8.2
540.17261	5.9
541.17438	1.4
543.22278	3.5
549.17865	1.7
551.19257	5.9
552.19196	1.2
553.21368	13.1
554.20898	1.6
556.19275	0.8
567.18854	1.2
570.21198	0.9
571.21973	9.1
572.21924	4.2
581.20209	47.9
582.20490	4.8
585.23615	2.2
595.17761	3.3
599.21112	22.0
600.21442	4.3
609.19415	1.0
613.22852	29.5
614.22888	2.3
622.22955	3.4
623.42682	2.3
627.20770	15.8
628.21027	1.1
631.24097	5.4
641.22339	100.0
641.44287	3.0
642.22571	10.2
659.23352	28.2
660.23267	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	659.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05502	0.9
65.03936	1.4
67.05485	2.4
69.03420	0.9
69.07050	1.0
69.40311	2.0
69.40715	7.3
79.05464	1.7
81.03404	1.3
81.05827	0.8
81.07048	1.8
83.04947	1.1
89.03873	1.2
91.05457	2.6
93.05785	1.1
93.07024	3.6
94.06554	8.7
95.04934	1.4
95.07345	3.5
95.08573	1.4
96.08115	8.7
97.06516	2.4
98.20636	1.7
103.05411	0.9
106.06538	2.2
107.04932	5.8
108.04456	2.2
108.08102	12.3
109.08820	0.9
110.09659	12.1
116.04940	3.6
118.06573	0.9
119.04942	2.7
120.04444	3.8
120.08064	10.9
121.06472	0.9
122.06020	6.5
123.04417	3.9
124.07577	9.6
127.03839	1.0
134.05988	5.2
135.04401	1.6
136.07555	12.6
138.09116	14.0
139.03879	5.5
144.04419	7.6
146.05968	7.2
147.04425	2.7
148.07552	3.5
151.03896	2.0
152.06998	2.3
153.05403	1.4
160.03954	3.1
160.07549	1.2
162.05443	7.8
163.03867	1.8
164.07097	2.8
166.08594	16.8
172.02437	2.0
172.03900	29.5
174.05498	3.4
176.07010	5.9
178.04926	1.0
179.03400	1.3
184.09871	1.4
186.05867	0.9
190.04953	24.1
197.07045	1.5
197.10745	1.2
198.09189	1.2
199.08673	1.8
201.10208	1.1
204.06531	47.2
211.08672	1.7
212.09375	2.2
213.10170	5.7
214.10957	3.5
215.11755	2.8
219.10097	3.1
223.08531	1.2
224.09454	2.1
225.10223	3.4
226.08643	1.5
226.11034	2.3
227.08101	1.2
227.11667	2.9
229.13342	3.4
231.06500	1.8
236.09439	2.9
237.10188	4.7
238.11006	3.6
239.11751	2.8
241.09683	4.3
241.13446	1.1
243.11256	13.9
249.10223	2.8
251.08104	1.6
251.11804	1.5
252.08951	1.0
253.09653	3.3
254.10422	1.4
255.11282	4.2
256.12033	1.6
257.04333	1.2
257.09042	1.0
257.12796	11.0
263.08099	2.2
264.08884	4.6
265.09656	2.9
267.11172	1.6
269.09302	5.1
269.12177	1.3
271.10687	3.6
273.07672	1.2
273.12253	9.5
277.09698	2.8
279.11212	4.0
281.09192	1.5
281.12955	1.0
283.10703	6.4
284.11505	1.5
285.07504	1.1
285.12250	22.4
287.05466	1.3
287.10123	7.9
295.10635	1.5
297.12277	9.0
299.10593	1.8
299.13943	5.1
301.11850	3.6
302.12924	2.7
303.13358	32.7
304.14285	2.2
307.10815	1.5
310.79337	0.9
311.10223	1.6
313.11850	2.5
314.16415	1.7
315.10303	1.4
316.10660	2.3
316.14313	1.8
317.15048	1.5
318.16064	1.9
323.10226	7.4
325.11755	31.0
327.13428	4.2
328.14185	1.2
329.11386	2.7
330.12201	3.0
330.15872	1.3
331.13153	1.3
332.13904	1.3
339.13266	1.3
342.12283	2.1
343.12842	7.7
344.13834	4.0
345.14856	2.5
346.15405	3.7
347.16168	2.7
356.13690	1.4
357.14545	8.1
358.11578	1.2
358.15598	6.5
360.16992	1.9
368.13657	1.6
369.12823	1.0
370.11777	2.6
370.15747	1.4
371.12390	5.7
372.13226	5.2
373.14169	1.4
374.14886	3.9
376.16653	1.4
384.13040	1.7
384.17432	1.2
385.14395	3.7
386.14899	13.2
387.15750	5.1
388.16626	1.3
390.18271	1.3
392.15930	2.7
394.17630	1.3
400.12390	1.7
400.16849	1.4
401.13559	2.0
402.13898	2.5
402.18399	1.7
403.15430	1.4
404.16092	9.6
406.17581	3.0
412.16339	1.5
414.14407	14.4
415.15158	26.3
416.15582	3.0
418.17450	3.3
420.15396	4.1
428.16000	2.7
430.17444	4.0
431.16110	1.3
432.15466	16.0
433.16183	1.0
438.16895	2.0
444.15466	2.9
446.17145	4.8
456.15463	6.1
462.16440	20.1
464.18109	1.8
474.16522	52.0
475.16888	1.4
476.18213	2.0
488.18530	1.0
494.18796	1.2
497.10648	1.6
506.19284	9.7
568.22711	1.1
581.23578	2.8
583.25195	3.2
585.23724	7.7
599.24957	7.9
609.23419	12.0
627.24371	100.0
628.24561	4.4
631.27643	1.4
641.26190	2.0
659.26819	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	659.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82445	1.4
52.95220	1.4
53.03930	6.8
54.55567	1.5
55.01852	4.5
55.05507	13.0
56.93082	1.5
57.03427	23.8
57.07056	4.9
61.02917	82.2
67.05496	43.5
68.62046	1.5
69.03416	31.2
69.07067	9.6
70.02511	10.0
70.06563	5.8
71.01324	4.0
71.04981	4.9
73.02520	2.2
73.02909	26.7
75.71749	1.5
79.05478	28.2
81.03409	23.3
81.07042	48.1
83.04968	6.8
83.08598	6.3
85.02891	100.0
87.04460	3.1
88.07626	8.3
91.03941	58.8
91.05460	21.1
93.07036	34.4
95.04941	5.9
95.08591	30.6
97.02880	72.1
97.06506	3.9
97.10126	3.0
99.04436	12.6
101.02348	8.1
102.09174	9.0
103.03914	8.3
105.07013	12.1
107.04903	3.2
107.08572	18.8
109.02863	14.3
109.06451	3.1
109.10147	16.9
111.04417	2.5
113.34049	1.5
115.03920	7.5
117.05454	3.3
117.06997	5.0
119.08569	11.4
121.10127	18.2
123.08120	1.8
123.11666	5.9
127.03894	37.9
128.65822	1.5
129.05469	5.9
131.08505	11.0
133.10120	10.6
135.08138	2.0
135.11659	11.7
137.06009	1.8
137.09570	2.1
137.13177	2.5
145.04935	24.2
145.10136	9.0
147.11682	8.9
149.02333	10.8
149.09457	1.7
149.13245	9.2
150.02643	3.4
157.10071	3.1
159.06506	3.2
159.11661	6.7
161.13222	6.3
163.05998	6.6
163.11153	1.9
163.14838	3.3
169.10071	2.1
171.11661	2.2
173.13214	7.1
176.57942	1.7
183.06488	6.3
187.14804	3.2
193.04922	13.0
194.05298	4.6
201.07574	6.6
222.33746	1.5
237.07602	3.9
243.21075	6.1
256.26343	11.8
257.26608	10.5
261.22046	18.5
269.17413	3.6
279.23355	2.1
285.22375	1.9
314.95880	1.7
333.24274	2.1
335.25763	69.5
336.26001	2.7
341.06400	2.2
347.44781	2.1
351.23172	2.6
353.90176	1.7
363.25159	3.8
369.24014	2.3
385.09058	3.6
386.09399	5.0
429.11612	3.7
430.11951	6.7
443.27844	5.0
452.22501	1.6
461.28894	1.9
463.30490	11.1
479.30020	7.0
586.45923	1.9
659.36090	39.0
660.36713	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
54.23833	0.9
55.01865	5.9
55.05497	11.2
57.03427	23.9
57.07057	1.3
59.04997	1.1
61.02915	79.0
65.03927	2.2
67.05492	44.5
69.03416	32.0
69.07062	11.5
70.20554	4.9
71.01340	4.0
71.04971	6.6
73.02905	25.0
73.65105	0.9
75.04457	1.2
76.04974	0.9
79.05024	1.3
79.05479	31.8
81.03400	24.1
81.07041	45.2
83.04961	4.1
83.08602	4.9
85.02888	100.0
85.06529	2.4
87.04445	3.6
91.03939	61.6
91.05461	24.5
93.07029	33.3
95.04966	7.0
95.08585	37.3
95.09198	1.8
97.02872	75.2
97.06481	5.4
97.10160	3.0
98.20939	1.8
99.04446	11.3
101.02354	9.2
103.03941	6.4
105.07011	17.3
107.04917	3.1
107.08572	17.3
109.02866	12.0
109.06497	4.6
109.10132	17.4
111.04417	3.3
111.08092	2.3
115.03219	1.1
115.03911	7.0
115.05405	1.0
117.05459	2.6
117.06995	8.1
119.08549	15.5
121.06478	2.3
121.10123	16.9
123.04398	1.2
123.08038	3.1
123.11678	6.3
123.13484	1.0
125.09611	2.9
127.03891	38.2
129.05475	5.3
129.06964	2.1
131.08539	10.9
133.06551	1.1
133.10101	11.7
135.08006	2.8
135.11681	13.4
137.09601	2.2
137.13196	2.1
139.11172	1.2
141.06946	1.2
143.08517	3.0
145.04919	24.9
145.10094	9.0
147.08040	1.1
147.11681	8.5
149.09583	3.5
149.13206	6.9
155.08545	2.1
157.10075	2.0
159.06567	2.0
159.11653	8.2
161.13214	7.3
163.05988	8.2
163.11111	2.1
163.14786	2.9
165.12816	1.1
169.10010	1.6
171.11690	2.6
173.13226	6.9
175.11333	1.2
175.14792	2.3
177.12726	1.9
177.16251	1.0
179.14256	1.2
183.06487	5.2
183.11665	2.0
185.13240	1.4
187.14801	3.5
189.12721	1.2
197.13211	1.2
199.14822	1.3
201.07576	4.6
201.16360	1.1
205.12135	1.2
207.53076	1.1
222.72485	1.1
223.14763	1.3
227.12640	1.1
239.17783	1.2
243.21043	5.0
243.74765	1.1
259.20587	3.0
261.22128	15.1
273.22101	1.8
275.20026	7.1
285.21857	1.3
285.32162	1.0
291.19446	1.7
293.20731	1.2
303.23172	2.0
315.22931	1.4
327.23181	1.1
332.90604	1.1
333.24103	1.1
335.25729	59.7
336.26181	1.1
349.23645	2.5
363.25269	3.1
369.24109	2.1
443.27808	3.3
461.28552	1.9
479.29874	6.2
623.42871	1.2
641.43335	1.2
659.32416	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	660.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.7
55.01854	1.7
55.05500	8.1
57.03427	6.7
57.07056	1.6
60.04520	0.8
61.02918	3.4
62.13388	0.7
65.03916	1.3
67.05143	1.5
67.05494	28.3
69.03421	1.1
69.07058	10.9
70.06550	0.9
70.23269	3.6
71.04978	3.1
71.08614	1.3
72.04490	2.8
73.02895	0.9
73.11330	0.7
79.05479	17.7
81.03387	2.6
81.07041	44.8
82.07355	0.8
83.04980	3.3
83.08611	10.3
85.02889	4.5
85.06524	3.2
91.03934	2.3
91.05459	13.5
93.07030	29.5
95.04961	3.7
95.08587	11.0
97.02885	1.9
97.06499	5.4
97.10146	0.9
99.08094	0.9
105.07029	5.3
107.04926	3.6
107.08575	16.9
109.06496	2.3
109.10141	1.7
111.08058	3.0
117.06999	5.6
119.08546	2.0
121.06480	1.6
121.10125	5.9
122.71214	0.7
123.04422	5.8
123.08031	1.0
123.11675	3.7
131.08554	6.5
133.10110	9.8
135.08011	1.6
135.11681	6.4
145.99542	0.7
149.02293	1.2
149.05972	1.7
149.13223	12.0
151.11157	1.6
159.11638	7.3
177.12717	2.7
180.80618	0.8
193.04990	0.9
194.05322	0.9
195.13777	9.9
213.14786	1.0
251.16463	2.0
268.26376	1.0
269.17432	57.3
270.17810	1.0
275.87778	0.7
314.26917	2.0
332.27722	3.9
445.29398	2.6
463.30472	100.0
464.30948	5.2
642.39929	1.6
660.36646	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	660.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21008	0.8
53.03932	1.6
55.01856	1.4
55.05503	6.5
55.11586	0.5
57.03431	4.6
57.07064	1.7
61.02917	3.6
65.03899	0.9
67.05493	27.1
69.03416	1.7
69.07060	8.0
70.09875	0.6
70.30945	2.7
71.04500	0.6
71.04975	2.2
72.27274	0.6
73.02876	1.1
73.44523	0.5
79.05478	19.8
81.03390	3.6
81.07043	40.8
83.04974	2.8
83.08616	6.9
85.02886	4.9
85.06541	3.0
87.00814	0.8
90.75212	0.7
91.03963	0.9
91.05466	13.7
93.07029	26.9
94.42752	0.6
95.04961	2.4
95.08583	9.4
97.02867	2.3
97.06523	5.5
97.10187	0.8
98.17160	0.6
99.04452	1.2
99.08094	1.3
105.01858	0.9
105.07011	7.9
107.04945	1.1
107.08570	14.2
107.77618	0.7
109.02853	1.6
109.06493	1.8
109.10133	3.3
111.08076	2.4
115.05414	1.0
117.06976	5.6
119.08568	3.5
121.06480	1.6
121.10102	6.5
123.11686	2.0
127.03898	3.3
129.06975	2.4
131.08543	7.1
133.10095	8.1
135.08035	1.5
135.11697	4.3
142.07741	1.0
143.08557	2.3
145.10063	3.3
147.11679	3.2
149.09518	0.8
149.13226	11.5
151.11188	1.5
153.09079	0.6
155.08511	1.1
157.10095	5.0
159.11650	7.1
169.10170	0.8
171.11687	1.6
177.12724	2.4
183.11687	1.4
185.13286	0.7
195.13783	6.4
197.13258	1.9
209.13327	0.9
213.14810	1.0
232.56126	0.6
251.16414	2.0
253.19492	10.7
269.17432	24.7
270.17828	0.9
271.20490	1.0
316.28653	1.2
353.24551	1.4
371.25797	1.3
389.26825	1.4
427.28336	0.8
445.29456	11.5
452.48932	0.7
463.30484	100.0
464.30676	3.9
481.31622	0.9
519.25623	2.0
607.34393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01849	0.6
55.05501	7.0
57.03430	4.0
57.07064	0.8
61.02913	2.9
65.03905	0.8
67.05492	25.7
67.54562	0.6
68.11868	0.5
69.03407	0.8
69.07063	8.4
69.88716	1.2
69.89134	2.6
71.04978	2.8
73.02901	0.8
79.05477	15.0
79.96915	0.5
81.03397	2.2
81.07043	34.2
83.04958	3.1
83.08607	7.3
85.02862	2.7
85.06528	2.2
91.03941	1.2
91.05466	11.1
91.92432	0.5
93.07028	24.4
95.04945	2.6
95.08589	10.3
97.02879	1.4
97.06518	4.7
97.10123	1.0
99.04436	1.0
99.08085	1.4
105.07004	5.5
107.04950	0.9
107.08582	14.1
109.06502	1.5
109.10143	2.5
111.08060	3.5
117.07005	5.8
118.96257	0.5
119.08542	4.4
121.06483	1.7
121.10134	9.0
123.11699	2.0
129.06979	2.3
131.08536	7.4
133.10100	7.5
135.07996	0.8
135.11673	5.2
141.07051	0.7
143.08517	1.4
145.10086	1.6
147.11673	1.9
149.13235	11.0
155.08563	0.6
157.10088	1.3
159.11699	5.6
167.08511	0.7
171.11668	1.3
177.12773	1.9
185.13219	0.7
195.13779	8.0
213.14607	0.8
217.15794	0.6
241.61465	0.6
251.16356	1.5
269.17432	26.8
270.17719	1.3
316.28549	0.8
325.24887	0.6
331.34940	0.6
335.23846	0.8
339.18164	0.6
343.26178	1.2
353.24683	2.0
371.25766	2.5
389.26776	1.5
413.21817	1.0
427.28354	1.0
445.29456	16.8
446.29843	1.0
463.30490	100.0
464.30835	7.7
481.31732	1.8
577.05127	0.6
607.34381	5.0
608.34436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.4
55.01859	2.0
55.05503	8.0
57.03430	8.6
57.07048	2.1
61.02914	8.7
61.71773	0.6
65.03928	1.2
65.99162	0.8
65.99496	0.6
67.05495	39.0
68.05846	0.7
69.03405	2.8
69.06687	1.1
69.07056	14.0
70.06579	2.1
70.42104	2.5
71.04984	3.3
71.06864	0.7
71.08618	1.0
72.04496	0.8
73.02895	2.3
79.05479	24.2
80.05801	0.8
81.03426	3.7
81.07041	53.2
82.07377	1.0
83.04971	5.0
83.08601	10.5
85.02881	9.3
85.06519	2.9
86.03280	0.8
88.07607	1.1
91.03934	4.1
91.05457	12.9
93.07029	37.9
95.04945	4.6
95.08587	14.5
96.08929	0.8
96.33002	0.7
97.02867	6.2
97.06525	6.0
97.10142	1.3
99.08056	1.4
101.02380	0.8
105.06998	6.1
107.04930	3.4
107.08571	21.0
109.02861	0.7
109.06496	1.8
109.10130	3.1
111.08093	4.2
111.11707	0.8
117.06995	6.6
119.08547	2.2
121.06445	1.4
121.10125	10.6
123.04373	1.7
123.11710	3.8
125.09616	0.7
127.03909	2.3
131.08548	6.8
133.06458	0.9
133.10107	7.6
135.08014	1.3
135.11676	8.6
145.04924	1.2
145.10098	1.0
147.11655	1.3
149.02312	2.8
149.13234	17.6
151.11153	1.1
157.10039	0.8
159.11684	7.1
177.12759	3.1
193.04956	2.8
194.05318	1.4
195.13760	9.4
213.14935	1.3
215.81332	0.7
251.16454	1.3
256.26382	1.5
257.26715	1.5
262.22375	1.0
269.17438	49.8
270.17737	0.8
314.26804	0.8
317.03116	0.7
324.23944	0.7
335.25909	2.7
336.26123	3.5
386.09470	0.9
387.09732	0.8
430.12268	0.8
431.12161	1.0
437.27832	0.7
445.29333	0.7
463.30484	100.0
464.30814	2.7
660.36090	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01855	1.3
55.05504	6.7
57.03426	8.0
57.07061	1.4
60.27397	0.4
61.02910	1.7
65.03923	1.6
67.05495	39.3
68.05807	0.7
69.03416	0.8
69.07056	13.8
69.81453	0.7
69.81864	2.8
70.23071	0.5
71.04984	3.0
73.02908	0.6
79.05483	20.4
80.05817	0.6
81.03409	1.8
81.07044	49.8
82.07352	1.0
83.04972	3.5
83.08605	9.1
84.95020	0.5
85.02878	1.9
85.06557	2.3
91.03947	0.6
91.05461	10.8
93.07031	38.5
95.04951	3.4
95.08598	11.6
97.02871	0.8
97.06518	8.0
97.10144	1.3
99.04440	0.6
99.08067	1.6
105.04482	0.7
105.07019	4.1
107.04939	1.6
107.08577	19.9
109.06503	2.1
109.10136	2.1
111.08070	5.1
111.11717	0.6
113.09576	0.5
117.07000	6.1
119.08569	1.5
121.06517	1.6
121.10126	11.2
123.11671	1.3
131.08551	5.9
133.10110	5.3
135.08022	1.2
135.11691	5.3
137.51256	0.5
139.11125	1.2
147.11653	1.0
149.09612	0.5
149.13234	20.1
151.11156	0.6
157.10129	0.8
159.11685	8.4
177.12717	4.2
180.43805	0.5
184.07280	0.6
195.13748	7.7
213.14803	1.3
269.17447	55.3
270.17828	1.2
368.24878	0.6
405.51474	0.5
463.30496	100.0
464.30658	4.5
550.47357	0.6
623.54462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09301	0.8
53.03936	1.1
55.01856	1.1
55.05504	3.8
57.03419	1.1
57.07058	3.3
60.60249	0.8
65.03933	1.0
67.05495	8.1
68.05029	0.9
69.03417	1.8
69.07038	4.8
70.06554	1.0
71.08604	1.7
76.90061	0.9
79.05482	7.8
80.05016	7.3
81.03387	1.4
81.07040	7.5
82.02917	1.6
82.06544	2.1
83.08599	2.2
84.04482	1.0
84.67309	1.0
85.10142	1.1
91.05473	5.8
92.83834	0.8
93.03358	1.3
93.05786	1.0
93.07027	5.5
94.06554	6.6
95.04961	3.1
95.08578	6.1
96.04481	4.3
97.06525	2.2
97.10146	1.4
98.06033	1.0
105.07012	5.0
106.06533	1.7
107.08555	2.7
108.04460	11.9
108.08090	1.7
109.06544	0.9
109.10149	2.0
110.06023	8.6
112.08758	1.0
117.07008	2.5
118.06562	0.9
119.08556	2.8
121.06389	1.3
121.10130	2.6
122.06006	24.8
124.03953	0.9
124.07585	3.4
126.05508	1.1
129.06978	2.5
131.07672	0.8
131.08527	4.8
133.10106	2.0
134.05991	2.9
135.11742	1.8
136.07593	3.5
138.05479	1.5
141.06958	1.5
142.07777	1.6
143.08540	5.6
145.10123	2.8
146.09618	0.9
147.11717	2.0
148.07578	1.6
150.05473	19.8
150.06590	1.4
152.07057	3.2
154.07742	1.2
155.08551	1.9
157.10101	6.1
159.08041	3.7
159.11731	1.8
160.07613	2.2
161.09576	4.4
162.09050	1.2
164.07056	1.3
167.08519	10.0
169.10103	5.8
174.09076	1.9
176.07169	0.9
177.09026	0.9
178.08470	1.1
181.10130	0.9
183.08015	0.8
185.09596	9.9
186.09079	1.2
187.09749	1.2
187.11232	2.4
195.11699	1.7
197.13214	1.6
203.10626	0.9
205.10167	1.1
207.11778	2.2
213.09096	1.3
222.12975	1.1
223.11217	1.1
231.10165	2.2
249.11230	2.4
250.12221	2.9
252.13774	1.6
253.12256	1.2
263.23700	1.4
265.25214	1.0
268.13190	1.4
292.13345	2.8
294.14880	1.3
296.12830	3.8
304.26318	0.9
310.14404	1.0
314.13812	6.1
316.15512	2.4
332.14771	5.6
334.16562	1.3
338.13892	2.9
342.27914	2.1
344.29541	4.8
348.94052	0.8
356.14920	7.9
360.14307	7.1
360.28854	1.8
362.15897	5.9
372.14474	1.1
372.29065	3.5
374.15848	5.7
402.15393	25.4
497.01086	0.9
548.37299	1.7
550.38660	1.3
554.67065	0.9
556.50250	0.9
558.98016	0.9
566.38507	1.2
578.37952	6.3
594.37830	5.8
596.39435	6.4
606.37622	7.6
612.38715	1.1
614.40863	3.2
624.38812	19.2
625.39978	1.0
642.39880	100.0
643.40082	4.4
660.23010	2.0
660.40936	56.1
661.41644	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	661.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23938	0.4
50.81231	0.3
51.02380	0.4
53.03931	1.3
55.01870	2.3
55.05507	0.5
59.02734	0.4
63.22555	0.3
65.03922	1.3
65.29205	0.3
67.05492	4.2
69.03430	1.8
69.07059	2.4
70.46867	1.4
77.03919	0.5
79.05480	21.8
81.03400	15.6
81.03877	0.9
81.07052	2.4
83.04961	1.0
85.02877	0.9
91.05463	9.8
93.03381	0.8
93.07025	6.9
95.01302	0.8
95.04957	9.7
95.08587	0.8
97.02842	0.3
97.06509	1.2
103.05455	1.1
105.07014	9.4
107.04965	1.7
107.08579	12.9
109.02855	0.9
109.06493	1.2
109.10114	0.5
111.04422	0.4
113.06052	0.3
115.05440	1.0
117.07008	3.6
118.05197	0.4
119.04916	1.1
119.08544	4.1
121.02855	5.8
121.06490	10.0
121.10151	0.7
123.04385	0.6
125.05968	0.6
127.03883	1.3
128.06192	3.5
129.06979	4.5
131.04901	1.3
131.08534	6.6
133.06450	2.4
133.10104	7.7
135.07939	0.5
137.05946	1.0
141.06955	2.7
142.07748	1.3
143.08539	8.3
144.05708	0.4
145.05237	0.6
145.06465	5.0
145.10104	4.4
147.04399	1.7
147.08031	1.9
147.11664	0.9
149.05971	3.8
149.09604	0.5
151.03853	0.4
151.07491	1.1
152.06148	0.4
153.07025	0.7
155.08514	3.2
157.06477	1.7
157.10089	5.8
159.08035	10.7
159.11650	1.6
161.05954	18.9
161.09590	28.9
162.06287	0.4
162.09885	0.4
165.06981	1.2
166.07745	1.1
167.07104	0.7
167.08530	4.3
168.09309	0.6
169.06474	1.3
169.10106	2.6
171.04350	2.6
171.08008	4.0
171.11642	1.1
173.06004	0.6
173.09601	1.5
173.13164	0.4
175.07492	1.3
177.09114	1.8
179.08525	1.6
181.06425	0.5
181.10092	2.1
182.07249	0.6
182.10905	1.1
183.08014	2.5
183.11623	2.0
185.05957	29.7
185.09511	3.6
185.13274	0.5
186.06448	0.6
187.07559	2.2
187.11145	0.5
191.08551	0.5
192.09294	2.2
193.10088	1.5
195.07982	2.3
195.11653	1.0
196.08907	0.6
197.09601	1.4
197.13223	2.5
199.07458	1.0
199.11189	1.4
202.07755	1.0
203.08624	0.5
203.10626	1.4
204.09349	0.4
205.06784	0.6
205.08469	2.1
205.10199	0.5
207.08093	0.3
207.11673	4.7
209.09641	2.8
209.13097	0.7
210.10443	0.7
211.07510	1.0
211.11130	3.8
212.08392	0.5
213.09100	0.7
217.10103	1.1
219.11644	0.9
220.08772	1.5
221.09627	0.4
222.10376	0.6
225.12708	7.5
227.10765	0.8
227.14293	1.1
235.11137	9.3
237.09018	1.0
237.12688	3.4
239.10735	0.5
249.11162	0.6
251.10776	0.5
253.12225	10.1
253.19490	4.1
255.10153	0.4
255.13776	1.6
257.11621	0.5
258.38782	0.4
263.10580	0.9
271.13257	15.8
271.20676	0.4
281.11679	7.2
299.12720	32.1
300.13074	1.4
313.12051	0.4
317.13782	100.0
318.14124	3.5
327.13919	1.0
342.96225	0.4
343.11615	0.4
345.14542	0.8
363.15857	0.5
373.14209	3.9
391.15277	5.6
407.14600	0.6
409.16501	2.2
419.14597	1.9
435.14307	1.0
437.15683	1.1
519.25818	0.6
538.45605	0.4
540.40265	0.4
547.23187	0.6
551.23529	0.6
579.23615	1.8
597.24774	2.0
615.26141	0.6
625.24316	2.4
643.25031	3.6
661.25977	2.4
661.35620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03936	2.5
55.01631	0.3
55.01863	2.8
55.05498	1.4
57.03429	2.4
57.07064	1.8
61.02912	1.9
65.03911	0.5
67.05495	8.5
68.99784	1.5
69.03418	12.6
69.07056	1.1
71.01337	0.3
71.04987	1.7
73.02906	2.5
79.05479	4.5
81.03402	12.6
81.07042	7.7
83.01334	0.2
83.04995	0.2
83.08599	1.0
85.02891	25.7
85.06526	9.8
86.03215	0.3
87.00812	9.8
87.04455	0.4
91.03925	0.9
91.05464	5.5
93.07029	7.0
95.04945	0.7
95.08590	5.0
97.02873	8.5
98.20741	0.5
99.03786	0.3
99.04436	6.1
101.02403	0.2
105.01131	0.3
105.01845	8.4
105.07008	9.1
107.08569	8.1
109.02859	14.5
109.06493	0.3
109.10137	6.9
110.03190	0.4
115.03889	0.8
115.05403	0.5
117.01801	1.9
117.07003	2.9
119.08556	4.8
121.06461	0.4
121.10127	10.1
122.10552	0.2
123.11681	1.6
125.09590	1.0
127.03895	21.9
128.06209	1.1
129.01828	1.6
129.06982	4.3
129.07936	0.2
130.07751	0.5
131.08545	8.2
133.10110	10.3
135.11678	1.9
141.06970	1.6
141.09087	0.7
142.07761	4.2
143.08542	9.1
143.10619	0.4
144.09268	0.2
145.04935	8.8
145.10095	9.9
146.10403	0.2
147.02898	1.4
147.11659	15.8
148.12010	0.6
149.13246	1.6
151.11110	0.3
153.07010	0.3
154.07745	0.3
155.08507	3.1
156.09317	0.6
157.10100	30.5
158.10399	0.5
159.02861	9.2
159.11667	12.3
160.12065	0.3
161.13213	2.4
163.11115	0.3
167.08472	0.3
167.10660	0.3
168.09300	0.5
169.10074	3.0
170.10899	0.3
171.02965	0.3
171.10184	0.4
171.11665	8.1
173.13219	3.9
175.11211	0.4
177.03888	0.5
177.06870	0.2
180.09206	0.3
181.10170	0.5
182.10884	0.6
183.11659	4.3
184.12297	0.3
185.13231	2.8
186.13972	0.2
187.14795	0.8
189.03902	0.4
195.11664	0.9
196.12454	0.8
197.13228	6.8
198.13872	0.4
199.14813	0.8
209.13191	1.0
210.13847	0.3
211.14775	4.9
212.15456	0.7
213.03926	1.3
213.16267	0.4
221.13228	0.2
223.14844	0.8
224.15544	0.9
225.16351	2.5
231.04951	5.4
238.17104	1.7
239.17563	0.3
249.05959	1.1
251.17921	2.2
253.19472	100.0
254.19810	3.5
255.21031	3.7
265.19394	0.6
269.18988	0.9
271.20517	8.8
272.20892	0.3
277.19537	0.3
281.22504	0.6
295.20456	0.4
295.43488	0.2
313.21667	0.5
377.28351	1.0
395.29373	1.4
413.30502	0.3
438.55505	0.2
460.72037	0.2
483.23685	0.6
501.24652	1.5
519.25830	10.3
520.26312	0.6
625.21985	0.2
661.35016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47782	0.4
53.03939	3.2
55.01866	2.8
55.05489	1.7
57.03421	2.2
57.07056	2.1
61.02909	1.7
65.03934	0.4
67.05142	0.5
67.05492	7.8
68.99777	0.9
69.03419	14.3
69.07051	1.5
70.21185	2.1
71.01331	0.5
71.04974	2.4
72.45937	0.4
73.02907	2.9
79.05489	4.7
81.02937	0.8
81.03404	14.9
81.07049	7.7
83.08593	1.0
85.02893	27.3
85.06527	10.0
87.00814	10.2
87.04433	0.5
91.03937	0.8
91.05453	5.7
93.07025	7.1
95.04948	0.6
95.08582	4.5
97.02873	7.6
97.10095	0.5
99.04445	5.0
103.03879	0.6
105.01847	8.3
105.07018	9.3
107.08582	7.6
109.02865	15.2
109.10146	6.8
115.05463	1.2
117.01837	1.6
117.06990	2.8
119.08568	5.7
121.10126	11.1
123.11645	2.0
125.09568	0.7
127.03895	23.9
128.06183	1.2
128.37120	0.4
129.01817	2.1
129.06981	5.1
130.07762	0.5
131.08549	9.0
131.65063	0.4
133.10109	10.8
135.11673	1.7
141.06975	1.7
141.09076	0.8
142.07758	4.8
143.08543	8.9
143.10413	0.5
144.09283	0.6
145.04938	10.1
145.10106	9.3
147.02869	1.5
147.11661	15.4
148.11969	0.6
149.13237	1.1
155.08528	3.8
156.09314	0.9
157.10101	32.9
158.10448	0.9
159.02863	9.1
159.11665	13.7
160.11896	0.4
161.13268	2.4
163.11137	0.7
163.21754	0.4
167.08554	0.7
169.10146	2.9
171.11659	9.4
173.13220	4.1
175.11148	0.7
177.03986	0.6
181.10101	0.7
183.11679	4.4
184.12321	0.4
185.13200	2.9
187.14761	0.8
187.67726	0.4
189.03828	0.9
195.11720	0.8
197.13228	7.0
198.13878	0.8
199.14894	0.9
209.13249	0.9
211.14775	4.8
212.15263	0.6
213.03879	1.2
213.16386	0.8
223.14793	0.4
224.15535	1.1
225.16315	2.7
231.04956	5.7
238.17148	1.5
249.05974	1.1
249.16063	0.4
251.17973	2.4
253.19479	100.0
254.19839	3.7
255.21016	3.8
269.19016	0.9
271.20529	8.8
281.22647	0.5
295.20648	0.8
299.20166	0.4
301.45712	0.4
313.21774	0.4
377.28259	1.3
395.29355	1.5
440.49268	0.4
464.30765	1.5
483.23718	0.6
501.24884	1.2
519.18280	0.7
519.25818	11.2
520.26123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.5
53.03926	2.7
55.01862	14.8
55.02117	0.7
55.05500	2.5
57.03428	3.1
57.07032	1.2
61.02924	2.0
64.72585	0.3
65.03926	1.8
67.05490	15.9
68.99747	1.3
69.03416	17.5
69.07026	1.3
70.09756	0.8
70.10170	1.4
71.04983	2.9
73.02905	3.9
74.71913	0.3
77.75578	0.3
79.05481	5.2
81.03401	16.8
81.07038	9.6
82.99570	0.3
83.01339	0.3
83.04924	0.6
83.08565	0.7
85.02887	24.9
85.06109	0.3
85.06520	4.1
85.22018	0.4
87.00814	10.3
87.04430	0.6
91.03920	0.7
91.05460	7.5
93.07023	9.7
95.04952	8.6
95.08577	5.5
97.02877	9.5
99.04443	7.2
99.08045	0.3
103.03886	0.6
105.01851	8.1
105.06353	0.7
105.07013	11.2
107.08576	9.2
109.02856	16.7
109.06483	0.7
109.09419	0.5
109.10133	8.8
110.03188	0.3
111.04451	0.4
111.08012	0.6
113.05981	9.7
115.03909	0.7
115.05423	0.6
116.06235	0.3
117.01828	2.0
117.06978	3.4
119.08567	5.8
119.68305	0.3
121.10119	13.3
123.11694	2.2
127.03893	24.6
128.04214	0.4
128.06178	1.5
129.01845	2.2
129.06982	4.8
130.07742	0.7
131.08545	10.6
132.08884	0.4
133.10103	12.8
135.11676	2.5
141.06979	1.8
142.07767	6.1
143.08546	10.0
144.09308	0.8
145.03824	0.5
145.04927	8.2
145.08961	0.6
145.10097	11.7
147.02899	1.8
147.11658	17.2
149.09593	0.6
149.13246	2.6
153.06956	0.5
155.08527	3.5
157.10098	34.5
158.10416	0.6
159.01608	0.6
159.02864	9.6
159.08047	0.5
159.11659	16.8
161.13210	3.0
163.11162	0.5
168.09325	0.5
169.10117	3.8
171.11662	8.7
173.13210	4.3
175.11142	0.6
175.14699	0.4
177.03976	0.4
181.10060	0.9
182.10837	0.7
183.10434	0.3
183.11684	4.4
185.13231	3.7
187.14784	1.0
189.03906	1.0
195.11758	0.5
196.12410	0.9
197.13234	7.0
198.13968	0.6
199.14725	0.9
209.13266	0.7
211.14781	6.1
212.15521	0.8
213.03911	1.6
213.16194	0.8
223.14737	1.2
224.15462	1.5
225.16324	2.8
227.17819	0.4
231.04945	6.7
237.16396	0.6
238.17087	1.3
249.05971	1.1
251.17883	2.9
253.19469	100.0
254.19841	3.0
255.21002	3.1
265.19641	0.5
267.20981	0.5
269.18958	1.0
271.20514	8.4
283.24152	2.1
295.20514	0.9
313.21405	0.7
361.21671	0.4
377.28326	1.1
377.54919	0.3
395.29282	1.7
413.30826	0.4
475.26669	0.4
494.39047	0.3
501.24707	1.9
519.25854	10.3
520.26196	0.4
617.36761	6.6
631.34344	0.4
643.34808	0.4
661.35687	46.4
662.35852	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	661.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03693	0.5
53.03931	3.3
55.01860	15.2
55.05470	2.1
57.03426	2.9
57.07026	1.4
61.02882	1.7
65.03899	1.3
67.05492	15.5
68.99746	1.4
69.03417	14.9
69.07021	2.0
69.60744	2.4
69.61145	1.1
71.04989	2.5
73.02905	3.1
79.05476	5.4
81.03404	14.4
81.06614	0.6
81.07041	9.4
83.08578	1.2
85.02889	26.7
85.06530	4.4
87.00338	0.6
87.00815	10.4
87.04436	0.7
91.03897	0.9
91.05462	7.2
93.07033	7.4
95.04409	0.6
95.04953	11.0
95.08592	5.7
97.02341	0.7
97.02881	9.1
98.20827	1.0
99.04445	6.6
101.02332	0.5
105.01231	0.6
105.01857	7.8
105.02531	0.9
105.07003	11.3
107.08573	9.9
109.02857	17.2
109.10139	10.1
113.05191	0.5
113.05983	8.4
115.03870	0.7
115.05433	0.8
117.01785	2.1
117.06991	4.4
119.08559	5.8
121.06462	0.5
121.09262	0.7
121.10121	12.7
123.11671	2.3
127.03893	25.6
128.06178	1.6
129.01778	2.0
129.06976	4.7
130.07770	0.5
131.08551	10.2
133.10101	10.6
135.11632	3.3
141.06943	1.9
142.07753	5.0
143.08546	9.3
145.03856	0.5
145.04939	8.7
145.10104	11.3
147.02905	2.2
147.11664	19.6
149.13237	3.4
150.09061	0.5
154.07742	0.5
155.08527	3.9
157.10098	35.2
158.10431	1.5
159.01634	0.6
159.02876	10.2
159.11670	16.9
160.12021	0.6
161.13239	2.9
167.08604	0.7
168.09279	0.8
169.10149	2.9
171.11670	10.8
173.13226	4.0
175.11078	0.5
175.14771	0.6
177.03903	0.5
181.10046	1.3
183.11664	5.0
184.07318	0.6
184.12311	0.5
185.13252	3.5
187.14735	1.1
189.03900	0.7
195.11504	0.5
197.13228	7.3
199.14799	1.3
209.13150	1.1
211.14767	5.4
213.03943	1.4
223.14691	1.2
224.15559	1.8
225.16425	2.7
231.04982	7.2
238.17111	1.4
248.10646	0.5
249.05916	1.3
251.17964	2.5
253.19472	100.0
254.19804	4.9
255.20999	2.4
269.18915	0.9
271.20538	8.4
283.24188	1.7
295.20724	0.9
361.21613	0.8
377.28391	0.6
395.29443	1.3
423.08380	0.5
440.91418	0.4
501.24738	0.9
519.25897	10.2
520.26544	0.9
617.36798	5.8
618.36731	0.7
633.97961	0.5
661.35681	42.8
662.36017	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	661.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01866	14.6
55.05502	3.0
57.03435	3.8
57.07026	2.1
59.14101	0.5
61.02914	2.5
65.03900	1.6
67.05497	20.2
68.99737	2.1
69.03419	18.0
69.07011	2.4
69.94982	0.5
70.06528	0.6
70.21799	2.3
71.04980	3.7
73.02900	4.0
77.42201	0.6
79.05487	6.4
81.03407	19.8
81.07042	11.5
83.04933	1.2
83.08564	1.3
85.02894	28.4
85.06537	5.1
87.00818	12.4
87.04414	0.7
91.03899	0.7
91.05473	8.3
93.06449	0.5
93.07029	11.2
95.04956	12.5
95.08598	6.9
97.02881	11.5
97.06522	0.7
99.04441	6.7
103.05428	0.8
105.01239	0.7
105.01850	9.2
105.07014	12.9
107.07926	0.8
107.08576	11.5
109.02863	19.8
109.06512	1.0
109.10136	10.0
111.04430	0.5
111.08068	0.8
113.05988	10.5
115.03853	0.8
115.05374	0.7
117.01862	2.9
117.06993	5.0
119.07770	0.5
119.08565	7.3
120.08054	0.8
120.92838	0.5
121.10130	15.3
123.04369	0.6
123.11698	2.9
125.09505	0.5
127.03896	27.7
128.06184	1.9
129.01814	3.2
129.06978	6.6
130.07758	0.8
131.08545	11.7
133.09181	0.7
133.10110	12.4
135.11665	4.1
137.05957	0.8
137.09552	0.8
139.03806	1.0
140.07053	0.5
141.06944	2.4
142.07744	5.9
143.08551	10.1
144.09367	0.5
145.04941	8.9
145.10112	14.9
146.05986	0.8
147.02835	1.7
147.11665	19.2
148.07576	0.6
148.11955	0.7
149.09593	0.9
149.13191	3.4
151.03848	1.6
154.07707	0.5
155.08557	4.4
157.10103	38.0
158.10400	0.6
159.02867	9.2
159.11678	18.8
161.13235	3.4
164.07106	0.7
168.09419	1.0
169.10100	4.3
171.11671	9.2
173.05754	0.5
173.13232	5.3
175.11183	0.9
177.03889	0.8
181.10059	0.9
182.10838	0.9
183.11682	4.7
184.07329	1.0
185.13228	3.7
187.14780	1.0
189.04010	0.7
195.11685	1.4
196.12483	0.6
197.13200	8.2
199.14804	2.1
201.16362	0.9
209.13141	1.1
211.08638	0.7
211.14789	5.4
213.03893	1.7
213.16472	0.9
223.14745	1.0
224.15552	1.5
225.10193	1.1
225.16342	3.0
227.11720	0.7
231.04929	6.0
238.17186	1.8
239.11801	1.0
249.06076	1.3
251.17969	3.2
253.19481	100.0
254.19841	3.9
255.21022	3.5
265.19611	0.8
267.11295	1.1
267.21033	0.7
269.19003	0.8
271.20520	9.7
281.22510	0.6
283.24155	2.4
285.12250	0.8
295.20544	1.1
313.11761	3.3
313.21619	0.8
341.11288	1.2
373.13873	6.4
374.14307	0.7
377.28244	1.7
395.29416	2.3
501.25128	1.5
519.25775	12.9
520.26184	0.6
538.21661	0.7
567.05182	0.6
611.24115	0.7
617.36633	6.7
629.25757	1.5
631.35217	0.7
643.35236	1.1
661.35815	43.2
662.35907	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01855	6.9
55.05505	16.3
57.03430	24.3
57.07058	3.0
61.02908	5.5
64.38857	1.7
65.00399	1.6
65.03924	3.5
67.05495	52.8
69.03429	10.6
69.07061	16.0
71.01333	4.4
71.04974	5.0
71.11448	4.9
73.02898	3.6
79.05485	46.0
81.03411	60.6
81.07049	34.5
83.04971	18.0
83.08607	14.2
85.02895	27.5
85.06516	4.6
86.09700	3.6
87.00826	5.7
91.05471	36.5
93.07034	50.5
95.04956	24.6
95.08584	14.0
97.02895	8.2
97.06532	14.0
97.10170	14.4
98.21184	2.1
99.08058	2.0
105.01845	3.2
105.07017	23.5
107.04929	7.9
107.08574	34.1
109.02858	5.2
109.06486	6.5
109.10156	11.2
111.04411	3.7
111.08076	10.2
113.06013	5.2
117.06995	7.4
119.08562	18.3
121.06467	2.2
121.10133	15.8
123.11674	3.1
124.99916	1.8
125.09640	3.6
127.03920	10.1
128.04250	2.2
129.06932	8.8
130.53983	1.7
131.08562	11.9
133.06451	2.5
133.10115	14.8
134.10439	1.8
135.10641	2.4
135.11670	41.9
137.09589	3.5
142.07747	2.8
143.08565	3.5
144.08890	2.5
145.10101	11.3
147.07965	1.9
147.11678	14.4
148.12047	3.0
149.09615	5.3
155.08586	1.9
157.10124	18.4
158.10390	3.8
159.02858	2.3
159.11685	4.4
163.11176	7.7
165.12732	3.6
171.11607	3.2
173.13199	3.3
175.11162	11.6
181.12202	12.0
183.49208	1.7
184.07362	11.8
193.12219	33.7
203.14417	1.9
211.13246	41.2
211.15128	2.8
228.51804	1.5
241.13361	2.1
253.19525	15.2
254.19789	17.1
255.15895	87.9
267.15897	24.4
285.16946	24.9
416.18506	1.9
430.15958	4.0
431.16614	4.0
432.17422	7.1
441.14807	2.1
443.17484	2.3
444.17868	2.7
445.18405	4.1
447.27371	46.8
448.27826	2.4
453.15308	2.0
454.15802	3.2
455.16238	2.1
457.14508	3.5
458.14960	9.7
459.15482	5.1
465.28415	100.0
469.18549	8.6
470.18835	6.8
472.16849	5.0
473.17273	8.9
482.15042	2.9
483.15878	2.9
484.16266	3.2
496.17172	3.3
497.17422	9.8
498.18213	13.0
499.18613	2.5
500.16299	4.0
501.16754	2.5
510.15881	3.0
511.19571	2.5
514.18286	4.9
515.18909	5.4
516.19110	2.3
520.26111	2.9
525.17017	7.5
526.16486	3.2
529.20148	4.2
530.20520	2.4
531.21490	2.9
549.51581	1.9
557.19464	5.2
558.20239	2.3
570.20123	5.3
588.21313	3.5
591.23962	3.4
598.20050	11.3
602.22345	2.3
619.23352	17.7
620.23987	16.3
621.23981	2.8
630.22681	67.0
631.22241	11.4
648.23511	1.9
662.24982	61.3
662.35699	13.9
663.24512	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	662.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	32.2
57.03418	10.5
57.07060	5.3
65.03916	6.6
67.05496	64.5
67.36472	4.5
69.07057	32.0
76.55491	4.7
79.05479	54.8
81.07045	52.7
83.04975	9.1
83.08598	21.3
87.04460	27.0
91.05457	45.1
93.07024	50.1
95.04945	8.2
95.08593	39.4
97.06499	6.5
97.10139	16.8
98.21479	9.8
105.07021	44.0
107.08585	38.0
109.06461	6.6
109.10100	23.3
111.08125	6.1
117.07001	14.5
119.08574	28.8
121.10127	16.0
123.11658	9.6
125.09605	17.7
131.08517	17.4
133.10123	16.8
135.11694	13.4
143.08510	4.7
145.10126	24.9
147.11674	15.9
149.09535	5.0
149.13252	6.5
151.11183	5.3
157.10123	5.4
159.11626	14.5
161.13272	5.7
171.11723	6.8
173.13220	11.0
185.13239	8.5
189.11182	14.9
201.16391	7.3
212.35075	5.7
227.12718	53.5
257.18958	21.6
261.22095	19.7
275.20010	62.3
277.21555	4.8
333.24243	5.4
335.25763	100.0
336.26297	5.2
349.23697	53.5
431.31476	8.7
505.35236	27.5
529.38110	7.5
546.41809	8.3
609.45197	46.0
627.46216	9.5
662.45581	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	663.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
61.02907	0.6
62.52464	0.3
65.03932	0.4
66.98773	0.4
67.05500	1.7
70.06590	0.4
71.04981	0.5
71.70251	0.5
73.02913	0.3
79.05470	0.8
81.03413	0.8
81.07047	1.0
83.00352	0.4
85.02914	0.8
91.05465	0.9
93.07036	1.0
95.04950	0.7
95.08629	0.7
97.02872	0.5
105.07025	1.0
107.08578	0.7
109.06491	0.4
109.10185	0.8
117.07037	0.5
119.08589	0.6
119.53400	0.4
121.10128	0.7
123.11746	0.4
125.63565	0.4
127.03918	0.5
133.10141	0.4
145.10091	0.8
147.11685	0.4
149.02339	0.7
159.11731	0.5
163.03935	0.4
184.07271	0.4
185.04222	0.4
191.56540	0.4
243.08430	0.9
255.21136	0.4
273.14758	0.5
390.88443	0.5
413.17929	0.6
415.24936	0.5
431.16022	0.6
445.25601	2.4
446.18176	0.9
458.15097	0.5
459.15289	1.4
473.17065	1.0
474.17758	1.9
475.18375	0.5
498.17908	0.4
499.17932	0.6
501.27802	2.5
517.19800	0.5
533.22675	0.5
560.22089	0.4
561.21899	4.7
620.23950	0.8
621.24219	7.1
622.24127	0.9
631.22504	1.5
635.34363	0.8
663.33557	100.0
664.24323	0.7
664.33929	6.9
694.45654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.6
57.03429	11.8
57.06797	1.6
57.07067	23.9
59.04976	3.3
61.02913	3.5
63.18358	1.0
67.01969	1.1
67.05494	59.3
69.07069	6.6
70.34725	4.9
71.04965	2.8
71.08620	15.0
79.05459	1.4
81.07043	15.3
83.08602	9.8
85.02895	4.1
85.06520	1.3
85.10167	8.1
87.77190	1.3
91.03945	2.0
91.05466	3.8
93.06994	1.5
95.08598	12.7
97.02863	2.5
97.10156	1.8
98.15936	0.9
98.21407	1.0
103.07562	1.2
107.08618	1.6
109.10138	62.8
111.08071	2.5
117.44405	0.9
119.08545	4.3
123.11702	2.0
137.09599	3.7
141.84247	1.0
152.26662	1.1
155.10638	4.1
171.79547	1.0
171.81078	1.1
173.11710	19.7
229.14322	100.0
230.14745	3.6
239.23662	2.2
313.27301	79.4
314.27637	2.7
317.29367	1.0
317.57272	1.0
368.10629	1.3
378.05420	1.2
467.37241	69.5
468.37427	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	665.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
63.23526	1.0
67.05500	2.1
68.41649	1.0
69.07047	5.7
69.51889	9.8
70.06568	1.2
71.48923	0.9
79.05501	1.4
80.70786	0.9
91.05492	1.1
93.51780	1.0
94.06555	9.1
95.04934	2.5
98.21471	2.1
106.06512	1.1
108.08110	2.1
110.06013	1.9
112.07589	1.5
116.04948	1.3
118.06490	1.8
120.08095	2.1
121.05215	1.0
122.05999	28.1
122.06828	2.3
123.04406	1.6
124.07570	2.0
134.05952	1.7
135.04414	1.2
138.09082	1.5
140.07034	47.4
144.04417	3.7
146.05968	16.8
146.09659	1.6
147.06795	1.2
148.07513	5.0
152.07045	1.6
160.07469	1.1
162.05493	3.2
164.07048	2.4
166.08606	4.1
167.07042	2.6
172.03894	22.7
173.04623	2.8
174.05484	22.9
176.07033	16.3
187.12427	1.2
188.07027	1.4
190.04985	6.0
190.08504	1.4
190.47285	1.0
191.05794	3.2
192.06485	1.7
197.10704	2.2
198.09232	1.3
199.08618	2.5
203.08269	1.3
204.06522	39.6
205.07022	1.1
206.08084	17.6
211.08710	3.3
211.11940	1.1
213.10231	3.7
215.11742	3.6
215.54018	1.0
216.10182	1.3
223.08687	1.5
225.10184	4.3
226.10867	1.4
227.08145	1.1
227.11742	2.4
229.09819	1.3
235.08618	1.4
235.12256	1.7
236.09393	1.5
236.12831	1.2
237.10228	4.8
237.13760	1.2
238.10941	1.9
239.11758	3.1
241.09683	4.8
243.11243	16.9
245.09190	2.4
247.08772	1.9
248.09476	4.9
249.10184	13.9
250.10905	2.7
251.11783	5.6
253.09641	1.6
253.13226	1.2
255.11247	1.9
257.12857	1.3
261.10135	3.5
261.12500	2.1
262.10956	3.8
263.11804	67.0
264.09000	1.7
264.12320	7.1
265.09787	5.9
265.13239	6.4
266.10498	1.4
266.13455	1.4
267.11243	3.2
267.13885	1.2
269.09134	1.8
270.09796	1.2
271.10818	2.6
272.11493	1.5
273.12094	2.2
277.09723	16.9
278.10275	3.5
279.11221	24.6
280.11957	3.4
281.09232	1.5
281.12735	2.3
283.10812	8.5
284.11459	2.3
285.08969	1.9
285.12259	21.3
287.10272	5.8
287.13849	3.7
290.10471	4.3
291.11243	28.7
291.14297	2.0
292.11984	9.1
293.12704	2.4
295.10739	16.3
296.11545	2.2
297.12338	3.4
299.10318	4.1
299.13834	1.7
301.11929	2.3
302.13046	2.1
303.07663	3.0
303.13342	40.8
304.14005	2.8
307.10709	4.1
308.11563	2.7
309.12262	34.7
310.12943	4.8
311.10172	2.9
311.13852	4.3
313.11752	44.0
314.12833	1.8
314.16452	1.9
315.13467	2.3
316.10867	2.0
316.14517	2.6
317.15173	1.9
318.09943	4.9
318.15884	3.3
319.10516	1.7
319.16745	2.4
323.13910	46.0
324.14389	2.5
325.11639	2.4
328.14377	1.3
329.11630	2.3
330.12378	4.3
330.16098	1.5
331.12888	15.7
332.13818	2.7
332.17520	2.5
335.10229	2.0
336.10995	39.1
337.11780	18.7
338.12405	2.3
341.15118	2.1
342.12381	1.7
343.12976	1.9
344.13925	3.5
345.14420	25.9
346.15436	6.9
347.16202	5.1
354.12158	2.5
355.13019	5.6
356.13733	2.8
357.14960	1.5
358.11612	1.9
358.15503	4.8
359.12811	1.5
360.16983	4.7
363.15344	2.3
367.12839	22.3
368.13635	33.8
369.14438	42.5
370.15314	12.8
371.12839	4.4
372.13235	9.9
373.14026	3.9
374.14838	6.6
381.10577	1.4
384.13113	1.8
385.14291	3.1
386.14954	13.7
387.15613	9.7
388.16663	8.4
389.17337	1.3
390.14233	1.6
396.13425	1.4
398.14853	2.9
401.13586	3.0
402.13989	2.6
402.18616	1.6
403.15079	1.8
404.15887	4.0
405.16855	3.8
406.17499	6.9
411.41922	1.2
414.14273	10.4
415.15213	18.1
416.15955	29.1
417.15894	3.0
418.17679	2.2
428.16348	1.4
429.16913	1.4
430.17590	7.5
432.15405	3.0
433.16257	6.7
434.16946	7.6
435.17172	1.5
435.37640	1.2
446.17111	8.2
447.17770	3.7
448.18472	4.3
450.20303	2.1
456.15472	5.5
457.15829	2.4
458.17282	2.5
460.14783	1.6
474.16510	35.5
475.17291	17.3
476.18085	18.2
477.18307	1.6
478.19580	14.7
489.18558	3.0
493.18320	5.0
494.19211	4.1
506.19006	6.3
507.20004	2.6
508.20737	79.0
509.21069	4.4
510.22339	28.8
511.22519	2.1
513.14746	1.5
524.19946	2.3
526.21655	5.2
571.25586	1.9
573.23700	5.7
597.23199	9.6
615.24390	100.0
616.24506	7.5
629.25482	2.1
633.25061	4.4
647.26971	5.2
665.28943	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22264	0.7
59.42406	0.7
65.03922	0.8
67.05483	2.0
67.37315	0.7
69.03406	1.0
69.07046	5.1
69.57154	6.5
70.06579	1.1
71.04980	1.2
75.05592	0.6
79.05481	0.8
80.05008	1.0
81.03429	1.1
81.07062	1.2
83.04954	0.8
84.08138	1.5
85.02900	1.2
91.05460	1.0
93.07028	0.8
94.06546	6.9
95.04963	3.0
97.02917	1.1
98.21429	1.2
108.08125	2.1
112.07614	1.7
116.04977	1.2
118.06484	0.9
120.08080	1.1
122.06023	21.8
123.04420	1.5
124.07532	1.0
129.05476	1.2
134.06023	2.1
136.07552	1.1
137.09586	0.8
140.07040	32.5
143.08530	1.0
144.04431	1.9
146.05975	12.5
148.07574	3.1
152.07010	1.9
160.07594	1.0
162.05574	2.1
163.03836	0.8
163.06236	1.0
166.08609	1.6
167.07053	2.9
172.03928	15.5
173.04684	2.4
174.05482	17.7
175.05986	1.1
176.07065	9.1
180.21550	0.8
187.12236	0.8
188.07062	1.0
190.03477	0.9
190.04964	4.1
191.05786	2.6
192.06541	2.9
197.10707	1.0
198.09273	1.1
199.08705	2.3
204.06552	27.5
206.08112	9.8
211.08676	2.6
213.10217	3.5
215.11842	3.5
216.10303	0.9
224.09372	1.0
225.10196	4.5
226.08701	1.4
226.10951	1.7
227.11752	0.9
228.10202	0.8
229.09753	1.4
237.10262	2.1
238.10938	1.4
239.07985	1.0
239.11769	2.4
241.09673	2.5
243.11250	12.9
249.10170	1.5
250.10995	1.0
251.11812	2.3
253.09715	1.0
255.11388	1.9
256.11963	1.3
257.09305	0.8
257.12939	1.6
259.10776	1.4
260.11322	1.1
261.12427	2.0
265.09607	3.9
266.10410	1.5
267.11337	3.1
269.09256	2.6
271.05997	3.1
271.10864	2.3
278.10593	1.1
279.11285	2.5
280.11911	1.4
283.10712	6.5
284.11465	1.7
285.12308	16.6
287.10312	4.0
287.13922	2.5
288.11453	0.8
290.12811	0.9
295.10724	1.5
296.11499	1.0
297.12424	1.0
299.10336	3.6
299.13800	1.8
300.11026	1.4
301.11731	3.9
302.12769	2.3
303.13361	32.3
304.14307	2.7
305.09201	1.0
309.12335	1.4
311.10315	1.2
311.13892	1.2
313.11777	34.1
314.12631	1.5
316.10803	2.0
316.14621	2.0
317.11621	1.2
318.15823	3.7
319.16833	2.1
323.10239	1.5
324.11096	1.1
325.12021	1.8
328.14572	1.4
329.11676	1.5
330.12375	2.7
330.16098	0.9
331.12976	12.6
332.13980	1.6
332.17545	1.5
337.11969	1.3
339.13388	1.9
342.12454	1.7
343.13715	1.4
344.13968	3.5
344.17715	1.0
345.14465	18.2
346.15573	4.3
347.16330	3.1
348.17084	1.1
354.12369	1.0
355.13141	1.0
356.13950	1.7
357.14804	1.4
358.11865	2.8
358.15573	2.5
359.12656	1.7
359.16870	0.9
360.17273	4.2
363.15524	1.7
370.11783	2.9
370.15634	2.4
371.12653	2.6
372.13284	6.4
372.17346	1.1
373.13977	5.7
374.14856	5.4
378.18274	1.6
379.18863	1.0
384.13141	1.6
384.17313	1.5
385.14227	1.6
386.15030	11.0
387.15726	9.1
388.16556	6.0
390.14111	1.0
390.18451	1.0
396.13388	1.0
398.14972	2.3
399.15891	3.8
400.12579	1.5
402.14392	2.4
402.18649	2.1
404.16022	5.1
405.16940	2.8
406.17648	7.4
414.14429	8.8
415.15210	18.5
415.20343	1.5
416.16040	21.1
417.15872	3.2
418.17917	1.6
428.16122	2.9
429.16690	2.0
430.17651	6.4
432.15579	3.2
433.16190	4.5
434.17123	5.6
446.17197	7.9
447.17862	2.9
456.15500	5.0
457.15805	1.7
458.16843	1.4
460.14780	1.7
474.16553	31.1
475.17334	17.8
476.18152	8.9
477.18280	1.1
489.18686	1.2
506.19104	7.1
507.19843	3.6
538.21973	2.0
569.24408	0.9
571.25061	1.5
573.23138	2.9
597.23370	8.1
615.24414	100.0
616.24744	7.8
633.25421	1.0
647.26959	4.5
665.30261	2.3
665.49585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05495	1.9
56.56376	0.6
57.03425	1.4
57.07056	0.7
61.02924	4.7
67.05497	7.5
69.03429	3.0
69.07060	2.0
69.46224	6.0
70.06583	1.0
71.04991	1.0
73.02910	3.9
73.80551	0.6
75.83655	0.8
78.38889	0.6
79.05495	4.3
81.03427	3.2
81.07039	7.1
83.04964	1.5
83.08592	1.5
85.02894	5.2
85.06544	0.9
91.03949	3.3
91.05465	3.5
93.07028	5.6
95.04958	1.7
95.08608	3.6
97.02874	4.4
97.06580	0.8
99.04445	1.1
101.02369	1.6
102.64450	0.6
105.07009	2.4
107.08572	3.7
109.02878	1.2
109.06496	0.7
109.10136	2.2
111.04436	0.6
111.08055	1.2
117.07013	2.1
119.08588	1.6
121.06525	0.8
121.10146	2.0
123.11685	0.9
127.03910	1.6
128.91975	0.7
131.08606	1.7
133.10130	1.7
135.08052	0.8
135.11688	1.1
145.04964	0.8
145.10069	1.1
149.02332	2.8
149.09590	0.8
149.13232	2.0
159.11720	1.7
177.12801	0.7
193.05020	1.8
195.13805	1.7
235.13115	2.1
237.13295	0.6
243.08490	1.7
256.26392	1.1
269.17633	2.0
275.19952	0.8
281.74872	0.6
291.15735	0.7
453.20969	17.5
454.21545	0.9
503.33392	1.0
513.56104	0.6
665.34979	100.0
666.35431	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	665.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01863	0.4
55.05499	1.4
57.03419	1.6
61.02915	4.0
67.05488	5.1
69.03411	2.3
69.07053	1.5
71.04969	1.0
71.25250	0.5
71.25573	0.4
71.99876	0.3
73.02915	3.5
76.49529	0.3
79.05475	3.3
81.03403	2.1
81.07037	6.5
83.04967	1.0
83.08611	1.3
85.02879	4.1
91.03938	2.9
91.05476	2.6
93.07021	3.6
93.60954	0.3
95.04960	0.8
95.08605	2.2
95.09109	0.3
97.02875	4.0
97.06521	1.2
99.04453	0.6
101.02374	1.1
101.06059	0.3
105.07004	1.4
107.04937	0.7
107.08559	2.1
109.02853	1.2
109.10136	1.5
111.08047	0.6
115.03971	0.4
117.07019	0.9
119.08582	0.9
121.10129	1.6
127.03918	1.7
131.08565	1.1
133.10110	1.7
135.08063	0.4
135.11703	0.9
145.04971	0.6
145.10126	0.4
147.11665	0.5
149.09625	0.4
149.13271	1.7
159.11679	1.5
177.12782	0.8
185.02663	0.4
185.04214	0.5
195.13805	1.0
229.52708	0.3
235.13072	1.9
243.08392	2.2
269.17520	1.5
275.20035	0.8
291.15729	0.7
297.16852	0.4
310.33847	0.4
373.18936	0.4
431.31049	0.4
453.20874	17.0
454.21487	0.7
503.34033	0.4
665.34967	100.0
666.35065	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	665.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
55.01869	10.8
55.05507	27.3
55.90959	2.2
57.03431	10.8
65.03920	6.0
67.05494	100.0
68.35094	2.0
69.03426	20.3
69.07060	19.3
71.04984	10.5
71.69469	2.8
71.69848	2.5
79.05478	39.0
80.83397	1.9
81.03405	40.2
81.06603	3.8
81.07047	50.6
83.04964	17.0
83.08621	13.2
85.02892	8.8
85.06534	5.3
89.72411	1.8
91.03945	2.4
91.05466	34.0
93.07028	30.1
95.04976	10.4
95.08589	28.5
97.02882	16.7
97.06527	12.5
97.10148	9.8
99.04417	6.3
105.07010	32.6
107.04979	10.3
107.08586	24.3
108.28593	2.2
109.02859	14.2
109.06506	7.0
109.10139	53.9
111.04420	8.2
111.08062	2.8
115.05348	2.7
117.07008	11.3
119.08565	31.2
119.59993	2.1
121.06492	4.2
121.10143	12.7
123.04425	2.4
123.08035	4.3
123.11685	5.5
125.09602	10.2
127.03864	8.6
129.05452	5.6
129.06972	6.7
131.08537	15.3
133.06502	2.6
133.10117	20.0
135.08028	6.9
135.11658	5.9
137.05948	2.6
137.09593	7.4
141.07011	2.4
142.07732	2.4
142.19481	2.0
143.08563	5.1
145.06456	3.2
145.10106	14.9
147.08078	4.0
147.11693	12.1
149.09625	9.3
149.13245	3.3
151.11150	2.6
155.08481	3.6
155.10693	3.1
157.10088	6.9
159.11688	11.1
161.09590	2.8
161.13258	6.6
163.11134	6.3
169.10120	5.0
171.11636	3.8
173.04390	5.6
173.09569	2.6
173.11710	14.5
173.13246	5.3
175.11195	2.8
187.11203	3.0
187.14751	2.7
189.11201	6.0
197.13322	3.5
203.01012	2.0
211.13083	2.7
215.14174	2.6
227.12788	5.8
229.14308	26.1
229.19398	3.1
247.20552	3.7
257.19058	10.1
275.20059	48.9
293.21112	6.3
299.14935	4.4
340.70251	2.0
349.23749	17.3
354.01508	2.0
355.17322	3.6
356.34811	2.1
373.18488	9.1
383.22031	2.6
393.27405	2.3
419.24234	2.6
453.20853	4.3
485.32581	2.8
493.27771	2.4
503.33557	30.3
629.36646	2.9
647.37958	14.7
665.35010	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	667.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.9
67.05476	2.8
68.05821	0.9
69.03400	2.1
69.07045	2.5
69.65527	6.3
70.06573	3.1
71.04970	0.9
72.08154	0.9
78.78155	0.8
79.05478	1.6
81.03387	0.9
81.07023	3.0
83.04975	0.8
85.02892	2.7
86.09670	1.0
90.62123	0.8
91.05473	3.3
93.07017	3.2
94.06542	1.3
95.04945	1.2
95.08585	2.2
96.08916	0.7
97.02892	1.5
97.27736	0.7
98.21484	1.4
103.42908	0.7
105.07014	2.8
107.04935	1.9
107.08582	2.5
109.10139	2.1
110.06008	2.2
111.08047	0.8
112.74284	0.8
119.08537	2.0
120.08096	1.2
121.10125	1.5
122.06009	5.1
123.04410	1.4
123.11716	1.0
124.07537	1.0
127.03831	1.8
132.99263	0.8
135.11688	1.0
136.07559	1.5
137.05942	1.1
139.11276	1.1
140.07050	2.2
145.06441	0.9
146.05998	1.9
147.11668	1.1
148.07469	1.8
149.09621	1.2
152.07083	1.1
160.07491	1.6
164.07108	1.3
166.08607	1.3
172.03879	0.8
174.05464	1.6
199.08646	1.9
201.10149	6.2
203.17879	1.0
204.06425	1.9
211.08633	2.1
212.06902	0.9
213.10236	2.1
215.11732	1.2
221.10843	0.9
223.12297	1.3
225.10172	3.2
226.10913	2.1
227.08080	1.8
231.04787	0.8
235.08870	1.0
235.12187	1.1
236.09297	1.5
237.10146	3.1
238.11028	0.9
239.11740	3.3
240.12331	0.9
243.11325	1.2
249.10248	7.2
250.10823	3.7
251.11768	8.7
252.08919	0.9
252.12456	1.9
253.09558	1.2
253.13310	3.4
260.13037	0.8
261.12390	5.1
263.11734	5.5
264.12494	2.1
265.09671	2.1
265.13293	5.3
266.14001	2.7
267.11301	2.2
267.14896	1.2
273.13907	0.9
277.09717	2.0
278.10257	1.3
279.11240	4.1
279.13889	1.0
281.12839	3.9
283.10706	2.8
284.11508	1.2
284.16742	0.9
285.12250	1.8
289.13043	2.6
290.13831	0.8
291.11139	1.9
293.12573	1.2
295.10901	1.7
296.11441	3.6
297.12173	4.3
298.13214	1.3
299.14124	1.1
300.12198	1.0
301.13190	1.3
303.14468	1.2
304.14410	1.1
309.12354	5.7
310.13129	2.1
311.13846	5.2
312.14743	1.5
313.11884	2.2
314.16382	1.7
315.10959	1.1
315.14355	1.1
316.14493	1.9
317.12219	1.1
318.12408	2.3
318.15836	1.8
319.13412	1.0
323.10080	1.2
325.11942	2.9
328.14868	1.0
329.12396	1.2
331.13364	1.7
332.13800	2.4
333.14703	2.1
334.15561	1.2
337.11819	3.0
339.13406	1.7
343.14096	1.7
344.13791	1.1
345.14978	1.1
346.15234	1.8
348.16791	1.2
349.15030	1.0
355.13583	1.0
356.13986	1.2
357.14407	3.6
358.15479	1.0
359.16211	2.3
360.16949	3.4
361.14026	2.5
362.18918	1.2
369.14459	4.1
370.15335	3.5
371.16281	2.1
372.17285	1.1
373.15005	1.5
374.14569	1.6
378.17883	1.1
384.17023	2.2
386.18527	1.1
388.16434	8.8
389.14914	2.6
391.15988	0.9
392.15753	1.3
393.16943	0.9
401.22073	1.1
402.18237	1.5
403.16302	1.2
405.17511	1.1
406.17487	17.8
407.17526	1.0
416.16083	2.1
417.14322	1.3
422.18073	1.1
430.17743	5.5
431.17929	1.5
434.17203	7.5
448.18439	4.2
449.16861	7.2
450.19168	1.1
458.16580	1.2
466.19650	17.1
467.20398	1.9
476.18198	1.1
478.19330	1.6
494.19150	12.5
508.20459	1.7
510.22275	1.2
525.20306	2.1
526.21771	100.0
527.22070	7.8
547.25348	1.5
571.25146	4.4
575.24768	3.7
589.26080	2.3
590.24329	3.6
598.43793	0.8
599.24451	2.1
607.27734	4.3
617.25354	1.6
618.24890	1.3
635.26929	11.9
667.29510	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	667.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51838	1.7
53.03939	8.3
55.01854	5.1
55.05499	19.5
57.03430	11.5
57.07065	50.7
65.03920	2.5
67.05494	42.1
69.03416	25.9
69.07057	16.9
69.35033	15.4
69.35441	3.0
71.01335	1.9
71.04970	9.0
71.08620	35.2
76.36591	1.4
79.05477	22.7
81.03402	100.0
81.07040	49.9
81.76868	1.4
82.03735	1.8
82.07380	1.7
83.04961	15.4
83.08604	26.1
85.02900	16.3
85.06535	2.0
85.10152	22.0
91.05453	26.7
93.07042	19.3
95.04955	19.3
95.08582	40.8
97.02876	27.3
97.06516	4.7
97.10167	7.3
99.04436	8.2
103.05414	2.5
105.07005	19.4
107.04915	8.4
107.08559	9.5
107.75256	1.5
109.02849	20.3
109.06484	4.7
109.10138	15.7
111.04410	12.7
111.08071	6.8
113.05953	1.5
116.71016	1.5
117.07017	4.7
119.08556	14.5
121.06500	4.7
121.10112	8.4
123.04408	3.2
123.08147	1.6
123.11688	8.3
127.03894	18.3
129.06964	9.6
131.08548	9.2
133.06447	3.9
133.10097	7.9
135.11679	4.7
137.13211	2.7
143.08554	3.8
145.06467	2.1
145.10127	5.7
147.08023	2.3
147.11652	18.1
149.06026	1.6
149.09610	3.9
157.10107	9.7
163.11182	4.1
165.12717	9.4
167.08551	1.7
171.11728	2.1
173.04465	3.0
173.09607	1.7
175.11185	10.1
181.12198	3.3
185.13185	1.7
189.11221	1.8
191.10670	3.1
193.12209	31.5
193.14008	2.2
203.14165	1.6
209.11678	1.8
211.13254	55.5
212.13631	2.5
217.12366	1.7
227.12755	5.2
229.14403	3.3
235.13312	4.8
237.12778	2.8
239.23686	9.5
249.14905	2.6
259.13223	2.1
267.15903	14.3
273.14850	4.5
285.16864	3.7
289.14322	1.6
301.14380	5.2
311.25992	1.9
313.27280	44.2
314.27734	2.5
337.16382	7.6
355.17441	11.4
383.27893	4.2
411.20169	13.0
505.38876	4.1
523.39862	16.1
649.42883	3.4
667.44012	90.2
668.44189	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	667.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.2
55.01839	3.0
55.05504	20.7
57.03429	11.1
57.06794	4.2
57.07063	58.7
59.89065	2.2
67.05490	43.9
69.03424	25.3
69.07053	20.1
70.68107	2.2
71.04980	8.5
71.08618	36.2
71.19386	2.1
71.69560	4.4
79.05474	21.6
80.78352	2.3
81.03405	100.0
81.07043	53.1
83.04955	18.7
83.08601	29.0
85.02895	19.8
85.10172	20.9
91.05450	29.4
93.07001	15.6
95.04942	21.9
95.08587	42.8
97.02873	24.0
97.06553	5.7
97.10157	11.8
99.04424	6.0
102.07538	2.4
104.69523	2.6
105.07008	20.5
107.04948	6.8
107.08572	10.4
109.02865	18.1
109.06506	6.0
109.10150	13.9
111.04421	14.3
111.08067	9.0
113.05984	3.0
119.08564	16.9
121.10141	10.7
123.11731	7.3
127.03881	18.1
129.06999	11.6
131.08577	9.7
133.06444	3.4
133.10135	9.2
137.13284	4.3
142.07799	4.5
145.06485	2.5
145.10167	3.7
147.11662	15.4
149.09622	6.1
153.12648	2.9
157.10081	11.9
159.11737	3.1
163.11237	6.3
165.12738	5.9
171.11871	3.1
173.04556	3.4
175.11198	10.2
175.36821	2.8
175.54536	2.4
181.12230	4.4
191.10637	4.6
193.12219	40.6
211.13263	57.8
225.64070	2.8
227.12823	7.7
229.14421	3.6
239.23714	9.7
243.10954	2.7
251.40079	2.5
255.13692	4.2
267.15894	9.2
285.16949	4.7
313.27325	32.2
337.16425	5.4
347.18884	3.2
355.17426	10.8
383.28180	2.9
393.19043	3.0
411.20319	7.5
455.41257	2.9
505.38910	5.6
523.40082	14.6
523.47284	3.3
649.42755	2.6
667.32410	4.5
667.44025	91.9
668.44220	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	668.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
53.53120	0.8
55.01859	1.8
55.05492	2.3
57.03429	6.1
61.02906	2.9
66.72816	0.7
67.05479	1.6
68.99780	1.3
69.03094	1.0
69.03422	11.3
69.07056	1.2
70.06568	1.6
71.01335	1.2
71.04981	31.5
71.05380	1.6
72.08087	0.9
73.02915	3.7
74.40719	0.7
79.05472	1.6
81.03403	11.0
81.07037	1.8
83.04966	8.7
85.02894	59.9
87.00818	9.0
93.07018	1.2
95.01266	0.8
95.04948	3.3
95.08582	1.5
97.02886	7.9
97.06525	1.3
98.21553	1.7
99.04440	4.5
101.05990	0.8
103.03876	1.9
105.01839	9.2
105.06970	1.1
107.04924	1.6
107.08548	0.8
109.02867	9.9
109.10146	0.9
111.04429	11.1
117.01790	0.8
119.08607	0.9
121.06520	1.0
121.10075	1.1
123.04414	1.1
123.11736	1.5
125.02338	1.6
127.03018	1.5
127.03899	19.3
129.01823	1.9
129.05447	13.4
131.08527	0.9
131.84103	0.7
133.10075	0.9
135.04381	1.3
139.03883	1.7
145.04938	4.2
146.08131	1.6
147.02876	2.2
147.06502	4.9
148.90477	0.8
151.03925	1.5
153.05467	1.2
159.02847	2.6
159.06499	1.1
163.03850	0.9
164.09175	4.8
165.05528	0.9
165.07011	1.8
167.08487	1.4
171.06453	0.9
177.05522	0.9
180.52773	0.7
181.04965	1.2
182.07211	1.7
189.03879	3.3
191.06987	1.2
193.04935	0.9
195.06435	1.2
195.08028	2.0
196.08800	1.1
197.09564	8.9
207.08038	1.0
208.08929	1.4
209.09676	1.0
210.06837	1.4
211.07552	1.9
211.11079	0.8
213.03911	3.7
213.07523	0.9
214.09821	0.7
224.08287	3.4
225.09053	11.6
226.09846	8.4
227.06985	1.5
230.99464	1.0
231.04968	4.1
231.08643	0.9
237.07423	4.0
239.10675	4.0
241.08568	1.2
242.09315	6.8
249.05904	0.7
250.09909	1.4
251.10545	1.5
253.08516	1.2
253.12128	2.5
255.08636	2.5
256.10941	3.6
257.11691	100.0
258.12067	3.4
263.10522	0.8
266.09241	2.2
267.10028	5.5
269.11703	4.9
273.05948	0.9
277.12253	1.2
281.11667	17.1
281.17435	0.9
282.12033	0.9
293.11673	1.6
295.13309	1.0
299.12750	9.4
305.11493	0.8
308.10477	1.1
309.11017	0.7
315.10599	1.2
319.13135	1.1
323.12738	12.2
341.08713	2.0
347.12781	4.8
349.14169	1.4
359.09610	2.3
365.13742	9.2
367.15378	3.1
514.57947	0.9
564.57751	0.9
571.73413	0.8
667.38782	1.5
668.39240	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05506	9.8
57.03200	1.2
57.03435	12.8
58.46585	1.3
59.04979	2.8
67.05492	66.7
69.03400	2.8
69.07044	4.0
70.06582	1.6
70.09875	1.2
71.04964	4.9
79.05489	8.6
81.03403	53.7
81.07045	17.4
82.07408	1.4
83.04958	3.7
83.08605	15.2
85.02869	4.0
85.06500	2.7
91.05463	14.8
93.07005	8.6
95.04963	14.6
95.08620	7.7
97.06546	1.8
97.10152	2.4
105.06975	9.4
107.04936	3.8
107.08543	4.8
109.06502	2.0
109.10140	67.3
110.10482	2.0
111.04447	1.5
111.08064	5.6
111.95008	1.6
117.06992	2.0
119.04920	3.1
119.08579	14.6
121.06512	1.6
121.10116	3.5
123.04440	2.4
123.08047	2.1
129.06958	4.7
131.08556	5.3
133.06493	1.7
133.10117	3.2
137.09589	3.6
145.10118	2.3
147.04373	2.0
147.11671	7.0
149.09578	3.5
155.10591	3.5
157.10097	5.8
163.11017	1.8
173.11726	18.3
175.11182	5.7
193.12225	19.1
205.12241	1.4
211.13258	1.6
229.14314	100.0
249.14899	1.7
267.15881	81.9
268.16190	3.2
329.21222	2.7
403.24615	7.9
421.25790	94.8
422.26221	4.6
463.27249	2.1
529.27710	1.7
668.32697	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	669.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49889	0.2
51.90471	0.2
57.50855	0.3
71.38097	0.3
74.02445	0.4
74.71188	0.3
91.05444	1.0
100.48808	0.2
102.18554	0.2
110.54197	0.3
111.30627	0.2
115.05431	0.9
117.05713	0.9
117.07004	1.4
118.06524	20.6
120.76536	0.3
130.06453	1.6
132.08061	5.3
135.04306	0.3
139.03926	0.3
142.06509	2.1
143.07286	2.2
144.08064	14.4
145.06509	0.3
146.05981	64.2
147.06384	1.2
149.18918	0.3
151.03886	0.3
159.09149	5.9
160.07570	0.9
163.03900	0.6
167.23518	0.3
170.05980	5.5
188.07033	100.0
189.07373	1.8
205.09691	40.0
206.10057	0.7
282.85562	0.3
414.95645	0.3
452.63397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.4
55.05514	30.4
57.03414	8.2
57.75149	6.3
59.09102	5.6
59.96198	5.9
63.69590	5.2
65.03951	5.5
67.05489	98.1
69.03413	13.0
69.07065	13.1
70.10714	5.4
71.04972	20.5
71.70406	8.0
71.70774	6.3
74.63676	6.2
79.05480	84.8
81.03413	37.2
81.07043	93.8
83.04958	14.7
83.08608	15.5
85.02898	6.3
85.06532	5.6
88.53622	5.7
91.05463	67.5
93.07031	70.2
94.89040	5.7
95.04954	32.1
95.08596	45.7
97.02895	11.4
97.06521	13.1
105.07005	54.2
107.04916	16.2
107.08573	30.2
109.02864	13.9
109.06474	7.0
109.10160	13.1
112.54354	5.7
117.07005	14.4
119.08562	30.2
121.10168	14.6
123.11667	9.5
127.03843	7.0
129.05521	9.7
129.06995	26.5
131.08560	16.7
133.06474	7.6
133.10138	26.6
135.11696	7.6
145.10098	15.5
147.11674	22.2
149.13245	11.5
150.88583	6.3
151.11128	8.1
155.08533	9.1
157.10114	6.8
159.11649	6.5
161.13234	6.7
165.15732	5.8
169.09990	6.0
171.11674	15.3
173.04439	9.9
207.13831	22.2
225.14841	8.1
281.17471	37.2
449.28998	48.6
463.30066	7.4
475.30563	100.0
476.31018	9.5
528.37494	14.9
619.34344	7.8
649.78729	7.3
651.37494	22.8
669.40045	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	672.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01861	8.0
55.05487	2.0
57.03418	2.1
58.14065	0.7
59.01155	0.8
59.04987	1.0
60.04523	0.8
61.02909	1.0
62.94283	0.7
67.05136	1.0
67.05496	16.6
69.03423	9.0
69.07071	1.6
69.46435	5.1
69.46847	2.0
70.06574	2.6
71.04984	5.6
72.08163	0.9
73.02890	3.0
79.05481	2.1
81.03409	11.2
81.07042	12.9
83.01278	1.3
83.04964	0.9
84.04482	1.1
84.08129	2.0
85.02888	18.8
86.09687	0.7
87.00808	7.1
91.03941	1.5
91.05449	2.3
93.07045	4.0
95.04951	4.8
95.08588	7.4
97.02884	10.8
99.04425	3.6
105.01865	5.4
107.04964	0.9
107.08560	2.3
109.02856	10.7
109.06512	2.3
109.10139	55.9
111.00791	7.5
111.04421	1.1
112.45754	0.7
115.03875	0.7
117.01820	2.4
119.08575	3.4
121.10103	1.5
125.05949	2.2
126.05532	0.8
127.03893	16.1
129.01808	3.1
133.05063	0.7
135.04317	0.8
137.05971	1.7
137.09593	100.0
138.09985	0.9
139.03928	0.8
143.03372	2.4
145.04944	4.5
147.02800	1.2
147.04346	1.0
147.07939	0.9
155.10631	7.7
159.02896	5.9
163.03938	1.3
165.09091	64.0
171.02843	10.5
183.10159	5.4
189.03960	3.1
201.11186	16.2
213.03871	1.7
219.12311	0.9
231.04976	3.0
287.05551	1.2
301.15552	0.7
317.06543	1.1
325.12662	1.1
353.12262	31.8
371.13315	90.9
372.13705	2.0
389.14328	19.4
407.11258	1.3
418.52115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26590	0.7
53.03935	3.9
54.42295	0.8
55.01858	4.9
57.03431	5.0
59.00068	0.6
61.02924	3.7
65.03910	0.8
67.05480	1.7
68.99782	4.5
69.03419	16.7
69.07070	0.7
70.06560	2.7
70.10738	2.7
70.96773	0.6
71.04963	2.8
73.02915	6.5
77.69271	0.7
79.05493	3.8
81.03403	16.6
81.07027	3.1
83.01302	1.0
83.04962	1.0
84.08123	1.6
85.02888	56.8
86.09699	1.2
87.00331	1.3
87.00816	17.9
87.04412	0.7
91.03928	2.1
91.05468	8.4
93.07022	4.7
95.04939	2.6
97.02877	20.0
97.12575	0.6
98.21456	0.8
99.04440	8.6
103.03906	2.9
103.05444	4.7
105.01154	0.9
105.01849	15.9
105.06337	1.2
105.07014	18.6
106.02866	0.7
107.04929	4.8
107.08564	1.6
109.02863	17.7
109.06505	5.1
109.10122	2.0
111.04413	1.2
115.03883	0.7
115.05419	0.8
117.01802	2.9
119.04916	2.7
119.08537	0.7
120.05695	1.8
121.06484	56.5
123.04398	8.9
123.08022	2.5
123.11662	0.7
124.03915	1.3
127.03899	30.8
129.01834	4.8
131.04939	1.0
133.06465	6.4
133.10126	0.9
135.08029	82.9
136.08385	1.3
137.05949	56.0
137.09549	2.5
139.03896	0.9
139.07495	0.8
145.04924	13.4
145.06445	2.1
147.02890	3.1
147.04393	8.0
147.08076	1.5
149.05992	0.8
149.09512	0.6
151.03964	0.8
151.07515	10.5
153.01646	0.9
153.05452	1.3
155.10538	1.0
159.02876	9.7
159.08066	1.8
161.05957	26.7
161.09525	0.8
162.06279	1.2
163.03961	1.0
163.07506	1.4
165.05499	1.8
165.09123	2.2
171.02882	0.8
173.05943	1.8
174.06760	1.0
175.07509	4.8
179.07085	1.8
180.08643	0.8
185.09689	0.8
187.07471	1.5
189.03918	6.2
189.05478	2.5
201.05545	0.8
201.09117	0.9
203.06943	3.2
211.07512	1.2
213.03889	1.6
213.09082	1.6
227.07018	0.8
227.10619	2.1
229.08461	0.9
231.04941	4.6
237.08966	0.7
239.10628	2.8
241.08606	0.8
245.11693	74.8
246.12039	2.1
249.05995	1.6
251.10820	1.1
255.10095	4.2
257.11676	1.6
265.12332	1.7
267.10190	1.6
269.11682	100.0
270.12009	2.4
279.10101	2.6
281.11670	5.6
283.13309	1.2
287.12735	47.4
288.13159	0.9
293.11728	3.6
295.13290	0.9
303.04977	1.2
304.05411	0.9
307.13217	2.4
309.11340	1.2
311.12732	36.4
312.13196	1.1
317.06470	2.2
317.11490	1.4
335.12735	21.0
336.13010	0.9
353.13776	25.8
354.14285	0.8
371.13852	2.0
395.14926	0.9
421.12689	1.4
439.13721	5.0
457.14740	4.0
475.15475	0.8
493.17520	0.8
510.18802	1.5
622.23724	0.8
668.36346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01859	1.3
55.05501	9.4
57.03425	3.6
63.58466	0.9
65.03935	1.3
67.05491	24.3
69.03431	1.2
69.07050	7.4
71.04967	2.1
71.68734	1.3
71.69122	1.2
79.05480	24.7
81.03391	4.1
81.07043	30.7
83.04977	4.9
83.08611	4.7
85.06493	1.1
86.09684	1.5
91.05467	17.9
93.07032	31.1
95.04949	7.7
95.08585	12.0
97.02859	0.9
97.06505	3.3
97.10157	1.7
102.48903	0.8
105.07009	13.0
107.04945	2.4
107.08561	11.7
109.06514	2.2
109.10112	2.2
111.08084	2.4
117.06966	5.3
119.08573	8.6
121.06558	2.2
121.10129	4.4
123.11688	2.3
125.09654	1.0
129.06960	5.2
131.08562	2.6
133.10098	7.4
135.11674	4.0
142.10092	1.0
143.08545	2.2
143.99890	0.9
145.10110	3.7
147.11646	12.1
149.13232	4.7
159.11678	2.8
161.13257	3.4
171.11684	6.7
177.12611	1.2
184.07323	6.7
189.12743	2.4
195.13766	2.7
207.13776	7.9
208.89142	1.0
226.11421	1.0
269.17441	19.0
281.17444	18.6
281.19769	0.6
326.23730	1.1
375.60553	1.2
472.61414	1.0
475.30475	100.0
476.30832	2.3
619.34509	2.2
672.39557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01871	1.1
55.05507	7.6
57.03436	5.4
57.07055	1.5
61.02909	1.0
61.77004	0.5
62.94522	0.5
65.03927	1.6
67.05496	32.7
69.03427	0.9
69.07056	10.7
71.04977	2.2
71.58118	0.5
71.69746	0.6
71.70167	0.7
73.02886	0.7
73.06525	0.7
74.15718	0.5
74.85063	0.6
77.03899	0.5
79.05482	35.8
81.03406	3.7
81.07046	36.6
83.04971	6.8
83.08603	7.0
85.02892	1.9
85.06526	2.4
91.05468	23.7
93.07032	41.1
95.04379	1.0
95.04951	9.6
95.08596	14.6
97.02873	0.8
97.06515	5.1
97.10165	1.6
99.08070	1.1
104.32282	0.6
105.04494	0.7
105.07014	15.1
107.04961	3.6
107.08575	15.1
109.06482	3.3
109.10141	2.3
111.08065	3.2
113.05972	0.5
115.05454	0.8
117.07014	5.4
119.08559	9.9
121.06477	1.3
121.10127	7.7
123.08062	2.7
123.11736	1.1
125.09638	0.6
127.07559	0.8
128.06218	1.0
129.06989	6.5
131.08557	4.4
133.10097	5.6
135.08043	1.1
135.11710	3.2
143.08554	3.1
145.10103	4.2
147.07986	0.8
147.11668	14.8
149.13234	9.0
156.09326	0.6
158.91774	0.6
159.11687	4.5
161.09694	1.2
161.13246	4.5
163.11101	0.5
171.11667	9.6
171.13058	0.8
177.12730	2.1
189.12743	4.0
195.13803	3.2
207.13776	11.6
207.15614	0.8
225.14864	1.9
239.48422	0.6
269.17438	26.5
281.17435	23.9
364.57108	0.7
433.78510	0.6
457.29376	0.9
475.30505	100.0
476.30759	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	672.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67607	0.5
55.01863	0.5
55.05498	3.4
57.03431	3.3
57.07067	30.9
61.02917	10.3
67.05495	8.2
69.03401	1.5
69.07061	6.8
71.04974	0.7
71.08619	27.2
71.14523	0.6
71.14861	0.8
73.02906	4.0
75.04458	1.9
79.05469	1.2
81.03389	0.8
81.07042	11.7
83.08607	9.6
85.02896	11.9
85.06517	0.7
85.10165	13.3
87.34424	0.5
89.06011	0.6
91.03944	10.2
91.05493	0.8
93.07036	0.8
95.08006	1.1
95.08594	17.6
97.02868	5.9
97.10155	4.4
99.04430	0.7
99.11742	0.8
99.84153	0.5
103.07607	0.5
107.04932	0.5
109.10146	8.0
111.11684	1.2
123.11696	3.8
125.13254	0.6
127.03894	3.4
131.08508	0.5
137.13240	1.5
145.04971	5.9
156.36786	0.5
163.06001	8.8
165.16464	0.7
221.22684	1.2
239.23666	22.5
257.24704	3.9
275.25586	0.6
309.09384	0.5
313.27319	100.0
314.27667	2.5
331.28397	26.6
332.28500	0.7
475.32520	2.2
672.41699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01851	0.9
55.05502	7.3
55.17915	0.7
56.05828	0.9
57.03426	4.4
57.07067	42.1
61.02917	15.0
67.05491	17.3
68.05832	1.0
69.03405	3.1
69.07058	9.2
70.07413	0.8
71.04974	2.0
71.08622	31.2
73.02898	5.8
75.04456	2.0
79.05487	5.6
81.03393	3.6
81.07045	22.7
82.07381	1.6
83.04984	1.2
83.08602	12.1
83.68021	0.8
85.02890	19.0
85.09677	1.3
85.10168	17.3
91.03944	14.7
91.05470	5.2
92.05784	1.2
93.07014	5.5
95.04941	3.1
95.08591	28.5
96.08916	1.1
97.02883	8.9
97.06511	1.5
97.10170	5.6
99.04441	1.7
99.11693	1.4
103.05422	0.8
103.07533	1.2
105.07022	5.0
107.04953	1.2
107.08569	2.8
109.02870	1.1
109.10149	12.4
111.08009	1.1
111.11711	1.9
117.07011	2.0
119.08552	3.2
121.10111	2.3
123.08044	0.9
123.11670	5.9
127.03887	5.5
129.06961	1.4
130.07344	0.9
131.08504	2.5
132.05643	0.7
132.08896	1.2
133.06442	0.8
133.10101	1.5
135.11681	1.6
137.13229	2.2
143.08482	1.9
145.04938	8.6
145.06012	1.1
145.10049	2.1
147.08000	0.9
147.11646	1.2
148.11948	0.8
149.09558	1.1
151.14769	1.2
155.08536	1.7
156.01405	0.8
157.10139	1.0
163.05995	12.1
163.11122	1.1
165.16327	1.1
169.10144	1.4
170.10454	1.0
171.08003	0.8
171.11542	1.1
187.09351	0.9
208.11873	0.8
221.22598	1.5
239.23659	22.2
257.24603	4.2
273.14801	0.9
301.14481	1.0
313.27313	100.0
314.27603	2.4
331.24387	1.9
331.28366	34.7
332.28729	1.1
368.23703	0.8
384.08942	0.7
636.39093	2.5
654.39874	2.3
672.41882	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01861	7.0
55.05503	29.0
57.03428	6.8
57.07069	3.5
65.03922	7.0
67.05492	89.8
69.03415	40.0
69.07054	28.1
71.04988	7.7
73.02913	1.9
79.05476	69.2
81.03402	32.0
81.07039	100.0
83.04968	12.8
83.08606	17.5
85.02899	6.6
85.06526	4.8
87.04453	2.0
89.06019	4.1
91.05000	1.2
91.05461	61.9
93.07027	76.9
94.07343	1.6
95.04953	20.3
95.08589	48.0
97.02891	7.7
97.06536	10.4
97.10153	4.8
99.04438	3.1
99.08087	3.5
103.05446	2.6
103.84815	1.2
105.04534	2.9
105.07006	45.3
107.04923	7.0
107.08569	40.3
109.02845	6.7
109.06487	10.1
109.10134	16.5
111.04413	6.6
111.08076	5.0
113.05991	1.5
115.05453	2.6
116.06215	1.4
117.07006	27.7
119.04945	1.5
119.08553	28.0
121.06462	9.0
121.10120	24.8
123.04394	2.0
123.08027	6.9
123.11671	6.8
125.09602	3.3
127.03909	5.5
128.06221	3.9
129.05495	1.4
129.06975	13.6
130.07790	2.1
131.04942	2.0
131.08542	33.6
133.06458	6.6
133.08588	1.6
133.10114	28.1
135.08044	6.1
135.11658	18.2
137.05956	1.9
137.09587	4.7
141.06973	4.0
142.07785	2.9
142.77957	1.4
143.08539	14.2
144.09206	1.8
145.06488	5.1
145.10086	19.3
145.11198	1.3
146.10767	1.4
147.08046	5.6
147.11652	18.5
148.96014	1.2
149.09592	6.8
149.13216	16.9
151.11156	2.3
153.06902	1.5
153.09061	2.3
155.08533	8.1
157.06448	2.5
157.10094	9.6
159.08089	2.9
159.11662	21.5
161.09596	4.0
161.13208	7.2
163.11136	3.4
163.14740	2.5
165.12740	3.3
167.08563	3.4
168.09370	1.1
169.10106	5.3
171.08035	3.7
171.11662	9.3
173.09593	3.4
173.13208	8.8
175.11223	5.0
175.14842	2.9
177.11357	1.7
177.12659	6.6
179.08453	1.3
181.10101	3.1
183.11679	5.9
185.09607	2.1
185.13263	5.5
187.11163	2.5
187.14795	4.1
189.11162	1.4
189.12697	2.3
193.10208	1.3
193.12154	1.5
195.11839	3.1
195.13817	14.1
197.09552	1.6
197.13327	3.8
199.11137	2.4
199.14856	4.6
201.12749	2.1
203.14346	2.8
209.13339	2.1
211.11259	2.2
211.14876	3.3
213.12910	2.4
213.14761	2.4
215.14261	2.2
217.15926	1.6
219.13824	1.8
221.15367	2.4
223.14766	1.5
227.14326	2.5
229.84198	1.5
233.15227	3.0
235.14903	1.5
239.14423	2.1
247.16876	2.1
259.20566	3.9
261.22086	2.9
269.17426	22.9
273.22034	1.5
275.16476	1.4
277.21646	4.3
283.20499	2.3
285.16806	1.6
287.20221	1.3
289.21619	2.1
291.23373	1.5
297.22314	1.5
298.92456	1.3
301.18362	2.1
301.21481	10.5
303.23218	1.5
313.21609	1.9
319.22772	4.5
323.23706	1.7
327.23352	3.3
329.24484	1.5
331.22528	1.7
333.21979	1.8
335.25919	3.4
339.18112	3.6
341.24762	3.6
343.22748	1.6
345.24387	2.9
351.23111	9.9
369.24216	16.3
375.25421	2.0
387.25092	8.2
391.07147	1.2
395.20740	3.8
405.26517	2.6
443.28195	4.8
461.29034	11.5
529.38885	4.0
595.39996	1.5
599.39807	1.6
637.40771	7.4
655.41949	8.5
673.42950	49.7
674.43646	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	673.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27004	2.6
53.03938	14.8
55.01861	7.7
55.05506	31.7
57.03425	7.2
57.07061	5.9
59.04986	16.8
65.03923	7.7
65.40615	2.3
67.05494	100.0
69.03425	41.1
69.07056	26.2
69.60329	22.3
71.04977	9.2
72.40559	2.9
79.05479	78.0
81.03407	33.0
81.07044	99.7
83.04967	16.1
83.08616	19.4
85.02899	9.1
85.06539	6.6
91.05466	60.6
93.07025	80.9
94.51060	2.8
95.04963	22.3
95.08587	55.2
96.09537	2.6
97.02859	9.5
97.06509	14.0
97.10173	6.2
99.04477	4.9
99.08078	3.7
105.07020	50.2
107.04930	10.0
107.08591	43.5
109.02831	6.5
109.06507	11.7
109.10141	21.9
111.04423	9.6
111.08073	7.5
115.05401	4.0
115.11228	3.6
117.07005	32.3
119.08560	30.2
121.06503	10.1
121.10130	26.8
123.08044	9.5
123.11669	6.6
125.09664	5.6
127.03880	5.1
128.06239	4.0
129.06979	15.7
131.08551	28.9
133.06474	5.5
133.10110	26.5
135.08017	8.8
135.11661	19.2
137.09604	3.0
141.06950	5.5
143.08546	12.7
145.06476	4.9
145.10098	21.9
147.08038	6.7
147.11687	18.0
149.09598	5.9
149.13237	16.3
151.07498	3.7
155.08585	5.1
157.06444	5.9
157.10106	8.6
159.08076	5.1
159.11633	19.7
161.09621	4.9
161.13245	5.0
163.11188	6.4
165.12766	3.9
169.10115	7.6
171.11685	9.7
173.09547	4.3
173.13268	10.0
173.15321	4.8
175.11009	3.9
175.14957	3.8
177.12741	9.7
181.10071	3.6
183.11639	4.8
184.07343	6.2
185.13237	6.0
187.11075	3.7
187.14766	4.5
191.10696	3.4
193.12143	4.8
195.11966	3.1
195.13748	15.2
197.13271	5.1
213.12616	4.0
251.14330	2.9
254.57591	3.1
259.20648	3.1
261.22195	3.6
269.17398	20.6
275.20123	5.3
277.21622	7.5
285.22137	3.2
301.21613	5.0
315.23297	3.9
319.22620	6.5
327.23029	3.4
345.24561	3.3
346.04276	3.1
351.23111	4.0
359.52371	3.0
369.24008	14.9
387.25348	8.1
411.12698	2.9
443.28152	7.3
451.95206	3.1
461.28815	9.3
529.38757	4.6
629.29156	5.6
637.40668	10.1
655.41956	7.8
663.87854	3.2
673.43188	46.7
674.42432	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	673.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96117	1.4
53.03932	10.1
54.18689	1.5
55.01860	7.4
55.05275	2.0
55.05507	25.2
57.03428	11.0
57.07059	2.9
60.61987	1.7
60.79466	1.5
65.03918	6.3
67.05497	84.0
69.03419	39.8
69.07053	24.3
71.04986	9.2
77.03918	2.1
79.05480	65.9
81.03404	29.4
81.07044	100.0
83.04958	11.0
83.08607	16.9
85.02895	4.0
85.06523	8.5
86.09682	6.6
91.05465	64.1
91.78697	1.6
92.05775	1.9
93.07032	69.3
95.04957	23.2
95.08590	48.1
96.08911	2.4
97.02865	6.6
97.06522	11.7
97.10168	6.0
98.21078	9.6
99.04436	5.9
99.08073	2.9
99.22369	1.5
103.05489	1.7
105.07012	41.2
107.04907	7.9
107.08576	39.1
108.91051	1.4
109.02860	5.4
109.06505	11.6
109.10135	15.4
111.04408	7.2
111.08065	5.5
113.05962	4.7
115.05397	2.1
117.07011	19.5
119.04897	2.1
119.08559	31.2
121.06499	9.2
121.07204	1.4
121.10133	25.7
123.04402	2.1
123.08018	6.4
123.11678	5.8
125.00005	3.3
125.05988	1.9
125.09631	2.3
125.63862	1.7
127.03860	3.4
128.06213	3.9
129.05469	1.9
129.06998	12.5
131.04900	3.4
131.08540	30.7
133.06462	4.8
133.10118	30.3
135.08026	8.1
135.11673	19.9
137.09595	4.8
139.07567	1.9
141.06975	3.8
142.07710	2.1
143.08560	10.1
145.06438	2.8
145.10085	15.1
147.08034	7.6
147.11679	13.5
149.05984	2.1
149.09593	4.7
149.13225	14.7
151.11174	3.6
155.08521	7.0
157.06488	3.4
157.10123	8.4
159.08017	4.0
159.11661	19.0
161.09604	4.1
161.13231	6.3
163.11162	4.7
165.09152	1.9
165.12675	3.0
167.08586	3.1
169.10095	4.8
171.07961	2.2
171.11659	5.6
173.09619	3.3
173.13281	7.7
175.11160	4.4
175.14781	2.4
177.12790	7.8
179.08585	2.1
181.10030	3.8
183.11662	5.6
184.07332	17.6
185.09644	2.5
185.13203	4.2
187.11174	4.2
187.14847	2.2
189.12735	2.1
195.11800	2.8
195.13791	10.0
197.13235	5.6
199.11259	2.4
199.14772	3.4
201.12621	2.7
201.16339	1.7
209.13217	2.1
211.14868	2.4
213.14697	2.0
213.16565	1.6
215.12616	2.0
219.13797	1.8
231.13593	1.9
233.15297	1.9
243.21077	2.0
257.15289	1.9
259.20563	4.6
261.14993	2.1
261.22067	4.3
267.15826	3.0
269.17453	15.0
273.18414	3.0
273.22171	2.8
275.16513	2.0
277.21509	3.2
283.20435	1.8
285.16824	2.4
289.17953	2.1
291.19403	8.6
301.21484	5.3
303.15894	1.8
303.23279	2.1
315.23233	2.6
319.22635	3.6
321.16779	2.5
327.23328	2.6
333.24216	2.2
335.25940	2.6
336.26315	1.8
339.18115	3.4
339.23044	2.2
341.24774	2.5
345.24185	2.3
351.23169	4.7
365.23181	2.3
369.24213	13.2
371.25604	2.7
375.24799	2.4
377.19516	1.8
387.25293	5.5
395.20676	2.9
405.26318	2.0
438.73660	1.8
443.27875	4.6
461.28748	7.5
529.38647	2.5
619.39404	2.2
637.40503	7.0
655.41687	13.6
673.43030	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	674.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05518	1.4
57.03423	0.4
57.07067	0.4
62.06054	0.4
67.05495	2.6
69.03413	1.4
69.07059	2.4
70.06558	0.6
70.57319	1.0
71.04947	0.5
71.08624	4.7
72.08123	0.9
73.06591	0.2
74.68687	0.2
79.05473	2.0
80.07929	0.2
81.03410	1.2
81.07047	4.4
83.04947	0.4
83.08616	1.6
84.04493	0.3
84.08141	1.3
85.02900	1.6
85.06541	0.2
86.06059	3.0
91.05464	1.2
93.07024	3.0
95.04935	0.6
95.07350	0.3
95.08585	2.8
96.08116	2.2
97.02891	1.1
97.03403	0.2
97.06516	1.1
97.10146	0.3
98.06052	0.8
98.09678	1.8
99.04406	0.6
99.08083	2.2
105.07002	0.9
105.38937	0.2
107.04944	0.5
107.08591	2.3
108.08123	1.2
109.02845	1.3
109.10107	0.6
110.09624	0.4
111.07975	0.5
113.08372	0.3
114.09142	0.4
116.10715	15.1
117.07003	0.5
119.08534	0.7
121.10139	1.3
122.09659	1.6
124.07557	0.5
126.09126	0.7
127.03899	2.0
129.01779	0.4
130.82497	0.2
131.08546	0.4
133.10152	0.6
135.08032	0.3
135.11659	2.5
136.11180	0.5
140.10669	0.7
143.10651	1.7
145.10101	1.0
149.13232	2.0
150.12695	0.3
154.15877	2.3
159.02788	0.2
159.11647	0.5
163.11160	2.4
164.14299	0.4
166.15878	2.2
167.14160	0.5
168.17451	0.6
176.72159	0.3
178.15910	1.2
195.13737	0.4
196.16949	6.1
213.03981	0.4
214.17990	100.0
215.18370	1.4
227.12738	2.6
231.15837	1.6
238.18002	0.4
239.16472	0.3
256.19086	0.3
257.17508	1.1
269.17407	3.3
283.15366	1.8
310.23721	1.0
321.16904	0.5
328.24759	2.4
376.23169	0.3
405.57239	0.2
408.31012	1.6
418.24344	0.6
426.32104	8.7
443.26840	0.2
461.43652	0.2
462.23264	8.4
463.30176	0.3
469.14813	0.4
471.16251	0.3
477.21915	0.4
477.28424	6.0
481.14966	0.4
482.15973	1.5
483.16525	1.0
485.18207	0.3
495.16699	0.4
496.17252	0.7
497.18192	3.8
498.18958	0.3
500.16614	0.3
510.19376	0.3
511.19647	0.5
515.19836	0.3
542.17786	0.3
555.18359	0.4
633.15320	0.2
643.23987	0.6
644.24707	0.6
657.24530	0.6
674.22552	0.3
674.36627	1.4
675.26581	11.1
702.36127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01873	1.7
55.05495	5.6
57.03422	2.2
57.07059	4.9
67.05496	12.7
69.03421	5.5
69.07066	7.9
71.08618	3.1
71.67537	1.3
71.67978	2.9
79.05479	13.6
80.04993	4.9
81.03397	3.3
81.07043	12.7
82.02944	2.9
83.04966	5.5
84.04490	5.2
85.06538	1.9
91.05477	13.1
93.07024	12.5
95.04964	3.4
95.08582	7.6
96.04473	3.6
97.02839	1.6
97.06473	2.2
105.07026	9.7
107.04933	3.8
107.08570	6.7
108.04463	33.6
109.06490	2.5
109.10152	3.0
110.06017	4.6
117.06979	7.8
119.08578	6.0
121.06433	2.8
121.10148	4.0
122.90378	1.7
124.07590	2.1
128.06238	1.7
129.06990	5.0
131.08565	11.1
133.10091	4.5
134.06001	5.0
136.07530	4.4
141.06934	4.2
142.07756	1.9
143.08533	13.9
145.10094	10.4
146.05977	10.1
148.03918	3.2
148.07541	3.4
150.05495	2.2
152.07039	6.7
154.07813	3.3
157.10106	12.2
158.06027	2.0
159.08051	3.5
159.11685	8.4
160.07486	1.9
161.09715	3.8
162.05437	2.5
165.06985	1.8
167.08537	30.7
169.10091	11.8
171.35818	1.6
172.07579	2.3
174.05461	14.1
175.07600	1.7
176.07025	3.2
185.09576	39.5
187.11084	8.0
197.13303	2.9
203.10611	5.2
207.11607	2.7
213.09052	5.7
225.12656	1.8
231.10155	12.8
249.11206	23.7
250.12259	3.7
251.23711	4.0
252.13728	2.3
261.21985	1.8
268.13214	2.1
279.23123	8.1
286.14304	2.0
296.12796	13.1
314.13858	4.6
326.17447	1.8
332.14810	12.6
344.25827	2.9
352.15402	2.7
354.17218	3.9
358.16513	3.3
360.14337	83.8
361.14551	2.9
372.14490	2.8
382.16473	2.2
386.16187	8.8
398.15961	14.2
400.17468	1.9
410.15848	3.1
426.15463	47.6
428.16977	20.6
495.16296	4.6
548.37775	3.5
592.35870	6.9
592.51843	2.1
602.34442	2.0
610.37360	2.9
612.44861	1.6
620.35669	100.0
621.35675	5.7
638.36798	87.5
639.37097	4.1
642.23627	7.9
656.37689	7.6
674.43408	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	674.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51558	0.5
53.03940	1.2
54.07654	0.5
55.01853	0.7
55.05500	3.6
57.07071	3.9
62.97421	0.5
65.03928	1.5
67.05489	5.7
68.85770	0.5
69.03405	2.0
69.07052	4.8
70.94998	1.6
70.95346	0.5
71.08604	1.8
79.05478	4.7
80.05001	12.2
81.03414	1.2
81.07039	4.8
82.02914	4.3
82.06574	0.8
83.04967	2.0
83.08605	2.1
84.04478	1.7
85.10176	0.7
89.36807	0.5
91.05461	5.9
93.03381	0.8
93.07026	4.6
94.02919	2.3
94.04196	0.9
94.06535	2.0
95.04954	1.8
95.08575	3.2
96.04475	5.1
97.02904	0.7
97.06503	0.7
97.10139	1.8
101.24496	0.5
104.04988	0.7
105.07016	3.9
106.06555	2.2
107.04923	1.4
107.08572	1.9
108.04455	37.2
108.08068	0.8
109.10149	1.1
110.02370	0.8
110.06018	11.3
113.49189	0.6
115.05451	0.9
117.06985	3.0
118.06540	2.9
118.55655	0.5
119.08588	1.9
120.04392	0.8
120.08060	1.2
121.06470	1.1
121.10124	1.8
122.06017	3.2
124.07571	0.8
128.06223	1.1
129.07002	3.2
130.06529	1.1
130.07736	0.6
131.08565	4.3
132.08073	1.1
133.10104	3.0
134.06001	8.5
135.08043	1.0
135.11707	1.1
136.03925	0.9
136.07585	1.6
141.06999	2.2
142.07809	1.2
143.08522	5.7
144.07979	0.8
145.10052	3.1
146.05988	11.6
147.06740	0.7
147.07977	0.5
148.03931	3.4
148.07538	5.2
150.05534	1.5
154.07779	2.1
157.10080	7.7
158.05981	6.1
158.09679	1.4
159.06705	0.9
159.08000	7.0
159.11691	2.3
160.07480	2.5
161.09596	6.4
162.05435	3.2
162.10387	0.6
163.11096	0.6
164.07071	1.2
167.08531	14.9
168.09299	0.7
169.10078	6.1
170.07240	0.9
171.08038	0.7
172.07565	2.1
173.09642	0.8
174.05469	39.2
175.06104	1.4
175.11116	0.6
176.07043	6.0
177.09122	1.4
179.08611	0.9
181.10107	1.2
183.11786	1.3
185.07950	0.8
185.09587	13.9
185.11166	1.1
186.05386	0.8
186.09058	1.2
187.11211	2.0
188.07077	1.8
190.04941	0.8
190.08614	0.7
192.09261	1.1
193.10118	0.9
195.07965	0.6
195.11668	1.7
197.13084	0.6
198.09077	0.9
200.07076	1.2
200.10657	1.2
202.08682	1.1
203.10689	1.6
205.08534	0.8
205.10236	0.8
206.09492	0.8
207.11702	2.3
213.09100	2.3
214.08582	0.7
214.12267	0.7
221.09676	0.7
222.09262	0.6
222.12819	0.9
223.11232	1.5
225.12796	0.7
226.08731	0.6
226.12245	0.6
231.10048	3.3
240.13828	2.6
249.11186	4.2
250.12239	8.7
251.23726	2.7
252.10161	0.8
252.13733	3.1
261.22211	1.0
268.13263	3.9
270.14951	0.7
276.13782	0.6
278.11694	2.0
279.23145	2.8
281.10257	0.6
286.14355	1.7
296.12766	10.9
304.22485	0.7
306.14896	1.3
314.13797	23.0
314.24765	1.6
316.13406	1.6
318.14944	1.3
322.14471	0.7
327.51804	0.5
332.14850	13.5
332.18674	0.8
334.14365	1.7
340.15311	2.7
340.26337	1.8
342.27991	1.0
344.26022	1.6
351.41986	0.5
352.15396	1.6
356.25809	1.3
358.16418	1.0
358.27219	1.1
360.14346	44.5
361.14630	1.2
362.13782	3.1
364.15598	1.6
368.14777	0.9
368.25830	1.6
369.26578	13.6
370.27182	2.3
380.14780	11.5
382.16400	2.3
386.15802	3.8
396.14084	0.8
398.15887	10.1
400.17584	1.9
402.15381	0.7
412.17422	2.0
426.09622	1.2
426.15396	24.5
427.15530	0.8
428.16992	6.3
456.16751	0.9
518.36029	0.7
546.35706	2.1
548.37561	0.7
574.35065	6.2
592.36194	12.5
593.36176	0.9
610.37982	2.6
620.35681	59.1
621.36060	3.7
638.36749	100.0
639.37128	6.2
656.37781	15.9
656.46460	0.5
657.37610	0.6
674.39117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01859	3.1
55.05507	8.6
57.03417	1.7
57.07062	4.2
65.03910	2.0
66.92426	1.5
66.95441	1.3
67.05492	13.9
68.05822	1.6
69.03408	4.9
69.07056	7.9
70.02923	1.4
71.04973	2.7
71.08611	1.8
79.05485	14.1
80.04996	15.8
81.03416	3.2
81.07042	14.2
82.02934	4.8
83.04954	4.3
83.08596	6.4
84.04543	2.3
86.09679	2.4
91.05470	18.3
93.07045	12.4
94.02913	3.9
94.06549	2.0
95.04922	3.6
95.08585	8.0
96.04463	6.4
97.06557	2.7
97.10163	3.8
105.06996	10.6
106.06539	3.8
107.04930	4.9
107.08564	5.8
108.04456	41.3
109.02883	1.5
109.06496	2.2
109.10173	3.6
110.06036	14.9
111.04395	2.2
115.05459	2.1
117.06985	7.5
118.06528	3.9
119.08571	7.2
121.06510	1.8
121.10132	5.3
122.06000	4.7
123.08009	1.8
124.07605	1.8
124.66886	1.5
124.99994	2.9
128.06218	1.7
129.06966	4.5
131.08585	10.4
133.10117	4.7
134.05975	11.1
136.03882	1.6
136.07542	2.5
141.06944	3.0
141.61913	1.8
142.88628	1.6
143.08513	5.9
145.06459	1.9
145.10092	5.5
146.05994	13.4
147.11775	1.9
148.03937	5.1
148.07532	7.8
149.13216	2.1
150.05501	3.8
154.07742	2.4
155.08563	4.2
157.10133	11.9
158.06010	7.6
158.09605	1.7
159.08003	8.5
159.11684	4.8
160.07507	2.7
161.09605	6.6
162.05490	4.1
167.08530	16.0
169.10091	7.7
170.07220	1.8
172.07513	3.7
174.05478	60.4
175.06093	2.3
176.07028	8.4
184.07321	12.4
185.09566	16.0
186.09065	1.6
187.11205	2.1
188.07063	1.5
195.11659	4.1
200.06967	2.1
203.10703	2.4
207.11639	1.7
213.09106	2.6
214.08749	2.2
231.10127	3.2
236.10571	1.6
240.13844	3.5
249.11174	4.1
250.12129	9.8
251.23703	4.3
252.13734	3.2
268.13306	2.8
269.17557	1.8
278.11679	2.7
279.23395	2.0
286.14502	1.6
291.19531	2.7
292.20380	1.7
296.12698	12.8
296.39520	1.5
306.14825	3.3
314.13773	30.2
314.24673	2.1
316.13400	4.3
332.14810	15.5
334.14325	2.8
337.05905	1.6
340.15485	3.0
340.26080	1.7
352.15259	3.6
360.14398	42.9
361.14835	4.2
362.13687	4.3
368.25726	1.7
369.26663	16.7
370.16168	2.0
370.27191	3.5
380.14795	16.2
382.16629	2.9
386.15945	4.8
398.16000	16.8
426.15427	50.4
427.15680	2.7
428.17236	7.9
546.35712	1.8
574.35004	5.1
592.36163	13.8
610.37091	2.9
620.35718	58.4
621.35590	6.5
638.36786	100.0
639.37280	14.8
656.37744	30.3
657.37628	4.5
674.32397	23.7
674.42566	3.6
675.32178	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	675.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07251	0.2
55.01861	0.3
56.96558	1.0
56.96771	0.2
57.03411	0.3
61.02924	0.2
69.03413	0.9
69.41198	1.9
70.06216	0.2
70.06578	3.1
71.06901	0.3
71.25739	0.2
72.08153	0.2
73.02894	0.4
76.05214	0.2
77.00888	0.2
81.03400	0.4
82.99840	0.4
83.04947	0.2
85.02881	2.3
89.03892	0.2
92.29466	0.2
94.99859	0.5
97.01398	0.3
97.02870	1.0
97.03401	0.2
98.97567	2.1
100.00014	0.2
101.00855	1.1
102.96864	0.2
103.02409	0.7
105.00363	0.2
109.02821	0.3
110.97557	0.3
111.04423	0.3
112.99136	0.2
113.00847	0.7
115.02409	2.2
115.03778	0.2
116.98609	1.3
117.03312	0.3
119.01077	0.3
119.01895	5.0
119.02737	0.3
121.03442	0.4
123.04399	0.8
127.02403	0.3
127.03901	1.3
128.98604	0.4
129.03983	0.8
131.00150	0.8
131.01872	4.0
132.02077	0.2
133.03438	14.8
134.03534	0.6
134.99577	0.7
135.04346	1.1
137.02914	0.8
139.02417	0.2
139.03844	1.4
141.03943	0.8
143.00095	0.4
143.01872	3.8
145.03423	3.2
145.04903	0.5
146.99644	0.4
147.01263	0.4
147.05023	2.0
149.01219	0.9
149.02870	0.5
151.04501	3.4
153.03960	0.4
155.01857	5.9
156.02634	0.6
156.05011	0.7
157.03429	4.5
158.99609	0.7
159.04997	8.1
160.05086	0.4
161.01357	0.4
161.02911	4.7
161.05498	0.5
161.06627	0.3
161.55551	0.4
162.03055	0.3
163.03836	4.4
164.04227	0.5
165.05513	0.2
167.01933	0.5
168.05016	0.3
169.03384	1.0
170.99623	0.3
171.04988	4.8
172.05121	0.2
173.01352	0.3
173.02917	7.0
173.06389	0.2
174.03172	0.3
175.02924	0.2
175.04486	3.4
177.00681	0.7
177.04439	0.3
177.06061	3.7
178.05913	0.2
179.01891	1.8
181.03479	0.3
182.06557	0.3
183.04997	4.3
184.04692	0.3
185.02921	3.2
185.06552	1.6
186.03241	0.3
187.02846	0.3
187.04453	1.2
189.00658	0.5
189.04387	0.5
189.06039	1.6
191.02168	0.4
191.03862	0.3
193.03548	1.1
193.05128	0.2
194.06628	0.3
195.05153	0.5
195.07072	2.9
196.04559	0.2
197.02913	4.6
197.06531	0.8
199.04468	1.3
201.00728	0.6
201.04279	0.4
201.06015	1.8
203.03964	2.8
203.07542	0.5
205.05522	0.6
207.05139	0.8
211.04518	2.4
213.06050	1.3
215.03923	0.4
215.07430	0.3
217.05409	0.2
218.06352	0.5
218.08670	0.2
219.01704	1.2
219.07098	17.1
220.04924	0.2
220.07234	0.9
221.03008	0.6
221.05009	8.8
222.05154	0.4
225.06007	0.7
227.04016	0.3
229.05083	0.3
231.07101	17.3
232.07286	0.9
232.96344	0.2
233.08636	3.9
234.08768	0.3
237.00726	0.3
237.02777	1.1
237.06029	0.3
239.04015	0.3
239.06148	0.3
242.58221	0.4
243.07014	1.4
244.07794	0.3
245.05026	18.4
245.08537	1.1
246.05200	1.2
247.06529	0.7
251.08653	0.5
251.58768	0.8
252.08542	0.3
252.58957	0.3
255.07104	7.0
256.07217	0.4
257.04611	0.9
259.06525	1.6
261.02869	0.5
261.08176	2.5
262.08310	0.3
263.06067	1.7
263.09402	0.3
265.07684	0.4
273.08136	7.2
273.58261	0.5
274.08362	0.5
279.03873	0.3
281.07346	0.3
285.07962	0.3
286.07776	0.7
291.09311	0.6
296.09778	0.3
303.09137	0.8
305.10724	0.2
307.05975	0.2
309.08102	0.3
315.09186	0.2
321.10245	100.0
322.10483	5.9
323.10068	0.2
325.81992	0.2
333.05048	0.4
333.08212	0.3
333.11111	0.3
337.08008	0.5
339.11584	6.0
340.11572	0.4
342.06223	0.2
351.05667	0.3
351.09595	0.5
354.60770	0.2
362.13202	1.1
377.01288	0.3
377.06149	0.3
393.06488	0.2
466.12332	0.3
483.13177	0.7
495.13708	0.2
501.14169	0.6
513.14355	0.6
539.11499	0.2
544.28455	0.2
657.18689	2.9
658.18848	0.2
675.19684	7.1
676.20020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35127	0.3
56.96565	1.6
57.03409	0.4
67.04340	0.3
69.03400	0.8
69.74072	2.4
70.06581	2.4
71.10916	0.3
77.00893	0.3
82.99836	0.6
85.02876	2.5
89.03893	0.4
91.70654	0.3
92.68750	0.3
95.04959	0.4
97.01443	0.6
97.02882	0.9
98.20705	0.7
98.97576	2.4
99.04358	0.4
101.00891	1.1
103.02486	0.4
103.10657	0.3
106.59419	0.3
110.97625	0.3
113.00861	0.4
115.02415	2.0
116.98624	1.7
119.01890	4.2
119.04919	0.5
120.19067	0.4
121.03497	0.4
123.04427	0.5
127.03890	1.4
128.98581	0.5
129.03900	0.5
131.00218	0.7
131.01880	3.6
133.03452	14.7
134.03506	0.4
134.99617	1.0
135.04387	1.6
136.87425	0.3
137.00861	0.4
137.02954	0.7
138.01544	0.3
139.03891	1.4
141.03931	0.9
143.00174	0.7
143.01869	3.3
145.03528	3.4
145.04704	0.4
145.04999	0.4
146.99622	0.9
147.01367	0.6
147.03297	0.4
147.04968	1.1
149.01215	0.9
149.02879	0.7
151.04515	3.5
153.03941	0.6
155.01880	5.0
156.05048	0.6
157.03455	4.2
158.99637	0.9
159.05006	6.1
159.06277	0.4
160.05048	0.4
161.01346	0.7
161.02940	4.9
161.05521	0.4
163.03848	5.8
164.04257	0.5
169.03438	1.1
171.04977	4.8
173.01413	0.4
173.02907	6.5
173.06516	0.4
175.02953	0.6
175.04480	3.1
177.00700	1.2
177.04507	0.6
177.06055	3.7
179.01874	1.8
183.05005	4.3
185.02898	2.8
185.06612	1.2
187.04520	1.3
189.00711	0.9
189.04445	0.4
189.06017	1.9
191.02226	0.5
191.03903	0.5
193.03551	1.2
195.05495	0.5
195.07083	2.7
196.04503	0.5
197.02924	4.4
197.06493	1.0
199.04553	1.3
201.00684	0.7
201.04340	0.5
201.06073	1.4
203.03954	2.7
203.07561	0.7
205.05524	0.9
207.05153	0.5
211.04579	1.9
213.06081	1.2
215.07675	0.5
219.01756	1.5
219.07111	16.8
220.07263	1.0
221.03041	0.5
221.05032	8.9
222.05408	0.3
225.06114	1.1
231.07117	19.8
232.07277	0.7
233.03467	0.4
233.08725	4.4
237.02782	1.8
239.04028	0.4
241.05650	0.3
242.08118	0.5
243.07137	1.3
244.08000	0.7
245.05043	18.8
245.08731	1.0
246.05345	1.3
247.06674	0.6
251.08708	0.8
251.58856	0.8
252.08821	0.6
255.07104	7.8
257.04715	0.5
259.06641	1.2
261.02805	1.1
261.08206	3.1
263.06079	1.4
273.08179	7.1
277.06018	0.4
279.03998	0.5
281.07123	0.7
285.08090	0.9
291.09296	0.5
296.09900	0.4
303.09305	1.5
305.10739	0.5
309.08411	0.6
321.10275	100.0
322.10477	4.5
323.10077	0.6
330.06241	0.4
333.08725	0.5
337.07959	0.7
339.11603	7.5
340.11850	0.5
355.08981	0.7
362.13031	1.1
385.05820	0.5
483.13275	0.8
501.14435	0.7
513.15045	0.6
657.18744	3.2
658.18268	0.5
675.19531	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	675.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68661	1.0
53.03930	0.8
55.01859	0.9
55.05483	3.6
56.95475	0.8
57.07051	3.3
59.80735	0.8
61.02900	2.3
67.05495	8.4
69.03410	1.6
69.07046	3.3
70.86753	2.4
71.04965	1.2
71.06492	0.8
71.08606	2.0
72.08967	0.9
72.23793	0.7
79.05482	5.7
81.03410	5.9
81.07046	7.3
83.04957	1.9
83.08606	2.2
85.02885	1.9
87.04428	1.0
91.03928	1.2
91.05462	6.1
93.07034	4.4
95.04948	2.3
95.08068	0.8
95.08563	4.8
97.02849	3.5
97.06514	1.2
97.10126	1.0
99.04400	1.0
105.06994	3.7
107.04961	1.0
107.08554	2.5
109.10133	2.9
117.06973	2.8
118.68052	0.9
119.08548	3.2
121.06454	0.9
121.10104	2.0
123.11685	0.9
127.03790	1.0
128.60735	0.8
129.06978	0.9
129.74167	0.7
131.08531	3.4
133.10094	2.7
135.11681	1.2
143.08585	1.5
145.10080	3.5
147.11612	1.3
151.11166	1.6
156.03584	1.2
157.10117	1.7
159.11719	1.8
167.08545	1.0
169.10085	1.4
171.11685	1.6
173.04407	2.2
173.13184	1.2
183.11630	1.2
185.13254	1.5
195.11681	1.3
205.10245	0.9
211.63046	0.8
227.20099	1.3
259.20178	0.8
275.20050	1.0
291.19672	1.3
313.27264	3.0
314.27667	3.3
315.27811	1.9
332.28751	1.4
347.17078	2.0
347.67224	2.0
370.10645	2.1
384.12091	4.1
385.08182	0.6
385.12909	15.7
386.13809	7.1
397.13052	3.2
398.13763	6.4
399.14493	23.3
400.15271	62.5
401.15741	5.1
411.14355	2.5
412.15530	7.7
413.16119	16.4
414.16806	24.7
415.17523	4.6
418.17407	1.7
421.30997	1.0
423.14270	1.1
424.15295	1.4
425.16379	1.7
426.16660	3.4
427.18152	10.7
428.18600	13.5
429.13034	1.9
429.19183	54.2
430.12692	1.3
430.19409	3.2
439.32251	1.0
441.15381	3.5
442.16400	4.9
443.12799	5.5
444.08292	1.3
444.14221	12.5
447.20242	1.4
455.17130	19.3
456.17792	7.0
457.15012	3.8
457.20007	1.2
458.15149	5.8
459.16281	6.9
466.12659	1.2
469.18686	1.1
471.16647	1.1
472.17429	5.7
473.18198	21.6
474.18433	1.3
481.14883	1.6
482.15460	1.3
483.16504	12.6
484.21320	1.3
487.15854	5.2
495.16544	1.0
499.15573	2.0
500.16275	1.0
501.17349	10.9
502.18210	2.6
509.14520	1.1
510.14774	1.1
511.19366	2.0
512.20325	1.7
513.35730	10.3
516.23737	12.0
523.16144	1.2
524.16272	1.0
525.17456	1.3
527.15228	6.4
529.20398	1.1
531.36810	1.0
538.17865	1.1
539.19177	11.7
540.19507	6.6
541.19525	1.0
543.22333	13.8
544.23163	35.0
545.23010	2.0
555.18610	2.9
560.14679	1.5
560.22552	15.0
569.20709	1.4
570.20544	2.0
571.21832	58.1
572.22076	13.7
573.20160	3.5
575.24658	3.2
587.21289	6.6
588.22089	100.0
589.22162	5.4
589.55219	0.9
598.20178	0.9
601.22699	3.4
603.24481	5.4
615.20709	7.5
616.21033	5.1
619.23541	2.8
629.12433	1.4
629.22241	17.4
631.23651	7.1
647.23755	5.7
657.21899	20.2
657.38275	1.5
675.22894	12.8
675.40576	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46283	0.3
58.92526	0.4
67.05498	0.9
67.99387	0.4
69.90808	2.4
74.32201	0.4
79.05483	0.8
81.03413	0.5
81.07038	0.8
91.05466	0.4
93.07038	0.5
97.06448	0.4
105.07032	0.4
105.91492	0.3
147.11618	0.5
256.15067	0.4
257.13391	0.4
269.17447	0.5
412.15479	0.4
445.19144	0.6
453.15427	0.6
454.16599	1.0
455.12631	0.5
467.13095	0.7
467.17783	0.6
468.13837	2.6
469.14835	9.4
470.15735	3.0
471.16501	1.1
479.30130	0.5
481.14572	2.8
482.15744	12.0
483.16559	11.5
484.17242	2.2
485.18628	0.5
487.16306	0.4
495.16788	1.9
496.17316	6.2
497.18137	41.5
498.18695	6.7
499.20087	0.4
500.17032	0.5
509.15787	0.4
510.19144	2.4
511.19736	6.2
512.20648	2.6
515.19458	2.5
523.15912	0.6
528.16089	2.4
529.17114	0.7
538.20679	1.3
539.22986	0.5
541.17279	1.1
542.17798	2.6
555.18536	2.1
556.19330	3.1
557.20184	4.1
569.19897	0.7
570.21240	0.4
571.20502	0.4
580.06946	0.4
585.23334	0.5
616.21771	1.4
617.11359	0.4
617.22620	0.5
629.22424	0.7
643.23962	6.9
644.24512	9.4
645.24060	1.4
657.25354	7.8
658.25385	1.1
675.26453	100.0
676.26678	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	675.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94091	0.3
55.05495	0.4
57.03424	0.3
67.05487	1.1
69.03414	0.4
69.07059	0.5
69.33002	0.3
69.33359	3.6
79.05480	0.6
81.03410	0.9
81.07036	1.2
85.02890	0.8
90.73211	0.3
91.05462	0.7
93.07028	0.6
95.04959	0.4
95.08587	0.7
97.10114	0.3
105.07032	0.9
107.04934	0.3
107.08591	0.7
109.10145	0.4
117.06960	0.3
119.08552	0.5
121.10163	0.5
128.46185	0.3
131.08601	0.3
133.10124	0.3
135.08023	0.4
149.13292	0.4
165.09128	0.8
193.12227	0.3
211.13326	0.4
223.50458	0.3
267.15894	0.4
269.17407	0.9
285.16873	0.6
400.15585	0.5
413.16080	0.6
414.17007	0.5
415.13339	0.3
416.14755	0.4
426.16553	0.3
427.18137	0.4
428.14221	0.5
429.15622	1.0
430.16321	1.3
440.14453	0.5
441.14383	0.5
441.19394	1.4
442.16483	0.8
443.17404	1.4
444.17786	1.4
445.18726	2.4
453.15845	0.7
456.14111	1.1
456.18954	0.4
457.14908	1.6
457.19757	0.9
458.19977	0.4
459.16190	0.3
461.29037	0.6
467.12381	0.5
467.17273	1.3
468.14026	1.1
469.14154	2.5
470.15018	1.9
471.16238	3.7
472.17337	1.6
473.17804	0.8
475.19907	0.5
479.30048	1.1
480.13947	1.5
481.14529	3.2
482.15732	3.2
483.16537	4.3
484.17676	1.4
485.18414	4.1
486.18713	0.5
495.16608	9.2
496.17178	5.8
497.18146	10.7
498.19211	2.3
499.20279	0.8
500.16989	0.8
503.19519	0.6
510.18536	0.5
511.19611	0.5
513.17627	2.2
514.18671	0.4
515.19446	0.5
527.19299	0.7
528.17029	0.5
529.20813	0.6
531.19012	0.4
536.19623	0.5
537.19403	0.4
541.17578	0.4
542.17944	0.4
544.15625	0.4
545.23114	0.5
555.18512	10.5
556.18781	1.9
557.20624	1.1
573.23578	3.5
574.23053	0.4
583.21704	1.1
585.23029	0.9
596.21655	0.5
601.22845	0.6
616.21759	0.4
617.22186	3.1
618.23352	0.4
643.23767	3.6
644.24988	1.4
645.21777	2.1
657.25311	1.0
660.24280	4.8
661.24036	0.5
675.26489	100.0
676.26843	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	675.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01851	4.2
55.05505	3.4
57.03427	1.7
65.03934	2.2
67.05496	7.3
68.99774	2.4
69.03411	8.1
69.07059	9.8
70.06564	1.7
71.04982	2.5
71.69326	1.4
71.69707	1.6
79.05482	8.9
80.04999	2.5
81.03406	6.4
81.07047	9.0
82.06572	2.2
83.04971	7.9
83.08605	1.9
85.02888	10.8
85.06516	2.6
87.00801	3.0
87.04399	1.8
91.05469	10.4
93.05790	1.5
93.07028	16.4
94.06548	12.9
95.04959	6.3
95.07343	6.6
95.08598	5.6
96.08108	15.9
97.02875	4.3
97.05933	2.3
97.06519	22.9
99.04444	2.2
103.05458	2.1
105.07027	6.7
107.04936	2.9
107.08569	7.1
108.04462	2.5
108.08104	15.9
109.02882	5.0
109.06489	5.1
109.10121	5.8
110.09662	28.3
111.04455	2.3
117.06961	1.8
119.08572	6.3
120.04411	2.0
120.08085	18.5
121.06496	4.1
121.10105	4.1
122.06022	13.1
123.04398	15.3
123.07990	2.0
123.11671	2.7
124.03871	1.6
124.07565	2.2
125.05984	5.7
127.03903	19.5
131.08505	2.6
132.07973	1.4
133.10081	4.2
135.04405	6.3
135.08006	3.0
135.11696	2.9
136.07565	17.2
137.09544	2.4
138.09125	30.3
139.03873	18.4
142.07762	1.8
143.07031	5.1
143.08549	3.0
145.10089	6.0
146.05992	1.5
147.04395	3.2
147.11642	2.5
148.07561	7.5
149.09641	2.4
151.03902	5.7
151.07497	4.2
152.07025	2.0
155.08511	1.9
157.10120	6.1
159.02847	2.7
159.11708	3.1
160.07562	1.8
163.03926	12.4
164.07033	3.2
165.05444	2.1
165.09119	3.0
166.08620	35.1
169.10083	2.6
171.11720	3.1
173.13240	3.5
175.07555	1.9
175.14711	2.0
177.05400	2.1
177.09099	1.4
178.05121	1.4
179.08537	1.6
183.11597	1.6
187.14845	1.8
191.03387	3.9
197.13264	1.9
201.05458	2.6
201.09055	2.8
203.03516	1.7
204.06534	1.8
211.08704	2.7
211.14806	1.8
219.10126	2.9
221.10730	3.2
223.08592	2.0
225.10130	3.7
227.11719	2.2
229.04906	3.0
229.13097	1.4
233.04315	1.5
235.08705	4.4
235.12384	1.3
235.14975	1.8
236.09395	2.9
237.10234	4.2
239.11826	2.3
241.13385	3.3
247.05972	4.1
247.08679	6.1
247.14732	1.4
248.09265	2.1
249.10216	29.4
250.10852	5.1
251.11729	7.5
253.09671	2.8
253.19453	2.8
257.04416	5.6
257.08899	1.7
259.09641	7.8
261.10144	5.0
262.11060	2.4
263.08084	2.0
263.11749	7.3
265.09717	5.6
265.12885	1.4
267.11334	2.6
267.21127	1.7
269.09174	1.7
269.12808	3.1
271.05826	3.2
271.10596	2.0
275.05508	3.4
277.09714	18.7
278.10400	4.9
279.11179	5.8
279.92688	1.3
281.09241	2.9
281.12558	1.5
283.06842	1.5
283.10468	2.1
285.11981	1.8
287.05463	3.6
289.06949	2.7
289.09760	3.3
291.11215	4.6
293.09149	2.7
295.10681	3.3
297.12448	2.1
299.10095	3.3
300.11087	1.6
301.06967	3.0
307.10364	2.5
309.12308	5.4
310.12955	2.9
311.14224	1.8
313.12009	3.1
314.12857	2.7
315.13632	2.0
316.10907	1.9
316.14340	1.5
318.12473	1.6
321.08896	1.9
323.10245	2.3
324.15024	3.3
326.13034	1.7
327.13870	3.3
328.10800	3.3
328.14432	6.8
329.11725	2.4
329.15311	2.9
330.15875	1.6
335.10236	3.2
337.12247	1.4
338.12949	3.5
339.13657	3.1
340.10822	2.0
340.14648	2.6
341.11673	4.2
342.12274	9.3
342.16116	2.6
343.12799	5.0
344.13895	3.8
350.01730	1.6
352.14340	8.4
353.11307	2.0
353.15179	3.9
354.12241	5.3
354.16101	3.1
355.13040	5.2
356.10101	2.4
356.13873	14.0
357.14484	7.0
358.15491	2.3
366.12274	1.6
367.12335	2.0
368.09845	2.6
368.13947	4.2
369.13858	4.5
370.11417	2.6
370.12582	1.5
370.15674	8.1
371.12064	1.9
371.16254	3.2
372.12869	2.6
372.16904	5.3
373.13763	5.3
374.15170	1.9
380.13950	5.6
381.14447	2.8
382.11523	3.0
382.15942	2.5
383.12619	3.9
384.13162	12.0
384.17258	1.6
385.14072	4.8
385.18256	2.9
386.14905	3.9
396.13290	2.6
397.13766	5.8
398.15045	13.1
399.15744	6.2
400.16745	13.1
401.13391	2.1
402.14185	3.8
408.13373	2.7
409.09015	2.9
409.27341	8.7
410.15155	1.9
411.11905	1.6
412.12881	4.6
413.13550	1.6
414.18039	4.7
415.15500	1.6
416.16019	6.4
417.16599	3.3
426.14508	14.6
428.15985	12.7
442.18463	8.1
443.14490	2.6
444.15317	7.4
445.15952	2.4
454.13931	32.9
455.14148	3.1
458.16626	1.7
460.19333	13.0
468.15622	1.6
472.14981	100.0
473.15250	4.8
474.16568	17.2
479.05957	1.7
486.16400	4.1
489.89948	1.5
492.17633	54.3
493.17819	1.5
504.17560	33.9
505.14743	2.3
506.18936	2.2
522.18579	4.4
528.19617	1.9
579.22168	4.2
607.21985	14.6
608.21802	2.1
611.24921	8.8
625.13580	2.1
625.22919	33.3
626.23108	2.0
629.25842	3.5
639.24377	31.0
643.23090	4.1
657.25476	93.1
658.26196	6.7
675.25226	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	675.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01857	2.9
55.05511	18.0
61.02919	12.4
64.99455	2.6
67.05495	32.7
69.03419	14.6
69.07077	13.7
71.04967	7.0
71.70144	3.5
73.02901	5.6
79.05480	24.5
81.03407	30.8
81.07045	29.2
83.04964	10.1
83.08601	8.0
83.23113	2.2
85.02883	9.6
91.03925	3.3
91.05472	24.4
93.07038	27.0
93.24745	2.4
93.83413	2.1
95.04935	5.0
95.08604	19.4
97.02876	17.0
97.06517	7.6
97.10157	5.4
99.04414	3.6
105.07008	22.8
106.15561	2.2
107.04979	2.7
107.08579	13.2
109.02872	4.2
109.06489	5.7
109.10124	10.7
110.01250	2.4
111.08035	2.2
117.07002	10.9
119.08525	13.2
121.10129	10.6
123.11704	2.8
125.09625	2.9
126.12744	2.6
127.03891	6.1
128.06175	3.1
129.05444	4.3
129.06958	9.7
131.08525	15.1
132.23085	2.2
133.10141	19.8
135.11653	8.9
141.06929	3.4
142.07809	2.8
143.08519	9.5
145.10117	17.1
147.11646	6.9
149.13324	3.2
151.11176	5.5
155.08551	5.8
157.10098	9.4
159.08055	2.7
159.11662	10.9
161.13235	3.4
166.42044	2.3
167.08525	3.1
169.10109	10.3
171.11678	9.9
173.04510	11.8
173.13211	8.6
175.14894	2.5
181.10069	5.0
181.12279	2.4
183.11702	9.2
185.13240	8.1
195.11789	5.5
197.13235	4.8
199.14854	4.8
209.13213	5.4
211.14793	2.9
221.13313	3.9
223.14886	3.6
253.14563	2.6
259.20630	2.4
261.21997	2.8
273.18347	4.2
275.20001	4.3
280.39621	2.6
291.19452	6.3
335.25586	4.6
421.30881	11.3
439.32126	4.1
490.66519	2.4
495.34637	6.5
503.37421	5.6
510.91116	2.3
511.33954	4.7
513.35706	100.0
514.36169	3.0
515.37738	3.3
531.36926	3.2
555.36163	2.8
575.24304	2.5
621.36481	7.6
639.37268	12.6
657.38940	7.0
675.41083	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	676.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01842	3.0
55.05504	12.5
57.03424	5.3
57.07072	1.7
61.02911	4.8
64.98541	1.3
67.05490	26.4
69.03404	5.3
69.07055	11.4
71.04988	3.5
71.69477	2.5
73.02895	1.8
79.05479	18.3
81.03409	13.2
81.07047	39.7
83.04958	5.6
83.08620	8.3
85.02878	10.5
85.06526	3.1
87.00759	2.1
91.03936	3.3
91.05468	23.7
93.07024	19.6
95.04957	8.8
95.08585	16.4
97.02872	4.1
97.06514	4.7
97.10159	4.1
99.04461	2.9
99.08077	1.4
105.01803	2.3
105.07017	23.6
107.04942	5.7
107.08591	14.2
108.01271	1.6
109.02855	5.1
109.06509	4.6
109.10158	7.8
111.08044	2.0
115.05501	1.9
117.06979	8.1
119.08559	14.7
120.08070	2.1
121.06502	4.3
121.10127	10.4
123.04400	2.8
123.08115	3.4
123.11709	7.8
125.09647	3.4
127.03922	5.7
128.06252	1.7
129.07048	7.5
131.08562	12.6
133.06482	1.8
133.10103	8.0
135.08032	3.3
135.11665	4.5
136.07544	1.9
137.09581	2.3
139.03935	2.6
141.06999	1.6
143.08548	4.9
145.06480	2.7
145.10103	5.6
147.07986	4.7
147.11659	18.7
149.09567	3.1
149.13237	3.2
155.08464	2.9
157.10092	7.8
159.08003	2.0
159.11661	5.4
161.09639	1.9
165.12715	6.9
167.08525	1.9
169.10104	3.2
171.08020	1.4
171.11684	3.6
173.09688	1.5
175.11192	3.9
183.11690	2.3
184.07375	2.1
185.09538	1.8
185.13239	2.9
189.12706	2.0
193.12173	3.8
195.11617	1.9
197.13272	3.6
199.14751	2.0
207.11580	2.0
241.13493	2.1
253.19424	6.3
267.15826	12.4
269.12482	1.9
269.17416	2.4
290.09598	1.6
307.16623	1.6
341.24719	3.9
351.23001	3.7
359.25858	2.5
369.24377	8.5
387.25446	8.7
405.25891	2.0
415.28543	2.5
425.03549	1.5
428.31512	2.3
433.29410	2.9
443.27838	17.3
458.32385	3.7
461.28922	100.0
462.29178	5.0
471.18851	1.6
479.29944	22.2
485.29269	2.2
514.35211	3.1
626.22302	3.5
656.59430	1.6
676.40454	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	676.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01850	0.7
55.05499	2.7
57.03423	2.8
60.18449	0.3
61.02913	0.7
67.05492	8.6
69.03409	0.8
69.07050	3.0
71.04973	0.9
73.02929	0.6
79.05478	5.7
81.03402	8.9
81.07042	12.1
82.07372	0.3
83.04968	2.6
83.08604	4.3
85.02893	3.5
85.06524	0.6
90.15204	0.3
90.41132	0.3
91.03935	0.4
91.05462	5.7
91.06023	0.3
93.07030	7.9
95.04939	3.9
95.08587	2.8
95.88139	0.3
97.02873	0.6
97.06517	1.4
97.10141	0.7
98.21423	0.6
105.07006	2.9
107.04934	1.2
107.08573	3.9
109.06496	1.0
109.10123	0.8
111.08052	1.7
113.05991	0.5
117.07020	1.3
119.08572	2.5
121.06463	0.3
121.10122	2.9
123.08054	0.4
123.11673	0.4
129.06987	1.3
131.08551	2.2
133.06522	0.5
133.10103	1.9
135.11641	0.8
142.26237	0.3
145.10178	0.4
147.08005	0.5
147.11662	1.5
149.09621	0.9
149.13222	3.3
151.11127	0.4
157.10059	1.7
159.11656	1.4
163.11163	0.3
165.12830	0.4
175.11139	1.8
177.12755	0.7
193.12218	4.8
195.13843	1.1
211.13257	8.2
211.15150	0.5
234.68423	0.3
267.15845	4.3
269.17416	11.7
285.16898	6.0
310.87442	0.3
344.48987	0.3
400.15140	0.4
413.15894	0.6
414.16431	0.7
415.17343	0.3
416.18295	0.5
417.14978	0.4
425.15927	0.4
428.18417	0.5
429.19406	0.7
430.15952	1.1
431.16467	1.0
440.18652	0.3
441.14798	0.6
442.14905	0.6
442.19614	1.4
443.16943	0.8
444.17880	1.8
445.18375	1.6
446.18964	2.6
447.19406	0.4
453.15094	0.8
454.15887	1.2
455.16870	0.5
456.12997	0.6
456.17987	0.7
457.14734	1.3
457.19711	0.5
458.14825	1.4
458.19443	1.1
459.19946	0.4
461.28867	8.9
461.34970	0.6
462.29391	0.4
468.13388	1.1
468.18207	0.6
469.14642	1.7
469.19186	0.5
470.14511	3.2
471.15295	2.0
472.16727	3.4
473.17612	2.1
474.17996	0.7
476.20227	0.6
479.29971	16.0
480.14240	0.7
480.30539	0.6
481.14050	2.2
482.15100	3.8
483.16086	4.4
484.16867	5.0
485.17929	2.2
486.18741	4.2
487.18503	1.3
488.20691	0.3
489.17224	0.3
495.16470	1.8
496.16846	11.8
497.17532	8.3
498.18381	11.5
499.18658	3.8
500.14999	0.5
500.20737	0.6
501.17288	1.3
503.18869	0.5
504.19547	0.5
510.18695	0.7
511.19199	0.7
512.19806	1.1
513.18353	0.6
514.17566	2.0
515.18304	1.0
516.19464	0.6
517.19312	0.5
529.16888	0.9
530.20502	0.6
532.18738	0.7
537.19562	0.5
542.17651	0.5
543.18237	0.7
544.22766	0.4
555.18970	1.1
556.18744	10.3
557.18536	2.7
558.20490	1.0
559.20764	0.5
568.19073	0.5
570.21344	0.4
574.23853	3.6
575.22974	0.3
584.21924	1.2
585.22308	0.5
587.22797	0.5
602.23340	0.5
612.21613	0.5
617.21887	0.6
618.22559	3.1
619.22223	0.7
628.20844	0.3
630.22821	0.4
644.24207	4.9
645.24670	2.0
646.22186	2.2
647.21753	0.7
658.25787	0.9
661.24414	4.7
662.24365	1.1
676.26770	100.0
677.26648	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	676.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01863	3.7
55.05510	9.7
56.15588	1.8
57.03411	4.2
61.02917	4.4
63.74109	1.8
67.05494	28.7
69.03403	6.0
69.07060	8.6
71.04985	4.3
71.70322	3.4
72.08099	2.0
73.02901	3.2
78.20582	1.5
79.05480	20.2
81.03402	11.3
81.07045	34.7
83.04959	6.5
83.08604	9.6
84.08099	2.8
85.02902	12.5
85.06509	5.2
87.00793	2.3
91.03969	2.7
91.05470	21.3
93.07041	21.9
95.04942	9.0
95.08607	16.2
97.02876	5.0
97.06511	4.5
97.10149	3.2
99.04453	2.5
101.06017	2.4
105.07012	20.4
106.44588	1.7
107.04936	5.1
107.08587	15.5
109.02881	5.0
109.06506	6.1
109.10114	9.4
109.25033	2.0
109.25816	1.7
117.07005	4.9
119.08559	13.6
120.08067	2.9
120.08866	2.1
121.06497	3.0
121.10113	11.9
122.09650	2.3
123.04404	4.2
123.08057	6.0
123.11690	7.4
125.09631	3.7
127.03871	4.8
128.06235	2.0
129.07008	7.0
131.08546	9.6
133.10083	10.3
135.07994	4.0
135.11656	3.1
137.09602	2.2
139.03882	2.8
143.08536	6.1
145.06505	2.9
145.10124	6.9
147.08040	4.1
147.11650	18.0
149.09573	4.4
149.13219	3.8
155.08508	2.7
157.10066	9.0
159.08034	1.9
159.11667	6.1
161.09604	4.3
165.09073	2.4
165.12744	6.5
169.10115	4.9
171.08083	2.2
171.11685	3.4
175.07452	1.9
175.11156	3.3
181.04836	1.7
181.10115	2.7
183.11707	3.4
184.07162	2.2
185.13263	2.7
187.14833	2.8
193.12196	3.4
195.11673	2.4
197.13104	2.0
198.18517	3.6
209.13231	2.3
253.19482	5.0
267.15762	11.9
351.23203	4.6
369.24246	11.2
387.25430	8.8
405.26285	2.0
410.27399	2.0
422.22519	2.1
433.29214	2.6
435.83984	2.0
443.27893	12.7
461.28940	100.0
462.29114	4.6
479.30130	22.8
485.29016	2.2
491.29544	2.7
503.29733	3.7
514.34930	3.0
553.81396	2.0
587.31702	2.4
641.24847	2.5
676.40503	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	676.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01850	0.7
55.05499	2.7
57.03423	2.8
60.18449	0.3
61.02913	0.7
67.05492	8.6
69.03409	0.8
69.07050	3.0
71.04973	0.9
73.02929	0.6
79.05478	5.7
81.03402	8.9
81.07042	12.1
82.07372	0.3
83.04968	2.6
83.08604	4.3
85.02893	3.5
85.06524	0.6
90.15204	0.3
90.41132	0.3
91.03935	0.4
91.05462	5.7
91.06023	0.3
93.07030	7.9
95.04939	3.9
95.08587	2.8
95.88139	0.3
97.02873	0.6
97.06517	1.4
97.10141	0.7
98.21423	0.6
105.07006	2.9
107.04934	1.2
107.08573	3.9
109.06496	1.0
109.10123	0.8
111.08052	1.7
113.05991	0.5
117.07020	1.3
119.08572	2.5
121.06463	0.3
121.10122	2.9
123.08054	0.4
123.11673	0.4
129.06987	1.3
131.08551	2.2
133.06522	0.5
133.10103	1.9
135.11641	0.8
142.26237	0.3
145.10178	0.4
147.08005	0.5
147.11662	1.5
149.09621	0.9
149.13222	3.3
151.11127	0.4
157.10059	1.7
159.11656	1.4
163.11163	0.3
165.12830	0.4
175.11139	1.8
177.12755	0.7
193.12218	4.8
195.13843	1.1
211.13257	8.2
211.15150	0.5
234.68423	0.3
267.15845	4.3
269.17416	11.7
285.16898	6.0
310.87442	0.3
344.48987	0.3
400.15140	0.4
413.15894	0.6
414.16431	0.7
415.17343	0.3
416.18295	0.5
417.14978	0.4
425.15927	0.4
428.18417	0.5
429.19406	0.7
430.15952	1.1
431.16467	1.0
440.18652	0.3
441.14798	0.6
442.14905	0.6
442.19614	1.4
443.16943	0.8
444.17880	1.8
445.18375	1.6
446.18964	2.6
447.19406	0.4
453.15094	0.8
454.15887	1.2
455.16870	0.5
456.12997	0.6
456.17987	0.7
457.14734	1.3
457.19711	0.5
458.14825	1.4
458.19443	1.1
459.19946	0.4
461.28867	8.9
461.34970	0.6
462.29391	0.4
468.13388	1.1
468.18207	0.6
469.14642	1.7
469.19186	0.5
470.14511	3.2
471.15295	2.0
472.16727	3.4
473.17612	2.1
474.17996	0.7
476.20227	0.6
479.29971	16.0
480.14240	0.7
480.30539	0.6
481.14050	2.2
482.15100	3.8
483.16086	4.4
484.16867	5.0
485.17929	2.2
486.18741	4.2
487.18503	1.3
488.20691	0.3
489.17224	0.3
495.16470	1.8
496.16846	11.8
497.17532	8.3
498.18381	11.5
499.18658	3.8
500.14999	0.5
500.20737	0.6
501.17288	1.3
503.18869	0.5
504.19547	0.5
510.18695	0.7
511.19199	0.7
512.19806	1.1
513.18353	0.6
514.17566	2.0
515.18304	1.0
516.19464	0.6
517.19312	0.5
529.16888	0.9
530.20502	0.6
532.18738	0.7
537.19562	0.5
542.17651	0.5
543.18237	0.7
544.22766	0.4
555.18970	1.1
556.18744	10.3
557.18536	2.7
558.20490	1.0
559.20764	0.5
568.19073	0.5
570.21344	0.4
574.23853	3.6
575.22974	0.3
584.21924	1.2
585.22308	0.5
587.22797	0.5
602.23340	0.5
612.21613	0.5
617.21887	0.6
618.22559	3.1
619.22223	0.7
628.20844	0.3
630.22821	0.4
644.24207	4.9
645.24670	2.0
646.22186	2.2
647.21753	0.7
658.25787	0.9
661.24414	4.7
662.24365	1.1
676.26770	100.0
677.26648	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	677.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65186	1.1
61.72315	0.9
67.05493	4.0
69.03425	2.9
69.07063	1.4
69.71638	2.1
69.72043	7.0
70.06571	2.1
79.05473	2.7
81.03427	2.9
81.07040	6.0
83.08599	1.4
85.02882	3.8
86.97286	1.3
91.05460	3.3
93.07027	2.1
95.08592	3.1
97.02875	2.2
97.06486	1.1
99.04457	1.4
105.01764	1.2
105.07024	3.8
107.08581	2.4
109.02851	1.8
109.06506	1.7
109.10149	2.1
119.08591	3.2
120.08072	1.4
121.10157	1.8
122.09700	1.2
123.04387	1.7
127.03905	2.1
131.08575	2.6
133.10094	1.7
135.11624	1.2
137.05951	1.3
145.06485	1.1
151.06279	1.1
151.07474	2.0
157.10094	3.2
159.08083	1.4
159.11658	1.5
161.13243	1.1
171.11742	1.3
174.41328	1.1
185.13246	1.4
236.74329	1.0
253.19571	4.1
316.62531	1.2
382.17691	1.3
386.38644	1.3
387.15643	1.5
388.15665	1.4
389.16183	3.6
399.14456	1.3
402.12582	1.4
402.17355	1.5
403.17990	1.6
404.18655	2.0
411.28772	1.3
415.14011	1.3
416.15039	1.6
417.15515	4.0
421.18839	2.0
428.14621	1.8
429.15643	8.2
430.16360	2.4
431.17685	6.8
432.18106	3.6
442.16263	2.9
443.17236	3.7
444.18253	9.2
445.14478	1.6
445.19440	1.7
447.16989	1.7
455.13589	3.2
456.14047	1.3
457.19052	1.2
458.12054	1.8
458.19431	1.6
459.16440	5.5
460.17618	1.9
462.29071	1.5
470.15768	29.6
471.16364	7.0
472.13614	1.7
475.19778	1.2
482.12195	2.8
486.15375	1.8
487.15948	7.8
488.16766	2.4
490.22308	2.5
497.14221	12.2
498.15247	4.8
499.16016	1.4
501.17865	3.1
502.18399	34.0
503.18524	4.0
511.16962	1.7
515.15387	7.6
518.22003	7.1
529.17236	2.7
530.18079	3.7
546.21191	1.9
574.20538	4.6
575.21039	1.8
576.22015	4.6
589.23364	1.4
602.19916	2.3
606.23260	2.1
616.21490	11.2
617.21948	1.9
627.22803	1.8
631.24408	3.5
634.22540	25.5
635.23340	28.4
636.23395	1.9
645.23663	1.9
677.24420	100.0
678.24506	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	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01864	4.7
55.05499	3.7
55.05912	1.3
57.03423	3.8
63.85048	1.3
65.03913	2.2
67.05491	12.1
69.03424	18.0
69.07057	3.2
70.06573	2.6
70.22096	5.6
71.04989	2.0
73.02907	2.6
79.05482	10.1
80.05001	2.2
81.03410	16.5
81.05801	1.8
81.07047	17.4
83.04960	6.7
84.46906	1.5
85.02891	29.4
85.06527	4.9
87.00809	9.4
91.05470	13.4
93.05762	1.6
93.07037	15.1
94.06552	9.1
95.04960	7.2
95.07334	5.1
95.08591	10.1
96.08113	13.7
97.02869	7.4
97.06518	2.5
97.18752	1.4
99.04440	6.3
101.05983	8.4
103.05460	2.3
105.01853	8.5
105.07016	12.9
106.06573	2.2
107.08579	10.5
108.04472	3.9
108.08101	13.7
109.02859	24.1
109.06491	4.8
109.10139	11.3
110.09668	22.8
117.06998	4.2
119.08551	9.5
120.08087	18.1
121.06477	3.4
121.10123	11.5
122.06013	4.5
123.04432	12.3
123.08035	3.1
123.11697	3.8
124.07473	1.7
125.09644	1.9
127.03901	22.4
129.01851	1.9
129.06976	5.2
131.08530	10.9
133.10104	11.6
135.11694	2.1
136.07545	7.5
137.05893	2.3
137.09573	2.6
138.05518	1.5
138.09126	25.5
141.09108	3.7
142.07767	5.7
143.08559	8.7
145.04939	8.0
145.10088	11.2
147.11656	14.2
148.07524	4.8
149.13199	2.0
151.03886	2.2
151.11133	1.6
152.07030	2.5
155.08543	3.9
157.10094	30.5
159.02893	7.3
159.11687	14.4
160.03934	1.7
161.09546	2.6
161.13191	3.5
162.05482	1.8
163.03845	2.5
163.11154	1.5
164.07118	2.3
165.09103	15.8
166.08611	29.5
169.10158	3.1
171.11670	10.9
172.03944	3.3
172.07529	1.4
173.13255	4.9
174.09128	1.9
179.10609	11.9
181.12248	1.5
183.11668	4.4
185.13268	3.2
186.09067	1.6
197.13144	6.6
199.08675	5.5
199.14803	2.4
204.06575	2.9
209.10890	1.4
209.13283	2.2
211.08620	4.6
211.14735	7.3
212.05978	1.3
212.09361	1.8
213.04236	1.7
213.06563	5.6
213.10187	3.2
213.16273	10.1
223.08679	3.0
224.09286	1.9
225.06587	6.1
225.10219	5.7
225.16376	1.7
226.08839	1.5
226.10947	1.6
227.08134	3.8
227.11557	2.0
227.17953	1.8
229.19597	3.8
231.04965	7.0
235.08632	3.0
236.09479	2.5
237.10249	8.6
238.10898	2.9
238.17337	1.6
239.08066	6.8
239.11719	3.1
240.12617	2.2
241.13428	1.8
243.11441	2.3
249.10162	7.6
249.16417	1.7
250.11101	3.1
251.08150	6.7
251.11781	8.3
251.17856	2.8
252.08792	2.0
253.09644	3.4
253.19482	100.0
254.10562	1.7
255.11362	3.0
255.21088	4.4
261.10126	1.9
262.11166	1.5
263.07892	2.8
263.11755	3.2
265.09750	5.6
265.13235	2.9
267.11322	5.0
269.12802	3.6
269.18991	1.9
271.10736	2.5
271.14304	2.1
271.20612	12.2
273.12289	1.8
274.33737	1.4
277.09711	2.4
277.12885	1.5
279.11212	5.9
279.21024	2.3
281.09262	2.1
281.12976	2.7
283.10654	4.9
285.12384	4.7
293.09216	3.3
295.10629	1.9
297.12445	5.5
300.11377	1.7
301.13126	1.5
309.12299	4.6
311.14096	1.7
313.12012	2.7
314.12772	4.3
314.16306	2.3
314.86328	1.6
316.14557	1.7
323.10172	2.8
327.13455	4.4
328.14249	1.9
329.11398	2.7
330.12454	5.5
337.25339	1.8
342.12372	2.4
343.13452	1.9
344.14020	4.5
356.14017	3.2
358.11636	1.9
358.15683	2.9
360.17041	1.9
361.14127	2.9
369.14691	2.1
370.15652	1.9
371.12448	2.9
372.13263	2.3
372.17316	1.9
373.14130	4.8
374.14755	2.0
375.26672	3.1
382.15591	1.7
386.14792	3.7
387.15637	3.3
388.16623	2.7
389.13632	3.0
393.27866	12.5
400.16653	3.9
403.15659	1.9
411.28806	13.9
416.15918	8.5
418.17426	5.6
428.16080	3.6
429.18997	2.9
429.29926	3.9
430.17389	4.5
432.15512	1.7
434.17102	8.6
436.18887	2.7
438.14124	2.0
444.15399	12.7
446.16934	11.9
452.18173	2.6
456.15500	5.6
462.16458	30.2
474.16507	26.9
480.17450	17.3
488.18237	2.1
492.17511	8.0
494.19092	14.0
506.19073	19.7
512.13177	2.5
512.20233	32.0
512.26544	1.2
519.25677	12.5
524.20251	31.5
581.23969	3.5
599.24750	9.7
609.23346	10.1
627.24432	36.8
631.27045	2.1
641.25684	14.8
645.25378	16.9
659.24896	13.1
659.34692	6.1
677.27570	3.5
680.95978	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
53.38186	1.0
54.55135	0.8
55.01870	5.4
55.02081	0.9
55.05486	2.8
55.45487	0.8
57.03421	3.0
59.04998	0.9
59.85859	0.8
61.02901	1.4
67.05487	8.5
68.99823	0.9
69.03100	1.3
69.03422	14.5
69.07033	2.2
69.34669	1.4
69.35078	10.5
71.04967	3.0
71.62531	0.9
73.02887	3.3
76.30144	1.0
79.05467	8.7
80.04976	1.0
81.03406	15.9
81.07046	11.2
83.04945	2.3
85.02891	27.6
85.06505	1.9
87.00811	12.2
91.05456	10.5
93.05749	2.8
93.07026	13.3
94.06536	2.0
95.04935	3.3
95.08588	7.6
97.02871	6.8
97.06478	1.5
99.04443	6.2
99.08067	1.1
101.68900	0.9
103.05414	1.1
105.01847	8.4
105.07014	13.7
107.04938	1.8
107.08573	8.6
108.08108	10.7
109.02865	17.2
109.06480	1.5
109.10140	9.3
110.06065	0.9
110.09647	3.3
111.33678	0.9
113.05966	1.3
115.03904	1.1
117.01835	2.4
117.06992	3.6
118.06519	1.6
119.08548	6.8
120.08101	5.9
121.06495	1.1
121.10122	10.8
122.06041	1.3
122.09645	4.7
123.04362	1.9
123.08026	1.0
123.11686	1.8
125.06017	0.9
127.03892	25.9
128.06189	1.8
129.01808	2.5
129.06960	6.0
130.07715	1.4
131.08510	8.2
133.10114	11.8
135.04124	1.0
135.07996	1.0
135.11644	2.6
136.07556	70.2
137.05937	1.1
137.09567	1.5
138.09100	1.4
139.03931	1.0
141.06902	1.3
141.09047	1.7
142.07744	4.1
143.08521	10.6
144.08028	1.5
144.09293	1.1
145.04912	9.0
145.10085	12.8
147.02885	1.3
147.11667	16.2
148.07547	2.0
149.13200	1.8
152.07057	2.2
155.08492	4.7
157.10107	32.6
159.02858	11.0
159.11658	14.3
160.11220	2.3
161.09595	1.0
161.13248	4.5
164.07033	24.9
165.09090	3.7
166.08640	7.1
166.96526	0.9
169.10094	4.0
171.11684	9.1
173.13203	3.5
177.12657	1.0
179.10643	2.2
181.10033	1.2
183.09048	1.3
183.11630	4.6
185.13200	3.3
186.11194	1.0
187.14780	1.1
195.11771	1.0
197.07080	13.8
197.10722	2.6
197.13194	6.8
198.11349	1.5
199.08562	2.0
199.14751	1.3
203.11880	1.4
204.02814	1.1
209.10619	1.6
209.13184	1.7
210.11378	1.6
211.08629	9.2
211.12170	1.1
211.14726	4.6
212.09317	1.8
213.10236	1.8
213.16341	2.9
223.08554	1.2
224.09361	2.8
224.15643	1.1
225.06554	21.3
225.10117	9.8
225.13878	2.0
225.16306	3.3
226.07097	1.2
226.10797	1.1
227.08131	3.7
227.11650	2.2
227.15349	1.6
229.09760	1.3
231.05058	6.9
235.08546	1.2
238.10928	1.1
238.16902	1.2
239.04480	1.9
239.08115	22.8
239.11726	2.5
240.08694	1.3
240.12384	1.4
241.09665	1.5
241.13252	2.9
242.14095	2.1
243.07587	2.5
245.13202	1.2
249.06181	1.1
251.11668	1.7
251.17915	3.5
253.05992	3.2
253.09703	11.7
253.13358	3.7
253.19475	100.0
254.11870	1.2
255.07683	4.2
255.11234	2.9
255.14790	2.2
255.21057	3.6
257.09119	7.7
265.09653	1.7
267.04938	1.8
267.07602	23.6
267.10709	1.4
268.08047	1.3
269.09290	1.4
269.18835	1.1
271.10742	3.1
271.14203	1.9
271.20532	14.1
273.08679	1.3
273.15878	13.4
279.11429	1.3
281.05527	7.5
281.09134	21.2
281.12735	9.5
283.10742	3.1
285.08646	3.8
285.11826	1.4
291.07501	1.4
295.07080	5.8
295.10449	2.1
297.12280	1.4
299.06503	2.8
299.10175	9.4
299.13828	8.7
301.11868	1.7
307.10742	1.3
309.08655	37.1
311.10278	6.4
313.08392	1.7
313.11844	2.7
327.09702	44.6
328.10165	1.6
329.11087	3.4
335.23480	1.7
337.08139	11.1
341.11060	1.3
345.10837	5.6
348.15961	1.2
355.09183	71.5
356.09537	2.3
361.13986	2.2
369.10779	8.0
373.10178	33.6
374.10297	1.3
375.26987	1.1
387.11792	86.2
388.12024	2.2
393.27777	7.5
411.28683	3.3
420.18845	2.2
432.19351	1.5
448.18341	1.7
464.18094	10.8
476.18179	9.8
496.20728	6.9
508.20624	3.3
519.25800	9.9
520.20087	1.3
545.23871	1.0
583.25775	4.5
601.28168	2.3
609.22723	3.8
627.24347	20.2
628.24237	1.9
641.24921	1.2
645.25043	1.8
651.06439	1.0
659.33795	4.3
677.35706	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03707	0.4
51.24578	0.4
55.01852	0.9
55.05499	0.8
57.25459	0.5
60.85152	0.5
67.05479	1.4
69.03395	0.7
69.07080	0.7
69.55269	3.5
69.55676	1.3
70.06564	1.3
72.08121	1.3
79.05476	0.5
80.04977	0.6
81.03405	0.8
81.07029	1.5
84.08139	0.8
85.02884	0.8
91.05459	0.5
93.07008	0.7
94.06538	0.7
95.04912	0.9
95.08544	0.5
96.08134	0.8
97.02895	0.9
98.21477	0.8
103.05428	0.5
107.04930	0.9
108.04453	3.3
108.08092	1.8
109.02885	0.7
109.10133	0.6
110.06017	0.6
119.04903	1.3
120.08081	1.6
122.05994	1.0
122.09579	0.4
123.04416	6.3
124.07581	0.6
127.03888	1.7
135.04362	2.4
136.07549	2.8
137.05919	0.8
138.05403	0.7
138.09094	1.2
139.03874	7.3
140.07043	1.0
146.05992	1.8
147.04395	3.3
148.07521	1.9
150.05492	0.8
150.09091	0.7
151.03868	9.7
160.93672	0.5
163.03929	3.6
164.07111	0.6
165.05478	1.6
166.04958	0.9
168.06555	3.6
172.03914	1.7
174.05443	1.3
177.05402	2.4
177.09058	0.5
179.03264	0.7
181.08572	2.3
196.30649	0.5
197.10614	0.9
198.09381	0.6
199.08672	1.4
204.06511	2.4
206.08243	1.5
207.10081	0.6
211.08643	5.6
211.12213	1.3
212.09189	2.3
213.10130	2.2
219.10144	10.8
221.10744	1.7
222.09161	1.1
223.08929	0.7
224.09021	0.8
224.10739	1.7
225.10040	6.1
226.10886	1.1
227.08109	1.9
227.11722	1.5
231.06340	0.6
237.10240	1.4
238.11029	1.2
239.08078	0.6
239.11743	10.4
240.08714	1.1
240.12497	1.2
241.09642	3.2
241.13330	1.4
242.10416	1.0
243.11307	1.6
249.10234	1.6
250.08673	1.1
250.10989	0.6
251.07986	1.1
251.11800	1.5
252.08943	1.9
252.12723	0.6
253.09648	6.1
254.10437	0.9
255.11191	2.6
256.12024	2.0
257.12894	2.6
265.09940	1.4
267.08197	0.9
267.11240	12.9
268.11884	0.7
269.09280	0.9
269.12817	2.1
273.12320	0.8
275.13876	1.9
277.09854	1.0
279.11252	0.8
281.08969	0.7
283.06012	1.1
283.10709	1.4
285.12286	2.8
287.05533	0.6
287.10172	0.5
287.13730	0.8
293.09167	2.1
295.10767	6.0
297.12195	2.9
299.10068	0.9
301.07224	0.5
301.11569	0.8
303.13324	0.9
305.15057	0.8
307.10550	0.6
309.12259	0.7
313.11755	35.8
314.12234	1.4
315.13272	0.7
323.10233	1.9
325.11725	2.3
327.08517	0.7
327.13217	0.9
341.11261	15.5
342.12320	2.3
343.11783	2.4
344.13821	0.5
345.14151	0.5
347.93039	0.5
353.11060	2.9
353.15076	0.6
355.12973	3.0
356.13745	1.0
357.14539	0.6
358.15689	0.6
359.12329	5.7
369.13611	0.6
371.14978	4.8
373.13873	100.0
374.14355	2.1
385.08899	1.5
385.14105	1.6
387.14224	2.3
398.14932	0.8
411.12537	2.0
414.14294	0.8
415.15320	0.7
429.13177	2.6
432.15219	0.6
435.17841	1.0
436.18402	0.6
462.16638	0.8
463.13641	0.9
474.16684	2.3
482.18665	0.5
486.16415	2.0
506.18820	0.9
507.16324	0.6
512.20032	2.9
517.26941	0.5
518.19067	2.3
520.20850	0.9
530.21204	1.5
583.25421	1.0
599.24536	0.8
609.23163	1.8
627.24438	8.9
628.25671	0.8
641.26050	3.2
645.25586	2.9
659.16193	0.9
659.26923	13.2
660.27380	0.7
677.28412	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	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01849	3.8
55.05499	4.0
57.03420	3.3
58.56896	1.1
61.02905	1.7
64.49726	1.1
67.05495	13.5
68.99772	1.3
69.03417	18.5
69.07064	3.1
70.18392	6.8
71.04982	4.2
73.02887	3.5
79.05475	12.0
80.04996	2.0
81.03407	20.4
81.05793	1.6
81.07044	16.9
82.06578	2.5
83.04939	2.5
83.08596	2.5
85.02896	26.7
87.00817	11.2
91.05468	13.9
93.05745	2.2
93.07030	20.3
94.06557	15.3
95.04950	6.6
95.07333	16.5
95.07919	1.9
95.08578	9.9
96.08121	25.5
97.02877	8.7
97.06508	6.2
99.04439	5.5
103.05458	2.8
105.01831	7.6
105.06991	11.8
106.06514	1.4
107.08559	11.0
108.04450	7.1
108.08113	15.0
109.02856	15.0
109.06513	7.8
109.08926	1.6
109.10139	9.4
110.09666	46.9
115.05386	1.9
117.01860	2.4
117.06985	3.6
118.06526	1.5
119.07363	1.1
119.08552	6.9
120.04456	8.4
120.08088	30.9
121.06478	2.3
121.10107	12.0
122.06021	5.0
122.09663	2.0
123.04451	1.6
123.06786	1.5
123.08047	1.6
123.11694	3.7
124.07590	3.2
127.03909	23.8
128.06207	2.0
129.01807	1.8
129.05447	2.2
129.06958	6.3
131.08548	11.4
133.10118	13.0
134.06029	1.8
135.11674	2.8
136.07556	7.9
137.06007	1.7
138.09116	57.7
139.09355	1.4
141.06941	1.7
142.07748	3.6
143.08516	10.4
144.08003	1.6
145.04959	6.6
145.09052	2.2
145.10097	13.1
146.05992	2.3
147.11671	21.3
148.07538	7.4
149.13216	2.4
151.03934	1.4
151.07504	3.4
155.08504	3.8
157.10106	32.9
159.02885	7.2
159.08011	1.2
159.11679	17.7
161.13245	5.0
162.05524	1.8
164.07056	1.7
165.09120	1.8
166.08617	46.5
168.09094	1.5
169.10132	4.3
171.11673	9.2
172.03949	2.6
173.13232	4.1
175.11107	1.3
183.11693	4.8
185.13263	3.6
187.14960	1.6
195.11728	1.5
197.13255	7.5
199.08636	3.4
204.06589	4.7
209.10899	1.5
209.13165	1.7
211.08633	3.7
211.14804	5.2
212.09424	1.8
213.10228	2.6
221.10771	1.6
223.08733	3.3
223.12193	1.8
224.09370	2.2
224.15665	2.0
225.06668	2.6
225.10176	6.2
225.16336	2.3
226.10950	1.4
227.08200	2.6
227.11815	3.6
231.05003	5.4
235.08629	1.5
236.09441	5.0
237.10190	7.7
238.11031	2.0
238.17099	2.0
239.08098	2.0
239.11745	8.0
241.09697	2.6
241.13304	2.4
243.11398	2.1
245.12752	2.5
249.10207	12.9
250.10843	6.5
251.08157	3.0
251.11763	21.0
251.17929	2.5
252.12561	3.6
253.09647	5.8
253.13484	4.0
253.19482	100.0
255.11325	2.5
255.21118	2.3
261.10385	1.3
262.10687	1.2
263.11859	6.0
264.12619	1.3
265.09720	3.8
265.13330	3.5
266.10806	1.4
267.11246	4.1
269.09842	1.3
269.12827	24.8
271.20517	10.5
273.12387	2.4
277.09729	1.5
279.11356	3.9
280.12143	1.4
281.09534	2.0
281.12671	2.7
283.10864	4.6
285.12253	3.0
290.13144	2.0
291.11035	1.7
295.10870	3.7
297.12357	8.5
298.13171	1.7
299.13876	3.7
300.15070	1.7
301.11911	1.7
302.12997	2.8
307.10651	1.7
309.12323	4.1
311.10294	1.8
311.13919	2.8
312.11679	1.4
313.11966	3.7
314.12964	3.1
314.16537	4.6
315.13779	2.4
316.14484	5.1
319.13184	1.9
325.11761	3.0
326.16425	2.3
327.13809	2.0
328.14526	3.2
329.11795	2.0
330.12262	4.1
330.16110	3.7
341.11301	2.2
341.15250	2.3
342.12253	2.8
342.16013	2.5
343.13181	2.4
344.13806	7.4
345.14871	2.7
346.15414	3.7
354.15961	2.5
356.13815	4.8
356.17776	1.9
357.14740	3.3
358.15619	5.4
359.16342	2.7
360.17035	3.5
362.15009	1.5
368.14154	1.4
369.14911	1.4
371.16312	3.1
372.17209	4.2
373.14029	6.8
374.14914	3.0
382.15607	2.6
384.17224	6.0
386.14911	6.8
387.15802	5.6
388.16574	6.1
389.13159	1.4
393.27731	2.7
398.14822	1.5
400.16617	11.3
402.18167	5.5
403.15482	1.5
404.16022	1.6
406.17816	3.0
414.13943	1.5
416.16031	25.2
417.16907	1.3
418.17786	6.5
421.15909	1.3
428.16110	9.8
430.17645	3.2
434.16971	29.2
436.18497	3.6
444.15167	2.2
444.28223	1.7
446.17053	56.6
447.16879	2.4
448.18716	3.3
452.18158	4.8
456.15552	2.3
460.18896	1.6
461.28973	2.6
462.16159	6.6
462.29239	6.4
464.18280	8.5
474.16196	6.8
476.17191	1.4
480.17319	6.2
480.30164	2.0
488.18024	1.6
494.19095	5.5
506.19080	7.8
512.20172	19.2
519.25580	6.8
524.20227	4.2
553.24280	4.1
571.25366	2.3
581.23737	14.9
583.25433	2.6
599.24902	47.7
600.25647	1.5
609.23242	4.4
617.25714	10.6
627.24390	16.4
628.23755	1.3
641.25763	4.4
645.25415	44.0
659.26794	7.0
677.27985	45.2
678.28290	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	677.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01855	2.1
57.03421	2.3
65.64260	2.1
67.05491	8.5
69.03416	6.6
69.07044	2.8
70.06592	2.8
73.67269	2.3
78.13567	2.0
79.05473	9.7
80.05013	6.6
81.03426	11.0
81.07039	6.7
81.45412	2.3
82.06581	3.7
84.36474	2.4
85.02896	9.4
87.00814	4.0
91.05469	13.7
93.07016	21.6
94.06564	24.0
95.04961	8.8
95.07332	22.2
95.08593	8.2
96.08110	42.2
97.02863	4.2
97.06507	4.7
98.98517	2.7
103.05450	3.9
105.07008	8.2
107.08572	4.6
108.04427	11.3
108.08097	29.9
109.02873	8.6
109.08880	4.7
109.10113	3.6
110.09655	74.6
119.08569	3.2
120.04441	16.1
120.08076	55.8
121.06490	4.2
121.10124	5.4
122.06006	7.5
122.09654	2.5
123.06798	3.1
124.07558	3.9
127.03897	8.9
128.08264	2.6
129.06950	3.1
131.08553	3.8
133.10106	6.6
134.05977	4.4
136.07520	15.7
137.09651	2.2
138.09113	85.2
142.07840	2.6
143.08505	5.7
145.04985	2.6
145.10101	6.0
146.05977	4.1
147.11668	6.3
148.07585	10.5
152.07042	2.9
157.10117	11.5
159.02937	3.1
159.11679	7.1
160.11264	2.6
161.09676	2.9
161.13225	2.2
164.07001	2.9
165.09103	2.8
166.08609	79.9
167.07104	2.5
169.10098	3.6
171.11636	4.9
172.03986	3.5
175.11176	3.0
197.13199	2.5
204.06549	7.4
209.10791	2.8
211.08653	7.7
211.14749	2.9
213.10213	4.7
213.16284	2.7
216.13686	3.1
223.08559	3.6
223.12390	3.5
224.09251	3.4
225.06548	6.7
225.10304	11.0
226.11078	3.3
227.11790	3.8
231.04970	3.6
235.08638	5.8
236.09412	7.4
237.10219	13.3
238.10997	6.0
239.08170	5.1
239.11678	10.9
241.09749	5.1
241.13312	4.5
243.11166	2.9
245.12949	2.6
249.10123	21.1
250.11009	8.1
251.07954	4.9
251.11746	33.9
252.12547	7.3
253.09718	7.6
253.13359	6.6
253.19498	33.8
255.21091	3.7
261.10211	4.3
263.11761	11.0
264.12482	3.7
265.09451	5.1
265.13290	3.8
266.10501	3.7
267.11298	7.5
269.12842	44.1
271.20462	11.2
273.12543	2.9
277.09717	3.2
279.11426	4.5
280.12054	3.0
281.09012	2.4
283.10684	6.5
285.12424	7.3
295.10690	3.7
297.12454	12.9
297.15158	2.6
299.13922	3.4
302.12878	3.4
303.13229	3.1
304.14722	2.5
309.12244	5.5
311.13916	3.5
313.11981	6.6
314.13159	3.8
314.16437	10.8
316.14423	6.3
317.13916	4.5
318.12634	3.5
323.10269	2.8
325.12064	3.7
326.16531	3.7
327.13638	6.7
328.14551	3.9
329.11700	3.5
330.12238	5.9
330.15884	7.5
331.13095	2.9
339.13284	3.3
342.12259	4.0
342.15936	4.0
343.12991	3.8
344.13843	9.6
345.15045	4.4
346.15683	5.2
355.13425	2.9
356.13852	9.5
357.14709	4.4
358.15536	12.9
359.16422	7.9
361.14014	4.4
362.14999	4.4
368.14096	2.8
370.15643	4.2
371.12292	3.3
371.16528	4.8
372.13141	6.0
372.17102	7.5
373.14111	5.9
374.14856	6.1
382.15372	4.9
384.17065	8.0
385.14749	2.9
386.15115	11.5
387.15881	11.5
388.16400	9.7
389.13632	3.3
398.15234	3.8
400.16446	18.5
402.18039	7.4
406.17523	7.4
416.16013	38.1
417.16483	3.6
418.17673	11.9
428.15881	15.2
429.11414	3.3
430.17587	4.9
434.17044	60.0
436.18707	6.0
438.14413	3.4
444.15317	3.2
446.17023	100.0
447.17227	4.7
448.18729	8.0
452.18048	12.0
456.15332	5.1
462.16339	12.8
464.18134	14.7
474.16342	14.6
480.17529	12.4
494.19232	17.4
506.19049	16.0
512.20068	32.8
519.26093	6.2
524.20074	14.6
553.24359	6.5
571.25153	3.6
581.23621	26.2
583.25006	6.6
599.24860	84.9
600.24817	3.2
601.25873	4.2
609.22949	8.9
617.25879	18.5
627.24463	36.5
641.25464	10.7
645.25488	81.9
646.25909	5.2
659.26801	18.2
677.27911	67.5
678.27582	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	677.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96802	0.7
53.03943	1.4
55.01861	1.8
55.05492	1.3
57.03416	0.7
64.38800	0.7
65.03962	0.8
67.05486	1.9
68.99760	1.0
69.03069	0.8
69.03407	3.5
69.07041	1.0
70.06572	1.8
71.70081	1.1
71.70487	1.0
79.05491	5.2
80.05012	2.0
81.03410	2.8
81.07047	2.0
83.04986	1.0
85.02893	4.3
86.09698	0.7
91.05473	6.1
93.07037	7.1
94.06563	1.4
95.04990	3.5
96.08120	2.0
97.02863	2.6
97.06507	1.7
100.11234	1.6
103.05454	5.5
105.05729	1.4
105.07021	1.1
107.04961	1.4
108.08131	1.7
109.02872	2.7
109.10150	0.8
110.09666	2.5
111.04409	0.7
118.06532	3.5
119.04928	1.4
119.07333	1.8
120.08089	20.4
123.04413	5.3
127.03892	6.9
129.06950	1.2
131.04932	0.9
131.08562	1.4
133.06467	0.8
133.10081	0.8
135.04410	6.0
136.07584	1.9
137.02286	1.1
137.05945	2.2
138.09123	3.1
138.82132	0.7
139.03891	12.4
140.07045	1.4
143.07324	0.9
144.08090	0.9
145.04932	0.8
146.05988	0.9
147.04391	2.2
148.07549	37.5
151.03908	2.0
153.01816	7.0
157.10149	1.2
158.09656	1.0
159.02892	1.2
160.11131	1.0
163.03862	8.6
163.07538	1.4
164.07100	1.0
165.05478	2.0
166.08592	4.9
168.06612	1.0
172.09898	0.7
177.05473	1.8
179.03355	1.2
179.06960	0.9
181.08600	7.0
185.10703	3.0
191.07001	0.8
192.07817	1.3
192.10085	0.8
193.08484	0.8
199.08611	0.8
199.12302	2.1
200.11351	0.9
200.13040	5.2
201.05331	0.9
201.13834	4.4
203.06830	0.8
204.06528	1.7
204.10204	3.9
205.08510	1.0
207.10139	2.0
211.08832	0.8
211.12299	1.5
212.09407	0.9
213.05592	0.6
213.10197	1.1
219.10181	1.5
221.07918	0.7
223.12321	1.8
224.13040	0.9
225.11076	2.7
225.13371	0.6
226.11072	0.9
227.11754	12.4
227.13824	1.0
228.10254	1.0
229.04878	1.2
231.06546	2.9
237.10155	1.1
239.11752	6.0
240.12231	0.8
241.09740	1.8
241.13348	3.0
242.14043	0.9
243.11203	1.2
251.11862	2.3
253.09647	2.2
253.19455	1.2
255.06642	1.1
255.11307	1.6
257.12854	1.5
259.05945	0.9
264.11230	0.9
265.09811	1.0
266.10477	1.0
266.13049	1.1
267.11221	5.7
268.12012	2.5
269.12836	9.6
271.05997	1.2
271.10651	1.4
271.20410	0.9
280.14337	1.1
281.09857	0.7
281.12738	4.1
283.05963	2.6
283.10919	1.3
283.14282	1.2
285.12323	2.5
289.12802	0.7
290.16559	1.8
291.14899	2.5
294.13013	1.3
294.15988	9.3
295.10873	1.6
297.12207	2.2
299.05505	0.9
299.13852	4.1
301.07101	1.4
301.11621	0.9
301.15561	1.2
303.13974	1.4
306.15970	1.1
308.14346	0.8
308.17334	3.4
311.05634	1.5
311.09302	2.5
313.11642	4.9
315.13431	1.5
316.14307	0.8
317.15671	1.1
318.15988	8.3
319.13699	1.7
320.13998	1.3
320.17542	1.2
321.14661	2.6
322.15451	1.0
323.10049	1.0
323.17715	0.8
325.11191	2.4
329.16330	1.7
330.12305	1.1
331.14380	0.9
332.14014	1.4
332.17511	14.8
333.15131	1.5
334.15503	8.0
335.16302	1.0
336.17023	14.4
337.15366	1.6
339.08655	2.5
341.11438	2.1
342.12180	1.0
343.11670	5.2
344.13971	1.7
346.15448	2.3
346.19199	1.4
347.12772	1.3
347.17087	1.7
348.17239	4.4
349.18231	1.1
350.18716	6.1
351.16635	0.9
352.16699	4.0
355.11880	1.4
356.09027	0.9
358.15823	1.0
360.17111	1.0
362.14832	8.5
362.18716	1.3
363.16287	0.8
366.18173	1.7
367.18869	1.5
368.19644	23.2
369.13187	3.6
372.12988	0.9
373.14008	4.5
374.14966	1.5
376.16504	5.2
378.14188	1.1
383.15982	2.8
385.09119	15.3
386.09286	0.9
387.14285	4.0
390.18018	2.5
391.19003	10.4
392.19876	3.8
393.17026	0.8
394.17584	7.6
406.17563	6.9
407.18240	3.5
408.19174	13.2
409.19901	11.8
410.74680	0.9
411.10629	1.3
416.16245	1.6
418.17477	5.2
425.19485	3.1
429.11755	16.4
429.21048	0.9
430.12048	1.6
434.17105	4.3
435.17871	12.7
436.18628	29.1
437.18863	1.0
446.17090	1.5
450.20160	4.8
453.18564	3.6
462.16415	2.7
466.20078	1.5
468.21259	18.4
474.16611	3.0
480.17361	1.4
484.20758	5.6
489.15005	0.8
494.19202	6.8
506.19458	3.5
507.16293	1.2
512.20227	76.1
513.20734	2.5
520.20386	0.7
524.20032	1.1
529.20563	1.6
530.21289	100.0
531.21527	2.8
601.26215	0.9
627.24243	5.1
641.25439	1.0
645.25208	2.8
659.25946	1.6
677.26941	3.6
677.48816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01863	1.5
55.05494	1.2
57.03418	1.7
60.11334	0.7
61.02904	0.9
64.54591	0.8
65.03932	1.2
67.05491	2.7
68.99773	1.8
69.03417	6.5
69.07060	1.5
70.06581	1.6
71.04967	1.4
71.68990	0.8
73.02893	1.7
78.20748	0.8
79.05487	2.7
81.03410	6.9
81.07036	4.2
82.06554	1.0
83.04961	1.3
84.08112	1.2
85.02888	11.3
87.00816	3.7
91.05431	3.8
93.07027	6.6
94.06561	4.0
95.04963	2.8
95.07349	3.2
95.08592	2.7
96.08122	8.1
97.02879	3.7
97.06512	1.9
99.04423	3.9
103.05470	1.9
105.01852	3.1
105.07022	3.1
107.04951	1.9
107.08578	2.7
108.08090	8.0
109.02865	8.0
109.06487	1.3
109.10135	3.1
110.09662	11.8
111.04456	1.6
117.01848	0.8
117.07037	1.2
119.04889	1.1
119.08521	1.1
120.04448	1.3
120.08083	10.7
121.06466	1.8
121.10139	3.6
122.05991	2.5
122.09653	1.1
123.04398	6.2
123.11728	0.8
124.07561	3.7
127.03898	15.7
129.06969	1.6
131.04906	1.1
131.08566	2.2
133.10141	2.8
135.04456	3.8
135.11649	0.9
136.07555	9.5
137.02304	0.9
137.05930	1.1
138.05508	1.0
138.09113	14.1
139.03885	6.4
142.07802	1.4
143.08575	1.2
145.04926	2.5
145.10117	2.6
146.06038	1.9
147.04405	2.6
147.11670	3.3
148.07547	7.3
150.09146	1.2
151.03886	2.6
151.07570	1.2
152.07047	1.2
153.01797	5.9
157.10095	7.5
159.02875	3.4
159.11681	3.0
160.03954	1.3
161.05975	1.1
163.03961	4.0
163.07481	1.1
164.07077	1.7
165.01793	0.8
165.05518	1.3
165.09123	1.4
166.08607	13.8
168.06541	0.8
171.11676	2.3
172.03912	3.7
173.13269	1.0
176.06989	1.1
177.05502	2.1
179.03467	1.0
181.08620	1.7
182.08113	0.7
185.10709	1.1
185.13370	1.4
190.05009	2.9
191.06992	1.6
192.07820	1.8
193.08575	1.0
197.10722	1.1
197.13286	2.3
201.05647	1.2
203.03297	0.9
204.06468	6.4
204.10118	1.1
205.08575	0.9
209.10730	1.4
211.08629	2.4
211.14795	1.2
213.10268	2.6
214.11032	3.6
215.11801	1.3
219.06448	1.1
219.10112	2.0
222.11499	1.2
223.08707	1.3
225.10294	2.3
227.08191	1.5
227.11797	3.7
229.04977	1.0
229.13252	3.0
231.06705	6.2
235.06625	0.8
235.08627	4.5
235.12215	1.7
236.09447	3.1
237.10149	9.4
237.13911	1.5
238.10939	6.0
239.08141	1.3
239.11812	5.3
240.08911	1.5
241.09616	1.9
241.13306	1.2
243.11278	1.4
247.05975	2.6
247.08670	4.3
248.09406	5.5
249.10168	12.6
250.10989	15.8
251.11749	13.7
251.17908	1.2
252.08739	1.3
252.12595	1.5
253.09805	3.9
253.13489	1.1
253.19487	24.2
255.06306	1.2
255.11070	1.0
257.04550	1.2
257.12878	10.1
261.10223	5.9
262.10983	6.3
263.07822	1.8
263.11758	25.7
264.08911	1.9
264.12283	1.9
265.09668	5.3
265.13336	3.4
266.10440	1.0
267.07739	0.9
267.11304	5.1
269.08948	0.9
269.12949	2.0
271.06076	2.2
271.20508	2.3
277.09772	5.2
278.10422	1.5
279.11237	27.4
280.11792	1.5
281.09201	3.6
281.12500	4.0
282.10052	2.9
283.06149	1.0
283.10651	3.0
285.12195	4.2
287.10342	1.1
289.09708	2.8
291.11234	10.5
292.11948	1.4
293.09372	1.7
293.12726	2.3
294.09946	1.2
295.10712	5.5
295.14069	1.6
296.11417	1.4
297.12244	4.2
299.10184	3.2
299.13544	1.5
300.11130	1.0
301.11880	1.0
303.13531	4.3
305.09143	1.7
307.10696	10.8
309.08905	1.3
309.12250	9.9
310.13016	1.3
311.05533	1.6
311.09283	2.0
311.13931	2.7
313.11713	2.9
314.12848	0.8
318.15982	2.0
319.10629	1.1
321.12375	1.2
323.10092	2.8
323.13861	3.6
325.11765	6.4
327.09814	1.3
328.14276	1.1
329.11151	1.0
329.15265	0.9
330.12213	1.1
330.16006	1.8
332.17575	1.3
335.10196	7.9
336.17050	1.5
337.11752	12.9
337.15628	1.5
339.08688	3.7
339.12982	1.5
340.14182	1.1
341.11221	2.4
342.16037	1.5
343.12289	1.0
353.06641	1.3
353.10950	1.4
355.08994	1.1
355.12845	12.8
356.13705	1.8
357.14325	7.8
358.15262	1.7
362.14783	1.8
367.08188	1.7
367.12823	19.6
368.13846	1.8
368.19650	2.5
369.14462	4.7
370.15723	1.3
371.11929	1.8
372.13126	2.6
373.13965	7.9
375.19336	1.2
376.16440	1.5
385.09164	24.3
386.09491	1.9
386.14465	1.4
387.11719	2.3
391.18948	1.4
399.14670	1.1
403.18973	4.4
404.15640	0.9
406.18155	1.3
408.19028	1.8
409.19998	1.8
411.18268	0.8
414.14285	1.7
415.15060	1.7
418.17517	1.6
428.15887	1.0
429.11765	23.8
429.17551	1.3
430.12079	1.5
432.19397	2.4
435.17551	2.0
436.18591	1.8
438.14294	0.9
446.10681	0.9
446.17059	1.5
447.17752	1.1
456.15417	2.1
460.18451	2.9
462.16623	2.2
468.20868	2.1
474.16574	5.8
488.18307	5.8
490.19846	3.7
492.17053	2.0
494.22720	0.9
506.18848	4.6
507.16583	2.4
512.20172	10.8
519.25555	1.7
520.20728	100.0
521.21411	8.5
522.22278	37.8
530.21283	11.3
538.21405	5.2
550.22089	0.8
565.24982	1.0
583.25946	1.2
585.23535	0.9
599.24878	1.3
609.22919	2.6
627.24316	13.6
631.27179	2.2
641.25513	2.3
645.25476	2.3
649.28339	1.5
659.26489	4.4
677.27686	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	677.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.7
53.38186	1.0
54.55135	0.8
55.01870	5.4
55.02081	0.9
55.05486	2.8
55.45487	0.8
57.03421	3.0
59.04998	0.9
59.85859	0.8
61.02901	1.4
67.05487	8.5
68.99823	0.9
69.03100	1.3
69.03422	14.5
69.07033	2.2
69.34669	1.4
69.35078	10.5
71.04967	3.0
71.62531	0.9
73.02887	3.3
76.30144	1.0
79.05467	8.7
80.04976	1.0
81.03406	15.9
81.07046	11.2
83.04945	2.3
85.02891	27.6
85.06505	1.9
87.00811	12.2
91.05456	10.5
93.05749	2.8
93.07026	13.3
94.06536	2.0
95.04935	3.3
95.08588	7.6
97.02871	6.8
97.06478	1.5
99.04443	6.2
99.08067	1.1
101.68900	0.9
103.05414	1.1
105.01847	8.4
105.07014	13.7
107.04938	1.8
107.08573	8.6
108.08108	10.7
109.02865	17.2
109.06480	1.5
109.10140	9.3
110.06065	0.9
110.09647	3.3
111.33678	0.9
113.05966	1.3
115.03904	1.1
117.01835	2.4
117.06992	3.6
118.06519	1.6
119.08548	6.8
120.08101	5.9
121.06495	1.1
121.10122	10.8
122.06041	1.3
122.09645	4.7
123.04362	1.9
123.08026	1.0
123.11686	1.8
125.06017	0.9
127.03892	25.9
128.06189	1.8
129.01808	2.5
129.06960	6.0
130.07715	1.4
131.08510	8.2
133.10114	11.8
135.04124	1.0
135.07996	1.0
135.11644	2.6
136.07556	70.2
137.05937	1.1
137.09567	1.5
138.09100	1.4
139.03931	1.0
141.06902	1.3
141.09047	1.7
142.07744	4.1
143.08521	10.6
144.08028	1.5
144.09293	1.1
145.04912	9.0
145.10085	12.8
147.02885	1.3
147.11667	16.2
148.07547	2.0
149.13200	1.8
152.07057	2.2
155.08492	4.7
157.10107	32.6
159.02858	11.0
159.11658	14.3
160.11220	2.3
161.09595	1.0
161.13248	4.5
164.07033	24.9
165.09090	3.7
166.08640	7.1
166.96526	0.9
169.10094	4.0
171.11684	9.1
173.13203	3.5
177.12657	1.0
179.10643	2.2
181.10033	1.2
183.09048	1.3
183.11630	4.6
185.13200	3.3
186.11194	1.0
187.14780	1.1
195.11771	1.0
197.07080	13.8
197.10722	2.6
197.13194	6.8
198.11349	1.5
199.08562	2.0
199.14751	1.3
203.11880	1.4
204.02814	1.1
209.10619	1.6
209.13184	1.7
210.11378	1.6
211.08629	9.2
211.12170	1.1
211.14726	4.6
212.09317	1.8
213.10236	1.8
213.16341	2.9
223.08554	1.2
224.09361	2.8
224.15643	1.1
225.06554	21.3
225.10117	9.8
225.13878	2.0
225.16306	3.3
226.07097	1.2
226.10797	1.1
227.08131	3.7
227.11650	2.2
227.15349	1.6
229.09760	1.3
231.05058	6.9
235.08546	1.2
238.10928	1.1
238.16902	1.2
239.04480	1.9
239.08115	22.8
239.11726	2.5
240.08694	1.3
240.12384	1.4
241.09665	1.5
241.13252	2.9
242.14095	2.1
243.07587	2.5
245.13202	1.2
249.06181	1.1
251.11668	1.7
251.17915	3.5
253.05992	3.2
253.09703	11.7
253.13358	3.7
253.19475	100.0
254.11870	1.2
255.07683	4.2
255.11234	2.9
255.14790	2.2
255.21057	3.6
257.09119	7.7
265.09653	1.7
267.04938	1.8
267.07602	23.6
267.10709	1.4
268.08047	1.3
269.09290	1.4
269.18835	1.1
271.10742	3.1
271.14203	1.9
271.20532	14.1
273.08679	1.3
273.15878	13.4
279.11429	1.3
281.05527	7.5
281.09134	21.2
281.12735	9.5
283.10742	3.1
285.08646	3.8
285.11826	1.4
291.07501	1.4
295.07080	5.8
295.10449	2.1
297.12280	1.4
299.06503	2.8
299.10175	9.4
299.13828	8.7
301.11868	1.7
307.10742	1.3
309.08655	37.1
311.10278	6.4
313.08392	1.7
313.11844	2.7
327.09702	44.6
328.10165	1.6
329.11087	3.4
335.23480	1.7
337.08139	11.1
341.11060	1.3
345.10837	5.6
348.15961	1.2
355.09183	71.5
356.09537	2.3
361.13986	2.2
369.10779	8.0
373.10178	33.6
374.10297	1.3
375.26987	1.1
387.11792	86.2
388.12024	2.2
393.27777	7.5
411.28683	3.3
420.18845	2.2
432.19351	1.5
448.18341	1.7
464.18094	10.8
476.18179	9.8
496.20728	6.9
508.20624	3.3
519.25800	9.9
520.20087	1.3
545.23871	1.0
583.25775	4.5
601.28168	2.3
609.22723	3.8
627.24347	20.2
628.24237	1.9
641.24921	1.2
645.25043	1.8
651.06439	1.0
659.33795	4.3
677.35706	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01849	3.8
55.05499	4.0
57.03420	3.3
58.56896	1.1
61.02905	1.7
64.49726	1.1
67.05495	13.5
68.99772	1.3
69.03417	18.5
69.07064	3.1
70.18392	6.8
71.04982	4.2
73.02887	3.5
79.05475	12.0
80.04996	2.0
81.03407	20.4
81.05793	1.6
81.07044	16.9
82.06578	2.5
83.04939	2.5
83.08596	2.5
85.02896	26.7
87.00817	11.2
91.05468	13.9
93.05745	2.2
93.07030	20.3
94.06557	15.3
95.04950	6.6
95.07333	16.5
95.07919	1.9
95.08578	9.9
96.08121	25.5
97.02877	8.7
97.06508	6.2
99.04439	5.5
103.05458	2.8
105.01831	7.6
105.06991	11.8
106.06514	1.4
107.08559	11.0
108.04450	7.1
108.08113	15.0
109.02856	15.0
109.06513	7.8
109.08926	1.6
109.10139	9.4
110.09666	46.9
115.05386	1.9
117.01860	2.4
117.06985	3.6
118.06526	1.5
119.07363	1.1
119.08552	6.9
120.04456	8.4
120.08088	30.9
121.06478	2.3
121.10107	12.0
122.06021	5.0
122.09663	2.0
123.04451	1.6
123.06786	1.5
123.08047	1.6
123.11694	3.7
124.07590	3.2
127.03909	23.8
128.06207	2.0
129.01807	1.8
129.05447	2.2
129.06958	6.3
131.08548	11.4
133.10118	13.0
134.06029	1.8
135.11674	2.8
136.07556	7.9
137.06007	1.7
138.09116	57.7
139.09355	1.4
141.06941	1.7
142.07748	3.6
143.08516	10.4
144.08003	1.6
145.04959	6.6
145.09052	2.2
145.10097	13.1
146.05992	2.3
147.11671	21.3
148.07538	7.4
149.13216	2.4
151.03934	1.4
151.07504	3.4
155.08504	3.8
157.10106	32.9
159.02885	7.2
159.08011	1.2
159.11679	17.7
161.13245	5.0
162.05524	1.8
164.07056	1.7
165.09120	1.8
166.08617	46.5
168.09094	1.5
169.10132	4.3
171.11673	9.2
172.03949	2.6
173.13232	4.1
175.11107	1.3
183.11693	4.8
185.13263	3.6
187.14960	1.6
195.11728	1.5
197.13255	7.5
199.08636	3.4
204.06589	4.7
209.10899	1.5
209.13165	1.7
211.08633	3.7
211.14804	5.2
212.09424	1.8
213.10228	2.6
221.10771	1.6
223.08733	3.3
223.12193	1.8
224.09370	2.2
224.15665	2.0
225.06668	2.6
225.10176	6.2
225.16336	2.3
226.10950	1.4
227.08200	2.6
227.11815	3.6
231.05003	5.4
235.08629	1.5
236.09441	5.0
237.10190	7.7
238.11031	2.0
238.17099	2.0
239.08098	2.0
239.11745	8.0
241.09697	2.6
241.13304	2.4
243.11398	2.1
245.12752	2.5
249.10207	12.9
250.10843	6.5
251.08157	3.0
251.11763	21.0
251.17929	2.5
252.12561	3.6
253.09647	5.8
253.13484	4.0
253.19482	100.0
255.11325	2.5
255.21118	2.3
261.10385	1.3
262.10687	1.2
263.11859	6.0
264.12619	1.3
265.09720	3.8
265.13330	3.5
266.10806	1.4
267.11246	4.1
269.09842	1.3
269.12827	24.8
271.20517	10.5
273.12387	2.4
277.09729	1.5
279.11356	3.9
280.12143	1.4
281.09534	2.0
281.12671	2.7
283.10864	4.6
285.12253	3.0
290.13144	2.0
291.11035	1.7
295.10870	3.7
297.12357	8.5
298.13171	1.7
299.13876	3.7
300.15070	1.7
301.11911	1.7
302.12997	2.8
307.10651	1.7
309.12323	4.1
311.10294	1.8
311.13919	2.8
312.11679	1.4
313.11966	3.7
314.12964	3.1
314.16537	4.6
315.13779	2.4
316.14484	5.1
319.13184	1.9
325.11761	3.0
326.16425	2.3
327.13809	2.0
328.14526	3.2
329.11795	2.0
330.12262	4.1
330.16110	3.7
341.11301	2.2
341.15250	2.3
342.12253	2.8
342.16013	2.5
343.13181	2.4
344.13806	7.4
345.14871	2.7
346.15414	3.7
354.15961	2.5
356.13815	4.8
356.17776	1.9
357.14740	3.3
358.15619	5.4
359.16342	2.7
360.17035	3.5
362.15009	1.5
368.14154	1.4
369.14911	1.4
371.16312	3.1
372.17209	4.2
373.14029	6.8
374.14914	3.0
382.15607	2.6
384.17224	6.0
386.14911	6.8
387.15802	5.6
388.16574	6.1
389.13159	1.4
393.27731	2.7
398.14822	1.5
400.16617	11.3
402.18167	5.5
403.15482	1.5
404.16022	1.6
406.17816	3.0
414.13943	1.5
416.16031	25.2
417.16907	1.3
418.17786	6.5
421.15909	1.3
428.16110	9.8
430.17645	3.2
434.16971	29.2
436.18497	3.6
444.15167	2.2
444.28223	1.7
446.17053	56.6
447.16879	2.4
448.18716	3.3
452.18158	4.8
456.15552	2.3
460.18896	1.6
461.28973	2.6
462.16159	6.6
462.29239	6.4
464.18280	8.5
474.16196	6.8
476.17191	1.4
480.17319	6.2
480.30164	2.0
488.18024	1.6
494.19095	5.5
506.19080	7.8
512.20172	19.2
519.25580	6.8
524.20227	4.2
553.24280	4.1
571.25366	2.3
581.23737	14.9
583.25433	2.6
599.24902	47.7
600.25647	1.5
609.23242	4.4
617.25714	10.6
627.24390	16.4
628.23755	1.3
641.25763	4.4
645.25415	44.0
659.26794	7.0
677.27985	45.2
678.28290	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	677.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01873	0.8
55.05489	2.6
57.03420	1.7
61.02923	4.6
65.99204	0.7
67.05494	7.4
69.03403	1.7
69.07041	1.8
71.04972	0.9
71.68534	0.6
71.68927	0.9
73.02897	2.6
79.05483	6.4
81.03394	2.3
81.07040	8.2
83.04977	1.2
83.08607	1.4
85.02885	5.1
91.03936	1.7
91.05453	4.1
93.07035	5.9
95.04948	1.3
95.08593	4.2
97.02883	3.6
97.06542	0.9
99.04494	1.0
99.57804	0.6
101.02371	2.0
105.07030	3.3
107.04934	1.6
107.08575	2.8
109.06502	0.7
109.10112	1.2
117.07020	1.4
119.08567	2.2
121.06554	0.8
121.10143	2.4
123.08126	0.7
127.03894	0.9
129.06927	0.9
131.08560	0.8
133.06517	0.6
133.10112	1.1
135.11670	1.5
139.07533	0.7
143.08467	0.8
145.10132	1.1
147.08119	0.6
147.11684	2.3
149.13266	2.4
159.11707	1.3
159.80479	0.6
166.46539	0.5
171.11688	1.2
173.13332	0.5
174.98454	0.6
182.31947	0.6
184.07266	0.7
235.12943	0.9
243.08318	2.1
243.21159	0.8
247.12968	0.9
261.22144	1.4
269.17490	0.9
291.15417	0.7
303.15594	0.8
336.97672	0.6
453.20972	7.9
465.21002	8.0
677.34912	100.0
678.35181	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.01856	2.0
55.05502	2.8
57.03418	2.3
57.07070	0.9
61.02918	1.3
65.03911	0.7
66.69145	0.5
67.05496	9.7
68.60481	0.4
69.03414	5.3
69.07047	1.6
70.95580	1.2
71.04963	1.4
73.02901	1.4
79.05495	3.7
81.03402	7.5
81.07042	13.2
82.07406	0.6
83.04967	3.3
83.08598	2.4
85.02889	7.7
85.06531	5.7
87.00805	2.4
91.05453	4.1
93.07030	6.2
95.04960	7.2
95.08587	6.0
96.08931	0.7
97.02882	3.1
97.06507	1.5
99.04446	2.2
99.25170	0.5
105.01846	1.6
105.07016	5.2
106.07394	0.5
107.08601	3.2
109.02858	15.4
109.06499	1.8
109.10137	4.5
111.04425	0.5
111.08102	1.0
113.09681	0.5
117.06982	1.3
119.08530	3.9
121.06477	1.7
121.10130	2.2
123.04414	11.7
123.08067	2.3
123.11669	1.3
124.05343	0.6
125.05965	1.2
125.09580	3.1
127.03888	5.4
129.06992	2.0
131.08572	4.1
133.10104	4.6
135.08047	1.0
135.11687	1.4
137.05962	1.1
137.09608	1.8
139.11162	1.6
141.09081	3.9
141.40837	0.5
142.07751	1.0
143.08548	2.0
145.04924	1.6
145.10074	3.5
147.08034	1.1
147.11681	1.9
149.09616	1.6
149.13277	0.7
150.13577	0.5
151.11124	2.7
155.08563	1.7
157.10107	6.3
159.02849	2.6
159.08041	0.5
159.11633	2.8
161.09625	1.5
161.13216	0.9
165.09093	22.3
167.10678	2.2
169.10175	1.4
171.11591	3.8
173.13307	1.0
175.11151	0.8
179.10651	13.2
181.09929	0.6
181.12198	1.0
183.10139	1.8
183.11644	1.1
185.13248	1.2
187.11247	0.6
193.12236	1.5
194.12558	0.7
195.11734	0.7
197.13287	0.9
209.13248	0.8
211.13213	1.2
211.14861	3.7
212.13672	1.3
213.16342	12.7
221.13309	0.6
223.14693	0.7
225.16425	0.6
227.17885	1.8
229.15886	0.8
231.04979	0.8
231.17285	0.7
237.16333	1.0
249.16385	1.5
251.18102	1.7
253.19482	1.2
267.15845	1.2
268.16617	0.6
269.17273	3.0
270.17838	2.1
271.20496	0.9
279.21173	0.9
285.16965	1.5
286.17303	1.9
295.20633	0.8
297.22134	2.1
375.26569	4.2
393.27823	13.4
393.32947	0.7
411.28918	10.2
429.30316	1.2
455.15808	0.8
456.16904	0.8
459.15573	0.8
461.28903	0.8
462.28949	2.5
469.14206	1.1
470.15009	1.9
471.14963	6.0
472.16147	1.8
473.16666	1.6
479.29971	1.8
480.30350	7.1
483.15649	3.6
484.15863	9.9
485.16650	8.7
486.17447	1.7
487.18329	1.3
496.16110	0.7
497.17633	3.7
498.17871	8.8
499.18219	30.5
500.18851	3.8
501.19785	0.8
512.18921	2.1
513.19806	3.7
514.20160	0.9
515.18011	0.6
516.19238	1.5
517.19360	1.7
530.17004	1.9
540.20483	0.7
544.17969	1.1
545.26801	0.7
555.19812	0.7
557.18951	3.5
558.19806	2.5
559.20050	2.5
615.35052	2.1
618.21881	0.7
631.22943	0.7
641.32544	1.1
645.24304	5.3
646.24994	5.4
647.23425	1.7
659.25208	4.8
659.34326	12.6
662.24292	1.3
677.26636	100.0
678.26624	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	677.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17875	1.8
53.03939	12.9
55.01850	11.4
55.05500	11.7
57.03417	10.6
57.07059	5.6
59.04975	6.8
61.02908	6.4
65.03923	3.5
66.14893	1.9
67.05494	40.0
68.99776	9.2
69.03415	39.7
69.07047	5.8
71.04964	6.1
71.69287	2.2
71.69717	3.5
73.02894	6.2
79.05484	20.1
81.03403	30.2
81.07040	68.4
83.04971	17.5
83.08587	4.0
85.02887	48.8
85.06524	28.1
87.00805	18.8
87.04436	7.8
91.03928	2.2
91.05463	22.0
93.07026	30.0
94.07338	2.1
95.04950	35.1
95.08584	31.2
97.02879	22.0
97.06509	5.2
99.04424	16.0
99.08052	3.3
105.01845	14.4
105.07018	30.0
107.04919	4.3
107.08571	19.4
109.02853	87.6
109.06477	7.5
109.10145	28.9
111.04400	5.4
111.08078	4.1
115.05418	3.0
115.07562	2.9
115.98285	1.8
117.01826	3.1
117.06988	9.2
119.08543	21.8
121.06474	7.3
121.10104	16.8
123.04401	64.9
123.08070	13.3
123.11694	7.2
124.05212	4.3
125.05962	5.1
125.09607	14.2
127.03020	3.5
127.03892	42.7
128.06140	3.5
129.01778	2.9
129.05460	4.2
129.06967	11.4
131.08536	24.1
133.10104	25.2
134.10371	2.5
135.08040	4.8
135.11658	7.8
137.05911	5.0
137.09583	8.3
139.11174	9.0
141.09067	24.0
142.07753	7.7
143.08548	18.4
145.04936	8.0
145.10077	22.8
147.02834	2.7
147.08012	7.8
147.11665	17.5
149.05969	2.2
149.09581	5.2
149.13210	6.2
151.11153	12.9
153.09088	2.1
155.08516	7.9
157.10094	40.3
159.02849	15.7
159.08020	2.3
159.11687	19.1
160.11145	2.3
161.09579	5.7
161.13222	5.5
163.11159	4.6
165.09087	100.0
167.10638	9.0
169.10071	8.0
171.11664	21.9
173.13232	6.6
175.11176	3.3
179.10632	60.7
181.10068	2.3
181.12181	8.3
182.10860	2.8
183.10117	5.8
183.11690	6.8
184.07333	4.6
185.13197	6.1
187.11086	2.7
187.14771	2.2
195.11720	2.8
197.13211	8.5
199.14777	5.4
209.13182	4.7
211.14790	25.1
213.03857	2.8
213.16345	57.4
217.13327	2.9
219.11710	2.1
221.13298	2.7
223.14867	2.4
225.16292	4.1
227.17926	7.5
229.15845	2.7
229.19405	2.1
231.04984	8.7
235.14812	2.1
237.10101	2.7
237.16373	5.2
239.17970	2.3
241.13361	4.0
249.10103	3.2
249.16423	3.2
251.17978	12.1
253.19472	49.1
259.14523	2.4
269.19244	2.1
271.20517	7.2
279.21051	5.3
281.18939	2.0
283.24182	2.3
297.22003	10.0
315.23077	2.8
327.23154	2.8
365.28510	3.0
375.26743	22.2
393.27765	67.0
411.28888	52.1
429.29807	7.9
438.34595	2.1
471.14786	3.1
480.30258	7.9
483.15619	4.3
484.16583	2.8
497.16629	2.4
498.17596	5.1
499.18277	15.5
500.18536	3.0
544.17871	3.4
583.25476	3.6
609.23065	3.0
615.35052	10.1
627.23944	5.6
633.35944	5.6
641.32861	6.3
645.23389	4.6
646.24695	3.4
659.34204	60.8
677.26416	42.0
677.35156	24.6
678.26160	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01869	7.6
55.05497	8.0
57.03424	7.0
57.07057	2.9
61.02900	3.5
63.19655	1.3
65.03910	3.1
66.02262	1.4
67.05488	29.8
68.99791	1.9
69.03411	21.1
69.07037	6.1
70.94963	3.1
70.95320	2.4
71.04979	4.8
73.02892	1.7
79.05470	13.2
81.03403	20.6
81.07040	45.1
82.07369	2.7
83.04970	10.6
83.08603	5.2
85.02888	27.4
85.06522	21.3
87.00806	7.8
91.05458	15.0
93.07020	19.9
94.07364	1.3
95.04948	22.2
95.08598	19.5
97.02882	9.0
97.06519	3.2
97.10176	1.2
99.04427	9.9
99.08058	2.2
102.65730	1.3
105.01847	4.6
105.07000	17.9
107.04917	1.7
107.08565	12.6
109.02856	57.5
109.06502	4.9
109.10136	17.9
111.04437	2.1
111.08072	2.6
115.07597	1.4
117.01834	1.4
117.07002	4.7
117.97818	1.1
119.08572	13.5
121.06475	8.9
121.10118	7.6
123.04408	47.4
123.08035	10.0
123.11684	3.4
124.05248	1.8
125.05968	4.0
125.09612	11.4
127.03893	21.7
129.01875	3.2
129.06999	4.6
131.08548	15.1
133.10100	13.2
135.08018	3.3
135.11678	3.7
137.05988	3.0
137.09584	8.1
139.11160	6.5
141.09077	16.4
142.07726	5.1
143.08556	11.0
145.04938	5.4
145.10092	14.0
147.08052	6.0
147.11646	8.1
149.09641	3.0
149.13263	3.5
151.11160	9.8
155.08527	4.1
156.09282	2.1
157.10095	26.3
159.02905	8.3
159.08055	1.6
159.11633	8.1
161.09596	4.7
161.13234	3.1
163.11180	2.7
165.09085	73.9
167.10652	8.1
169.10095	5.6
171.11649	14.2
173.09558	2.1
173.13229	2.8
175.11212	1.8
179.10635	46.7
181.10072	2.5
181.12225	5.5
183.10175	4.3
183.11681	3.6
185.13242	5.2
187.14729	1.2
193.12256	3.0
194.12590	2.3
196.12579	2.1
197.13222	4.1
199.14874	1.9
209.13214	2.9
211.13252	2.4
211.14848	14.9
213.16341	48.6
215.14221	2.0
222.36060	1.6
223.14995	2.7
227.17896	4.1
229.15869	2.3
229.19379	1.8
231.04996	4.5
231.17403	2.1
235.14687	2.6
237.16356	3.9
239.17921	2.3
249.16359	3.7
251.17892	5.8
253.19446	4.2
255.17407	2.5
267.17657	1.8
268.16226	1.8
269.17450	1.5
269.19232	1.9
270.17740	2.7
271.20636	3.0
279.21103	4.2
285.16971	1.7
286.17160	1.6
297.22113	8.3
315.23218	3.6
327.58762	1.4
365.28525	2.2
375.26685	13.7
393.27802	50.1
394.27930	1.9
411.23282	2.2
411.28848	36.2
429.29941	4.7
462.29398	2.7
470.14667	2.3
471.15277	5.4
479.30243	3.5
480.30157	12.6
482.14990	1.6
483.15613	1.7
484.15802	11.2
485.16425	9.6
497.17841	2.8
498.17856	8.8
499.18213	40.3
500.18802	4.2
512.19281	2.9
513.19769	3.9
514.20575	2.3
530.15948	2.5
544.17676	2.4
557.18939	1.9
558.19708	3.0
559.19849	2.1
615.35260	7.5
641.33057	3.6
645.24323	6.9
646.24646	6.3
659.25604	4.9
659.34369	48.7
677.26569	100.0
678.26416	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
53.97745	0.3
55.01863	3.0
55.05502	2.7
57.03195	0.3
57.03431	3.6
57.07049	0.6
58.80009	0.3
59.04969	0.3
61.02911	1.4
62.10969	0.3
65.03922	0.7
66.21344	0.4
67.05495	6.0
68.99791	1.4
69.03419	12.9
69.07054	1.6
69.35016	3.3
70.06573	0.5
71.04979	1.9
73.02901	3.3
73.06530	1.1
75.04450	1.0
77.03909	0.3
79.05476	4.7
81.03403	13.9
81.07042	9.5
83.01288	0.5
83.04970	5.3
83.08598	1.1
85.02892	24.6
85.06519	1.2
87.00816	8.6
87.04482	0.3
91.03921	0.7
91.05463	6.7
93.07030	8.5
94.06528	0.5
95.04942	2.4
95.08590	5.4
96.08138	0.5
97.02876	8.0
97.06516	0.8
99.04441	5.7
101.05997	7.6
105.01851	8.1
105.07011	10.1
107.07904	0.5
107.08575	7.1
108.08075	0.7
109.02859	16.6
109.06506	3.2
109.10142	7.0
110.09655	0.6
111.08092	0.4
111.11748	0.4
115.03938	0.4
115.05417	0.6
116.06181	0.4
117.01836	1.6
117.07014	3.2
119.08559	5.4
120.08105	0.4
120.35638	0.3
121.06496	1.9
121.10128	9.1
122.05974	0.4
123.04406	2.3
123.08018	1.1
123.11681	1.2
125.09548	0.6
127.03896	21.7
128.06181	1.1
129.01831	1.7
129.06972	3.8
130.07767	0.6
131.08545	8.4
133.10104	9.7
135.08087	0.4
135.11649	2.3
136.07520	0.4
137.09564	0.4
138.09097	0.9
141.06985	1.6
141.09065	1.4
142.07755	4.1
143.08536	9.4
144.09258	0.6
145.04939	8.0
145.10098	10.5
147.02873	0.9
147.11661	14.5
149.09618	0.3
149.13237	1.4
151.07487	0.6
151.11145	0.7
155.08524	2.9
156.09296	0.6
157.10101	28.6
158.10448	0.7
159.02870	9.0
159.11668	14.8
161.09550	0.7
161.13226	2.3
162.49063	0.3
163.06183	0.3
163.11057	0.3
165.09074	3.0
166.08614	1.1
167.08531	0.5
167.10747	0.5
168.09268	0.5
169.10094	2.9
171.11665	9.0
173.13226	4.1
175.11113	0.8
179.10605	2.0
181.10121	0.6
182.10849	0.8
183.11667	3.5
184.12465	0.4
185.13203	3.2
186.13953	0.3
187.14832	0.7
189.03868	0.9
195.11684	0.9
196.12517	0.7
197.13231	6.4
199.14749	1.2
207.11696	0.4
209.13185	1.5
210.13916	0.4
211.12932	0.4
211.14799	5.3
212.15530	0.7
213.03893	1.3
213.16379	2.6
215.14140	0.5
223.14796	1.1
224.15552	1.2
225.10236	0.5
225.16336	2.1
227.17996	0.8
229.19461	2.0
231.04977	6.4
235.14771	0.5
237.16444	0.3
238.17146	1.6
239.11815	0.4
239.17839	0.4
249.06108	1.0
249.16296	0.6
251.17960	3.3
253.19475	100.0
254.19835	2.6
255.21045	3.8
263.17685	0.4
265.19461	0.5
267.11176	0.7
269.18948	1.0
271.20520	8.7
277.19409	0.5
279.20993	0.4
281.22617	0.6
285.12234	0.3
295.10593	0.4
295.20642	0.8
297.22333	0.4
313.11633	0.5
313.21631	0.4
319.24393	0.3
323.09930	0.3
337.25177	1.7
361.21240	0.4
373.13950	0.9
375.26782	0.6
393.27768	3.2
411.28839	3.7
416.15881	0.7
429.19046	0.3
462.16574	0.5
474.16428	0.5
480.17535	0.5
483.23642	0.5
501.24695	1.0
506.18881	0.5
512.20184	0.6
519.25836	12.1
520.26453	0.5
524.19861	0.7
627.24335	0.9
645.25623	0.4
659.34082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01861	2.7
55.05502	1.7
56.04583	0.3
57.03428	2.0
61.02901	1.4
65.03909	0.7
67.05493	6.3
67.89156	0.3
68.99782	1.5
69.03417	14.2
69.07044	1.2
69.72710	1.6
69.73123	0.6
71.04976	2.2
73.02903	1.9
78.56583	0.3
79.05479	4.6
81.03403	13.1
81.07040	8.0
83.01308	0.6
83.04949	1.4
83.08582	0.8
85.02888	22.3
87.00813	9.0
87.04406	0.3
91.03935	0.7
91.05460	5.6
93.07027	7.7
95.04956	1.9
95.07996	0.4
95.08588	5.1
97.02873	7.6
97.06497	1.5
98.20734	0.7
99.03796	0.4
99.04435	5.2
100.37431	0.3
103.03926	0.6
105.01844	6.9
105.07005	9.6
107.08571	8.3
108.08088	1.5
109.02858	13.8
109.06498	3.0
109.09408	0.4
109.10135	6.4
110.09674	0.6
111.04421	0.9
113.05995	0.5
115.03903	0.6
115.05441	0.5
117.01851	1.6
117.07001	3.5
119.08558	5.9
120.08054	1.0
121.06506	0.7
121.10117	9.3
122.09665	0.7
123.04391	0.3
123.08035	0.7
123.11685	1.9
127.03892	19.9
127.07499	0.3
128.06215	1.3
129.01796	1.8
129.05475	2.5
129.06973	3.6
131.08537	8.9
133.10098	10.1
135.11653	2.3
136.07552	10.6
138.09053	0.4
141.06972	1.5
141.09094	1.4
142.07755	4.4
142.34152	0.3
143.08537	8.8
144.09222	0.5
145.04930	6.8
145.10097	10.5
147.01762	0.3
147.02820	1.7
147.11658	14.9
149.13246	2.1
154.07617	0.3
155.08559	3.2
156.09206	0.3
157.10095	30.2
158.10497	0.6
159.02859	8.3
159.11670	13.1
161.13171	2.1
163.11140	0.6
164.07027	3.4
165.07004	0.4
165.09084	1.0
166.08633	1.4
167.08530	0.3
167.10593	0.4
168.09279	0.4
169.10106	2.8
171.11665	9.4
173.13205	4.1
175.11150	0.7
175.14777	0.5
177.09126	0.4
177.32234	0.3
179.10664	0.4
181.10104	0.6
182.10837	0.5
183.10194	0.5
183.11638	4.1
185.13225	3.1
186.14018	0.4
187.14771	0.9
189.03946	0.7
195.11656	1.0
196.12447	0.7
197.07028	2.1
197.13216	6.7
199.08643	0.3
199.14771	1.1
201.16316	0.3
209.13205	1.1
211.08600	1.5
211.14764	4.3
213.03900	1.0
213.16292	0.6
222.45425	0.3
223.14775	0.7
224.09334	0.6
224.15552	1.7
225.06561	2.7
225.10187	1.2
225.16302	2.7
227.08020	0.3
227.17744	0.4
229.19495	1.0
231.04935	5.6
235.08780	0.3
237.10242	0.3
238.17126	1.1
239.08128	3.8
239.11758	0.6
241.09673	0.4
241.13315	0.6
249.05940	0.9
249.16289	0.5
251.17868	3.1
253.09769	1.9
253.19466	100.0
254.19812	2.6
255.11208	0.3
255.21022	3.8
257.09134	1.1
267.07645	3.5
269.18945	0.8
271.10718	0.6
271.20529	10.5
273.15945	2.0
277.19308	0.4
281.05557	0.9
281.09131	3.0
281.12756	1.8
283.10715	0.5
283.24182	0.7
285.12341	0.4
293.09064	0.3
295.07138	0.8
295.20450	0.8
299.10129	1.4
299.13849	1.3
301.11761	0.4
305.22412	0.6
309.08612	5.2
311.10141	0.8
313.08212	0.4
313.11905	0.3
313.21417	0.4
327.09686	5.8
329.11105	0.7
337.08191	1.7
345.10440	0.4
355.09164	9.5
356.09439	0.6
361.13898	0.5
369.10696	0.7
373.10226	4.0
375.26819	0.6
387.11768	10.4
388.12012	0.6
393.27795	2.7
411.28745	1.0
429.29715	0.3
448.18509	0.3
464.18372	1.4
476.17880	1.5
483.23584	0.6
496.20676	0.8
501.24487	1.4
519.25806	7.7
583.25366	0.4
609.23181	0.4
615.35895	0.4
627.24127	3.4
628.23883	0.4
645.25549	0.6
659.33734	1.2
673.68445	0.4
677.35156	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
53.33741	0.7
53.67581	0.8
55.01846	3.2
55.05496	2.6
57.03419	3.4
58.07954	0.7
59.04976	1.0
61.02906	1.7
67.05495	6.4
68.99780	0.9
69.03414	11.7
69.07034	1.9
70.23814	0.6
71.04970	1.7
71.08611	1.8
73.02891	2.1
75.04414	0.6
79.05484	5.2
81.03403	15.6
81.07040	9.9
83.04949	3.1
83.08626	0.7
85.02386	1.5
85.02886	24.8
87.00332	0.9
87.00814	10.6
91.05469	5.6
93.07033	6.5
95.04929	1.6
95.08570	6.1
97.02872	5.9
99.04440	5.1
101.05978	5.3
105.01841	9.6
105.07014	10.8
107.08569	8.1
109.02853	14.1
109.06480	3.2
109.10144	7.2
117.01864	1.8
117.07024	3.3
119.08567	6.3
121.06461	2.6
121.10115	9.7
123.08033	0.8
123.11663	1.7
127.03891	23.2
128.06226	1.2
128.34903	0.6
129.01822	2.0
129.06952	4.5
131.08534	9.0
133.10088	11.1
135.11676	2.6
141.06998	1.4
141.09039	0.8
142.07808	3.5
143.08540	9.6
144.07993	0.8
145.04929	8.6
145.10088	10.5
147.02858	1.0
147.11664	14.2
149.13217	1.7
155.08510	3.2
157.10101	30.1
159.02861	8.3
159.11668	14.0
160.11136	1.6
161.13203	2.2
165.09068	1.0
169.10080	3.0
171.11655	9.7
173.13220	4.0
175.11111	1.0
179.10632	1.1
183.11702	3.1
185.13170	2.7
189.03940	1.0
195.11523	1.1
197.13197	6.4
198.11343	0.8
199.14861	1.0
201.16396	0.9
209.13187	1.1
211.14798	5.7
213.03958	0.9
213.16309	1.5
224.15550	1.7
225.16309	2.1
229.19504	0.9
231.04955	4.9
238.17116	1.6
241.13251	1.5
249.05957	0.9
251.17862	3.0
253.19469	100.0
254.19817	2.7
255.20915	3.4
259.14319	1.0
267.11472	0.7
271.20520	12.0
281.22455	0.8
295.20624	0.9
313.11691	1.7
337.25369	0.9
365.83237	0.7
369.09778	1.8
373.13818	2.5
393.27914	2.4
411.28720	3.5
429.30151	0.9
462.29266	0.8
477.60355	0.7
501.24420	1.5
519.25897	11.1
583.25092	1.2
601.26648	0.8
615.27832	1.0
637.38550	0.7
659.34222	1.3
677.35199	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	677.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03748	0.3
53.03939	3.3
55.01864	2.7
55.05498	1.8
57.03432	1.9
59.42171	0.4
61.02911	1.8
65.03930	0.7
65.19992	0.3
67.05491	5.9
68.99770	1.2
69.03417	13.9
69.07038	1.1
69.48493	3.6
70.06571	0.4
71.05004	1.7
71.05316	0.4
73.02907	2.5
73.44511	0.4
79.05483	4.7
79.71974	0.4
81.03403	14.1
81.07039	7.7
83.04962	1.2
83.07392	0.3
83.08601	0.6
85.02890	22.3
87.00817	9.0
91.03933	0.7
91.05465	6.4
93.07026	6.6
95.04935	1.5
95.08598	5.3
97.02876	7.8
97.06513	1.5
99.04442	5.8
105.01140	0.4
105.01853	8.0
105.07005	10.2
107.08578	7.5
109.02857	14.9
109.06496	4.2
109.10130	7.5
110.09630	0.4
111.04417	1.3
113.05991	0.4
115.03912	0.6
115.05433	1.1
117.01839	1.5
117.07009	2.9
119.08562	5.3
121.06483	0.9
121.10120	9.8
123.04395	1.0
123.08103	0.5
123.11678	1.2
127.03896	22.9
128.06201	1.8
129.01793	1.5
129.05504	2.3
129.06975	4.3
130.07793	0.5
131.08543	8.5
133.10103	9.6
133.38863	0.4
135.11678	2.6
138.09093	0.5
139.03893	1.1
141.06943	1.7
141.09064	1.3
142.07750	4.7
143.08537	8.8
144.09334	0.6
145.04938	7.8
145.10103	10.7
147.02840	1.2
147.11659	13.5
148.07678	0.5
149.13239	2.1
151.03906	0.4
153.01782	1.5
155.08543	3.5
156.09280	0.7
157.10103	28.4
158.10553	0.6
159.02869	7.9
159.11665	12.5
161.05843	0.4
161.13254	2.8
163.03922	0.6
165.06914	0.4
165.09129	0.7
166.08633	0.5
167.08539	0.6
169.10094	2.8
171.10214	0.6
171.11664	7.7
171.13068	0.7
173.13257	3.6
181.10100	0.5
182.10841	0.6
183.11635	4.2
185.13263	3.3
187.14839	0.7
189.03877	0.4
191.06981	0.6
195.11743	0.6
196.12462	0.5
197.13225	6.6
198.14012	0.6
199.14769	0.9
204.25032	0.4
209.13220	1.2
211.14751	3.6
212.15541	0.6
213.03935	0.7
213.16316	1.0
223.14781	1.1
224.15469	1.1
225.16382	2.3
229.19560	0.8
231.04831	4.5
237.16409	0.4
238.17116	1.4
249.06073	1.1
251.11598	0.4
251.17911	2.3
253.19476	100.0
254.19807	3.1
255.20982	3.2
263.11838	0.5
263.17737	0.4
265.19574	0.6
269.19064	0.6
271.20532	10.0
283.24179	1.2
295.20416	0.5
305.22516	0.5
313.21344	0.5
317.11514	0.4
339.08566	0.5
355.11978	0.5
373.13733	0.5
385.09113	4.3
393.27869	3.2
411.28754	1.0
429.11813	4.2
430.12067	0.6
483.23898	0.7
501.24573	1.0
519.25995	7.3
520.20630	1.1
522.22491	0.4
647.72900	0.4
659.33801	1.3
677.36200	2.1
677.46222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01856	3.4
55.05496	3.7
57.03426	3.9
61.02918	2.5
67.05494	6.4
68.99763	1.1
69.03417	14.2
69.07049	1.2
70.18398	0.9
70.18790	0.9
71.01341	0.7
71.04976	1.9
73.02898	3.0
73.06533	1.1
73.38303	0.5
75.04463	0.7
77.03931	0.4
79.05485	4.5
81.03402	17.2
81.06598	0.8
81.07040	9.1
83.04965	5.0
83.08578	1.5
85.02887	27.8
85.06539	0.7
87.00816	11.6
91.03937	0.9
91.05463	7.3
92.86302	0.4
93.07030	8.7
95.04934	1.8
95.08594	5.7
97.02313	0.7
97.02880	8.1
99.04439	5.5
101.02338	0.6
101.06001	7.4
104.49541	0.4
105.01852	8.4
105.07013	11.1
107.08578	8.2
108.08070	0.5
109.02863	14.4
109.06500	3.6
109.09405	0.6
109.10133	8.7
110.09645	0.8
115.03922	0.8
117.01821	1.9
117.07000	3.8
119.08548	5.6
121.06478	2.9
121.10121	10.4
123.04345	0.5
123.08046	0.6
123.11725	2.1
127.03896	21.8
128.06223	1.3
129.01825	2.2
129.06958	5.5
131.08543	8.5
133.10106	10.4
135.08043	0.5
135.11678	2.4
136.07491	0.4
141.06956	1.6
141.09071	0.8
142.07759	5.4
143.08536	10.5
145.04929	7.5
145.10088	10.9
147.02827	1.3
147.11667	17.1
149.13208	1.3
153.06909	0.5
155.08542	3.2
157.10100	34.3
158.10326	0.4
159.02859	9.2
159.11665	14.6
161.13255	2.9
166.08633	0.8
167.08478	0.5
168.09262	0.5
169.10092	3.7
171.11659	9.6
173.13222	4.9
175.11119	0.8
179.10693	0.7
181.10107	0.5
182.10884	0.9
183.11678	4.4
184.12364	0.4
185.13239	2.8
187.14726	0.9
195.11665	0.8
196.12453	0.4
197.13214	7.2
199.14789	1.5
209.13231	1.3
211.14784	5.0
212.15680	0.5
213.03902	1.1
213.16386	0.8
223.14864	1.0
224.15518	1.6
225.16415	2.3
229.19531	1.5
230.72552	0.4
231.04971	5.1
237.10284	0.5
237.16437	0.7
238.17064	2.4
249.06013	0.9
251.17912	2.6
253.19475	100.0
254.19746	2.7
255.21008	3.8
269.18866	0.7
271.20505	9.4
295.20386	1.0
299.17960	0.5
319.24136	0.5
329.10922	0.4
337.25174	1.4
393.27985	1.0
411.28696	1.3
429.12085	0.5
446.17154	0.8
474.16391	0.5
501.24765	1.0
512.20258	0.7
519.18268	0.7
519.25800	10.8
524.19830	0.6
627.24066	1.0
645.25415	0.5
658.23822	0.5
659.26392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01865	2.8
55.05501	3.3
55.54355	0.4
57.03426	2.2
59.04980	1.0
61.02907	1.5
65.03927	0.6
67.05492	6.6
68.99754	1.4
69.03419	15.7
69.07058	1.1
69.35920	4.7
71.01327	0.7
71.04981	2.6
71.63182	0.4
73.02898	3.1
79.05482	5.8
81.02939	0.9
81.03400	16.4
81.06600	0.7
81.07043	9.3
81.63362	0.4
83.04980	0.9
83.08591	1.1
85.02891	25.5
85.06544	0.8
87.00812	10.6
87.04443	1.0
91.03936	0.6
91.05464	6.8
93.07028	8.6
95.04932	1.3
95.08588	6.0
97.02875	8.4
97.47644	0.5
98.20684	0.9
99.04439	5.8
101.06035	0.6
105.01858	7.9
105.07011	11.2
105.07716	0.8
107.08578	9.9
109.02862	16.7
109.06516	0.8
109.10143	9.2
115.05444	1.0
117.01836	1.9
117.06988	3.7
119.08557	6.6
121.06483	1.0
121.10126	10.6
123.08069	0.9
123.11688	2.0
123.47373	0.5
125.09606	0.4
127.03893	22.8
128.06187	2.0
129.01810	1.4
129.05457	0.7
129.06969	4.5
130.07773	0.6
131.08536	9.8
133.03893	0.4
133.10112	12.2
135.11688	2.1
141.06947	1.4
141.09070	1.9
142.07761	6.2
143.08537	10.0
144.09279	1.1
145.04950	6.9
145.10107	12.0
147.02838	1.5
147.11668	18.4
149.09540	0.6
149.13205	1.1
151.11115	0.7
155.08543	3.2
156.09331	0.6
156.65617	0.4
157.10104	35.5
158.10481	0.5
159.02870	8.8
159.11665	14.8
161.13220	2.9
165.09039	0.9
169.10100	3.3
171.11655	9.6
173.13252	4.6
175.11101	1.6
181.10155	1.0
182.10837	0.8
183.11652	5.5
185.13266	3.2
187.14819	1.3
189.09134	0.5
195.11739	1.1
196.12396	0.9
197.13223	7.1
198.13997	0.6
199.14830	1.2
209.13161	1.1
211.14787	5.1
212.15567	0.8
213.03859	1.1
213.16370	1.0
223.14728	1.4
224.15550	1.7
225.10152	0.5
225.16342	2.3
231.04967	6.1
238.17102	1.2
249.05966	0.7
249.16283	0.7
251.17896	2.2
253.19476	100.0
254.19795	2.4
255.21025	3.1
269.18887	1.1
271.20520	19.0
272.20651	0.5
295.20547	0.9
313.21710	0.6
332.05524	0.5
364.43417	0.5
373.14270	0.5
375.26736	0.9
393.27811	1.8
411.28891	2.7
429.29916	1.6
483.23450	0.9
501.24469	1.3
519.25787	12.0
633.36285	1.0
647.33948	0.9
659.34161	1.3
677.24078	0.6
677.35120	11.4
678.35223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11482	0.3
53.03936	2.5
55.01863	2.4
55.05503	2.3
57.03428	2.2
57.42025	0.3
59.04966	0.5
61.02911	1.8
65.03906	0.7
67.05495	5.9
68.99731	1.3
69.03419	12.6
69.07018	1.1
69.80463	1.6
70.06516	0.3
71.04987	1.9
73.02905	2.1
79.05477	4.8
81.03408	14.1
81.07046	7.4
83.01307	0.3
83.04931	1.3
83.08548	1.0
85.02891	22.3
85.06474	1.0
87.00816	10.2
87.04404	0.5
91.03910	0.7
91.05467	5.7
91.49250	0.3
93.07032	8.4
95.04916	0.9
95.08025	0.3
95.08586	5.8
95.31525	0.3
97.02880	7.4
99.04443	5.6
101.02335	0.3
101.05978	0.6
103.03881	0.5
103.05412	0.3
105.01846	7.5
105.07016	10.7
107.08576	7.0
109.02861	15.5
109.06441	0.9
109.10131	6.9
111.04372	0.6
115.03875	0.4
115.05357	0.7
117.01825	1.8
117.06987	3.2
119.08568	5.0
120.08045	0.6
121.06463	0.7
121.10125	10.6
123.07974	0.5
123.11713	1.6
127.03895	22.3
128.06158	1.3
129.01814	2.1
129.05437	0.5
129.06993	4.3
131.08551	7.7
133.10103	10.8
135.11679	2.5
141.06996	1.8
141.09027	1.3
142.06696	0.4
142.07750	4.9
143.07407	0.5
143.08542	9.5
144.08058	0.3
144.09261	0.7
145.03847	0.4
145.04941	7.4
145.10098	10.9
147.02814	1.4
147.11659	16.6
149.13232	1.6
150.09053	0.9
151.11150	0.4
155.08551	2.5
156.09288	0.9
157.10103	30.3
158.10524	0.6
159.01640	0.5
159.02869	7.9
159.11668	13.0
160.11053	0.5
161.09467	0.6
161.13219	2.9
163.11148	0.6
163.14758	0.4
164.07008	0.4
165.09111	0.7
167.08449	0.4
169.10089	3.7
171.02724	0.3
171.11662	9.3
173.13216	4.0
175.11108	1.3
175.14793	0.5
177.03937	0.4
177.12396	0.4
181.10068	0.7
182.10863	0.8
183.11703	4.6
184.12471	0.3
185.13205	3.3
187.14742	0.8
195.11609	0.8
196.12419	0.8
197.13251	6.8
199.14778	1.5
203.11708	0.6
209.13162	1.2
211.14787	4.8
212.15515	0.8
213.03879	0.9
213.16362	0.7
216.13797	0.3
223.14777	1.0
224.15619	1.2
225.16356	2.7
226.11024	0.4
231.04968	5.4
233.16518	0.4
237.16388	0.5
238.17143	1.3
239.11789	0.4
241.13333	0.9
249.06056	1.4
249.16383	0.5
250.22507	0.3
251.17908	2.8
253.19478	100.0
254.19812	2.4
255.21019	3.3
259.14386	0.5
263.17923	0.4
265.19577	0.5
267.11298	0.5
269.18961	1.2
271.20526	16.9
277.19562	0.4
279.20969	0.4
281.09052	0.4
281.22800	0.5
295.10538	0.6
295.20554	1.0
313.11734	0.8
313.21631	0.8
341.11264	0.4
371.11902	0.4
373.13901	1.3
375.26785	0.7
384.71042	0.3
393.27786	2.0
399.29016	0.6
411.28857	3.2
429.29984	1.1
462.29089	0.8
465.22739	0.4
483.23898	0.8
501.24765	1.5
512.50378	0.3
519.25854	11.1
545.23981	0.5
583.25189	0.8
601.26068	0.5
615.27869	0.5
633.36676	0.9
659.34265	0.5
677.35297	10.6
678.35339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01565	0.3
53.03937	3.0
55.01863	2.7
55.05500	2.2
57.03421	3.2
61.02917	2.3
65.03905	0.5
67.05489	6.7
68.99758	1.4
69.03416	15.3
69.07045	1.4
70.06559	0.5
71.01326	0.4
71.03788	0.7
71.04982	2.8
73.02898	2.9
79.05479	5.6
81.03400	16.0
81.07043	7.9
83.04942	1.1
83.08602	1.3
85.02888	24.1
87.00809	9.7
87.01255	0.2
87.04428	0.5
91.03898	0.5
91.05457	7.5
92.61375	0.3
93.06431	0.6
93.07023	8.9
95.04941	1.5
95.08587	6.4
97.02872	8.5
97.06506	1.9
99.04434	5.1
101.02341	0.5
103.03938	0.4
103.05438	0.8
105.01846	7.2
105.07005	10.6
107.08566	8.5
109.02858	14.0
109.06504	4.0
109.10134	8.2
111.04403	1.5
113.05936	0.6
115.03935	0.4
115.05389	0.7
117.01835	1.7
117.07001	3.9
119.08564	6.0
120.08063	1.0
121.06540	0.7
121.10121	11.7
123.04428	0.8
123.08031	1.0
123.11693	2.1
127.03890	22.6
127.07550	0.4
128.06165	1.5
129.01819	2.0
129.05498	2.3
129.06970	4.5
130.07741	0.5
131.08537	8.9
133.10104	10.5
135.04414	0.4
135.11642	2.8
136.07509	0.4
137.05948	0.4
137.09601	0.6
138.09085	0.7
139.03844	1.3
141.06987	1.7
141.09067	1.5
142.07751	4.9
143.08545	9.3
144.09294	0.7
145.04929	7.3
145.10088	11.3
147.02841	1.1
147.11659	16.4
148.07549	1.8
149.13217	1.5
151.03879	0.4
153.01781	1.8
154.07759	0.4
155.08516	3.6
156.09271	0.6
157.10097	30.8
159.02855	8.1
159.11661	14.7
161.13239	2.8
163.03865	0.9
165.09044	1.1
166.08646	0.4
168.09326	0.7
169.10072	3.4
171.11659	9.2
173.13231	5.4
175.11119	0.7
175.14725	0.3
177.03906	0.4
177.05423	0.9
179.10574	0.4
181.10086	0.8
182.10822	0.5
183.11687	4.2
184.12424	0.4
185.13211	3.1
187.14777	1.0
189.03896	0.6
192.07843	0.3
195.11693	1.2
196.12434	0.7
197.13213	8.0
199.14740	1.2
209.13235	1.4
211.14769	4.5
212.15604	0.4
213.03873	1.2
213.16414	0.4
214.10866	0.5
223.14764	1.1
224.15489	1.8
225.16316	2.6
227.11768	0.6
229.13306	0.7
229.19450	1.0
231.04865	5.4
236.15462	0.4
237.16240	0.4
238.17157	1.8
239.11848	0.4
249.06059	0.5
251.17871	2.2
253.19467	100.0
254.19838	2.0
255.11230	0.7
255.21024	3.8
257.12848	1.5
265.19443	0.4
267.11157	0.4
269.18918	0.5
271.20532	10.3
281.12643	0.4
283.24249	0.6
285.12317	0.4
287.13791	0.4
299.13425	0.3
305.22464	0.6
313.21594	0.4
318.16006	0.9
332.17554	0.4
336.16901	0.7
369.13129	0.5
373.13864	0.8
375.26852	0.7
385.09183	3.8
391.19012	0.9
393.27768	2.5
408.19125	0.8
411.10748	0.6
411.29044	1.0
429.11807	2.8
435.17743	1.1
450.20242	0.7
483.23755	0.5
501.24704	1.4
512.20190	5.1
519.25830	8.1
530.21143	3.9
586.97253	0.5
599.24927	0.5
645.25256	0.4
659.34711	0.9
677.36414	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01847	2.2
55.05504	13.0
57.03429	6.6
57.07066	4.2
61.02915	18.6
65.03920	1.9
66.64387	1.3
67.05495	84.3
69.03429	4.5
69.07056	15.1
69.46224	12.8
71.04993	3.5
73.02907	9.0
79.05482	41.8
81.03407	4.2
81.07044	88.2
83.04974	1.6
83.08604	6.9
84.41058	1.2
85.02896	22.5
85.06522	3.8
91.03944	17.1
91.05468	23.9
93.07032	62.0
95.04947	5.5
95.05508	1.1
95.08594	66.0
97.02879	12.3
97.06507	4.1
97.10142	5.0
99.04440	1.3
99.08081	3.5
101.02403	1.2
105.07013	21.3
107.08575	39.5
109.02912	2.4
109.06532	3.5
109.10140	38.2
110.10422	1.2
111.08088	1.7
111.11697	1.3
113.09624	2.5
117.07008	9.9
119.08564	19.0
121.10134	37.5
122.10457	1.7
123.08041	2.7
123.11684	20.2
125.09618	2.1
127.03889	8.4
131.08549	21.2
133.10110	16.9
135.11671	26.6
137.09593	2.8
137.13226	7.9
139.11195	1.7
143.08517	1.2
145.04922	9.1
145.10109	15.3
147.04407	1.4
147.11641	14.0
149.09592	1.6
149.13232	23.1
151.11186	3.2
151.14853	2.4
153.12709	2.2
159.11673	17.1
161.13248	12.7
163.06026	12.5
163.11115	1.3
163.14793	20.1
164.30714	1.3
165.12737	4.0
173.13216	18.7
175.14842	4.3
177.16315	6.0
179.14310	2.4
184.07401	1.5
187.14757	10.0
194.39885	1.3
199.32278	1.2
201.16391	3.3
205.15788	1.3
215.17882	1.9
217.19409	1.2
229.14328	1.3
233.22659	3.8
243.21053	33.1
255.20537	1.1
261.22101	100.0
262.22427	3.9
263.23544	3.1
268.29437	1.1
271.96561	1.1
279.19788	1.2
279.23193	4.4
335.25735	36.3
336.26233	2.4
353.26828	36.6
360.69659	1.4
376.10532	1.3
377.26184	1.5
453.21100	1.9
465.21069	2.7
497.31140	6.2
571.83594	1.3
677.34668	23.1
678.34277	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33470	0.2
53.03936	0.7
55.01848	1.2
55.05493	0.6
55.86144	0.3
58.99575	0.3
65.03909	0.4
67.05496	1.3
68.99778	1.0
69.03407	0.7
70.06564	1.2
71.01330	0.4
71.04984	0.3
71.68253	0.4
72.08119	0.3
74.75021	0.3
76.02218	2.0
77.03890	0.5
79.05473	1.9
81.03390	1.2
81.07041	3.1
84.04496	1.4
84.08112	0.5
85.01081	0.4
85.02861	0.8
86.09721	0.3
91.05468	2.1
93.07034	1.3
95.04955	1.5
95.08575	2.0
97.02861	0.7
98.06055	0.3
103.05437	0.5
105.03389	0.5
105.06987	1.3
107.04917	1.0
107.08522	0.5
108.08084	0.3
109.02858	1.3
109.10144	1.6
110.09719	0.3
111.04427	0.4
113.04183	0.3
114.05453	0.4
115.05411	0.3
116.01574	0.4
117.06993	0.6
119.04917	6.7
119.08503	0.4
120.08067	0.4
121.06478	1.2
121.10080	0.6
123.04406	30.5
123.08010	1.5
124.03896	0.4
124.04723	0.5
125.02318	1.2
127.03907	1.8
130.04964	0.9
130.06816	0.8
131.04887	0.4
131.08536	0.9
133.06528	0.3
133.10103	0.7
135.04355	2.0
136.07510	0.8
137.05956	1.3
137.09601	0.4
138.09114	0.4
139.03847	2.9
140.06950	0.3
143.04878	0.6
144.01097	0.3
145.10146	0.6
147.04376	24.2
148.04794	0.3
149.05965	2.6
149.09598	1.1
151.03871	90.9
152.04211	1.4
153.05417	0.6
155.08507	0.4
159.04350	0.3
159.07939	0.4
161.05943	2.6
162.02164	1.0
163.03877	3.7
163.07524	0.6
165.05455	12.2
165.09135	0.6
166.05722	0.4
166.08575	0.3
169.04921	0.5
172.03844	0.4
173.09531	0.4
176.04655	0.5
177.05440	7.2
177.09077	1.0
179.04823	1.0
179.07011	0.4
181.04836	1.4
181.08516	0.4
184.09669	0.4
189.05473	0.4
190.06290	0.3
191.06973	0.5
191.10641	0.8
193.05046	0.4
195.10120	0.8
201.08978	1.4
204.06441	0.3
207.06499	1.4
207.10109	1.0
219.10121	100.0
220.10425	2.3
231.10130	0.7
233.06001	0.4
233.09398	0.3
236.36227	0.3
241.09648	0.3
249.11060	1.2
281.09164	0.3
285.07574	0.8
289.06979	0.3
299.13745	0.3
303.08554	2.6
303.12000	0.4
308.09048	1.9
313.11472	0.4
318.16895	0.3
337.11658	0.3
353.13730	1.2
362.14340	0.3
371.14819	61.9
372.15253	2.2
373.13843	0.3
374.14392	0.3
386.09265	0.3
429.21402	0.3
430.21646	0.4
451.03372	0.3
459.58243	0.3
513.20227	1.0
531.21185	0.5
678.27570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.3
53.03939	0.7
55.01860	0.8
55.05515	0.5
57.03423	0.3
58.76828	0.3
58.99562	0.3
67.05499	1.0
68.99783	0.9
69.03419	0.6
69.07083	0.4
70.06577	1.0
71.68102	0.5
71.68502	0.5
72.08131	0.4
76.02225	1.5
77.03910	0.3
79.05481	1.1
81.03413	0.9
81.07042	2.1
84.04475	1.0
84.08146	0.4
85.02906	0.7
91.05454	1.3
93.07047	0.8
95.04963	1.2
95.08591	0.9
97.02863	0.6
105.07005	0.6
107.04932	0.6
107.08550	0.5
108.04460	0.4
108.08055	0.4
109.02872	1.2
109.06480	0.3
109.10139	1.2
110.09618	0.5
113.00557	0.4
113.04227	0.5
116.01649	0.5
119.04915	4.4
120.08072	0.4
121.06535	0.6
123.04414	21.3
123.08063	1.1
124.04759	0.7
124.07552	0.4
125.02335	1.1
127.03885	1.8
130.05000	0.6
130.06841	0.4
131.08530	0.5
133.10094	0.4
135.04387	1.9
136.07539	0.7
137.05980	0.7
137.09566	0.5
138.09134	0.5
139.03883	2.4
144.01128	0.3
145.10112	0.6
147.04384	14.5
148.04697	0.4
149.05936	2.3
149.09573	0.4
151.03880	77.2
152.04227	1.0
161.05949	1.2
162.02130	0.7
163.03862	3.0
163.07530	0.5
165.05458	8.9
165.09100	0.5
166.08627	0.8
168.06561	0.8
172.03946	0.6
173.09599	0.4
175.03787	0.4
176.04579	0.4
177.05450	6.0
177.09116	0.8
179.04828	1.2
179.06987	0.7
181.04907	0.7
181.08481	0.3
184.09731	0.4
189.05405	0.7
191.10616	0.4
193.04962	0.4
195.10120	0.6
201.09088	1.5
204.06511	0.6
207.06476	1.1
207.10138	0.9
211.08604	0.7
211.12296	0.3
212.09009	0.5
213.10153	0.5
214.10916	0.4
219.10130	100.0
220.10439	2.6
225.10275	1.0
226.10657	0.5
227.11682	0.3
228.08485	0.4
231.10083	0.5
233.09532	0.4
239.11703	1.4
240.12183	0.7
241.09595	0.3
249.11136	0.9
250.11082	0.4
251.11757	0.4
253.09581	1.0
254.10017	0.7
257.12909	0.3
263.11786	0.4
267.11313	1.5
268.11536	1.4
269.12589	0.4
279.11078	0.8
285.12152	0.5
295.10635	0.8
296.11139	0.9
297.12225	0.9
299.13950	0.6
303.08569	1.5
308.08932	1.9
309.12326	0.6
313.11774	5.0
314.12119	5.6
315.13126	0.5
325.11264	0.5
337.11508	0.9
341.11438	1.6
342.11734	1.6
343.12183	0.7
344.12012	0.6
353.13797	0.5
357.14249	0.4
359.12238	0.5
371.14841	38.9
372.15033	1.3
373.13876	12.0
374.14206	11.1
403.83267	0.4
464.21579	0.5
490.19589	1.1
522.22113	0.6
628.23773	0.5
646.24957	0.6
660.26617	1.0
678.27832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13644	1.8
53.03925	3.0
55.01855	2.4
55.05502	13.7
57.03434	11.0
57.07050	2.1
61.02908	5.1
63.62659	1.7
67.05494	48.3
69.03407	5.5
69.07053	12.8
70.06539	1.7
71.04986	6.1
71.70160	2.8
73.02926	2.2
79.05483	33.4
81.03402	22.7
81.07044	68.7
82.07375	2.6
83.04977	9.3
83.08604	19.1
85.02901	21.0
85.06519	5.9
86.09696	1.9
86.50830	2.3
91.04912	3.2
91.05459	31.7
91.05980	3.6
93.07037	39.3
93.44444	2.3
95.04966	15.1
95.08009	2.1
95.08591	28.7
97.02835	5.4
97.06496	9.9
97.10146	3.5
98.45255	1.8
99.04420	2.5
99.08101	2.7
105.07014	21.8
107.04957	4.7
107.08575	23.9
109.02831	3.6
109.06487	5.7
109.10141	8.5
111.04369	2.0
111.08048	6.4
113.06063	1.8
117.06995	9.5
119.08560	14.8
121.06459	1.9
121.10107	16.2
123.04404	2.6
123.11651	3.5
124.99960	2.9
125.09543	4.2
127.03850	5.5
127.07557	2.4
129.06956	2.9
131.08534	15.6
133.10086	18.9
135.11705	9.5
139.03894	3.3
143.08545	4.7
145.10104	5.5
147.11615	10.1
149.09532	3.0
149.13235	14.9
151.11140	2.2
157.10091	10.9
157.67438	2.0
159.11661	19.7
161.13231	7.1
173.13210	3.2
175.11121	4.5
177.12753	22.4
179.14301	5.5
184.07216	10.6
193.12189	15.1
195.12195	2.2
195.13791	14.9
199.14685	2.0
211.13232	15.6
213.14795	3.4
240.17902	1.7
243.19005	1.8
251.16409	5.1
253.17790	6.4
253.19894	3.5
267.15771	9.0
267.60947	2.1
269.17426	100.0
271.16187	1.8
271.18692	10.9
276.56000	2.0
285.16907	22.0
371.25565	2.6
437.28778	2.4
445.29639	9.2
463.30457	41.3
481.31802	19.8
503.18552	2.6
557.34235	3.3
628.44910	2.0
635.22522	2.8
636.24011	3.2
678.24817	13.5
679.32495	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	679.296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	4.5
69.03418	3.6
69.07052	3.0
71.68066	3.8
73.77454	2.1
79.05480	6.8
80.05013	3.5
81.03413	2.4
81.05745	2.1
81.07025	4.3
82.06567	4.5
83.98067	1.8
85.02881	9.5
85.06510	2.3
85.40174	2.2
91.05466	8.7
93.07022	21.9
94.06552	15.8
95.04974	5.9
95.07346	16.8
95.08588	4.0
96.08115	33.0
97.06496	4.9
103.05446	2.4
105.06998	4.0
106.06523	2.5
107.08610	3.3
108.04449	12.6
108.08102	14.5
109.02869	2.8
109.06474	3.3
109.10147	2.0
110.06017	6.9
110.09663	64.0
120.04442	12.5
120.08089	42.0
122.06009	10.0
124.07594	5.6
127.03918	4.7
134.06012	3.5
136.07567	9.4
137.05980	2.2
138.09116	69.6
145.10080	3.2
146.06015	4.6
146.46280	2.4
148.07521	12.3
152.07048	4.0
159.08049	2.0
161.05846	2.0
166.08615	67.6
172.03931	4.2
199.08638	3.8
201.10263	4.2
204.06609	3.9
209.10852	2.8
211.08604	4.8
212.09299	2.3
213.10210	7.6
216.65498	2.3
223.08725	3.2
223.12335	4.9
224.09372	4.7
225.10234	17.0
226.10739	2.7
227.11784	6.2
235.08682	5.5
236.09369	5.6
237.10207	15.4
238.10936	5.2
239.11699	16.9
240.08612	2.5
240.12511	3.0
241.09714	8.9
243.11250	3.8
245.12888	2.7
249.10130	13.7
250.10909	7.5
251.08070	2.7
251.11719	23.6
252.12421	14.3
253.09717	6.1
253.13281	9.5
253.19417	4.6
255.11137	2.3
257.12738	3.7
259.10663	2.7
263.11789	7.5
264.08755	3.4
264.12460	4.1
265.09833	5.5
265.13318	12.2
266.14063	3.6
267.11307	9.4
269.09555	3.4
269.12808	26.3
271.10690	4.6
273.12134	3.6
279.11209	16.0
281.12665	3.8
282.09921	10.6
283.10690	8.8
285.12109	12.6
289.13422	3.0
290.12830	2.9
291.11032	2.9
294.13330	2.6
295.10730	6.7
297.12317	64.1
298.12888	6.7
299.13931	12.2
301.11981	9.0
309.12280	27.9
310.13037	3.2
311.13864	10.1
313.11908	9.7
315.17511	2.9
316.14554	3.9
318.12494	4.1
320.14029	3.7
325.11606	5.0
327.13409	6.7
329.11404	6.0
332.14017	4.2
334.15631	3.0
337.11627	2.5
342.12350	3.0
342.16138	2.5
343.13074	5.7
344.14011	2.7
346.15405	5.5
347.16672	2.8
356.13876	3.8
357.14743	7.7
360.17020	6.3
370.15466	4.2
371.16092	2.6
376.16541	7.9
377.15466	3.1
384.17017	3.4
388.16562	23.9
394.17508	9.8
400.16519	9.4
404.15652	4.6
406.17532	40.8
412.16556	5.0
418.17352	14.8
421.36075	2.4
422.17133	6.9
430.17502	32.9
436.18500	8.3
437.17114	2.7
444.19019	2.6
448.18512	7.1
449.17267	4.1
450.19788	3.5
454.19620	17.0
458.17313	2.2
462.20132	25.8
463.20386	3.3
464.22195	4.6
466.19650	24.3
478.19644	3.6
482.19080	21.5
494.18796	5.4
514.21802	38.8
526.21692	16.2
559.25531	10.5
565.24188	4.2
583.25586	38.8
584.25348	3.9
587.24847	25.9
599.21173	3.7
601.26770	11.5
602.24518	10.3
611.24091	7.3
619.27588	48.5
629.26141	10.6
630.24530	3.2
647.27020	100.0
648.27313	3.1
679.29407	72.7
680.29059	2.8
700.02118	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	679.296
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	4.5
69.03418	3.6
69.07052	3.0
71.68066	3.8
73.77454	2.1
79.05480	6.8
80.05013	3.5
81.03413	2.4
81.05745	2.1
81.07025	4.3
82.06567	4.5
83.98067	1.8
85.02881	9.5
85.06510	2.3
85.40174	2.2
91.05466	8.7
93.07022	21.9
94.06552	15.8
95.04974	5.9
95.07346	16.8
95.08588	4.0
96.08115	33.0
97.06496	4.9
103.05446	2.4
105.06998	4.0
106.06523	2.5
107.08610	3.3
108.04449	12.6
108.08102	14.5
109.02869	2.8
109.06474	3.3
109.10147	2.0
110.06017	6.9
110.09663	64.0
120.04442	12.5
120.08089	42.0
122.06009	10.0
124.07594	5.6
127.03918	4.7
134.06012	3.5
136.07567	9.4
137.05980	2.2
138.09116	69.6
145.10080	3.2
146.06015	4.6
146.46280	2.4
148.07521	12.3
152.07048	4.0
159.08049	2.0
161.05846	2.0
166.08615	67.6
172.03931	4.2
199.08638	3.8
201.10263	4.2
204.06609	3.9
209.10852	2.8
211.08604	4.8
212.09299	2.3
213.10210	7.6
216.65498	2.3
223.08725	3.2
223.12335	4.9
224.09372	4.7
225.10234	17.0
226.10739	2.7
227.11784	6.2
235.08682	5.5
236.09369	5.6
237.10207	15.4
238.10936	5.2
239.11699	16.9
240.08612	2.5
240.12511	3.0
241.09714	8.9
243.11250	3.8
245.12888	2.7
249.10130	13.7
250.10909	7.5
251.08070	2.7
251.11719	23.6
252.12421	14.3
253.09717	6.1
253.13281	9.5
253.19417	4.6
255.11137	2.3
257.12738	3.7
259.10663	2.7
263.11789	7.5
264.08755	3.4
264.12460	4.1
265.09833	5.5
265.13318	12.2
266.14063	3.6
267.11307	9.4
269.09555	3.4
269.12808	26.3
271.10690	4.6
273.12134	3.6
279.11209	16.0
281.12665	3.8
282.09921	10.6
283.10690	8.8
285.12109	12.6
289.13422	3.0
290.12830	2.9
291.11032	2.9
294.13330	2.6
295.10730	6.7
297.12317	64.1
298.12888	6.7
299.13931	12.2
301.11981	9.0
309.12280	27.9
310.13037	3.2
311.13864	10.1
313.11908	9.7
315.17511	2.9
316.14554	3.9
318.12494	4.1
320.14029	3.7
325.11606	5.0
327.13409	6.7
329.11404	6.0
332.14017	4.2
334.15631	3.0
337.11627	2.5
342.12350	3.0
342.16138	2.5
343.13074	5.7
344.14011	2.7
346.15405	5.5
347.16672	2.8
356.13876	3.8
357.14743	7.7
360.17020	6.3
370.15466	4.2
371.16092	2.6
376.16541	7.9
377.15466	3.1
384.17017	3.4
388.16562	23.9
394.17508	9.8
400.16519	9.4
404.15652	4.6
406.17532	40.8
412.16556	5.0
418.17352	14.8
421.36075	2.4
422.17133	6.9
430.17502	32.9
436.18500	8.3
437.17114	2.7
444.19019	2.6
448.18512	7.1
449.17267	4.1
450.19788	3.5
454.19620	17.0
458.17313	2.2
462.20132	25.8
463.20386	3.3
464.22195	4.6
466.19650	24.3
478.19644	3.6
482.19080	21.5
494.18796	5.4
514.21802	38.8
526.21692	16.2
559.25531	10.5
565.24188	4.2
583.25586	38.8
584.25348	3.9
587.24847	25.9
599.21173	3.7
601.26770	11.5
602.24518	10.3
611.24091	7.3
619.27588	48.5
629.26141	10.6
630.24530	3.2
647.27020	100.0
648.27313	3.1
679.29407	72.7
680.29059	2.8
700.02118	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	679.2964
Annotation	1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin
Peak:m/z	Relative Intensity
53.03930	3.7
53.70706	1.4
55.01855	2.8
55.05495	2.5
59.06110	1.9
59.48929	1.5
63.60972	1.3
66.70797	1.5
67.05499	8.8
69.03423	4.4
69.07067	3.4
70.06552	1.8
71.04965	2.5
71.70284	2.1
79.05485	6.5
80.04997	4.2
81.03402	5.6
81.05791	2.6
81.07037	5.4
82.06548	6.2
85.02875	2.9
85.07668	5.1
86.09689	2.4
87.00819	1.9
88.51255	1.7
91.05478	8.8
93.07015	17.8
94.06566	16.5
95.04974	5.4
95.07327	13.5
95.08598	3.4
96.08113	34.9
97.02859	2.8
97.06539	3.1
100.11261	3.2
103.05471	2.9
105.07011	3.8
106.06516	3.2
107.08566	2.1
108.04467	9.1
108.08105	19.6
109.02867	2.9
109.06509	2.6
109.08898	3.2
109.10149	3.4
110.06022	7.0
110.09662	62.5
110.10420	3.3
111.04445	3.7
118.06518	2.7
119.08595	3.1
120.04454	14.0
120.08084	42.0
121.06508	3.6
121.08327	1.4
121.10140	3.2
122.06006	10.8
122.09644	2.8
123.06810	2.3
124.07582	4.3
125.00042	1.7
127.03905	5.1
133.10097	3.5
134.06030	3.3
136.07533	10.2
138.09116	78.9
145.04956	1.6
145.10112	3.8
146.05978	3.7
147.11681	2.6
148.07542	12.6
150.09071	2.5
151.07472	1.9
152.07031	2.1
155.08496	1.7
157.10155	4.7
159.11705	3.2
162.05466	2.4
164.07010	2.4
166.08615	60.5
171.11725	2.4
172.03961	4.5
173.13295	2.0
174.09184	1.6
184.07375	9.1
190.05020	2.2
199.08777	3.8
201.10246	2.3
204.06552	6.8
209.10854	2.1
211.08710	4.2
212.09297	3.2
213.10249	5.1
223.08746	2.2
223.12280	2.6
224.09401	3.8
225.10201	11.8
226.10765	3.1
227.08026	1.7
227.11765	4.3
235.08638	4.1
235.12376	1.8
236.09424	5.7
237.10135	16.5
238.10876	7.7
239.08183	3.1
239.11771	11.0
240.08943	2.1
240.12436	3.4
241.09692	4.8
243.11311	3.5
245.12950	4.1
248.09457	2.0
249.10175	14.8
250.10979	6.8
251.08002	1.8
251.11751	27.5
251.17816	1.7
252.08641	1.7
252.12469	9.5
253.09766	4.2
253.13432	8.8
253.19441	11.0
254.19377	1.7
255.11319	5.2
255.20964	1.8
259.10739	1.8
259.14301	1.7
263.08224	1.5
263.09088	1.5
263.11719	10.6
265.09766	4.8
265.13351	12.6
266.10513	2.8
266.14093	3.6
267.11267	11.0
267.13968	1.7
269.12817	25.7
271.10870	3.9
271.20612	2.0
273.12408	3.5
277.09735	2.4
279.11230	17.8
281.09811	1.9
281.12808	7.0
282.09964	6.8
283.10721	7.7
284.11447	2.4
285.12360	12.8
289.13303	3.1
291.11255	3.9
295.10690	9.1
296.11719	2.3
297.12286	70.3
298.13086	4.8
299.13901	12.7
301.12961	2.6
304.14453	2.7
305.15176	2.3
309.12234	28.4
310.13104	5.0
311.13889	11.3
312.14658	3.9
313.11694	7.4
314.13223	1.9
314.16693	4.5
315.17548	2.4
316.14749	2.7
318.12482	3.3
318.15912	4.2
320.14090	2.7
325.11908	6.6
327.13559	6.3
328.14487	4.2
330.12381	3.9
330.15939	3.2
332.13995	4.4
333.14877	3.8
334.15408	3.4
337.11945	2.5
342.12042	2.2
342.15872	4.3
343.13037	3.7
343.16940	3.8
344.13913	3.0
345.15399	1.9
346.15585	4.9
356.13852	3.4
357.14575	5.8
358.15369	4.4
359.16220	2.3
360.17130	4.2
361.14795	2.1
362.18665	1.9
364.16501	2.6
366.18115	1.7
369.14783	2.6
370.15332	5.4
371.16156	3.0
372.17203	3.4
373.14334	2.3
374.14838	2.1
376.16647	6.2
377.14917	3.0
384.17001	5.0
386.18686	2.8
388.16452	23.1
388.21051	2.5
389.15189	2.5
394.17883	7.4
400.16321	11.2
402.18396	2.3
406.17529	36.9
407.17844	2.7
412.16382	5.7
416.15878	3.3
418.17599	19.1
422.17191	5.1
430.17545	37.6
434.16425	2.2
435.17215	2.9
436.18301	9.7
444.19116	2.0
446.16977	2.3
448.18274	10.0
449.17737	2.4
450.20197	2.3
454.19742	26.1
462.20209	25.7
463.20645	3.1
464.21820	6.1
466.19684	37.7
478.19873	4.1
482.19113	15.3
490.19431	2.9
492.21097	3.2
494.19165	2.7
514.21777	33.3
515.22540	2.0
526.21704	14.3
559.25287	16.7
565.24524	6.8
569.23828	2.0
583.25317	55.6
584.25745	4.4
587.24847	29.2
601.26282	12.1
602.25824	3.0
603.26965	2.0
611.24866	8.7
619.27539	72.4
620.28162	4.1
629.26178	9.2
643.27148	2.2
647.27039	100.0
648.27252	4.8
661.27271	4.4
679.29486	51.6
679.40973	3.0
679.49481	2.0
680.29846	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.4
53.03940	3.2
55.01859	4.6
55.05498	2.1
56.14661	0.3
57.03429	3.3
57.07051	1.7
61.02909	1.7
65.03918	0.8
67.05132	0.7
67.05489	10.8
68.99773	0.6
69.03043	0.6
69.03414	13.3
69.07059	2.4
71.01334	0.5
71.04984	3.3
72.86965	0.4
73.02905	2.2
79.05477	4.5
81.03401	13.2
81.07041	9.0
83.04966	0.4
83.08602	0.9
85.02889	23.0
85.06525	9.2
87.00811	7.6
87.04430	0.5
91.03938	0.8
91.05457	5.7
93.07024	7.5
95.04945	4.3
95.08588	6.9
97.02875	7.1
97.10151	1.1
98.21447	1.1
99.04443	6.2
105.01845	6.6
105.06330	0.7
105.07011	10.9
105.96342	0.4
107.08574	8.5
108.87723	0.3
109.02859	14.1
109.06492	2.7
109.10134	7.3
113.05984	4.6
115.03908	0.6
115.05426	0.5
115.07536	0.6
117.01839	1.7
117.06992	3.2
119.08559	5.7
121.06456	0.6
121.10121	10.5
123.04387	0.6
123.08012	1.0
123.11686	1.3
125.09584	0.7
127.03892	20.4
128.04208	0.4
128.06195	1.3
129.01793	2.0
129.06960	4.0
130.07710	0.5
131.08537	8.9
133.10097	10.5
134.10355	0.3
135.11667	3.3
137.09645	0.4
141.01732	0.3
141.06956	1.5
142.07751	3.8
143.08539	9.5
143.10625	2.4
144.09319	0.7
145.03828	0.6
145.04933	7.8
145.06163	0.5
145.10095	9.9
147.02866	1.3
147.11653	16.7
148.11963	0.5
149.09595	0.8
149.13219	2.4
151.11308	0.4
155.08531	3.0
156.09213	0.4
157.10095	29.4
158.10469	0.6
159.01682	0.2
159.02849	7.9
159.11662	14.7
161.13223	3.0
163.11214	0.4
165.09076	0.6
166.09377	0.5
167.10693	0.7
168.09306	0.4
169.10062	3.2
171.11661	8.5
173.13243	3.6
175.11116	0.9
179.10640	0.5
181.10077	0.8
182.10794	0.5
183.11650	4.8
185.13234	3.7
187.14781	0.8
189.03719	0.5
195.11679	0.9
196.12439	0.5
197.13219	6.4
198.13861	0.5
199.14792	2.1
201.16393	0.5
209.13190	0.9
211.14807	4.4
213.03859	0.8
213.16278	2.4
223.14738	1.0
224.15553	1.3
225.16335	2.6
229.19511	1.0
231.04918	5.0
237.16183	0.6
238.17183	1.0
249.06041	0.5
251.17967	3.0
253.19467	100.0
254.19832	5.4
255.21048	3.1
265.19385	0.5
269.18802	0.6
271.17685	0.8
271.20526	11.3
272.20917	0.7
281.22604	0.8
283.24185	1.3
295.20551	0.7
309.22256	0.4
325.25027	0.4
337.25134	0.6
355.26059	0.7
355.51074	0.4
377.28253	1.6
379.22604	0.5
395.29333	7.0
411.28696	0.4
413.30353	1.8
431.31207	1.2
483.23743	0.6
501.24725	1.2
519.25806	15.7
520.25922	1.1
599.01288	0.4
603.31500	4.2
604.31836	0.4
617.36536	0.8
661.35693	14.0
662.35779	0.9
679.36737	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
54.08968	0.2
55.01860	4.3
55.05492	2.4
57.03426	3.0
57.07067	1.7
59.04979	0.4
61.02910	1.6
65.03916	0.8
67.05489	11.5
68.99431	0.3
68.99777	1.2
69.03416	12.2
69.07060	2.0
71.04972	2.9
71.07489	0.4
71.07810	0.4
73.02898	2.8
77.13007	0.2
79.05479	3.9
81.03402	13.6
81.07043	9.1
83.04958	0.6
83.08605	1.1
85.02890	22.5
85.06032	0.5
85.06528	8.7
87.00813	8.0
91.03927	0.7
91.04919	0.5
91.05463	6.0
93.07027	8.7
94.82816	0.3
95.04949	4.3
95.08585	6.7
97.02874	8.8
97.06492	0.4
97.10130	0.8
99.04436	6.3
103.03903	0.5
105.01132	0.4
105.01842	7.0
105.07009	9.7
107.07818	0.3
107.08573	9.0
109.02856	13.8
109.06509	2.0
109.10136	7.7
111.08048	0.3
113.05980	5.1
115.03923	0.5
115.05431	0.6
115.07545	0.3
117.01829	1.4
117.06977	4.3
119.07745	0.4
119.08562	6.0
120.08875	0.3
121.06525	0.6
121.10116	11.3
123.04443	0.3
123.08063	1.3
123.11697	1.8
125.09601	1.3
127.03894	21.4
128.06177	1.2
129.01811	1.9
129.06961	4.5
130.07799	0.5
131.07007	0.6
131.08545	9.6
133.10107	11.1
135.07970	0.5
135.11662	2.5
137.09566	0.3
141.06979	1.5
141.09007	0.5
142.07739	3.7
143.08540	8.6
143.10625	2.0
144.09340	0.6
145.04926	7.4
145.10098	11.7
147.02814	1.5
147.11655	16.3
149.09579	0.9
149.13231	2.0
151.11125	0.3
154.07748	0.3
155.08530	3.2
156.09352	0.6
157.10097	28.6
158.10449	0.8
159.01797	0.2
159.02849	8.6
159.11664	14.1
160.03203	0.2
160.12131	0.3
161.09477	0.3
161.13229	2.9
163.11157	0.6
163.14818	0.4
167.08562	0.3
167.10690	0.8
168.09247	0.3
169.10091	3.5
171.02837	0.3
171.11664	9.0
173.13232	4.8
175.11156	0.9
175.14818	0.6
177.03926	0.4
179.10661	0.6
179.14291	0.3
181.10109	0.5
182.10867	0.9
183.11633	4.3
183.13094	0.3
184.12392	0.6
185.13213	3.7
186.14037	0.3
187.14761	1.1
188.27309	0.3
189.03836	0.6
195.11728	0.6
196.12433	0.7
197.13203	6.6
199.14746	1.8
201.16454	0.4
209.13213	1.1
210.13916	0.5
211.14796	5.1
212.15471	0.7
213.03880	1.2
213.16357	1.9
215.17792	0.3
223.14827	1.0
224.15543	1.7
225.16379	2.6
227.18056	0.3
229.19522	0.7
231.04976	5.4
235.14685	0.5
237.16341	0.6
238.17017	1.7
239.17827	0.8
249.05960	0.8
251.17911	2.7
253.19467	100.0
254.19936	3.6
255.20981	4.2
263.17972	0.4
265.19446	0.5
267.21045	0.3
269.18939	1.0
271.20505	12.5
272.20905	0.3
277.19467	0.6
279.20920	0.5
281.22592	0.8
283.21310	0.3
283.24182	1.9
295.20413	0.5
309.22369	0.3
319.24472	0.3
337.25180	0.7
355.26346	0.6
359.27277	0.4
377.28384	1.8
395.29388	7.5
396.29648	0.5
411.28659	0.4
413.30457	3.0
431.31519	1.8
483.23618	0.8
501.24625	1.3
519.25824	15.4
520.26129	0.7
603.31488	5.1
617.36652	0.9
643.34924	0.3
661.35626	12.7
661.46875	0.6
662.35730	0.6
679.36792	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
53.85374	0.6
55.01859	4.1
55.05494	2.6
57.03423	3.1
57.07067	2.3
61.02901	1.9
65.03917	1.2
67.05140	0.6
67.05492	13.8
68.99767	1.3
69.03418	15.1
69.07053	2.5
71.04976	3.5
72.83682	0.4
73.02905	3.3
76.04986	0.4
79.05479	6.5
81.03401	17.1
81.07039	11.4
82.07369	0.6
83.04964	0.7
83.08605	1.8
85.02889	25.3
85.06532	10.8
86.09709	0.6
87.00813	10.9
91.03925	0.9
91.05466	7.7
93.07029	10.1
95.04944	5.6
95.08594	7.7
97.02873	8.7
97.06492	0.6
97.10140	1.1
99.04436	6.0
101.02348	0.4
101.17520	0.5
105.01849	8.4
105.07010	11.0
107.04910	0.5
107.08569	9.3
109.02855	16.5
109.06506	2.7
109.10139	8.1
109.95779	0.4
111.08025	0.8
113.05987	5.8
115.03910	0.4
115.05432	0.8
115.07546	0.7
117.01823	1.3
117.05514	0.4
117.06996	4.1
119.08558	7.7
120.18776	0.4
121.06498	0.9
121.10118	12.5
122.10435	0.4
123.08038	1.6
123.11675	2.8
125.09602	1.3
127.03893	22.2
128.06183	1.6
128.77927	0.5
129.01784	2.0
129.06979	4.7
130.07813	0.5
131.07033	0.5
131.08536	10.2
132.08792	0.4
133.10097	11.8
135.11668	4.3
137.09521	0.5
141.06946	1.2
142.07748	4.1
143.08527	11.6
143.10655	1.9
144.09279	1.0
145.04944	6.8
145.10100	12.6
146.10490	0.5
147.02837	1.0
147.11655	16.0
148.12016	0.7
149.09547	1.2
149.13254	3.5
155.08531	2.8
157.10101	31.2
158.10464	0.9
159.02859	9.2
159.07994	0.6
159.11676	16.3
161.13223	3.8
163.11150	0.8
167.08539	0.6
167.10669	0.9
169.10147	2.8
171.02951	0.4
171.11658	10.9
173.13217	5.5
175.11169	1.0
175.14751	0.5
177.03938	0.6
177.05464	0.6
179.10704	0.6
181.10112	1.1
182.10909	0.6
183.11646	4.6
184.07275	1.0
185.13228	4.1
187.14798	1.2
189.03947	0.7
195.11668	0.6
196.12413	0.5
197.13213	8.3
199.14804	1.9
201.16393	0.5
209.13206	1.2
211.14813	4.5
212.15460	0.7
213.03905	1.7
213.16298	1.9
223.14722	0.7
224.15622	1.4
225.16347	3.8
229.19469	1.0
231.04944	4.9
233.15273	0.6
235.14810	0.6
236.04988	0.4
238.17122	1.8
239.17821	0.5
249.06046	1.2
249.16342	0.4
251.17976	2.6
253.19473	100.0
254.19873	4.8
255.21031	4.4
267.21161	0.6
269.19131	0.5
271.20520	14.8
271.54187	0.4
272.20895	0.5
277.19547	0.7
279.21103	0.6
281.22525	0.6
283.21091	0.5
283.24203	1.7
295.20560	0.7
318.70822	0.5
337.25250	0.8
353.79144	0.5
355.26270	1.1
377.28400	2.0
395.29419	6.9
396.29599	0.6
413.30249	3.7
431.31479	2.5
437.28952	0.6
438.29324	0.7
464.30533	0.8
470.53833	0.5
482.31598	0.7
483.23462	0.7
485.16248	0.6
487.17242	0.6
500.17957	0.9
501.18567	1.2
501.24875	1.3
519.18384	0.9
519.25812	15.0
520.25800	1.1
603.31696	5.4
617.36328	1.3
661.25073	0.8
661.35638	15.2
662.35962	1.0
679.26642	7.3
679.36914	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01865	4.7
55.05504	1.6
57.03202	0.3
57.03426	3.7
57.07063	2.0
61.02901	1.6
61.33822	0.3
67.05139	0.6
67.05493	10.7
68.99761	1.5
69.03419	13.9
69.07054	2.3
69.67769	2.3
70.03750	0.3
71.04967	2.7
73.02904	2.7
74.39015	0.3
79.05479	4.5
79.15266	0.3
81.03403	14.9
81.07040	9.1
83.01316	0.6
83.04951	0.6
83.08593	1.1
85.02893	24.7
85.06528	9.8
87.00813	8.5
87.04403	0.5
91.03915	0.6
91.05465	6.1
93.07028	7.6
95.04951	4.9
95.08004	0.5
95.08588	6.8
96.08927	0.3
97.02882	8.4
97.06516	1.2
97.10124	1.0
99.04442	5.3
99.08157	0.3
105.01850	7.1
105.07011	10.3
107.08579	9.3
109.02862	15.0
109.06487	2.3
109.10137	8.0
111.03284	0.3
111.08036	0.5
111.11716	0.3
112.13406	0.4
113.05976	4.8
115.03918	0.4
115.05447	0.7
115.07546	0.7
115.69351	0.3
116.06148	0.3
117.01839	1.3
117.07001	3.7
119.08560	5.9
121.06498	0.6
121.10124	12.3
123.00737	0.5
123.04389	0.5
123.08040	1.2
123.11660	2.0
125.09609	0.9
127.03895	22.9
128.06206	1.3
129.01807	2.0
129.06961	4.5
130.07773	0.4
131.07045	0.4
131.08553	8.9
132.09001	0.4
133.10110	9.7
135.08049	0.5
135.11699	2.7
141.06979	1.9
141.09026	0.4
142.07738	4.1
143.08534	9.6
143.10594	2.3
144.09302	0.6
145.04951	7.7
145.10110	11.1
147.02852	1.4
147.11661	16.0
148.11943	0.5
149.09557	0.8
149.13231	3.1
151.11128	0.5
154.07735	0.4
155.08511	2.7
156.09286	0.9
157.10104	30.1
158.10500	1.1
159.02867	7.8
159.11668	15.1
161.13258	2.5
163.11151	0.7
165.09109	0.8
167.10690	0.9
168.09328	0.6
169.10085	3.9
171.02779	0.5
171.11671	9.2
173.13240	4.8
175.11142	0.8
175.14725	0.6
179.10693	0.5
181.10184	0.5
182.10835	0.7
183.11662	4.9
185.13257	4.0
186.13930	0.4
187.14784	1.0
189.03923	0.6
195.11639	0.9
196.12466	0.6
197.13237	7.2
198.13902	0.6
199.14801	1.7
209.13216	1.0
211.14774	5.4
212.15474	0.7
213.03957	1.3
213.16345	2.2
214.16594	0.4
215.17896	0.6
223.14726	0.8
224.15553	1.4
224.17836	0.4
225.16273	2.4
229.19574	0.8
231.04947	5.4
238.17097	1.8
239.17934	1.0
249.06004	1.4
251.17909	2.4
253.19475	100.0
254.19902	4.9
255.17143	0.5
255.21049	4.0
261.15900	0.4
269.18985	0.9
271.20535	11.4
279.21222	0.5
281.22540	0.6
283.24060	1.7
295.20480	0.8
305.23462	0.4
317.22495	0.4
337.25323	0.7
355.26141	0.7
359.27484	0.5
377.28110	1.8
395.29340	7.5
413.30292	2.0
431.31534	0.5
501.24722	1.5
519.25806	14.6
520.25842	1.0
603.31396	4.4
617.36298	1.1
661.35712	14.5
662.36096	0.8
679.36456	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01863	5.0
55.05503	2.3
55.53746	0.3
57.03204	0.3
57.03431	3.9
57.07073	1.7
61.02921	1.7
65.03917	0.9
67.05142	0.7
67.05494	12.9
68.05814	0.6
68.99754	1.1
69.03419	14.1
69.07058	3.0
70.05256	1.0
70.05684	0.8
70.06561	0.4
70.92821	0.3
71.04975	3.0
73.02903	3.0
76.61460	0.3
79.05478	5.9
81.03403	15.6
81.07042	9.8
82.07360	0.6
83.01321	0.3
83.04960	0.9
83.08595	1.3
85.02891	24.8
85.06020	0.5
85.06530	9.8
87.00814	9.1
87.04434	0.6
91.03933	0.8
91.05460	7.2
93.07031	7.7
95.04950	5.3
95.08589	7.6
97.02878	8.2
97.06507	0.7
97.10133	1.2
97.28922	0.3
99.04434	5.0
101.02343	0.5
101.09541	0.3
103.05470	0.6
105.01846	7.7
105.06331	0.6
105.07011	11.7
106.07261	0.4
107.07835	0.3
107.08571	8.2
109.02863	15.6
109.06519	2.4
109.10141	8.9
110.03194	0.4
110.10456	0.3
111.08045	0.6
113.05989	5.1
115.03861	0.5
115.05404	0.7
115.07553	0.7
117.01884	1.7
117.05589	0.3
117.07011	2.9
119.08557	7.1
121.06474	0.8
121.10117	11.4
122.10429	0.3
123.04396	0.7
123.08023	1.0
123.11697	2.6
123.93687	0.4
124.11953	0.3
125.09579	1.3
127.03892	21.8
128.06200	1.4
129.01793	2.0
129.06987	4.4
130.07716	0.5
131.07062	0.5
131.08542	9.3
133.10106	11.2
135.08005	0.7
135.11668	3.0
139.03870	0.4
141.07013	1.2
141.09109	0.4
142.07750	4.2
143.08536	10.1
143.10646	2.0
144.09213	0.7
145.04927	6.5
145.06146	0.5
145.06528	0.3
145.10095	12.1
146.10405	0.4
147.02866	0.9
147.11661	16.4
148.12019	0.4
149.09575	1.0
149.13226	2.2
155.08521	3.4
156.09265	0.5
157.10103	29.5
158.10507	1.1
159.02863	8.6
159.11665	16.6
160.12059	0.5
161.09567	0.4
161.13237	3.3
163.11195	0.4
165.09103	0.9
166.09526	0.4
167.08488	0.7
167.10645	0.6
168.09297	0.5
169.10054	3.0
169.12311	0.4
171.11662	8.9
172.11996	0.5
173.13249	5.3
175.11140	0.8
175.14777	0.7
179.10635	0.6
181.09993	0.7
182.10803	0.8
183.11691	4.3
184.12286	0.4
185.13216	3.3
186.13751	0.4
187.14760	1.2
189.03970	0.5
195.11673	1.0
196.12392	0.8
197.13240	7.1
198.13997	0.4
199.14825	2.1
209.13225	1.1
211.12914	0.6
211.14777	6.2
212.15363	0.9
213.03853	1.1
213.16415	2.1
215.17734	0.5
216.58737	0.3
217.15933	0.5
223.14755	1.2
224.15582	1.8
225.16339	3.0
229.19489	0.8
231.04961	5.1
238.17151	1.2
239.17828	0.7
249.05963	1.1
249.16353	0.5
251.18031	2.7
252.18462	0.4
253.19475	100.0
254.19890	4.1
255.21045	3.7
265.19540	0.4
267.20947	0.4
269.18994	0.8
271.20508	12.3
277.19461	0.5
279.20898	0.7
281.22540	1.0
283.24146	1.4
295.20535	0.5
313.21594	0.5
325.25302	0.5
337.25281	0.7
355.26328	0.7
359.27124	0.4
377.28433	1.9
394.28220	0.5
395.29385	7.1
396.29678	0.5
413.30435	3.7
431.31476	2.5
432.31613	0.3
442.36893	0.4
483.23593	0.5
501.24609	1.2
519.25806	15.8
520.26141	0.9
603.31622	4.7
617.36145	1.1
623.77362	0.4
661.35669	14.8
662.35504	0.8
679.35547	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	679.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01860	5.2
55.05490	1.9
57.03431	2.7
57.07056	1.4
61.02913	1.5
65.03920	1.0
67.05493	11.3
67.82391	0.5
68.99763	1.2
69.03415	12.1
69.07046	1.6
70.28626	1.5
70.29041	0.7
71.04978	3.5
73.02909	2.6
75.18382	0.4
77.03897	0.6
79.05474	4.6
81.02938	0.9
81.03400	14.3
81.06603	0.8
81.07041	9.2
82.03707	0.5
83.01275	0.5
83.04946	0.9
83.08590	1.4
85.02889	24.4
85.06042	0.4
85.06532	8.3
87.00814	8.2
91.03934	0.8
91.05463	6.8
93.07024	8.1
93.11599	0.4
94.98586	0.4
95.04951	4.4
95.08591	7.7
97.02872	7.8
97.06505	0.8
97.10134	1.2
99.04438	6.7
100.11279	0.5
105.01851	8.4
105.07004	10.8
107.08577	9.7
109.02852	14.8
109.06482	2.6
109.10133	7.5
111.08057	0.7
113.05991	5.0
115.03909	0.8
115.05427	0.8
117.01816	1.6
117.07005	3.5
119.08560	6.2
121.06458	0.9
121.10126	12.7
122.10445	0.7
123.08047	1.5
123.11679	2.0
125.09606	1.2
127.03889	21.2
128.04265	1.1
128.06236	0.9
129.01845	2.0
129.05453	0.7
129.06969	4.5
131.07028	0.7
131.08542	10.7
133.10100	12.3
134.10406	1.0
135.04378	0.5
135.08092	0.5
135.11687	3.7
137.09610	0.4
141.06964	1.7
141.09082	0.6
142.07780	2.8
143.08537	9.6
143.10599	2.8
144.09113	0.7
145.04941	6.4
145.10095	11.5
147.02841	1.7
147.11658	16.9
148.11986	1.0
149.13228	2.6
151.11169	0.9
155.08536	3.1
156.09294	0.7
157.10101	31.2
158.10486	1.6
159.02858	8.4
159.11673	16.0
160.11929	0.8
161.13280	3.6
163.03947	0.5
163.11090	0.7
163.14807	0.5
167.10631	0.4
168.09280	0.5
169.10086	3.2
171.11668	9.5
172.11986	0.5
173.13231	4.5
175.11160	1.6
181.10011	0.8
182.10806	0.5
183.11642	3.9
184.07324	0.4
185.13228	3.6
187.14714	0.6
189.03938	0.6
195.11681	1.1
196.12434	0.7
197.13229	7.6
198.13852	0.9
199.14859	2.0
209.13188	1.2
211.14790	5.7
212.15361	0.7
213.03885	1.0
213.16292	1.5
217.15897	0.8
223.14816	1.0
224.15486	1.3
225.16299	3.0
229.19504	0.6
231.04947	5.5
238.17155	1.5
239.17737	0.6
249.05986	1.0
251.17923	2.5
253.19472	100.0
254.19826	9.0
255.20984	4.7
269.18936	0.9
271.20508	16.4
272.20850	1.6
277.19287	0.5
279.21094	0.6
283.24176	1.3
285.13071	0.5
295.20572	0.9
309.22412	0.5
337.25076	0.9
355.26157	1.6
377.28357	1.4
395.29404	6.8
413.30475	3.3
431.31430	2.6
465.22470	0.5
483.23685	0.6
501.24493	1.4
519.25836	15.3
520.25574	0.9
521.26410	0.9
524.85730	0.4
603.31433	5.1
617.36493	1.1
661.25134	0.9
661.35724	15.3
662.36096	0.8
679.36407	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	679.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50729	0.3
51.35659	0.2
53.03930	2.2
55.01640	0.3
55.01866	3.9
55.05505	2.0
57.03426	2.8
57.07065	1.9
60.07039	0.2
61.02916	1.9
65.03908	0.8
67.05490	11.4
68.99763	1.0
69.03416	12.5
69.07063	1.8
69.73022	1.7
71.04980	2.7
73.02899	2.3
76.37787	0.3
79.05478	4.8
81.03402	14.0
81.07042	9.2
82.07403	0.3
83.04971	0.3
83.08593	1.0
85.02888	22.7
85.06026	0.5
85.06528	8.5
87.00813	8.3
91.03939	0.7
91.05452	6.5
93.07022	8.0
95.04954	4.8
95.08588	6.2
97.02879	7.7
97.06534	0.3
97.10126	0.8
98.20746	0.3
99.04440	5.7
105.01852	7.5
105.07007	10.6
107.08575	8.5
107.09191	0.2
109.02859	13.8
109.03619	0.7
109.06493	2.1
109.10139	7.1
110.03190	0.3
111.07999	0.3
111.11677	0.4
113.05990	4.6
115.03934	0.3
115.05413	0.7
115.07523	0.5
116.06116	0.3
117.01847	1.6
117.06978	3.2
119.08559	6.1
121.06489	0.9
121.10115	9.6
123.04412	0.4
123.08026	1.5
123.11682	2.0
125.09600	1.5
127.03893	21.8
128.04233	0.6
128.06157	1.5
129.01799	1.6
129.06970	3.9
130.07741	0.4
131.07047	0.6
131.08542	9.7
133.10106	10.8
135.11673	2.6
141.06955	1.3
141.09077	0.5
142.07755	4.1
143.08536	8.7
143.10619	1.8
143.51826	0.3
144.09302	0.6
145.04933	7.2
145.10098	10.4
146.10486	0.4
147.02861	1.2
147.11659	15.7
149.09608	0.6
149.13222	2.2
155.08528	2.8
156.09325	0.3
157.10097	29.9
158.10464	0.8
159.02873	8.9
159.04185	0.5
159.11668	14.1
160.12062	0.4
161.13245	3.3
163.11177	0.4
165.09114	0.4
167.08499	0.5
167.10672	0.9
168.09273	0.4
169.10114	2.9
170.10872	0.3
171.11661	8.3
173.13235	4.2
175.11125	0.7
175.14755	0.6
179.10637	0.4
181.10121	0.7
182.10939	0.6
183.11638	4.9
185.13213	3.4
187.14738	1.0
189.03957	0.3
191.81670	0.3
193.12173	0.4
195.11652	0.9
196.12480	0.6
197.13222	6.8
198.13876	0.9
199.14778	1.6
201.16328	0.7
207.11606	0.3
209.13206	1.0
211.14798	4.8
212.15388	0.8
213.03867	1.0
213.16327	2.1
223.14705	1.0
224.15433	1.5
225.16258	2.8
227.18047	0.5
229.19475	0.8
231.04959	5.3
238.17186	1.2
249.06050	1.0
251.17867	2.6
253.19466	100.0
254.19815	5.9
255.21016	4.0
263.17889	0.4
265.19403	0.7
267.20963	0.5
269.18991	0.9
271.20520	11.8
272.20898	0.7
279.21133	0.4
281.22571	0.8
283.24106	1.8
295.20551	0.4
313.21408	0.4
337.24991	0.5
355.26013	0.6
359.27203	0.3
377.28281	1.8
395.29361	6.8
396.29370	0.7
413.30447	2.7
431.31375	1.1
483.23804	0.8
501.24466	1.3
519.25787	13.8
520.26184	1.1
603.31561	5.3
604.31323	0.4
617.36566	1.1
643.34253	0.4
661.35675	12.9
662.36096	1.4
679.36853	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01859	4.7
55.05502	3.9
57.03424	3.5
57.07055	3.0
61.02922	1.4
65.03922	1.2
67.05495	12.5
68.99776	1.1
69.03419	15.1
69.07053	2.8
70.06581	1.7
70.56898	0.7
71.04984	5.0
71.70193	0.9
71.70607	1.1
73.02907	2.3
73.75410	0.7
79.05480	6.1
81.03403	14.3
81.07043	10.8
83.01327	0.9
83.04972	2.8
83.08604	1.8
85.02892	25.0
85.06532	10.1
86.09710	1.1
87.00811	9.6
87.04456	0.7
88.13071	0.6
91.03938	1.1
91.05464	8.6
93.07037	10.4
95.04949	5.1
95.08072	0.7
95.08598	6.7
96.08104	0.8
97.02879	8.7
97.06516	1.6
97.10187	1.0
99.04445	6.3
100.11243	3.4
105.01859	8.3
105.07014	10.1
107.04932	1.5
107.08577	8.0
108.08071	1.1
109.02862	15.3
109.06489	2.5
109.10147	9.9
110.09635	1.0
111.04420	2.8
111.08094	1.0
113.05984	3.9
115.05447	0.8
117.01817	1.7
117.06989	3.6
119.08548	6.7
120.08087	1.9
121.06470	1.0
121.10136	12.0
123.04466	1.2
123.08035	1.9
123.11679	2.4
125.09620	0.9
127.03896	25.5
128.06184	1.4
129.01802	1.4
129.05440	1.0
129.06998	4.0
131.08542	9.7
133.10114	10.2
135.08041	1.4
135.11665	3.5
136.07536	1.2
137.05931	1.1
137.09663	1.0
138.09152	1.4
139.03874	2.9
140.07010	1.0
140.83960	0.7
141.06989	1.8
142.07748	4.5
143.08542	10.7
143.10655	1.9
145.04930	7.2
145.10094	10.4
147.11661	16.4
148.07504	0.9
149.09584	1.4
149.13261	1.7
151.07544	1.1
155.08548	3.0
157.10101	28.5
159.02876	9.0
159.11687	16.5
161.13289	3.5
163.03870	1.6
166.08609	2.1
169.10118	2.8
171.11652	8.9
173.13261	3.8
174.09171	1.0
175.11226	1.4
177.05492	0.8
181.10072	1.0
182.15396	1.9
183.11623	4.3
184.07375	1.1
185.13222	3.2
187.14799	1.2
189.03862	0.9
196.12386	0.8
197.13208	6.9
199.14815	1.7
204.06580	1.0
208.09702	2.1
209.13272	0.9
209.16551	1.4
210.14963	1.0
211.08646	0.8
211.14749	5.3
213.03888	1.3
213.16385	1.7
215.05530	0.9
224.15564	1.4
225.16373	2.8
231.04916	5.3
238.17178	1.9
239.17906	0.8
241.09630	0.9
249.05843	0.7
251.17952	2.5
253.19487	100.0
254.19891	4.1
255.20984	4.0
265.19684	0.8
271.20544	14.5
283.10785	1.1
283.24185	1.3
285.12161	0.8
313.11752	0.8
313.21603	0.8
355.26181	0.9
373.13904	0.8
377.28192	1.6
385.39124	0.7
387.09872	1.2
395.24759	0.9
395.29401	6.6
411.28885	2.0
413.30368	2.4
429.29996	1.0
431.31476	1.6
482.19525	0.7
496.20822	0.9
508.19785	0.7
513.20599	1.0
514.21436	2.2
519.25818	13.5
520.26276	0.9
522.18469	1.3
526.21326	0.8
532.21173	0.8
603.31537	4.9
617.36780	1.1
629.24512	2.0
643.24274	0.7
647.26917	1.3
661.26532	1.2
661.35876	12.3
679.36432	2.3
679.50830	2.6
704.73334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1646
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03921	1.4
55.01854	1.0
57.03413	1.8
63.60000	0.4
68.99777	0.8
69.03422	4.1
69.54064	4.0
70.00703	0.4
71.04979	7.6
73.02903	1.1
75.04463	0.5
81.03404	5.0
85.02381	0.9
85.02888	15.5
87.00814	2.9
91.03909	0.5
95.68864	0.4
97.02879	2.9
98.20645	0.4
99.04436	1.8
105.01862	2.2
107.04938	0.5
109.02863	5.1
111.00746	0.7
111.04415	0.9
121.02843	2.0
121.84643	0.4
127.03894	6.5
129.01781	0.7
129.05426	1.1
133.02805	0.5
145.04951	2.6
153.01779	2.1
159.02869	2.4
165.01791	1.2
178.53357	0.5
206.08040	0.4
213.05576	0.7
231.04810	1.1
258.05356	0.5
258.18484	0.4
259.10764	1.6
287.05444	100.0
288.05756	3.2
301.11545	1.0
319.12744	1.6
329.06528	1.7
353.06274	0.7
433.11218	0.8
492.17242	0.5
535.10754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.7
55.01849	3.9
55.05487	4.6
57.03423	1.6
61.02901	1.6
61.34692	0.9
65.03904	0.9
68.99756	1.0
69.03105	0.8
69.03421	10.7
70.03789	5.5
70.06584	2.1
71.04963	3.2
73.02889	3.2
74.92899	0.8
76.05865	0.9
79.05464	4.0
81.02939	1.5
81.03394	20.8
81.07030	1.9
83.08575	3.3
84.08946	1.5
85.02885	26.2
86.98169	0.8
87.00809	10.6
90.79592	0.8
91.03918	1.0
91.05444	2.6
93.06999	1.2
95.04907	2.5
95.08616	0.8
97.02875	13.2
98.09731	1.1
99.04425	4.6
100.07596	1.1
100.11234	15.5
101.11539	6.6
102.08119	1.0
102.11886	1.6
103.05447	2.6
105.01850	6.7
105.06982	2.1
107.04935	8.3
107.08575	1.3
108.04437	2.2
109.02254	1.1
109.02862	9.8
110.05982	0.9
111.04420	2.8
115.05444	4.7
117.01789	1.4
117.06995	12.5
121.06464	0.9
122.60851	0.8
123.04385	3.7
124.05167	2.5
124.07526	0.8
125.05968	0.9
125.09587	1.2
126.05461	1.7
127.03884	19.4
129.06987	2.9
130.04083	1.5
131.04858	1.6
131.08528	3.2
133.06480	2.2
134.76720	0.8
136.07513	1.2
137.05898	1.4
140.07059	1.2
141.06938	1.1
144.05682	2.3
145.04941	5.5
145.06442	28.6
147.07980	1.2
152.04729	1.5
155.05983	2.8
156.05652	6.7
157.06416	1.7
159.02852	5.2
159.08025	6.7
161.05960	3.9
162.09149	1.8
163.03833	0.9
165.76485	0.8
166.08638	1.4
167.07005	46.1
168.07362	1.1
173.05943	55.3
174.06367	1.6
175.07455	2.1
180.10052	1.4
181.04938	1.9
182.15318	3.5
183.15677	3.3
184.05154	1.2
184.15999	1.3
187.07509	5.5
190.06206	32.5
190.07933	2.0
191.06827	2.7
193.08485	2.1
202.06163	4.1
203.06989	6.2
205.08553	100.0
206.08867	3.9
207.06444	2.1
208.09642	1.0
209.09909	0.9
209.16335	2.1
210.14835	2.9
210.16791	3.2
211.15170	3.8
211.16983	2.0
212.15514	3.0
213.03796	1.0
215.06897	1.1
217.08551	36.1
218.08992	1.1
219.08087	1.7
219.10107	5.3
223.09578	1.4
231.04941	2.7
231.08089	1.1
235.09575	27.8
236.04625	1.0
236.10139	1.2
247.07509	1.4
247.09631	7.9
248.08067	2.8
249.11182	1.4
264.07544	0.9
265.10672	35.0
269.08032	1.3
271.09671	2.1
276.07770	1.7
279.10165	1.6
282.08817	1.5
291.10233	2.0
299.09119	1.0
303.04950	2.3
315.08704	6.5
315.30899	0.9
317.06415	1.1
320.10129	1.2
323.12793	2.4
330.10965	10.5
331.11560	4.5
337.10773	1.4
339.12253	2.4
343.11618	1.5
351.12247	5.4
368.12451	1.9
369.13452	1.7
371.14630	2.9
383.14880	14.8
401.15863	16.2
402.16571	1.3
417.15543	1.5
522.10327	1.1
527.18872	1.7
634.22229	1.1
665.50903	2.9
683.41296	1.5
683.52258	20.1
684.52734	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	684.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47674	0.2
53.03928	0.9
53.84320	0.2
55.01865	1.5
55.05490	0.5
57.03431	1.4
61.02919	1.4
67.05465	0.8
68.99777	0.7
69.03419	7.7
69.07048	0.3
70.07822	0.7
70.08231	0.6
71.04984	1.1
73.02900	1.6
79.05471	0.5
81.03403	5.6
81.07034	0.7
83.01303	0.4
83.04934	0.3
83.08587	0.3
85.02892	20.7
87.00815	8.6
87.01205	0.1
87.04456	0.4
91.03925	0.7
91.05440	0.5
93.07013	0.2
93.19093	0.2
95.05009	0.3
95.08617	0.6
97.02876	8.8
97.10155	0.3
98.07738	0.2
99.04430	2.9
101.02386	0.3
103.03934	0.4
105.01849	14.7
105.07005	0.5
107.04935	0.3
107.08588	0.3
109.02857	7.1
109.10126	0.8
115.03932	0.4
117.01848	0.5
119.08514	0.4
121.06493	0.5
121.10119	0.5
123.02873	0.3
123.04382	0.5
123.07999	0.3
125.09559	0.6
126.80688	0.3
127.03895	17.6
129.01825	0.6
129.60066	0.2
131.04909	0.4
135.08011	0.3
144.06572	0.2
145.04932	6.8
147.02861	0.5
153.06833	0.3
155.08459	0.3
159.02849	2.8
159.08003	0.3
160.12050	0.2
161.05908	0.2
165.06955	1.9
166.07706	0.5
167.07037	9.4
167.08510	1.5
169.10167	0.5
171.07985	0.3
178.07840	0.3
179.08549	0.5
181.06447	0.6
181.08527	0.3
182.07214	1.1
183.07968	0.3
189.03857	0.7
189.11311	0.4
193.08591	0.3
193.12161	0.4
194.07237	0.5
195.08009	0.8
196.08844	0.7
197.09589	8.1
198.10194	0.3
207.08141	0.3
208.08597	0.3
209.09563	0.7
210.06743	1.2
211.07542	1.5
211.11235	0.3
213.03940	2.0
214.09808	0.6
224.08290	2.3
225.09058	9.2
226.09833	7.5
227.06999	0.8
227.10773	0.6
227.12790	0.6
229.12177	1.3
231.04968	7.0
239.10597	1.6
239.16331	0.7
240.11359	0.4
241.08470	0.6
242.09334	5.7
243.09825	0.3
245.13786	0.9
249.06018	2.8
250.09860	0.3
253.07002	0.7
253.12244	0.5
255.10120	0.5
256.07397	0.5
256.10764	0.6
257.11679	100.0
258.12009	3.8
267.10110	0.9
267.15909	0.9
269.11716	1.3
281.11670	1.5
293.11584	0.4
295.13409	0.3
299.12817	1.3
323.12814	1.5
347.12729	0.5
350.11194	0.2
359.02725	0.3
365.13803	1.4
375.09241	0.2
383.14935	0.6
401.19519	0.3
419.20309	1.2
437.25323	1.1
455.25882	0.3
486.35507	0.4
504.37021	0.5
508.21799	0.2
522.37976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01862	1.0
57.03408	0.5
61.02897	0.4
67.05481	0.3
68.99770	0.4
69.03416	2.9
69.07068	0.2
69.62191	1.1
70.06557	0.2
71.04964	0.5
73.02894	0.6
78.04698	0.8
79.05481	0.8
80.04997	0.2
81.02942	0.2
81.03399	3.1
81.07014	0.3
84.08143	0.1
85.02890	6.2
85.06525	0.1
87.00806	2.5
87.57560	0.1
91.03884	0.2
91.05411	0.3
93.07017	0.3
95.01450	0.1
95.04947	0.4
97.02866	2.3
98.06001	0.1
98.20718	0.2
99.04425	1.4
99.08078	0.1
103.05433	0.3
105.01842	1.7
105.07004	1.2
106.04101	0.7
107.04938	0.8
108.04448	0.5
109.02857	2.5
109.06510	0.2
109.10118	0.2
111.04442	0.2
115.05437	0.4
117.01826	0.4
117.06998	0.2
119.08495	0.1
121.06486	0.5
122.03577	0.2
123.04403	2.9
124.05185	1.1
126.05507	0.5
127.03886	4.2
129.01826	0.4
129.06955	0.4
131.04857	0.4
133.06465	1.3
134.03568	0.2
137.05910	0.9
144.05632	0.1
145.04924	1.8
145.06380	0.7
147.02856	0.2
147.04356	0.3
147.08058	0.3
151.03894	0.6
151.07506	0.6
152.04646	1.0
153.05394	0.8
155.07068	0.1
155.08482	0.2
159.02878	1.4
159.07948	0.2
161.05952	2.0
163.07469	0.4
167.07002	100.0
168.04115	0.2
168.07349	1.1
173.05975	0.3
175.07503	0.6
177.09044	0.5
179.07007	0.5
181.08546	2.2
183.07968	0.2
187.07544	0.3
189.09161	0.3
193.08563	3.9
201.09052	0.3
203.07011	0.1
203.10625	0.2
205.08553	2.2
207.08299	0.1
207.10117	2.3
209.08107	0.3
213.08989	0.3
215.10622	0.3
217.08575	0.5
217.12151	0.1
219.10117	1.6
221.11620	0.7
223.09612	0.4
230.06624	0.1
231.04945	0.5
231.10196	0.5
233.08037	0.5
233.11766	0.3
237.11140	1.2
239.12759	0.4
243.10062	0.1
245.11687	0.3
247.13258	0.7
248.07637	0.3
251.12752	0.2
253.14372	0.2
257.11716	0.3
263.12857	0.1
265.14319	0.7
266.08606	0.2
271.13397	0.2
285.11166	0.8
303.04901	0.4
401.19510	3.3
402.19598	0.2
413.19421	0.3
415.21036	0.6
419.20541	7.1
425.19373	0.3
431.20731	0.2
443.20505	0.2
467.20593	0.2
491.20486	0.2
509.21301	0.7
527.22369	0.4
562.41785	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	684.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01856	0.8
57.03420	0.4
59.25357	0.2
61.02915	0.2
67.05496	0.5
68.99780	0.4
69.03419	1.9
69.07033	0.3
70.06566	0.3
71.04932	0.2
71.70446	0.4
73.02888	0.4
78.04696	1.0
79.05468	0.8
81.03411	2.8
81.07036	0.5
82.98690	0.2
83.04951	0.3
85.02897	5.0
85.06522	0.6
86.09678	0.2
87.00801	1.6
91.03925	0.2
91.05414	0.4
93.07034	0.4
94.19949	0.2
95.04941	0.8
97.02877	2.2
99.04426	1.0
103.05392	0.2
105.01842	1.5
105.07000	1.0
106.04126	0.6
107.04931	1.1
107.08584	0.3
108.04461	0.6
109.02871	2.4
109.10117	0.4
111.04381	0.3
115.05408	0.4
117.06978	0.3
117.90931	0.2
119.08559	0.4
121.06483	0.5
123.04401	3.3
124.05196	1.0
126.05502	0.2
127.03909	3.1
129.06998	0.3
131.04858	0.4
133.06476	1.2
134.05984	0.4
135.04364	0.2
137.05946	0.5
145.04936	1.0
145.06441	0.9
147.04356	0.3
149.05978	0.3
151.03896	0.8
151.07527	0.5
152.04681	1.3
153.05460	1.0
155.07008	0.3
155.08447	0.3
159.02869	1.4
161.06000	2.1
163.07542	0.4
167.07014	100.0
168.07350	1.5
173.05916	0.3
175.07458	0.5
177.09076	0.5
181.08540	1.6
193.08580	3.3
205.08623	1.0
207.10078	1.8
212.22183	0.3
219.10121	0.9
221.11769	0.7
231.04965	0.4
231.10133	0.2
233.08075	0.5
233.11594	0.3
237.11191	1.8
239.12746	0.3
243.06224	0.2
245.11819	0.2
247.13301	0.3
248.07571	0.4
251.12724	0.3
253.14166	0.4
265.14297	1.1
401.19528	3.8
415.21237	1.2
419.20593	16.2
420.20956	0.6
425.19080	0.3
486.35648	1.2
504.36896	0.5
509.21512	0.8
522.37744	2.0
527.22607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93287	0.8
53.03933	2.9
55.01863	1.4
55.05507	8.7
57.03424	3.4
57.43538	0.9
65.03935	1.7
67.05495	25.9
69.03415	0.9
69.07059	6.6
71.04979	1.0
77.03909	1.0
79.05481	41.3
79.46300	0.8
81.03416	4.8
81.07042	22.5
83.04974	6.9
83.08608	4.7
85.02877	0.9
85.06543	1.3
89.72766	0.8
91.05463	31.5
93.07027	41.4
95.04953	11.8
95.08590	13.3
97.02850	0.9
97.06506	2.0
97.10121	1.8
98.20896	4.2
103.05495	1.3
105.07010	21.9
107.04915	3.7
107.08583	8.7
109.06535	3.9
109.10148	1.8
111.08029	1.1
115.05453	1.3
117.06990	5.4
119.08562	13.3
121.06495	1.9
121.10127	2.6
123.08070	2.4
128.06262	1.1
129.07004	10.5
131.08569	2.7
133.10091	5.3
135.11646	1.8
140.53120	0.8
141.08997	0.9
143.08534	4.8
145.10103	5.5
147.07980	1.3
147.11656	20.4
161.09596	2.9
161.13220	5.6
163.11153	0.9
171.11653	15.4
172.12044	1.0
189.12724	8.2
207.13774	23.9
225.14806	3.6
256.92139	0.8
263.16357	1.9
281.17419	46.5
282.17694	1.3
469.29282	2.4
487.30484	100.0
488.31030	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	685.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01850	1.0
57.03417	0.7
57.15746	0.4
61.02915	1.0
62.55545	0.4
67.05495	0.4
68.99770	1.2
69.03407	0.9
69.49217	2.8
69.49637	0.9
70.06562	0.6
72.08166	0.5
73.02869	0.6
79.05480	1.5
81.03402	0.9
81.07069	0.4
85.02886	5.4
87.00800	0.8
91.05441	0.8
95.04973	2.2
97.02869	0.7
98.21421	0.8
103.03894	0.7
107.04935	100.0
108.05244	2.1
109.02874	1.4
109.27032	0.4
119.04932	1.1
121.02838	1.1
121.06446	1.0
123.04388	0.8
127.03905	0.5
129.01804	1.4
131.04886	2.0
132.88493	0.4
133.06465	0.8
135.04407	0.7
137.05948	1.0
139.03879	0.6
145.06516	0.6
147.02884	0.6
147.04391	2.3
149.05960	1.7
151.03876	2.0
159.04326	0.6
161.05934	0.9
163.03847	2.6
165.05565	0.5
171.04372	1.0
173.02209	0.5
173.05907	0.8
175.03807	2.7
177.05461	0.9
181.04967	0.7
181.06413	0.5
185.05960	1.0
187.03888	2.0
187.07547	0.5
189.03918	0.6
189.05376	2.6
191.03297	0.7
191.07155	0.5
193.04895	2.4
199.03920	1.1
199.07443	0.6
201.05440	1.1
203.03288	0.6
203.07004	0.6
205.04893	3.6
213.05460	2.2
215.07019	0.5
217.04933	5.9
219.06557	0.8
222.52631	0.4
223.06010	1.3
225.05380	1.0
227.03384	0.7
227.07013	1.1
229.04951	1.6
231.06424	2.5
233.04373	0.5
235.05911	3.8
237.05522	0.5
241.04852	2.7
243.06519	1.6
245.04526	0.5
245.07961	0.5
247.05971	3.4
251.09123	0.4
253.04955	0.9
255.06436	1.7
259.05981	8.1
271.05853	2.3
273.07358	1.9
277.06863	1.8
279.06494	0.5
283.05988	3.2
285.04178	0.6
285.07565	1.4
287.49979	0.4
289.06934	1.9
297.07498	1.5
299.09198	0.9
301.03714	0.7
301.06964	5.5
311.05817	1.0
311.08923	0.8
313.06952	1.5
317.10294	1.2
319.08405	0.7
323.09174	1.6
325.07117	2.9
327.08539	0.6
329.10040	2.4
332.37271	0.4
339.08652	0.6
341.10077	4.8
343.08194	1.7
353.10242	2.1
355.08084	0.7
359.11362	0.7
361.09283	1.4
365.10172	4.1
367.08203	0.7
377.09976	1.4
383.11188	6.3
389.10028	2.4
395.11227	4.1
407.11212	9.0
408.11569	0.5
419.11469	2.2
425.12149	2.7
426.12384	0.5
429.08701	0.4
431.11115	3.7
443.13025	1.8
449.12296	5.3
450.12427	0.7
461.13171	1.9
467.13281	1.5
473.12268	1.8
485.14325	1.0
491.13385	2.1
499.12460	1.1
509.14172	1.3
511.12683	0.6
515.12274	0.7
517.13281	3.6
527.15637	1.4
529.13928	0.5
535.12537	0.7
553.13196	0.8
565.13251	1.6
571.14423	0.9
583.14288	1.3
595.14331	1.2
603.00104	0.5
613.15076	1.4
618.02002	0.5
631.16504	0.5
685.23511	0.8
695.03088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
53.25117	0.6
53.56248	0.5
55.01851	1.1
55.15727	0.6
57.03431	1.0
61.02913	0.8
67.05480	1.6
69.03162	0.5
69.03422	5.0
69.07035	0.7
69.58321	4.8
71.04973	1.8
73.02915	1.1
78.04694	1.0
79.05486	6.4
81.03406	5.4
81.07042	2.2
85.02898	8.6
87.00811	4.1
91.05463	3.3
91.35632	0.6
93.07039	1.3
95.04945	2.5
95.08577	1.7
97.02879	4.0
99.04430	1.9
102.80127	0.6
103.05470	1.5
105.01822	2.2
105.07009	2.4
107.04939	19.1
107.05660	1.1
107.08563	1.2
108.04458	1.0
109.02869	4.8
109.10122	1.0
115.05431	1.4
117.01836	0.6
117.06977	0.8
119.08543	1.0
121.06565	1.4
121.15652	0.6
123.04420	4.5
124.05190	4.0
125.05964	2.4
127.03901	6.8
129.06963	2.1
131.04913	1.6
131.08553	1.0
133.06471	2.3
135.07956	0.8
137.05960	3.7
143.08551	0.7
145.04964	2.7
145.06412	1.6
147.04379	1.1
147.08043	2.7
149.05959	0.9
151.03871	1.2
151.07516	2.6
152.04649	1.7
153.05424	2.7
157.06467	1.1
157.10060	3.0
159.02885	2.2
161.05937	2.5
161.09634	0.6
163.07510	4.4
167.07016	100.0
168.07425	1.3
171.07874	0.9
175.07523	3.6
177.09073	2.5
179.07037	1.7
181.08604	3.6
185.09599	2.5
189.09094	0.8
189.12694	2.2
190.67191	0.6
191.10678	1.0
191.12634	0.6
193.08601	8.6
203.10605	0.8
207.10138	13.8
217.12202	17.3
218.12671	0.8
221.11658	1.6
231.04932	0.7
231.13716	0.9
233.11766	0.7
248.07666	0.8
249.14790	8.3
339.15771	1.2
371.18469	5.0
403.21100	51.3
404.21417	2.5
421.22208	0.6
507.16681	0.7
511.23129	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01851	0.6
55.05498	10.2
56.05850	0.6
57.03423	12.6
57.07068	2.3
58.32120	0.5
59.04994	4.6
61.02909	3.2
64.69077	0.5
65.03930	2.6
67.05491	89.1
68.05828	1.4
69.03428	1.5
69.07053	7.0
71.04976	4.1
73.02894	0.9
73.70596	0.6
79.05478	17.3
81.03410	0.7
81.07040	36.0
83.04957	0.8
83.08604	7.8
85.02892	3.9
85.06531	2.7
87.04458	0.6
91.03943	1.6
91.05462	12.0
93.07027	22.3
95.04984	1.4
95.08588	24.6
97.02874	2.1
97.06519	0.9
97.10172	1.8
99.08086	1.2
105.07009	7.2
107.08574	12.4
109.06517	1.0
109.10136	77.9
110.10487	0.8
111.08083	2.4
117.07021	2.2
119.08561	10.6
121.10111	9.4
123.11703	3.6
125.09582	0.9
127.03960	0.7
127.11194	0.8
131.08540	4.2
133.10130	3.8
135.08070	0.6
135.11671	7.0
137.09581	2.7
137.13242	1.7
140.10750	0.5
145.10086	3.9
147.11678	2.8
149.13211	4.7
155.10651	5.8
159.11626	3.0
161.13202	2.5
163.14771	2.9
173.11726	23.1
173.13234	3.1
174.11987	0.8
175.14835	1.6
177.12639	0.6
177.16296	0.9
185.13225	1.2
187.14738	1.4
194.19044	0.6
227.12740	4.7
229.14311	100.0
230.14639	2.8
243.20940	3.3
255.52893	0.7
261.22107	15.9
262.22293	0.8
317.24829	3.7
335.25726	67.3
336.26297	2.9
354.76740	0.6
379.29742	0.8
397.30911	1.4
415.32053	1.1
471.34494	1.5
483.11276	0.6
489.35666	35.2
490.35977	2.7
507.36725	3.5
521.97168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01860	0.8
55.05497	10.7
57.03426	12.3
57.07061	1.9
59.04990	3.0
61.02907	5.3
65.03928	1.9
65.09895	0.7
67.05489	100.0
68.05817	1.2
69.03414	1.3
69.07049	7.8
71.04980	3.7
73.02896	0.7
77.09057	0.6
77.36587	0.6
79.05479	20.1
80.11313	0.6
81.07038	36.4
83.08599	7.7
85.02863	4.3
85.06535	3.1
91.02826	0.8
91.03946	1.9
91.05458	14.4
93.07024	28.0
95.04969	2.6
95.08587	27.0
95.09202	1.5
95.17935	0.7
97.02876	1.3
97.06507	1.1
97.10159	1.9
99.04542	0.8
99.08080	1.3
103.85451	0.7
105.07003	6.3
105.11496	0.7
107.08573	14.3
109.10131	76.2
110.10477	0.9
111.08060	3.2
117.07010	2.9
119.08543	11.3
121.10106	11.9
123.11684	4.3
124.73936	0.7
125.09589	1.1
126.07842	0.6
131.08534	5.3
133.10083	5.6
135.11676	6.9
137.09628	2.7
137.13229	1.1
139.11221	0.7
144.73483	0.8
145.10069	4.1
147.11652	3.4
149.09503	0.7
149.13235	4.7
155.10612	6.3
159.11691	3.2
161.13290	3.2
163.14848	2.2
173.10172	1.1
173.11725	23.6
173.13246	3.8
187.14874	2.0
189.11255	1.4
201.16422	0.9
227.12740	4.8
229.14304	87.3
230.14719	1.5
233.22865	0.7
233.91605	0.7
243.21072	5.5
261.22089	17.2
261.24686	1.1
317.24570	3.4
335.25726	79.5
336.26071	2.1
379.30035	1.2
391.39307	0.7
397.30750	1.2
462.19876	0.7
471.34943	1.5
489.35672	60.3
490.36069	3.4
507.37119	3.5
512.72498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
55.05484	2.1
57.03411	0.8
67.05484	5.5
69.07036	2.5
70.73263	2.0
70.73611	1.6
79.05467	4.1
79.65797	0.7
81.03397	2.3
81.07033	7.5
83.04935	1.0
91.05458	4.3
93.07021	5.6
95.04953	1.7
95.08579	3.2
97.02849	1.1
97.06475	0.9
97.10129	1.1
105.07008	6.4
107.04933	1.9
107.08580	2.6
109.06464	1.3
109.10132	0.8
117.06990	2.4
119.08524	3.6
120.08052	0.8
121.10132	1.7
123.11640	0.8
131.08546	1.7
133.10077	3.4
134.09567	0.8
135.11694	1.2
140.77437	0.9
145.10089	2.9
147.11661	1.8
148.46635	0.8
159.11653	1.6
161.13210	1.1
170.09549	0.8
172.07521	0.8
179.14268	1.2
183.09035	1.1
187.08549	1.0
196.09908	0.8
197.10706	1.5
208.09731	1.7
209.10683	6.6
210.11411	2.6
211.08633	1.3
211.12239	2.4
213.06598	1.4
213.10165	1.5
221.10620	1.4
222.11455	2.3
223.08574	1.8
223.12102	5.6
224.09346	1.0
224.12982	4.8
225.13824	3.5
227.08118	1.7
232.09663	1.2
235.12155	2.0
236.09419	1.4
236.13106	1.3
237.10196	2.3
237.13815	15.5
238.10841	1.0
238.14622	8.0
239.08035	0.9
239.15445	4.9
241.09572	1.8
249.10178	1.0
250.11026	0.9
251.08223	0.9
251.11713	2.3
253.13263	2.2
255.07628	0.8
255.11121	1.3
257.18683	1.0
265.13321	10.3
266.14206	3.9
267.14905	4.4
269.09088	1.5
273.12354	1.8
275.20007	5.8
282.13498	1.1
293.12589	1.2
297.12320	2.3
297.15799	1.1
300.15030	1.7
301.11896	1.6
302.16336	1.0
309.12305	0.9
309.15720	1.0
311.10312	1.2
314.12967	1.3
314.16202	1.5
315.13455	3.9
316.13943	1.1
325.15363	9.1
326.12592	1.6
326.16180	1.6
327.13510	1.3
327.16968	4.0
328.14246	2.1
328.17941	1.5
335.14050	1.0
336.14517	1.0
339.17834	1.7
342.19446	1.1
343.12857	2.1
368.13898	0.9
374.18509	0.9
377.18063	0.8
386.18719	1.6
388.20032	2.7
389.20999	1.2
392.17154	0.9
394.17590	1.2
395.18558	1.2
400.16263	2.1
401.20868	1.3
402.21472	2.5
404.23163	2.2
405.16898	1.5
407.18582	1.7
409.20291	1.8
410.14926	0.8
414.17828	1.3
420.19614	1.0
430.20697	1.7
432.19098	1.3
433.20273	1.2
437.19534	2.2
439.21530	0.9
451.21411	1.4
461.19672	1.3
481.22116	1.9
482.22418	1.2
490.22488	1.5
491.24118	1.7
497.25031	3.2
506.22775	1.6
507.23929	3.9
510.22040	1.2
511.23224	1.6
521.25311	2.2
522.25452	1.0
524.23724	2.2
525.24908	7.5
535.23108	1.6
539.26208	1.6
540.27527	1.9
549.24658	2.8
553.24493	2.6
567.25720	4.5
568.26361	1.7
577.24414	1.0
579.26038	1.6
595.25610	4.4
609.27087	16.0
610.26923	1.3
611.28564	1.9
613.26318	1.5
627.27991	35.2
627.38446	1.6
628.27777	3.0
637.26746	4.8
655.27490	100.0
656.27448	7.2
687.29718	2.0
687.40332	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	688.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01857	0.7
57.03384	0.4
59.54974	0.3
61.02880	0.3
62.71070	0.3
63.30774	0.3
65.03902	0.4
69.03413	2.7
70.06566	0.6
71.04961	0.7
71.68929	0.3
71.69316	0.4
78.04691	1.9
79.05479	2.2
81.03401	2.4
85.02891	4.3
87.00816	1.8
91.05461	1.5
93.07018	0.6
95.04935	1.5
95.08586	0.3
97.02866	2.1
99.04424	1.2
103.05436	2.9
105.01859	0.7
105.07006	4.5
106.04153	1.1
107.04948	6.2
109.02905	1.8
109.06522	0.7
111.04414	1.5
115.05442	1.9
117.01819	0.4
117.06982	0.9
119.04913	0.6
121.02770	0.4
121.06496	1.7
122.68449	0.3
123.04402	4.8
123.08032	0.7
124.05199	2.4
125.05943	0.7
127.03863	2.2
129.06992	0.9
131.04900	5.9
131.08595	0.8
133.06462	4.8
135.04468	0.4
135.08002	1.4
137.05968	3.1
139.03848	0.7
141.06924	0.6
143.08540	0.5
144.05693	1.1
145.04924	1.1
145.06458	2.4
147.04391	2.1
147.07971	0.6
149.06020	0.7
151.03896	1.6
151.07507	3.7
152.04678	2.4
153.05455	0.8
157.06464	0.8
158.07234	0.7
159.02844	0.7
159.08000	1.7
160.05185	0.4
161.05968	6.1
163.07520	10.4
167.07011	100.0
168.07378	1.5
169.06410	0.8
171.07936	0.4
173.05968	1.3
173.09578	1.2
175.07524	2.0
177.05441	0.7
177.09099	2.0
178.06355	0.4
179.06998	3.3
181.08595	5.3
186.06752	0.4
187.07491	2.8
189.09093	0.8
191.06938	0.4
192.07819	0.8
193.08562	15.2
195.10123	0.5
201.09071	1.9
203.08585	0.5
204.07819	0.5
205.08557	1.8
207.10158	0.9
211.09648	0.7
217.08566	1.4
219.10057	2.3
221.11703	0.4
227.06821	0.4
231.10109	0.9
233.11682	3.5
237.11246	3.3
248.08260	0.4
249.11232	1.7
251.12625	1.5
263.10651	0.6
265.09607	0.5
271.05630	0.5
277.10574	0.4
291.10196	0.7
313.11685	0.5
323.12894	1.7
325.11801	0.9
341.13654	0.4
353.11215	1.0
355.15332	12.1
373.14117	0.5
387.17975	11.8
388.18182	0.5
397.16412	0.6
405.19012	30.0
406.19345	1.5
413.15952	0.4
415.17639	0.5
423.20239	0.7
429.18970	0.8
494.19156	2.2
495.19589	0.5
513.20972	0.5
526.21869	0.5
531.22070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01862	0.9
55.05495	2.9
57.03421	1.8
65.03957	0.8
67.05498	8.4
69.03416	2.9
69.07047	2.1
69.49400	6.7
69.49813	1.8
71.04965	1.3
79.05480	7.8
81.03410	8.1
81.07048	8.6
83.04958	2.6
83.08603	2.3
84.34956	0.7
85.02884	2.0
86.09686	0.9
89.06068	1.2
90.37725	0.7
91.05471	8.5
93.07035	6.5
95.04958	2.0
95.08587	5.9
97.02872	3.4
97.06526	1.0
98.21011	3.3
105.07007	6.1
107.04951	1.2
107.08569	2.9
109.02879	1.1
109.06504	1.0
109.10127	1.7
111.04436	1.0
117.07014	2.9
119.08577	3.7
121.10133	2.9
127.03898	2.1
128.06183	1.0
129.05515	1.7
129.06990	2.2
131.08549	4.3
133.10118	3.6
135.11588	0.9
143.08571	1.6
145.10112	2.1
147.11676	3.0
149.09573	1.4
149.13211	1.0
155.08578	1.5
157.10098	2.6
159.11659	1.7
165.12758	1.0
169.10126	1.5
171.11685	1.5
173.04410	1.7
175.11136	1.7
184.07368	2.6
187.14905	0.9
193.12398	1.0
193.83504	0.8
259.20535	1.0
267.15884	1.1
295.20352	0.8
335.25729	2.6
370.10681	0.8
383.11716	1.8
384.12173	3.5
385.13037	4.8
386.14221	1.5
397.12860	2.1
398.13712	8.8
399.14517	12.3
400.15439	19.0
401.15628	2.5
403.15033	1.2
411.14822	2.2
412.15338	7.0
413.16101	17.6
414.16791	12.5
416.14664	2.0
418.17438	1.8
423.14407	1.0
425.16306	1.4
426.16733	2.7
427.12976	1.4
427.18179	12.4
428.18683	15.9
429.19388	12.5
430.19949	0.9
435.32336	0.9
440.14130	1.4
440.19214	1.1
441.14520	5.1
441.20532	1.3
442.16278	12.5
443.13031	1.3
444.14404	2.4
445.14117	1.1
445.19272	1.1
446.17062	1.7
455.17081	36.6
456.17712	18.1
457.14566	0.8
457.18506	1.5
458.15796	3.7
459.16565	6.1
466.12540	1.1
469.15021	3.1
470.19849	0.9
471.17282	1.6
473.18579	1.1
481.14868	1.8
483.16559	28.8
484.15973	4.9
486.18939	1.7
487.15546	2.4
487.20621	1.4
488.16437	1.4
495.16733	2.1
496.17493	1.0
499.15848	6.8
500.16824	1.8
509.14774	1.2
511.19485	2.8
515.19409	1.3
516.19574	1.6
523.09290	1.0
523.16046	3.3
526.14807	1.2
527.15521	26.4
527.37183	7.2
528.15759	7.3
537.17694	1.3
538.18262	1.4
539.19153	9.2
543.22241	18.6
544.22485	2.9
545.37317	1.0
555.18451	1.4
571.21826	100.0
572.21979	11.8
574.24109	9.4
586.20569	1.6
587.20660	1.9
601.22772	8.3
602.23669	41.6
603.23602	4.4
615.20496	2.9
617.25769	3.1
629.22357	35.9
629.32819	1.7
630.22772	21.2
631.22791	2.3
633.26013	1.4
643.23901	1.9
657.21881	62.0
658.22229	5.4
661.24988	4.8
689.24323	18.3
689.42004	4.7
690.24426	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	689.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01868	0.9
55.05500	3.2
57.03416	1.9
61.02912	5.0
63.04073	0.5
65.03936	0.7
67.05495	8.5
69.03410	4.6
69.07059	2.4
70.41064	1.6
71.04969	1.1
73.02893	3.0
79.05474	8.0
80.05811	0.5
81.03400	5.1
81.07050	8.3
82.03708	0.6
83.04971	2.4
83.08596	2.2
85.02888	4.7
85.06476	0.6
91.03946	2.4
91.05457	8.6
91.05975	0.9
93.07030	8.8
94.07372	0.6
95.04929	3.1
95.08587	5.1
95.90543	0.5
97.02878	3.8
97.06524	1.1
99.04430	1.2
101.02362	1.9
103.04003	0.4
105.07007	7.0
107.04935	2.0
107.08592	2.6
109.02843	1.7
109.06485	1.0
109.10114	1.3
113.04346	0.5
115.03930	0.6
117.06992	1.9
119.08565	3.9
121.06477	0.5
121.10129	1.6
123.08055	0.9
127.03904	1.6
129.06995	3.7
131.08566	1.7
133.10115	2.0
135.11674	1.1
143.08551	1.9
145.10107	1.8
147.08040	0.7
147.11658	4.2
157.06381	0.5
157.10109	1.0
159.11661	1.3
161.13293	0.8
163.11284	0.5
165.12863	0.5
169.10063	0.7
171.11650	2.9
184.07336	1.6
185.13219	0.5
195.11569	0.9
196.11923	0.6
207.13811	0.7
224.45877	0.5
243.08421	1.7
247.13019	2.2
278.53485	0.5
281.17590	0.6
297.83734	0.6
303.15823	0.6
465.20874	16.4
466.21268	1.1
527.29352	0.5
527.36664	1.6
653.39325	0.7
657.25635	0.9
671.40411	1.2
689.34839	100.0
690.35284	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.4
54.09169	1.7
55.01857	8.3
55.05504	35.9
57.03429	16.9
57.07064	4.3
59.05016	2.0
61.02914	12.0
63.68040	1.8
64.80148	1.9
65.03936	5.5
67.05493	72.4
68.05840	2.2
69.03420	30.6
69.07059	27.2
69.93307	11.2
70.22194	1.9
71.01344	3.2
71.04993	9.2
73.02898	8.6
79.05479	58.3
81.03407	74.8
81.03884	4.5
81.07044	74.3
83.04968	18.7
83.08608	13.5
85.02886	16.5
85.06536	2.8
86.73859	2.5
87.04405	2.0
91.03955	4.5
91.05469	46.8
93.07029	63.5
95.01332	2.4
95.04951	28.2
95.08596	45.5
97.02881	27.0
97.06542	9.7
97.10165	7.0
99.04450	8.7
103.03911	4.3
105.07011	44.5
107.04944	12.2
107.08580	40.8
109.02856	12.3
109.06509	10.5
109.10136	16.5
111.04446	3.5
111.08065	6.7
113.05959	2.6
115.05438	3.8
117.07005	23.5
119.08566	34.5
121.06492	9.0
121.10123	23.9
123.04394	13.2
123.08071	4.2
123.11717	6.4
127.03908	12.9
128.06192	7.5
129.05467	5.3
129.06990	20.1
130.07791	2.6
131.07626	3.7
131.08553	36.3
133.06453	5.1
133.10118	25.6
135.08041	8.4
135.11656	15.9
137.05954	3.2
137.09595	2.7
137.13263	2.9
141.06984	6.1
142.07745	4.7
143.08556	21.7
145.06512	3.9
145.10115	28.8
147.04427	3.8
147.08057	6.9
147.11639	23.2
149.05949	2.6
149.09599	4.0
149.13237	9.0
155.08513	11.4
157.06447	2.6
157.10104	23.5
159.08035	3.8
159.11681	20.9
161.09544	3.9
161.13231	6.4
163.11201	9.4
163.14822	2.2
165.12737	5.6
167.08539	4.8
169.10027	12.7
171.11644	18.3
173.04437	24.5
173.05812	3.7
173.09657	4.1
173.13274	14.5
175.11205	4.1
175.14865	3.7
175.55457	2.1
177.12740	2.5
179.08549	4.6
180.09348	2.3
181.10071	6.9
183.11673	12.0
185.09634	3.2
185.13251	9.8
187.11118	4.3
189.12714	3.2
193.09996	2.9
195.11736	7.4
195.13699	2.1
197.09648	2.9
197.13228	11.4
199.11188	4.8
199.14778	9.4
201.16296	2.5
205.12242	4.6
207.11548	4.0
209.13283	5.5
211.11127	3.0
211.14751	3.6
213.12761	2.5
213.16412	4.4
223.15016	3.1
225.16411	3.1
235.13063	9.6
243.80928	1.9
257.19009	2.9
259.13269	3.3
259.20593	5.5
261.22195	5.2
267.15933	8.8
269.17444	5.7
273.14789	6.6
273.18286	3.4
275.19885	3.3
285.17096	2.3
291.19403	9.1
301.14279	10.4
301.21448	2.6
309.17114	4.7
319.15701	2.9
335.25748	12.8
339.23172	2.8
351.22729	3.2
361.20319	2.1
375.18069	4.1
391.26135	2.1
411.20319	3.0
412.15497	5.2
413.16052	3.1
413.21277	2.3
429.31445	2.4
435.32675	10.2
441.26654	2.7
453.33566	5.4
455.17255	10.0
471.34634	2.7
483.16718	6.0
509.36093	5.7
517.38477	5.3
525.35693	6.7
527.37244	100.0
528.38080	9.2
529.38232	3.3
539.37292	2.1
545.38324	9.2
569.38116	4.4
574.24194	3.2
601.22711	2.9
602.23749	19.5
603.24347	3.7
611.39569	3.1
623.39008	2.3
629.22687	4.9
635.39001	6.5
653.40326	11.0
657.21198	3.6
671.41327	12.3
689.42468	45.3
690.42664	4.8
718.02826	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	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83531	1.7
53.03938	9.0
53.45721	1.7
53.95786	1.8
55.01862	10.6
55.05502	30.2
56.70246	1.8
57.03434	16.2
57.07055	4.1
61.02910	17.0
65.03931	3.4
67.04919	2.1
67.05135	3.8
67.05494	78.8
69.03422	28.1
69.07053	22.3
70.09824	5.1
70.10236	5.6
71.04972	5.5
73.02903	7.3
79.05482	59.8
81.03407	50.5
81.07043	84.7
83.04963	15.4
83.08611	14.7
85.02880	15.3
85.06528	4.6
91.03948	7.8
91.05463	56.0
92.05785	2.3
93.07029	65.3
95.04951	17.4
95.08591	41.4
97.02875	28.4
97.06524	6.5
97.10172	2.7
99.04453	5.7
99.08042	2.2
101.02406	2.0
103.05457	3.1
105.04520	2.5
105.07015	48.5
107.04955	9.5
107.08577	38.3
109.02874	13.7
109.06504	8.0
109.10152	18.7
111.04465	3.7
111.08054	4.3
115.05407	2.7
117.06995	25.3
119.08568	36.1
121.06474	7.3
121.10130	22.9
123.04400	2.8
123.08056	5.0
123.11692	6.9
125.09618	3.0
127.03906	10.1
128.06212	5.6
129.06960	18.3
130.07800	2.2
131.08549	33.6
131.09456	3.2
133.06474	2.9
133.10115	27.7
135.08005	5.1
135.11691	15.5
141.06996	8.0
142.07771	6.9
143.08534	21.3
145.06525	4.8
145.10089	33.0
147.04425	2.4
147.08032	6.6
147.11662	29.7
148.12099	2.2
149.09608	7.4
149.13222	14.5
151.11186	2.4
153.07011	2.7
154.07817	2.2
155.08522	14.9
157.06601	2.3
157.10100	24.3
159.08080	3.5
159.11644	24.4
161.09639	2.8
161.13235	10.8
163.11130	4.3
165.12758	5.5
167.08572	5.5
169.10069	16.1
171.07965	3.0
171.11653	19.5
173.09595	2.5
173.13257	12.7
175.11125	3.7
175.14838	5.2
177.12659	4.5
179.08569	4.5
181.10136	10.5
183.11642	13.7
185.09662	3.4
185.11809	2.3
185.13148	12.8
187.14772	6.3
193.10190	3.0
193.12311	2.6
195.11688	5.5
195.13747	5.0
197.09486	2.4
197.13239	8.1
199.11273	2.5
199.14853	5.3
201.12698	2.4
201.16455	2.6
207.11702	3.4
209.13231	5.3
211.11218	2.3
211.14842	3.5
213.12767	3.8
213.16374	2.9
215.14383	3.0
219.11726	2.4
221.13235	3.5
223.14946	2.5
227.14365	3.0
235.13174	3.4
237.16356	2.3
241.19456	3.5
257.19159	2.6
259.20560	10.0
261.22095	5.3
267.15829	10.3
269.17383	9.3
271.20630	3.0
273.14886	3.2
273.18811	2.5
273.21942	2.3
275.19955	3.4
283.20471	2.4
285.16922	5.5
287.19934	2.1
297.22104	2.7
299.19940	2.7
313.21451	3.9
315.23077	3.7
317.21408	2.3
333.24182	8.9
335.26016	9.2
337.24698	2.1
341.24683	2.7
346.24945	1.9
349.21484	3.4
349.88690	2.3
351.22940	3.9
357.24280	2.4
367.22479	7.5
369.23904	3.5
385.23590	4.5
411.20236	2.7
413.21677	5.2
417.31686	2.3
435.32498	11.3
441.26852	2.2
442.50665	2.1
453.33597	4.6
471.34830	2.0
525.35559	3.3
527.37274	100.0
528.37390	6.4
529.38379	3.2
536.76849	2.0
539.36829	2.9
543.36847	3.0
545.38422	4.0
551.36993	2.7
569.38086	3.8
581.38330	3.9
597.37158	2.2
611.39471	4.4
623.38586	3.1
635.39349	8.8
653.40613	11.1
661.32556	2.3
671.41260	14.6
672.41199	2.4
689.42413	32.4
690.42102	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	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03937	9.0
55.01863	5.9
55.05505	25.7
57.03425	15.3
57.07056	4.4
59.04985	2.2
61.02917	10.7
65.03924	2.7
66.67390	1.3
67.05495	63.6
69.03418	25.2
69.07058	21.7
69.45384	14.8
71.01341	3.2
71.04976	9.8
71.18801	1.3
73.02906	5.4
79.05019	2.7
79.05481	49.8
81.03405	58.6
81.07043	74.4
83.04972	14.7
83.08600	15.2
85.02880	16.7
85.06519	4.3
91.03943	5.8
91.05463	47.9
93.06435	2.9
93.07027	57.5
95.04961	13.9
95.08588	41.7
97.02879	29.3
97.06528	8.1
97.10137	5.7
99.03852	1.5
99.04430	7.9
101.02352	2.1
101.06043	1.6
105.04491	2.2
105.07012	51.0
106.07317	1.4
107.04926	5.6
107.08573	31.7
109.02867	8.3
109.06509	6.7
109.10138	15.8
109.53684	1.5
111.04431	3.8
111.08070	3.3
115.03913	1.5
115.05414	3.4
117.06999	26.2
119.08557	32.7
121.06491	3.2
121.10133	25.7
123.04428	2.1
123.08045	4.2
123.11703	8.2
125.09602	2.1
127.03912	12.1
128.06206	5.9
129.05464	5.5
129.06964	18.5
130.07700	1.8
131.08542	33.8
133.06474	3.1
133.10109	25.1
135.08026	4.5
135.11678	15.5
141.07005	6.8
142.07750	5.4
143.08548	20.6
145.06476	2.9
145.10097	29.6
147.08014	3.8
147.11659	28.4
149.06010	1.5
149.09590	4.0
149.13235	10.0
151.11194	2.2
153.06900	1.8
154.07759	2.7
155.08533	15.6
156.09343	2.7
157.10094	20.0
159.08047	2.5
159.11670	21.7
161.09656	2.7
161.13252	9.7
163.11148	2.0
163.14749	1.7
165.12709	8.0
167.08551	5.8
168.09299	2.2
169.10071	15.3
171.08064	2.3
171.11636	17.7
173.04440	11.7
173.09576	3.3
173.13219	13.0
175.11211	4.1
175.14784	4.2
177.12759	3.9
179.08554	1.6
179.14369	1.6
181.10088	9.0
183.08017	1.5
183.11627	13.3
184.07352	1.5
185.09683	2.0
185.13200	13.7
187.11143	3.1
187.14700	6.5
193.10136	4.5
193.12125	1.9
195.11678	7.2
195.13734	4.0
197.13251	11.2
199.05975	2.2
199.11198	3.4
199.14781	7.8
201.16423	1.9
207.11665	4.3
209.13249	5.9
211.11241	1.7
211.14760	6.2
213.12794	2.4
213.16449	2.1
219.11620	1.7
221.13182	3.3
223.14841	5.0
225.12581	1.6
225.16478	3.2
229.14188	2.3
231.21057	1.6
237.16391	2.4
239.17963	2.4
241.19484	3.7
249.16565	2.3
253.19452	1.7
255.17328	1.5
257.18906	3.1
259.20441	9.3
261.22110	5.4
267.15805	9.6
269.17435	6.0
269.38107	1.9
271.20419	2.2
273.21985	1.9
275.19983	2.9
283.20587	2.1
285.17035	2.9
295.20566	1.8
297.22089	2.9
299.20145	2.7
301.21655	2.9
311.23654	1.8
321.21954	2.1
323.23633	2.7
333.24170	5.4
335.25983	8.4
339.23279	2.5
351.23016	3.2
355.77457	1.8
367.22568	3.2
369.24017	2.2
375.25314	1.7
385.23441	1.9
411.20355	1.7
413.21597	3.8
417.31641	1.9
433.30676	1.5
435.32556	10.7
453.33264	7.7
460.15842	1.6
471.34729	4.8
473.33777	1.5
509.36118	6.7
515.37225	2.0
517.38495	2.9
525.35364	3.8
527.37244	100.0
528.37494	6.4
529.38727	3.1
533.36487	1.6
537.35492	1.7
539.37256	3.9
543.36145	2.1
545.38269	8.0
569.37988	2.6
593.38098	2.0
623.38708	1.5
635.39063	5.3
653.39819	6.8
671.41443	11.1
689.42529	39.1
690.42474	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	689.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49236	1.4
53.03937	10.6
55.01864	8.0
55.05505	26.8
57.03432	12.1
57.07059	3.8
61.02913	9.4
65.03919	4.7
67.05138	2.7
67.05494	50.9
69.03417	25.2
69.07058	19.7
71.01337	2.0
71.04996	9.7
73.02899	7.2
79.05480	41.8
81.03408	64.5
81.07043	69.2
83.01329	1.5
83.04973	16.7
83.08607	12.4
85.02883	14.0
85.06509	4.9
86.09750	1.6
91.03934	4.8
91.04924	2.9
91.05466	46.2
91.06034	2.7
93.07030	49.3
95.04960	13.3
95.08002	2.4
95.08589	36.0
97.02882	28.1
97.06514	8.1
97.10143	6.1
99.04446	7.8
99.08043	1.7
101.02292	1.9
103.05470	3.2
105.06330	3.0
105.07014	41.9
107.04926	3.8
107.08575	28.6
109.02887	9.4
109.06512	5.4
109.10139	14.4
111.04419	3.5
111.08038	2.8
115.05437	2.7
117.06982	20.7
119.08567	35.1
121.06499	3.2
121.10126	21.2
123.04408	2.2
123.08037	3.5
123.11698	6.6
125.09616	1.8
127.03905	10.8
128.06206	6.5
129.05426	6.8
129.06985	16.7
130.07803	2.0
131.07654	2.5
131.08556	35.8
133.06471	4.0
133.10115	24.8
135.08006	3.5
135.11649	11.7
137.09598	2.9
139.11162	2.1
141.06941	5.8
142.07814	3.0
143.08548	18.4
145.06512	3.2
145.10083	24.8
147.08026	2.4
147.11653	26.0
149.09586	4.1
149.13266	7.8
154.07738	2.2
155.08519	12.3
156.09314	2.0
157.10097	20.4
159.08017	2.7
159.11682	22.7
161.05704	1.6
161.09586	2.3
161.13298	8.0
165.07111	2.0
165.12810	4.0
167.08539	5.1
168.09297	2.1
169.10127	17.3
171.11678	13.6
173.04430	13.9
173.09572	2.3
173.13211	9.7
175.14813	6.8
177.12698	4.6
179.08469	2.0
181.10075	7.1
183.07951	2.5
183.11676	12.6
185.09665	2.5
185.13225	11.9
187.11209	2.3
187.14786	6.5
193.10085	2.1
193.12227	1.7
195.11673	8.4
195.13699	3.7
197.09627	2.7
197.13235	10.3
199.05943	2.3
199.14859	6.2
207.11674	3.3
209.13203	5.7
211.14818	4.4
213.16507	3.7
221.13141	4.7
223.14803	5.5
225.16333	3.0
235.14742	2.9
237.16313	3.5
239.18050	2.0
241.19540	3.8
243.21063	3.2
257.18851	2.6
259.20575	7.5
261.22067	4.6
267.15915	9.8
269.17401	5.4
271.20551	3.2
273.14993	1.8
275.20129	2.0
283.20529	3.6
285.16901	3.9
289.21790	1.8
297.22128	2.7
309.21954	2.4
311.23560	1.9
313.21683	2.0
315.22913	2.5
321.22211	2.6
323.23514	3.4
333.24106	5.1
335.25803	6.6
339.23309	1.9
341.24716	2.1
351.22873	2.0
387.25500	2.0
411.20352	2.0
413.21729	4.1
435.32483	12.4
443.27228	2.5
453.33490	6.6
459.27222	2.0
471.34396	3.4
509.36099	6.5
525.35217	2.9
527.37280	100.0
528.37518	7.9
529.38885	2.3
539.37390	3.6
543.35999	4.2
545.38458	10.5
551.37256	2.4
569.37720	2.4
617.37653	2.5
635.39038	5.4
653.39990	7.2
671.41699	9.0
689.42377	34.9
690.42627	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	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03937	6.1
55.01865	7.0
55.05499	23.5
57.03423	10.0
57.07055	3.5
61.02918	15.3
65.03915	4.9
67.05490	54.8
67.67184	1.1
69.03417	19.0
69.07056	23.4
71.01350	1.7
71.04977	7.3
73.02914	7.9
77.03874	1.3
79.05476	45.1
81.02936	2.5
81.03403	40.4
81.07039	65.3
82.07396	1.4
83.04967	12.7
83.08598	11.2
85.02885	19.5
85.06529	4.7
87.04449	1.7
91.03951	6.7
91.05462	40.9
92.05814	1.7
93.07023	46.5
94.07391	1.3
95.04951	14.6
95.08591	35.6
97.02879	22.7
97.06487	6.9
97.10149	5.6
99.04427	6.9
99.08065	2.1
101.02347	1.6
103.03903	1.9
105.07011	41.4
107.04925	6.0
107.08567	24.3
107.09245	1.9
108.08898	1.5
109.02869	10.4
109.06508	4.1
109.10125	13.8
111.04429	3.8
111.08076	3.1
115.05427	2.8
116.06239	1.5
117.06996	21.2
119.04987	1.1
119.08564	30.1
120.08879	1.2
121.06486	4.7
121.10117	19.4
123.04411	4.4
123.08041	3.7
123.11666	7.5
125.09627	2.4
127.03883	9.2
128.06206	4.9
129.05466	4.0
129.06978	19.3
131.04961	1.5
131.08540	32.3
132.08975	1.5
133.06485	2.1
133.10107	19.3
135.08060	3.2
135.11650	10.2
137.09605	3.6
137.13275	1.6
139.11171	3.1
141.06972	6.9
142.07779	4.0
143.08536	21.6
143.52222	1.2
144.09271	1.1
145.06512	2.2
145.10094	27.2
146.10461	1.7
147.04308	1.9
147.08034	2.6
147.11650	18.2
149.09637	2.7
149.13213	6.5
151.07478	1.5
151.11177	1.7
153.07024	1.9
154.07649	2.3
155.08505	15.2
156.09315	2.6
157.06517	1.7
157.10103	22.6
159.08095	3.1
159.11650	21.5
161.09612	2.6
161.13237	7.9
163.11168	2.9
165.06981	2.1
165.12793	3.5
166.07787	2.0
167.08549	6.0
168.09337	2.3
169.10081	15.9
170.10825	1.1
171.08017	1.7
171.11673	18.9
173.04404	6.6
173.09566	1.7
173.13240	12.0
175.11169	2.2
175.14815	2.6
177.12743	2.6
179.08559	3.6
181.10054	10.5
182.10823	1.5
183.11665	13.3
185.09671	2.4
185.13182	11.3
187.11159	2.5
187.14848	3.3
189.12686	1.7
193.10141	4.0
193.12119	1.2
195.11688	9.7
195.13463	1.6
196.12465	1.3
197.09608	1.7
197.13219	9.9
199.11273	3.8
199.14722	6.1
201.12737	1.2
201.16469	2.1
203.12700	1.6
207.11717	3.7
209.09593	1.1
209.13290	4.8
211.14816	5.9
213.16460	2.8
215.14331	2.0
221.13283	3.5
223.14859	3.7
225.12781	1.5
225.16385	2.8
227.14317	1.6
229.79639	1.5
235.13037	1.8
235.15004	2.3
239.17905	1.8
243.15981	1.6
243.21190	1.7
259.13321	1.8
259.20581	4.5
261.22086	4.0
267.15787	5.8
267.21259	1.8
269.17413	3.4
271.17047	1.3
271.20566	1.8
273.14700	1.2
279.21140	1.3
283.20554	3.0
285.17041	1.4
285.22076	2.7
287.20090	1.6
289.21539	1.6
295.20364	1.2
297.22144	2.5
299.20117	1.7
301.14407	2.4
301.21671	1.9
303.23291	1.1
307.20737	1.2
309.22083	2.6
311.20172	1.6
311.23779	1.7
313.21661	1.9
315.23474	2.8
323.23929	2.5
333.24463	2.4
335.26138	6.1
339.23154	2.7
341.24780	2.0
353.24695	1.4
367.22546	2.4
369.24039	2.2
379.26797	1.4
385.23425	1.4
411.20157	1.9
413.21561	2.5
417.31525	4.3
435.32425	11.1
453.33560	7.0
471.34686	3.4
491.34738	2.7
501.35568	1.6
509.36166	9.8
525.35559	3.1
527.37244	100.0
528.37714	9.0
529.38605	2.5
539.37537	3.6
543.36578	1.8
545.38226	5.9
551.37573	1.8
569.38171	5.1
611.39600	1.7
629.39258	1.4
635.39355	5.9
653.40326	7.4
671.41284	8.1
689.42377	37.6
690.42206	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	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.0
52.85415	1.7
53.03944	10.6
54.51551	1.8
55.01857	7.2
55.05503	31.4
57.03431	13.8
57.07064	2.1
61.02912	8.8
65.03935	4.4
67.05491	67.2
67.63992	1.7
68.05843	1.9
69.03416	27.4
69.07052	25.2
69.45815	2.0
69.46121	18.9
71.04971	15.1
73.02893	7.0
79.05478	52.3
80.05830	2.2
81.03401	85.8
81.07040	83.8
82.07380	1.8
83.04963	24.5
83.08602	17.3
85.02892	16.9
85.06516	6.7
87.04470	1.7
91.03938	4.9
91.05462	63.9
93.07025	57.4
95.04948	18.7
95.08589	48.2
95.18375	2.0
97.02872	35.9
97.06499	9.2
97.10143	6.9
98.20673	2.3
99.04462	10.7
99.08085	4.2
101.02357	3.4
105.07007	51.9
107.04958	5.7
107.08572	33.2
109.02866	12.2
109.06487	6.0
109.10137	16.6
111.04416	5.4
111.08064	3.7
114.46793	1.5
115.03883	1.9
115.05468	4.0
116.06189	2.3
117.06995	25.0
119.08553	37.1
120.08880	1.9
121.06499	3.7
121.10127	29.9
123.04405	3.0
123.08047	4.2
123.11678	9.6
125.09629	3.6
127.03913	15.7
128.06200	4.9
129.05449	7.1
129.06999	19.6
130.07707	2.6
131.08543	31.6
133.06488	6.6
133.10107	25.3
135.08002	5.0
135.11679	18.4
137.09572	2.4
140.44138	1.8
141.06989	7.4
142.07741	6.3
143.08527	23.8
145.06410	4.6
145.10095	25.3
147.08032	2.3
147.11650	29.6
149.09637	5.4
149.13278	13.0
151.11169	2.2
154.07666	3.0
155.08485	12.7
156.09259	2.1
157.10094	27.3
159.08032	2.5
159.11670	21.7
161.09561	2.7
161.13237	10.2
163.11143	3.8
163.14735	3.5
165.07011	2.0
165.11504	2.0
165.12653	9.6
167.08548	6.1
169.10123	18.4
171.11670	19.5
173.04460	14.4
173.13213	14.8
175.11134	4.8
175.14806	3.4
177.12772	2.7
179.08490	4.0
181.10092	8.2
183.11700	11.0
184.12416	2.4
185.13190	13.3
187.14748	6.1
189.12755	3.1
189.16458	2.1
193.10101	2.6
193.12181	2.6
195.11703	6.6
195.13770	4.4
197.13300	13.5
199.03937	1.9
199.14801	5.4
201.16347	2.4
203.14397	2.5
207.11627	3.0
209.13257	8.2
211.11183	1.8
211.14847	4.5
213.14574	2.6
213.16402	3.9
215.17961	2.4
221.13278	3.3
223.14810	4.4
225.16472	2.0
227.14359	2.5
227.18033	2.3
241.19611	4.5
243.21011	2.6
257.61099	1.7
259.20563	12.8
261.16092	1.9
261.22250	6.0
267.15805	13.2
269.17462	5.3
271.20496	2.8
275.20023	2.8
283.20435	2.1
285.17050	3.1
285.22061	2.2
297.21985	2.9
299.19812	2.0
301.21829	2.4
303.23380	2.0
313.21475	3.2
315.22989	1.7
321.21960	2.1
325.21793	2.9
333.24396	8.6
335.25833	11.4
351.22876	3.1
369.24188	3.7
411.20068	2.3
413.21597	4.6
417.31445	4.8
435.32584	14.7
453.33554	7.0
471.34128	3.7
501.35498	2.4
509.36011	7.2
515.37177	2.4
517.38629	3.1
525.34344	2.5
527.37256	100.0
528.37451	6.2
529.38782	2.9
539.37482	2.7
543.36438	3.0
545.38287	10.5
617.37756	3.5
635.39038	7.3
653.40747	8.4
671.41602	14.0
689.42279	57.3
690.41833	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	689.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.2
55.01868	6.8
55.05501	27.9
57.03437	13.4
57.03670	2.3
61.02890	11.4
62.18518	2.3
63.68732	2.1
65.03920	4.5
67.05136	3.9
67.05492	65.1
69.03409	26.0
69.07050	23.8
69.47739	20.9
71.01330	3.5
71.04985	9.3
73.02919	8.1
77.86980	2.8
79.05480	58.8
81.03405	51.5
81.07043	83.7
82.07389	2.8
83.04961	14.3
83.08606	11.3
83.82487	2.2
85.02900	19.3
85.06545	3.4
86.09655	3.5
91.03928	3.9
91.05463	55.5
93.07028	55.4
94.07353	2.7
95.04955	16.6
95.08591	42.0
97.02884	27.0
97.06516	8.0
97.10175	6.2
99.04445	7.8
99.08067	3.3
101.02390	3.6
103.05470	2.8
105.07018	49.6
107.04934	6.3
107.08572	30.9
108.08948	2.8
109.02876	9.6
109.06482	4.1
109.10153	15.9
111.04436	3.5
111.08037	3.1
115.05442	3.5
117.07021	25.2
119.08553	34.8
121.06499	3.3
121.10130	23.9
123.04398	3.3
123.11684	8.0
125.09608	2.1
127.03917	10.2
128.06213	6.5
128.08307	2.3
129.05486	3.8
129.06984	21.4
131.08545	32.4
133.10118	27.0
135.08028	3.7
135.11697	15.4
137.13142	2.3
141.06989	9.1
142.07759	4.5
143.08519	18.3
145.06424	4.2
145.10100	29.1
147.08035	3.6
147.11659	25.9
149.09647	5.4
149.13231	12.3
155.08528	16.2
156.98756	2.2
157.10106	22.1
159.08109	3.6
159.11655	22.3
161.13242	11.4
163.14874	2.3
165.12775	6.2
167.08536	7.6
169.10112	15.1
170.10809	2.2
171.08076	4.1
171.11667	19.3
173.04430	7.3
173.13254	15.4
175.11166	2.6
175.14833	3.4
177.12746	3.3
179.08580	3.6
181.10132	6.7
183.11650	12.0
184.07318	6.5
185.09628	3.8
185.13133	13.1
186.03682	2.4
187.11098	3.2
187.14775	6.2
195.11710	7.2
195.13770	4.4
197.13174	10.8
199.11247	2.5
199.14784	7.6
203.14273	2.8
207.11684	2.4
209.13304	6.7
211.14851	7.7
212.49731	2.3
213.16389	5.1
223.14745	4.4
225.16382	3.1
229.14297	2.6
235.14746	3.6
241.19548	5.7
259.20547	9.8
261.21921	4.6
267.15900	10.0
269.17401	6.0
271.20538	3.0
275.19977	4.0
299.19867	2.4
301.21613	4.6
333.24112	7.8
335.25665	6.8
351.23392	3.0
353.24905	4.0
367.22650	2.8
369.24384	2.9
375.25098	2.6
385.23874	3.6
403.24896	2.8
417.31564	2.9
435.32742	14.3
453.33575	6.9
471.34796	3.1
491.35922	2.8
501.35455	3.0
509.36307	5.7
517.38696	3.2
525.35614	4.6
527.37250	100.0
528.37799	6.4
539.36969	3.4
545.38104	6.9
569.38281	4.5
610.02496	2.4
617.37463	2.9
635.38824	4.9
639.23676	2.5
653.40424	10.0
671.41516	10.7
689.42395	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.1
53.04368	2.0
55.01859	7.3
55.05502	26.1
57.03432	18.7
57.07063	4.7
59.83736	2.3
61.02916	8.8
65.03929	5.1
67.05495	81.2
69.03413	22.0
69.07059	26.3
71.01360	2.5
71.04987	14.1
71.35255	2.1
71.69488	4.1
71.69868	2.7
73.02918	5.5
78.04675	2.2
79.05480	58.9
81.02937	4.8
81.03406	82.5
81.07046	100.0
83.04953	18.6
83.08601	12.0
85.02895	10.6
85.06537	5.1
91.03946	6.2
91.05468	69.7
91.06042	3.5
93.07030	77.4
95.04944	27.9
95.08598	52.3
97.02868	30.2
97.06508	10.3
97.10137	7.2
99.04441	6.9
99.08074	3.1
103.04038	2.4
105.07017	50.5
107.04919	13.4
107.08586	43.6
109.02850	12.3
109.06522	13.1
109.10140	21.4
111.04433	6.1
111.08074	6.3
113.06016	5.7
115.05405	3.9
117.06996	24.2
119.08566	36.9
121.06482	6.7
121.10135	27.3
123.04437	6.7
123.08039	5.5
123.11713	13.3
125.09638	2.5
127.03891	13.9
128.06227	5.6
129.05447	6.8
129.06984	19.4
129.77574	2.0
130.07654	2.3
131.08549	39.4
133.06479	6.9
133.10112	31.2
135.08049	9.2
135.11668	20.3
137.05977	3.2
137.09616	3.5
141.06995	6.2
142.07739	5.0
143.08502	14.2
145.06479	4.8
145.10115	24.3
147.04359	2.6
147.07971	4.4
147.11658	36.1
149.09592	3.0
149.13225	8.3
151.11159	2.8
153.06926	3.0
154.07852	3.3
155.08554	10.4
157.10117	18.2
159.08015	2.7
159.11693	23.1
161.09615	5.0
161.13216	10.5
163.11234	6.3
165.12703	12.3
167.07120	2.4
167.08528	6.2
168.09354	2.5
169.10103	13.0
171.08026	3.1
171.11661	17.1
173.04567	2.8
173.13197	11.9
175.11163	5.0
175.14827	7.2
177.12677	3.7
181.10100	6.0
183.11681	11.3
184.07356	2.5
185.13235	11.8
187.11201	4.2
187.14819	4.2
193.10184	2.5
193.12068	3.7
195.11653	6.2
195.13635	5.2
197.13271	7.6
199.14839	6.5
199.29503	2.4
201.16409	2.9
207.11751	4.6
209.13177	4.8
211.14856	5.2
213.16460	4.0
221.13213	3.6
223.14847	3.9
224.66071	2.3
225.16132	2.6
239.14244	2.6
241.19469	5.2
243.21072	2.5
249.88437	2.2
257.18793	2.7
259.20499	14.8
261.18738	2.2
261.22141	7.2
265.67862	2.3
267.15811	13.2
269.17474	6.6
273.18570	4.2
275.19983	5.5
277.21564	3.4
285.16986	5.4
291.19543	6.8
301.21460	2.4
333.24185	7.4
335.25693	13.9
337.16626	4.2
343.22412	2.7
351.24445	2.0
358.71509	2.7
367.22745	3.5
369.24265	3.0
411.20078	6.3
413.21548	7.7
417.31177	3.3
433.30417	2.7
435.32584	5.6
453.33926	3.4
471.34201	4.1
509.36230	3.8
527.37225	65.8
528.37506	3.1
545.38464	5.9
569.37622	2.9
623.39691	3.3
635.39093	8.2
645.83533	2.6
653.40283	9.1
671.41248	11.8
689.42328	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01855	4.8
55.05501	14.6
57.03427	11.1
61.02912	2.3
65.03932	1.4
67.05493	24.1
69.03432	6.6
69.07053	8.9
69.87975	5.2
69.88383	2.3
70.06586	2.9
71.04985	4.2
73.02900	1.8
74.09670	1.3
74.47521	1.2
79.05476	29.7
81.02939	2.5
81.03404	40.8
81.07040	28.6
83.04967	11.1
83.08598	22.2
85.02885	19.4
85.06503	2.5
86.06046	1.1
91.05459	24.0
93.07027	35.0
93.21754	1.0
95.04951	21.5
95.08000	2.2
95.08588	32.6
97.02866	7.8
97.06518	3.8
97.10165	3.5
98.21425	2.5
99.04434	4.5
99.08092	1.6
102.95084	1.1
103.05408	1.4
105.07004	18.7
107.04932	11.9
107.08574	26.9
109.02871	2.0
109.06487	6.4
109.10119	3.5
111.04412	4.5
111.08066	8.1
113.05967	2.9
115.05403	1.3
116.10757	2.0
117.06999	8.7
119.08560	21.7
120.08018	1.5
121.06491	6.9
121.10112	17.6
123.08152	1.3
123.11681	2.3
125.06003	2.4
127.03889	2.7
129.06964	7.3
131.08524	7.7
133.06422	1.8
133.10114	7.2
135.08038	3.9
135.11665	44.5
139.07545	3.1
142.07721	2.0
143.08551	1.2
145.10085	30.5
147.08031	2.5
147.11641	12.4
149.09639	5.7
157.10089	9.9
163.11154	59.5
165.12749	2.3
175.11151	10.5
181.12187	9.2
193.12201	29.4
204.27011	1.2
209.11690	2.8
211.13248	40.8
214.18033	7.1
227.12744	76.6
267.15884	34.9
283.15341	60.8
284.15674	3.3
285.16895	60.3
286.17252	1.3
302.73300	1.1
344.23999	1.5
475.26843	32.9
476.27151	1.5
493.27869	100.0
494.28339	2.8
673.34540	1.5
690.31763	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	691.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07732	0.4
56.96555	14.2
60.93534	0.4
65.62148	0.4
69.03403	0.7
69.42680	2.2
69.43111	2.1
70.06573	1.3
73.19000	0.4
74.97612	0.6
84.08110	0.6
84.96029	2.6
85.02884	1.3
98.97568	25.3
100.99128	0.5
110.97563	3.9
111.04439	0.6
112.89563	1.0
112.99113	33.6
116.98606	19.0
116.99281	0.4
117.03345	0.7
119.00159	0.5
119.01881	0.7
123.04391	0.8
127.03848	0.9
128.98586	7.3
131.00151	72.8
133.03470	0.9
134.99631	7.1
135.04384	1.5
139.03871	1.7
140.00183	0.8
140.98508	0.7
143.00143	2.8
143.01874	0.6
144.98083	0.9
145.01674	1.4
145.02728	0.9
146.99626	7.2
147.04330	0.5
149.01201	61.6
152.98567	0.8
153.00652	0.6
154.01717	2.9
157.03505	0.7
158.01227	0.5
158.99629	9.1
161.01196	3.6
161.02861	1.0
162.99170	1.0
163.02734	2.4
163.03897	6.1
164.04254	0.8
165.00670	0.9
167.02278	7.0
170.99608	3.9
171.05063	0.6
172.02847	2.5
173.01198	31.2
175.02782	5.6
177.00681	10.6
179.02258	1.3
185.01154	1.2
185.02921	0.6
187.02728	2.7
189.00688	3.5
191.02246	31.8
193.03821	12.1
193.05580	0.6
195.01772	1.4
197.01201	0.7
197.02925	0.7
201.00610	4.0
201.05724	0.5
203.02246	1.2
205.03827	2.7
209.01218	1.8
209.03278	1.9
211.04865	8.4
214.03777	2.9
215.02229	1.5
216.05511	0.9
217.03836	1.0
219.01744	26.1
219.07161	1.2
221.03220	0.7
227.02251	1.8
233.01025	0.6
233.03299	8.3
235.04858	1.8
237.02785	49.4
238.03209	0.6
242.03328	2.0
245.05093	1.6
247.04921	1.4
249.02811	0.5
251.04430	0.6
255.01625	0.9
255.03888	3.3
255.06744	0.7
257.03351	0.7
259.04825	0.7
260.04370	2.7
261.02814	0.8
263.04333	4.6
273.02808	0.9
275.04349	10.0
277.05902	1.1
279.04092	1.0
279.07230	0.6
281.05408	11.0
289.06082	0.7
293.05396	10.1
304.06934	1.1
316.07037	0.8
319.07053	1.5
321.10461	3.3
337.07986	100.0
338.08319	1.6
349.08337	1.5
355.09067	71.0
356.09637	1.2
367.08435	0.5
369.22183	0.5
378.10696	7.2
381.05466	0.5
485.15036	0.6
493.12073	0.7
499.11166	7.3
511.13171	0.8
517.12305	4.7
529.13361	0.5
533.48169	0.5
537.09302	0.7
555.10675	0.6
673.16510	7.6
691.17511	21.3
692.17297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	16.8
57.83979	1.7
65.40612	1.6
69.03404	2.1
70.06584	2.2
77.11098	1.8
84.96021	2.6
85.02926	2.3
98.97560	30.0
112.89531	2.5
112.99110	32.9
116.98608	22.3
119.02055	1.9
127.03867	2.8
128.98566	9.4
131.00148	79.1
133.03427	3.5
134.99681	9.8
135.04373	2.6
139.03882	3.6
143.00032	1.9
146.99629	9.3
149.01195	77.0
154.01736	2.2
158.99673	9.1
159.04968	2.1
161.01210	6.6
163.02739	2.4
163.03915	10.6
167.02196	9.3
170.99640	4.4
172.02779	3.1
173.01213	34.4
175.02774	4.4
177.00699	13.3
187.02754	2.5
189.00708	6.6
191.02238	37.9
193.03802	17.9
201.00755	5.2
203.02310	2.6
205.03871	2.0
209.01132	2.2
209.03185	1.9
211.04784	9.3
214.03847	3.2
219.01744	31.7
219.07115	3.9
227.02141	2.2
231.07095	3.8
233.03320	12.5
235.04846	2.5
237.00774	2.2
237.02782	57.6
238.03539	1.9
242.03300	2.7
245.05194	4.2
255.03798	2.8
259.04694	2.2
260.04514	2.6
263.04416	4.8
273.02811	2.8
275.04297	10.6
279.03873	2.7
281.05325	12.7
293.05313	11.7
321.10257	11.7
337.07971	100.0
349.07947	2.7
355.09100	75.3
378.10648	5.8
499.11295	8.4
517.12073	4.6
673.16461	12.5
691.17401	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	691.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69326	0.3
53.03926	0.4
55.05497	0.9
57.26257	0.4
58.42820	0.4
60.12658	0.3
67.05487	0.9
69.03413	0.8
69.07043	0.4
71.27738	0.8
71.28085	0.5
71.70527	0.3
79.05462	0.7
81.03405	0.6
81.07024	1.4
83.04952	0.4
85.02893	1.2
91.05479	0.9
93.07022	1.2
95.04942	0.8
95.08604	0.8
99.04430	0.5
105.06989	0.8
107.08604	0.7
109.06493	0.9
119.08578	0.9
121.06464	0.6
121.10110	0.5
123.04440	0.6
127.03917	0.7
133.10112	0.4
139.03877	0.4
145.10046	0.5
147.11659	0.5
157.10126	0.6
159.11613	0.5
165.09094	0.9
193.08589	0.5
211.09517	0.5
245.18826	0.4
300.43887	0.4
351.34341	0.4
374.68732	0.4
386.13986	0.7
399.14679	0.5
400.15497	1.5
401.16010	0.6
413.16113	0.6
414.12631	0.5
414.17398	1.0
416.14755	0.4
417.15900	0.5
421.18661	0.5
422.97986	0.5
426.16867	0.5
427.18103	0.7
428.14850	1.5
429.15332	1.9
430.16385	3.5
431.17096	1.5
439.17783	0.6
441.14896	0.6
441.19968	0.7
443.16989	2.6
444.18286	2.1
445.18683	0.5
453.15747	0.4
454.16467	0.7
455.17563	1.0
456.13550	0.9
456.18802	0.5
457.19180	3.5
458.13434	0.4
458.19534	2.7
459.15140	0.5
459.21411	2.1
467.17310	1.2
470.12262	1.5
470.64368	0.4
471.16278	0.6
473.18338	1.1
477.21524	0.5
482.15915	0.6
483.16800	1.3
484.13083	4.4
485.14380	1.8
485.18875	1.5
486.19089	1.0
487.19424	0.6
495.16818	0.9
496.17041	1.2
497.14761	1.2
497.19467	2.0
498.14597	2.9
499.16019	4.1
500.16553	0.8
504.68555	0.4
511.15967	2.3
512.16669	4.1
513.17468	6.0
514.18518	3.8
515.18414	0.4
516.20129	0.4
523.15881	2.4
524.15649	0.6
525.17743	3.5
526.18427	1.6
527.19360	1.4
529.20569	1.2
530.19916	0.4
539.15002	0.6
540.19751	0.5
543.22552	0.6
544.18884	0.8
545.23743	1.6
555.19238	1.4
571.18781	1.1
573.23724	2.5
574.22247	0.7
585.20862	0.7
599.21484	1.5
600.22131	4.2
601.22870	11.4
602.21490	1.8
615.24176	0.4
617.22650	1.1
617.75415	0.4
632.24982	1.8
633.22449	0.5
659.23877	0.6
660.24384	0.6
661.21631	0.9
676.23627	0.6
691.25964	100.0
692.26172	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	691.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84390	0.8
69.72063	0.9
71.20221	2.4
78.53149	0.9
100.17760	0.9
111.83155	0.9
130.47382	0.9
144.08127	1.0
155.61604	0.8
166.62648	0.9
185.52824	0.8
223.12163	1.1
225.10225	1.1
225.13922	2.2
237.13803	1.1
238.14619	1.3
249.13936	1.1
251.08084	2.3
349.86282	0.9
403.15253	1.0
404.21295	0.9
405.20868	1.0
417.16989	3.2
418.17825	2.3
419.18195	1.4
431.19092	1.8
432.19095	2.0
433.20193	5.8
447.22028	8.2
448.22549	1.6
456.11563	0.9
458.17270	0.9
459.21860	1.0
460.19125	1.1
473.19760	1.2
475.21249	22.8
476.21893	4.5
489.23376	1.1
503.20526	2.2
507.23721	1.2
519.23718	1.7
535.23273	13.1
547.23218	2.4
549.24884	1.8
562.26080	5.0
563.26440	1.4
590.24646	2.2
622.27795	100.0
623.28113	9.0
691.34631	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	691.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01853	1.1
55.05499	4.0
57.03415	2.4
57.07059	0.7
58.71553	0.7
61.02923	5.3
63.68565	0.6
65.03928	0.7
67.05493	16.7
69.03424	5.5
69.07056	3.0
71.04980	1.4
71.70257	0.9
73.02912	4.6
79.05484	6.0
81.03403	5.8
81.07038	10.1
83.04967	2.0
83.08609	2.5
85.02885	5.7
85.06508	0.9
86.50679	0.6
87.04488	0.6
91.03954	3.0
91.05470	5.1
93.07028	6.8
95.04953	1.4
95.08585	6.8
96.36616	0.6
97.02874	6.9
97.06519	1.1
97.10149	0.9
99.04446	1.0
100.86447	0.6
101.02357	1.5
105.07011	3.2
107.04926	0.6
107.08575	3.9
109.02877	2.4
109.06519	0.8
109.10136	11.1
111.08083	0.6
117.07002	1.3
119.08572	3.2
121.10134	2.3
123.11672	0.8
127.03916	2.1
129.07011	0.8
131.08575	2.3
133.10101	2.3
135.08020	0.8
135.11687	1.6
136.54382	0.5
137.09575	0.7
145.10072	1.5
147.11665	1.5
149.13275	0.8
155.10634	0.8
157.10081	0.7
159.11678	0.8
161.13138	0.7
163.11160	0.9
166.25543	0.6
173.11781	2.5
184.07401	1.1
185.04202	1.5
195.09862	0.8
209.09471	0.7
209.11526	0.7
229.14317	1.1
243.08496	2.0
269.17258	0.7
335.25745	1.4
413.17731	11.7
477.47449	0.6
519.29266	5.5
519.36652	1.4
529.38928	2.0
545.50311	0.6
691.40137	100.0
692.40576	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	691.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01865	0.7
55.05511	2.2
57.03436	2.1
58.03856	0.4
61.02916	6.9
61.21865	0.4
67.05494	10.7
69.03426	3.7
69.07063	2.9
69.75843	2.9
70.27959	0.4
71.01316	0.7
71.04977	1.2
73.02905	4.2
75.04494	0.5
79.05487	4.4
79.35004	0.4
81.03410	3.6
81.07045	6.8
83.04955	0.6
83.08601	1.4
85.02892	6.6
85.06515	0.5
87.04461	0.8
91.03948	3.7
91.05473	3.2
93.07025	4.6
95.04957	1.3
95.08591	5.5
97.02869	6.0
97.06506	0.7
97.10136	0.5
98.21104	1.5
99.04421	1.2
101.02372	2.3
103.03916	0.5
105.07041	2.5
107.08573	3.7
109.02859	1.1
109.10143	6.1
109.70570	0.4
111.04444	0.5
111.08143	0.4
113.64291	0.5
114.75404	0.4
117.07008	1.0
119.08562	1.9
121.10188	2.1
123.11659	0.7
127.03909	2.4
129.07040	0.4
131.08583	1.7
131.66162	0.4
133.10127	1.3
134.14272	0.4
135.11694	1.4
135.51761	0.4
135.95721	0.4
143.08543	0.5
145.10117	1.7
147.11703	1.0
149.09636	0.4
149.13264	0.7
159.11682	0.7
164.10355	0.4
173.11777	1.3
184.07330	0.8
185.04243	0.5
195.09943	1.1
195.11620	0.5
216.19008	0.4
229.14330	0.7
243.08458	1.7
282.40002	0.4
335.25757	1.4
413.17780	5.1
418.23135	0.5
519.29333	10.4
519.36823	1.2
529.38263	1.4
684.41248	0.5
691.40167	100.0
692.40656	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	691.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.8
53.03943	8.8
55.01847	4.2
55.05503	26.4
57.03425	8.6
57.07055	2.0
59.04997	1.5
61.02909	1.4
65.03917	3.6
67.05494	81.7
69.03046	1.6
69.03419	32.4
69.06688	1.4
69.07056	20.4
70.38745	3.9
71.01348	1.7
71.04981	12.2
73.02879	3.8
73.06523	1.1
79.05481	55.5
80.05795	1.2
81.03405	59.2
81.07043	100.0
82.07374	1.4
83.04970	21.4
83.08604	12.8
85.02890	11.7
85.06527	6.4
87.04451	1.9
91.05467	46.7
93.07028	67.1
95.04955	13.7
95.08590	44.0
97.02875	20.4
97.06509	9.6
97.10152	3.9
99.04427	10.7
99.08070	3.2
101.02348	1.6
103.05455	1.6
105.07013	28.6
107.04914	4.0
107.08577	29.9
108.08901	1.2
109.02860	11.6
109.06496	4.1
109.10130	14.6
111.04420	9.4
111.08057	4.7
115.05418	1.0
117.07007	15.3
119.08566	16.6
121.06478	3.8
121.10132	22.8
123.04342	1.4
123.08051	2.8
123.11683	9.6
125.09647	2.1
127.03896	11.6
129.05444	9.8
129.06961	5.1
131.08540	20.3
133.06490	2.0
133.10112	18.7
135.08000	3.8
135.11668	17.0
137.05957	1.8
137.09599	1.4
139.11165	2.0
141.06929	1.9
142.07773	1.2
143.08534	3.3
145.06392	1.3
145.10098	9.8
147.08011	1.5
147.10577	1.3
147.11662	13.0
149.09570	2.7
149.13226	19.9
151.11142	3.5
155.08528	3.3
157.10097	5.8
159.08034	1.8
159.11682	17.8
161.09563	1.4
161.13167	5.7
163.11295	1.0
163.14799	1.3
165.12740	4.1
167.08504	1.4
167.14244	1.6
169.10120	2.6
171.06529	1.8
171.11671	3.4
173.04431	23.6
173.13196	5.5
175.11192	3.8
175.14796	2.8
177.12721	11.3
177.16371	1.1
179.14302	1.2
181.10068	1.2
183.06508	1.4
183.11642	3.1
185.13226	1.7
187.10947	1.3
187.13257	3.9
187.14830	3.1
189.12724	2.3
192.75958	0.9
193.12257	1.8
195.11981	1.2
195.13776	15.1
197.13187	2.1
199.14828	1.4
203.12601	1.3
211.14841	1.5
213.14796	4.3
217.15797	1.1
239.14413	1.1
243.15807	3.3
249.14769	1.5
259.20468	1.5
261.14636	1.1
261.22137	5.4
267.15823	2.6
269.17410	12.9
273.22235	1.4
285.17126	1.3
289.21640	1.2
301.21484	2.0
313.16113	1.1
317.24796	1.7
321.17020	1.8
335.25772	17.8
337.27228	2.5
339.17957	8.6
341.24545	1.5
363.25226	1.5
369.24207	4.2
387.25171	2.2
395.20572	2.5
405.26178	3.0
413.21655	9.2
443.27869	2.2
455.34769	1.3
461.28842	2.8
503.37234	27.5
504.37045	1.1
519.36768	1.3
529.38824	14.2
547.39606	4.8
655.41754	2.7
673.42554	6.0
691.44147	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44155	1.4
53.03924	7.5
55.01851	6.1
55.05272	2.0
55.05503	25.5
57.03428	22.4
61.02903	7.1
65.03922	3.4
67.05492	45.7
69.03419	16.2
69.07062	15.2
70.06576	2.5
71.04965	8.9
71.07607	3.2
71.07937	2.1
72.08158	1.6
72.74840	1.6
73.02901	2.0
79.05482	38.0
81.03403	100.0
81.07044	51.0
82.03734	2.7
83.04962	24.6
83.08605	36.2
85.02889	53.1
85.06508	3.9
87.00806	4.0
87.28162	1.5
91.03937	2.6
91.04922	3.0
91.05467	53.8
93.07028	34.4
95.04950	45.7
95.08591	19.1
97.02886	10.7
97.06509	11.2
97.10139	7.2
99.04456	2.7
105.01817	2.7
105.07021	40.8
105.10720	1.6
106.07304	1.9
107.04958	10.2
107.08584	17.8
109.02841	6.9
109.06508	14.0
109.10121	6.9
110.09669	2.9
111.04386	7.7
111.08068	13.9
113.05995	4.7
115.05386	2.0
115.07346	1.9
117.06983	6.6
119.08567	34.0
120.08131	2.8
120.65256	1.6
121.06484	6.3
121.10111	17.2
123.04401	5.8
123.08027	8.3
123.11673	3.5
124.03897	1.9
125.05967	3.5
125.09557	3.2
127.03883	8.5
129.06973	19.6
131.08545	21.2
133.06467	4.9
133.10120	17.9
134.05962	1.9
135.08041	4.4
135.11667	2.9
136.07507	4.2
137.07904	2.1
137.09579	6.9
138.09091	3.8
142.07770	4.5
143.08546	4.2
145.04904	3.2
145.10065	9.4
147.08002	6.9
147.11650	23.8
149.09583	12.9
149.13110	1.7
155.08527	2.2
157.10094	34.2
159.02740	2.2
159.11671	3.1
161.09540	3.9
163.07518	5.4
163.11157	2.8
165.09103	6.8
165.12703	5.8
167.06860	2.4
169.10037	2.7
171.11673	5.1
175.11168	22.8
177.09094	2.6
181.12201	1.9
183.11742	2.4
185.13237	3.1
189.11227	2.6
189.12781	3.2
193.12207	68.4
211.13249	98.3
212.13591	4.4
213.16302	10.8
215.14398	2.1
225.10147	2.4
239.08058	2.4
241.13196	3.5
251.08011	3.0
253.09544	1.8
253.19394	2.5
267.15854	41.2
269.09180	1.8
282.13434	1.9
285.16904	84.6
286.17224	3.4
287.09885	2.1
293.09137	2.2
309.08701	2.5
311.10101	2.1
339.09262	3.5
385.23569	5.2
388.12332	3.1
391.26151	13.3
409.27075	8.1
427.28400	2.6
441.26328	2.4
459.27505	23.3
460.28339	2.3
477.23062	2.2
477.28540	27.2
478.28976	2.1
486.97104	1.9
495.29468	71.2
496.29514	4.4
564.09375	2.2
581.23108	2.3
643.24304	2.5
657.32599	3.6
661.27942	2.8
675.33533	2.7
692.40430	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	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.6
55.05242	1.9
55.05499	36.7
57.03153	2.1
57.03419	22.2
59.04978	3.3
59.53149	1.1
61.02915	7.2
64.79865	1.2
65.03905	2.2
67.05490	100.0
68.21967	1.1
69.03422	5.7
69.06691	1.6
69.07051	19.7
70.00104	2.9
70.00536	4.3
71.01306	1.6
71.04966	5.8
73.02901	5.0
79.05476	38.3
81.03404	12.8
81.07040	74.8
82.07365	1.7
83.04958	8.6
83.08604	19.3
85.02884	18.8
85.06512	5.2
87.04440	5.0
91.03922	3.4
91.05461	25.9
93.07025	51.3
95.04971	9.6
95.07999	1.8
95.08584	24.2
96.43389	1.2
97.02876	7.3
97.06505	9.9
97.10148	16.5
99.04450	2.0
99.08084	3.0
103.03915	2.2
105.07004	13.3
107.04946	6.5
107.08575	29.8
109.06488	3.1
109.10128	52.5
111.08049	8.4
117.06975	9.8
119.08556	9.7
121.06458	3.1
121.10117	14.3
123.08032	4.2
123.11678	4.8
125.09616	14.0
129.05443	6.8
129.06963	2.4
131.08556	9.5
133.10110	15.1
135.08012	2.3
135.11665	13.4
137.09583	2.4
139.11238	1.8
143.10603	2.3
145.10112	5.1
147.07974	1.5
147.11630	5.0
149.09584	3.0
149.13223	14.0
151.11130	2.4
153.12762	3.1
155.08604	1.4
155.10619	4.3
157.10086	1.9
159.11623	6.7
163.11166	7.7
165.12801	1.9
167.14291	1.9
173.09503	1.4
173.11700	15.9
174.27411	1.4
175.12692	1.2
177.12750	4.1
181.12204	2.3
182.17686	1.2
191.10547	3.1
193.12187	3.8
195.13756	16.5
198.40175	1.3
199.13248	5.7
209.11652	6.8
211.13194	2.4
213.14832	2.9
217.14151	1.3
227.12776	6.4
227.77870	1.6
229.14308	47.8
250.68404	1.3
257.13803	5.2
267.15808	6.3
269.17416	70.8
270.17755	1.9
276.81485	1.3
283.15369	4.6
285.17096	1.9
297.17142	1.2
301.16388	16.5
357.23990	1.3
411.27682	6.8
423.27411	35.3
424.27634	2.0
477.28543	1.8
495.29422	56.8
496.29413	2.1
513.30597	20.4
514.31042	1.7
693.32574	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	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
54.90154	1.7
55.01861	4.8
55.05501	30.7
57.03421	19.2
57.07065	3.0
59.04989	3.8
61.02912	6.4
67.05493	100.0
69.03422	3.8
69.07049	19.5
70.08511	9.1
71.04981	7.7
73.02906	6.0
79.05478	45.3
81.03413	15.2
81.07043	79.0
83.04973	11.6
83.08606	21.5
85.02888	16.9
85.06548	4.6
87.04477	3.2
91.03925	4.0
91.05461	32.1
93.06448	2.6
93.07031	38.1
93.07590	3.5
95.04958	9.0
95.07001	1.9
95.08598	22.4
96.30494	1.5
97.02887	6.9
97.06522	8.0
97.10141	15.5
99.08070	1.7
102.35835	1.8
105.07005	11.6
107.04961	2.8
107.08576	22.9
108.17764	1.9
109.06495	2.8
109.10139	49.6
111.08068	5.2
117.06985	8.2
119.08558	9.9
121.06506	3.0
121.10145	9.4
123.08047	3.0
123.11718	3.6
123.70019	1.7
125.09601	15.5
127.07592	1.8
129.05479	5.4
129.07011	3.4
131.08543	6.0
133.10118	11.6
135.11707	9.6
143.10655	2.0
145.10088	5.2
147.08083	2.0
147.11673	5.1
149.09618	3.0
149.13266	9.8
155.10660	3.1
159.11636	9.2
163.11172	11.5
165.12772	3.1
169.35495	1.7
173.09555	2.7
173.11734	14.0
173.13019	2.5
175.11148	2.1
177.12708	6.1
191.10657	3.6
193.12306	4.4
195.13806	14.3
198.97595	2.0
199.13301	5.5
209.11716	8.0
211.13309	3.3
227.12813	6.7
229.14328	44.4
238.28362	1.7
239.16426	2.7
267.15909	8.6
269.17444	52.1
270.17880	3.2
283.15390	5.5
301.16431	20.1
328.23438	1.7
393.26447	2.4
411.27292	6.2
423.27393	24.4
495.29507	45.5
496.29706	3.7
513.30536	21.9
549.75903	1.8
658.65582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51424	0.7
53.03924	1.3
55.01847	2.6
55.05505	15.2
57.03421	9.0
57.07048	2.3
59.04976	1.5
61.02916	3.2
65.03916	2.2
67.05489	67.8
69.03401	2.1
69.07053	13.2
71.04974	16.0
71.41393	1.1
73.02903	1.6
79.05475	26.1
81.03409	5.5
81.07038	83.5
82.07368	1.3
83.04967	6.7
83.08602	14.4
85.02896	6.5
85.06528	7.7
87.04443	1.6
91.03944	1.2
91.05460	20.3
93.07021	34.5
95.04956	5.4
95.08588	15.7
97.02863	2.4
97.06509	7.1
97.10139	4.1
99.04451	1.5
99.08059	2.6
105.07005	8.8
107.04926	1.1
107.08572	23.8
109.06463	3.3
109.10133	17.2
111.04427	0.9
111.08041	6.5
113.09664	0.8
117.06979	6.2
119.08566	4.2
121.06502	0.8
121.10120	12.7
123.08030	1.4
123.11669	9.0
123.12495	0.8
125.09620	4.5
127.03841	1.1
127.07503	0.8
129.05478	1.3
129.06927	1.1
131.08539	7.6
133.10094	14.2
135.08037	1.5
135.11662	8.8
137.09549	0.8
139.11171	1.3
143.10637	1.0
145.10118	2.0
147.08057	0.7
147.11652	2.8
149.09601	1.2
149.13225	22.2
150.13513	0.9
151.11133	4.1
153.09108	0.7
159.11656	9.6
163.11122	2.3
165.12692	1.5
172.74036	0.6
173.11774	4.9
177.12712	5.8
181.12166	1.0
183.13791	1.5
187.13255	2.4
191.10585	1.0
193.12088	1.1
195.13770	11.7
199.11122	0.7
199.13261	1.8
209.11635	1.9
213.14803	2.0
227.12776	1.9
229.14297	15.5
239.16386	0.8
251.16435	1.8
257.17471	1.1
267.15897	2.4
269.17419	36.3
270.17972	0.9
283.15414	1.5
297.17001	0.7
301.16412	4.6
301.20078	8.6
335.04749	0.7
391.28424	1.0
411.27359	1.5
423.27335	10.9
435.31262	0.7
437.28906	49.2
438.29343	2.5
451.30472	9.5
463.30469	100.0
464.30789	5.8
495.33646	37.9
496.34152	1.3
513.30481	5.8
607.34619	1.1
628.57208	0.8
639.37994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03935	2.8
55.01858	3.0
55.05502	21.4
57.03424	9.7
57.07059	2.0
59.04990	2.4
61.02910	6.6
65.03928	1.3
67.05493	75.9
69.03417	2.6
69.07058	15.0
71.04980	19.4
71.08610	0.9
71.84073	0.6
73.02906	2.9
79.05480	32.9
81.03407	6.7
81.07043	100.0
82.07353	1.0
83.04956	5.9
83.08609	16.5
85.02891	8.6
85.06522	8.3
87.04441	2.5
91.03943	2.1
91.05463	27.7
92.05771	0.7
92.61357	0.7
93.07028	39.4
95.04962	5.7
95.08588	16.5
97.02882	4.1
97.06522	8.9
97.10151	6.9
98.21435	1.5
99.08089	1.8
103.03902	1.0
105.04500	0.7
105.07008	11.5
107.04936	1.8
107.08575	25.9
109.06499	2.7
109.10135	27.1
111.04534	0.7
111.08078	5.1
117.07005	8.0
119.08552	5.3
121.06516	2.1
121.10129	11.0
123.04341	0.7
123.08055	1.7
123.11691	10.9
123.12515	1.0
125.09581	5.8
126.45723	0.7
127.03912	1.2
129.05447	1.7
129.06989	0.8
131.08554	9.1
131.59734	0.7
133.10112	21.3
135.08049	2.2
135.11673	9.2
143.10692	0.8
145.10107	1.9
147.11667	2.2
149.09624	1.7
149.13234	13.7
151.11176	4.7
153.12766	1.3
155.10646	1.8
157.10091	1.4
159.11678	7.1
163.11177	3.2
165.12743	0.9
169.12283	0.9
173.11760	6.9
175.11150	0.6
177.12723	4.7
181.12213	0.8
183.13821	2.8
187.13319	3.0
191.10664	1.1
193.12263	1.6
195.13785	13.6
195.15390	1.1
196.14182	0.9
199.13330	3.0
201.14909	0.7
209.11731	2.0
213.14883	1.6
225.14940	2.1
227.12839	2.3
229.14313	23.3
230.56207	0.9
239.16441	1.2
251.16507	1.0
257.17517	1.8
267.15921	2.6
269.17429	46.0
270.17682	0.9
283.15421	2.6
283.18811	1.4
286.37546	0.7
297.17206	0.8
301.16489	7.9
301.20135	14.3
339.17657	0.7
393.26212	1.1
411.27545	2.2
419.27841	1.0
423.27359	16.6
431.28369	0.8
437.28922	57.0
438.29449	2.1
451.30478	5.9
463.30511	23.5
464.30875	0.9
495.33493	72.9
496.33469	2.2
513.30426	6.1
522.84552	0.8
632.24109	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44153	1.1
53.03912	2.5
53.45041	1.0
55.05501	9.8
57.03415	4.9
57.07058	4.2
58.71367	1.0
61.02914	27.5
65.03928	1.3
67.05493	61.9
68.35004	1.1
69.03416	4.1
69.07055	10.2
69.42214	11.3
71.04980	1.7
71.08613	1.5
73.02906	8.9
75.04466	1.1
79.05479	41.7
81.03413	2.6
81.07042	74.4
83.04951	2.6
83.08627	5.7
85.02895	33.0
85.06520	3.0
91.03944	24.8
91.05462	19.8
93.06435	2.2
93.07027	51.8
95.04945	5.0
95.08590	53.7
97.02870	15.3
97.06493	2.6
97.10136	2.9
99.04392	1.6
99.08051	2.3
105.07011	14.6
107.08575	36.8
109.02821	1.4
109.06476	1.4
109.10131	29.9
111.08022	2.1
115.03873	2.1
117.07004	8.3
119.08569	14.6
121.09251	2.1
121.10125	35.1
121.10980	2.4
123.07983	1.3
123.11678	15.0
125.09632	1.3
127.03906	12.0
131.08542	18.8
133.10103	12.0
135.11671	27.7
137.13252	7.2
145.04935	14.3
145.10103	13.8
147.11664	12.0
149.13214	17.1
151.11160	2.0
151.14787	3.7
153.12733	2.0
159.11647	13.4
161.13249	11.1
163.05997	20.8
163.14787	15.3
165.12730	4.5
171.11673	1.3
173.13222	17.0
175.14786	4.4
177.12791	1.2
177.16306	5.6
179.14313	2.4
187.14799	8.0
191.14270	1.6
201.16298	3.6
205.15927	2.8
210.82712	1.2
215.18011	2.1
219.17468	1.4
229.51439	1.0
233.22589	2.8
243.21027	38.5
244.21317	2.1
261.22098	100.0
262.22430	3.9
263.23596	2.5
279.23077	3.1
305.54010	1.2
335.25745	19.8
353.26794	49.1
354.27106	1.5
637.23724	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
57.64030	0.2
60.79073	0.2
62.49462	0.2
67.05486	0.4
69.03415	0.2
69.07037	0.5
69.71363	0.2
70.06567	0.4
71.70212	0.3
75.25900	0.2
79.63647	0.2
80.05025	0.2
91.05463	0.3
94.06524	0.4
95.04945	0.4
98.48607	0.2
108.04452	1.9
108.08069	0.2
110.09666	0.2
112.07577	0.3
113.98182	0.2
119.04915	0.2
120.04407	0.2
122.06008	0.6
136.07573	1.1
138.05501	0.7
140.07028	1.3
145.02815	0.5
146.05965	1.4
147.04359	0.2
148.03911	0.3
148.07590	0.9
150.05469	0.3
164.07076	0.6
166.04991	0.9
168.06548	3.4
172.03893	0.3
174.05467	0.8
175.03833	0.2
177.05412	0.4
182.08102	0.3
195.09219	0.2
196.09804	0.2
197.07141	0.2
197.10811	0.3
198.09297	0.3
199.08601	0.8
204.06578	1.1
206.08064	1.7
207.06549	0.4
209.08101	0.2
209.10701	0.2
210.07707	0.4
211.08626	4.7
211.12131	1.1
212.09283	1.4
213.10191	1.1
214.10820	0.3
221.10760	1.2
222.09105	1.2
222.11061	0.3
223.08615	0.6
223.12285	0.5
224.10983	1.5
225.10181	4.6
226.08711	0.4
226.10944	0.8
227.08163	1.0
227.11803	0.7
228.08842	0.3
237.10228	0.3
238.11078	0.2
239.08107	0.8
239.11754	8.6
240.08963	0.8
240.12444	0.5
241.07475	0.3
241.09633	2.0
241.13324	0.9
242.10526	0.6
249.10121	0.9
250.08597	1.3
251.08069	0.9
251.11749	0.5
252.09032	1.3
253.09669	5.1
254.10498	1.0
255.06604	0.2
255.11272	0.7
256.11935	0.5
257.09265	0.2
257.12778	0.8
259.14371	0.3
265.09857	0.3
267.11243	12.2
268.09125	0.2
268.11954	0.5
269.09436	0.3
269.12784	1.5
277.09625	0.3
279.11176	0.4
280.08560	0.6
281.09247	0.8
284.11539	0.6
285.09097	0.3
285.12131	1.4
287.05380	0.2
295.10709	6.0
296.08969	0.3
297.12259	1.1
298.10593	0.3
299.10245	0.3
301.03400	0.3
301.11765	0.3
303.04916	0.4
303.13275	0.2
305.14798	0.2
313.11774	40.3
314.12201	1.9
315.13290	0.7
323.10129	1.2
325.11874	0.3
327.13449	0.4
341.11264	13.6
342.11938	0.5
355.12759	1.7
359.12354	3.7
373.13882	100.0
374.14243	5.0
375.14804	0.2
445.22134	0.2
506.18839	0.3
537.19281	0.2
538.21576	0.5
627.23895	0.5
641.25916	0.4
645.25354	0.6
659.27429	1.2
677.27820	0.4
695.33362	0.8
695.51276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03436	0.2
55.01852	0.4
64.10376	0.2
65.53637	0.2
67.05486	0.2
68.87125	0.2
69.07031	0.8
69.69379	1.1
69.69793	0.5
70.06554	0.4
79.08551	0.2
84.35406	0.2
85.02863	0.2
94.06552	0.5
95.04923	0.5
96.04443	0.3
98.06021	0.2
106.01797	0.2
108.04456	3.0
108.08105	0.2
112.07523	0.2
119.52193	0.2
120.04447	0.3
120.08055	0.2
122.06011	1.1
136.07555	1.4
138.05495	0.8
138.09052	0.2
140.07028	1.0
145.81972	0.2
146.05991	1.7
147.06680	0.2
148.03882	0.3
148.07559	1.0
150.05499	0.6
151.66133	0.2
163.03865	0.2
164.07065	0.3
166.04974	0.9
166.08572	0.4
168.06549	4.2
172.07339	0.2
174.05469	1.2
181.08797	0.3
182.09651	0.3
187.08607	0.2
194.09618	0.2
196.07626	0.3
196.09758	0.4
196.11334	0.3
197.10670	0.4
198.09250	0.2
199.08585	1.7
202.10233	0.2
204.06532	0.9
206.08110	1.8
208.07262	0.2
208.09848	0.2
210.09265	0.4
211.08638	5.9
211.12085	1.3
212.09357	1.8
213.10182	2.2
213.13593	0.3
214.10884	0.3
214.22829	0.2
221.10739	1.1
222.09140	1.4
222.11089	0.2
223.08688	0.8
223.12206	0.5
224.10663	1.4
225.06642	0.4
225.10159	5.6
226.07159	0.5
226.10664	1.0
227.08119	1.7
227.11696	0.6
237.10129	0.5
238.10910	0.4
239.08235	1.2
239.11751	8.6
240.08897	0.9
240.12453	0.7
241.09654	2.3
241.13313	1.0
242.10382	1.3
243.11292	0.2
249.10196	0.8
250.08577	0.9
250.10886	0.4
251.08012	1.3
251.11754	0.3
252.08943	1.2
252.10010	1.0
253.09674	6.1
254.10475	0.8
255.11125	1.1
256.11996	0.4
257.09134	0.2
257.12799	1.0
259.11035	0.2
265.09619	0.3
267.11240	13.1
268.09195	0.4
268.11948	0.9
269.09311	0.6
269.12793	1.6
271.10727	0.4
273.12357	0.5
275.13541	0.2
277.09738	0.4
278.08160	0.3
280.08270	0.3
281.09137	0.8
283.10739	0.4
284.11523	0.6
285.08704	0.6
285.12286	1.9
287.13879	0.6
295.10715	6.6
296.11612	0.3
297.12338	1.7
299.10416	0.5
299.13821	0.3
301.11884	0.3
303.04913	0.5
303.13342	0.4
305.14905	1.4
306.07565	0.2
313.11774	39.6
314.12216	1.1
315.13345	0.8
323.10220	2.2
327.13199	0.3
333.14246	1.2
341.11252	18.9
342.12003	2.2
343.12930	0.5
355.12943	2.1
359.12332	4.1
373.13876	100.0
374.14166	3.4
375.15329	0.5
465.18839	0.4
478.19760	0.4
506.19244	1.8
538.21698	1.6
562.10065	0.2
580.18762	0.2
601.27173	0.3
627.24274	0.8
641.25195	0.4
645.25543	1.6
659.26825	1.6
663.26270	0.6
677.28339	1.3
695.29443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.9
69.03439	1.9
69.07062	6.4
69.07378	0.6
69.45100	6.2
70.06596	1.4
75.75466	0.7
79.05493	0.9
81.03413	1.4
81.07081	1.9
85.02881	2.9
85.07685	2.0
86.09676	0.6
87.00854	1.4
91.05479	1.5
93.07069	1.7
94.06576	1.0
95.04988	2.2
95.08596	1.0
96.08199	1.1
97.02903	1.2
97.06578	0.7
105.07053	1.2
107.04946	0.6
107.07390	0.6
107.08588	1.2
108.08143	1.6
109.02892	1.2
109.10188	0.8
110.09697	1.3
119.05012	0.5
119.08634	1.3
120.08112	1.6
121.10176	0.8
121.76014	0.5
122.06049	1.4
123.06821	0.9
124.07613	1.6
127.03909	1.1
131.08522	0.8
132.08095	0.6
133.10159	1.0
136.07629	1.9
137.05988	0.8
138.05469	3.6
138.09122	7.6
138.09985	0.7
140.07016	5.6
145.10121	0.8
146.06088	0.7
147.11734	1.2
150.05498	1.3
151.03864	0.9
152.07132	1.2
154.08687	0.7
157.10173	2.2
159.11717	0.8
160.07602	0.8
164.07076	1.5
166.05006	0.7
166.08685	1.4
182.81053	0.6
188.03555	0.7
190.05045	0.7
190.08701	1.6
199.08693	1.0
200.09622	0.7
201.10269	2.0
211.08694	0.9
211.12538	0.7
212.09334	0.7
213.10223	1.6
220.85846	0.6
225.10231	2.7
225.34555	0.6
226.10960	0.6
227.08134	0.6
231.11357	2.4
237.10231	2.5
238.10941	1.2
239.08083	1.3
239.11858	1.8
240.12448	1.0
241.09729	1.7
241.13148	0.8
243.11423	1.8
246.13739	1.0
248.09085	3.3
249.10312	2.5
250.11009	1.3
251.08211	1.6
251.11807	2.4
252.08984	0.8
253.09760	2.6
253.13451	0.9
253.19489	4.2
255.11220	1.7
259.10788	1.2
263.08298	0.7
263.11716	0.8
265.09732	2.0
266.10565	1.0
267.07675	1.0
267.11359	3.0
271.10941	1.6
271.20648	1.0
273.12250	5.5
277.09750	1.6
278.06628	2.4
278.10602	1.0
279.07959	1.1
279.11343	4.0
280.11810	1.5
281.09317	1.5
281.12653	0.5
283.10843	1.6
284.11856	0.6
285.12402	1.8
287.10345	1.0
293.09265	1.8
293.12863	1.8
295.10818	3.3
295.13745	0.6
297.08740	1.2
297.12366	2.2
299.10397	0.7
299.13962	1.4
301.11884	1.0
302.12866	1.0
303.13358	3.3
304.14215	0.6
307.10764	1.9
309.12326	1.4
311.10391	3.6
311.13583	0.8
312.10938	0.7
313.11862	2.7
315.13495	0.7
317.11597	1.1
318.12473	0.9
323.10327	0.8
325.11826	5.4
326.12628	1.3
327.05115	1.1
327.13474	1.3
328.14197	0.9
329.11606	0.9
330.12469	1.3
331.13538	0.8
332.13995	1.2
333.08813	0.9
333.14804	0.8
337.11859	1.3
339.13266	3.5
341.11456	1.1
342.12366	1.1
343.13123	2.4
344.14008	2.6
345.14874	1.2
346.15646	0.8
351.09769	2.4
353.11243	1.4
353.14966	0.9
355.13019	0.9
356.13977	1.1
357.14597	1.8
358.15695	1.4
359.12265	1.4
360.13379	1.9
360.17300	1.1
362.15030	1.5
363.15573	5.3
366.12106	2.2
367.12976	2.5
368.14005	1.0
369.14651	1.1
370.11737	1.0
370.15887	0.8
372.13202	1.3
372.17563	0.7
373.13815	0.9
374.14920	1.8
376.16748	3.1
377.13831	0.7
383.11951	0.7
384.13367	1.8
385.14215	0.8
386.14850	1.6
388.12341	0.8
388.16733	1.3
389.17526	1.7
390.13531	3.4
390.18872	3.0
392.16013	1.6
394.17596	0.9
397.14075	0.9
398.14993	1.8
399.15482	2.5
400.16425	1.2
402.18323	1.0
403.15155	1.0
404.15814	4.9
404.31097	0.7
405.16812	1.5
406.17593	1.1
414.14694	0.9
415.10254	1.1
416.15903	1.1
417.17358	0.8
418.13321	1.5
418.18149	1.7
419.18518	1.6
422.17090	7.6
423.13931	0.7
428.16025	0.8
430.17715	1.1
432.15143	1.4
433.16336	5.6
434.16614	3.3
436.18799	1.0
438.20288	1.9
445.16165	1.0
446.17316	3.2
447.12732	1.5
447.18268	1.4
450.16202	7.4
451.16595	1.0
460.19037	0.8
463.17474	1.7
464.18008	2.0
465.18875	14.9
466.19485	2.1
474.16776	3.5
478.19693	22.3
479.19833	0.9
480.21353	1.8
488.18015	2.1
491.16928	1.2
496.17490	0.9
506.19183	100.0
507.19611	5.5
524.20221	5.8
528.20032	1.1
530.21686	1.2
538.21771	81.8
539.22424	13.0
556.22852	4.7
613.22900	5.0
627.24103	1.8
635.26740	1.0
645.25250	9.4
659.25403	0.7
663.26520	3.6
677.27588	1.1
695.28619	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	695.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07047	1.7
70.82365	2.6
81.03381	1.0
94.06503	0.9
95.04938	0.8
108.08109	1.2
119.53066	0.7
120.08090	1.1
122.05999	1.4
136.07579	1.0
138.09143	1.0
140.07042	2.4
148.07457	0.8
152.07005	1.8
157.10182	0.9
166.08629	1.7
177.63657	0.7
192.06573	0.8
194.08098	1.7
196.92174	0.7
211.08601	1.2
213.10262	1.2
219.03987	0.8
221.10695	1.0
223.12373	1.6
225.10126	2.3
232.89001	0.8
235.08618	3.0
236.09410	1.1
237.10143	3.5
238.11087	1.0
239.11755	1.7
241.09615	1.2
248.09282	0.8
249.10197	13.1
249.12555	1.3
250.10880	5.2
251.08067	1.8
251.11734	8.7
252.12460	1.3
253.09709	1.9
253.19482	1.1
254.10379	1.0
261.10217	1.1
263.08130	1.7
263.11960	1.4
264.08887	2.7
265.09668	12.3
265.12793	1.2
267.11246	4.4
268.12149	1.4
269.12823	1.7
277.09650	7.9
278.10422	11.6
279.07620	10.4
279.11255	23.5
280.11960	2.1
281.09235	1.6
282.09818	2.0
283.10645	1.0
285.12317	1.2
289.09546	1.0
292.08478	1.3
292.11926	1.1
293.09494	1.6
293.12762	24.1
295.10764	4.1
295.14053	1.3
296.11560	2.3
297.12195	5.4
305.09219	6.5
306.09943	3.8
307.10727	12.3
308.11377	1.7
309.08856	1.1
309.12164	7.0
310.09351	3.1
310.12927	1.4
311.10196	7.3
311.13895	3.5
312.14774	1.3
313.11871	8.7
313.15326	1.8
321.12354	1.8
322.12894	1.1
323.10321	5.2
323.13626	1.3
324.11029	3.1
325.11740	15.4
326.12643	1.8
333.08661	10.0
337.11832	3.0
338.12646	4.3
339.13342	44.3
340.13940	1.3
341.11319	6.1
342.12177	1.5
343.12674	1.5
345.14523	0.9
351.09735	18.1
352.10342	2.3
352.14291	1.1
353.10864	1.4
353.14920	14.0
354.12360	1.1
355.12866	2.0
356.13672	2.1
357.14380	2.0
358.15491	1.2
366.12036	24.0
367.12842	9.0
368.13589	1.1
369.14417	8.5
371.16028	4.6
373.13898	10.1
373.18030	0.9
383.12207	3.9
384.13278	4.8
386.15048	1.5
396.13162	1.0
397.13889	3.4
398.14740	13.5
399.15439	100.0
400.15762	3.4
401.13159	1.5
414.14182	2.2
418.17249	0.9
428.16196	0.9
430.13449	0.9
439.77457	0.8
442.18118	1.0
444.15570	0.8
446.17023	1.6
454.13663	1.4
460.18747	1.3
472.14996	2.6
473.15567	5.4
474.16489	9.6
476.18048	1.5
477.18921	2.0
478.19388	1.2
492.17703	2.3
504.17340	2.2
505.18317	12.6
506.19141	14.2
507.19513	1.3
508.20618	1.6
512.23877	4.1
523.19470	2.7
524.19897	1.5
538.21741	68.1
539.22406	11.2
556.22766	22.7
557.23114	1.0
595.22113	1.6
601.26282	0.9
613.23077	4.8
627.24219	2.6
631.23181	1.4
645.25275	10.9
659.26471	1.3
663.26501	5.6
677.27966	1.6
695.28790	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71817	1.5
53.03933	6.1
55.01862	3.8
55.05495	6.9
56.05010	2.8
57.03430	3.3
60.15092	1.4
61.02922	8.6
66.58616	1.2
67.05497	13.4
69.03419	20.0
69.07067	4.8
70.06574	4.3
70.23202	3.6
70.23616	4.9
71.04977	3.3
73.02906	6.2
79.05486	10.4
81.03405	17.9
81.07046	21.5
83.04972	11.2
83.08591	3.6
84.08131	2.1
85.02892	35.7
85.06560	1.8
86.09674	1.9
87.00813	12.8
91.03948	4.5
91.05473	11.6
93.07024	16.2
94.06548	4.4
95.04945	5.7
95.08601	13.0
97.02872	13.5
97.06500	2.4
97.10158	2.5
99.04441	6.6
101.02347	1.9
101.06000	5.3
105.01868	11.1
105.07014	16.8
105.98116	1.5
106.06601	1.7
107.08567	16.7
108.08130	6.2
109.02858	16.3
109.06521	7.7
109.10146	15.8
114.39618	1.5
117.01920	1.4
117.06992	3.4
118.06544	1.5
119.08562	12.3
120.07276	1.4
120.08103	4.8
121.06492	4.6
121.10128	19.0
122.09698	2.3
123.08030	4.2
123.11707	2.5
125.09655	3.2
127.03902	25.9
128.06160	2.2
129.01810	2.1
129.06987	5.0
131.08563	13.9
132.08076	2.0
133.10109	18.5
134.09624	4.6
135.08037	1.9
135.11668	5.5
136.07419	1.5
137.09550	2.6
139.07501	1.6
141.06979	3.1
141.09183	2.3
142.07765	4.7
143.08539	10.7
144.08034	2.0
145.04950	7.7
145.10075	16.3
146.09525	1.9
147.11668	20.6
149.09593	2.0
151.07530	2.8
151.11140	2.4
155.08586	3.0
157.10109	38.5
157.11388	2.1
159.02882	8.6
159.11653	19.2
161.09599	2.1
161.13232	5.0
165.09143	1.8
169.10066	4.9
171.11682	13.4
173.13258	6.4
175.11205	4.0
177.12708	2.3
179.10614	3.4
183.11703	5.3
183.13481	1.4
185.13260	3.6
193.12082	1.9
197.13260	8.1
199.14883	2.1
208.17018	1.5
208.83484	1.4
209.13194	1.8
211.14812	5.7
213.03830	2.0
213.16389	3.5
214.98927	1.6
217.08492	1.9
224.15515	2.5
225.16302	4.8
231.04973	4.6
238.17078	2.5
251.17854	4.6
253.19487	100.0
254.19902	5.1
255.21133	5.9
271.20520	69.0
272.20444	4.9
289.22729	2.1
295.20413	1.5
337.25140	1.9
355.26138	1.8
371.25626	1.5
386.26599	2.3
393.27618	5.1
398.26666	2.5
411.28897	27.4
423.29514	2.8
429.29932	17.8
441.30942	2.3
454.29663	1.8
490.31589	7.2
515.34674	1.9
519.25739	13.5
533.28510	2.4
533.35876	32.1
659.37769	1.6
677.38422	3.7
695.41290	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	695.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01356	0.5
55.01859	4.4
55.05489	2.0
57.03425	2.9
57.07060	0.7
61.02928	2.5
64.12360	0.5
65.03935	0.9
67.05495	10.7
68.99770	1.2
69.03419	16.5
69.07050	3.7
70.06562	0.6
71.04978	3.2
71.70074	0.9
71.70454	0.6
73.02899	4.1
79.05481	8.1
80.51025	0.5
81.02946	1.1
81.03403	20.9
81.07046	13.4
81.96130	0.5
83.01311	0.7
83.04945	1.0
83.08603	1.1
85.02892	30.7
85.06532	3.0
86.09683	0.7
86.36253	0.5
87.00815	12.8
89.38030	0.5
91.03938	1.4
91.05461	10.2
93.07029	12.1
95.04968	2.6
95.08591	9.6
97.02877	12.2
97.06506	2.0
99.04441	8.0
103.03980	0.6
105.01849	9.7
105.04438	0.6
105.07008	15.2
105.07715	0.9
107.04944	4.3
107.07910	0.8
107.08576	10.9
108.08111	0.7
109.02860	19.7
109.06502	1.3
109.10138	9.3
113.05981	1.4
115.03876	1.2
115.05406	0.5
115.07539	1.3
116.06155	0.5
117.01806	2.0
117.06995	4.9
119.08563	7.6
120.08048	0.6
121.06484	2.4
121.10120	14.9
122.10445	0.5
123.08044	1.1
123.11662	1.4
127.03892	26.7
128.06206	1.9
129.01801	2.5
129.06990	5.5
130.07794	0.5
131.08542	13.0
133.10110	13.5
134.10480	0.5
135.08066	0.8
135.11670	3.9
136.07518	1.0
137.05997	0.5
137.09566	1.3
138.09085	0.9
139.03893	0.9
141.06975	2.9
141.09027	1.0
142.07771	5.3
143.08543	12.7
144.09300	1.5
145.04942	9.3
145.10101	15.3
147.02963	1.6
147.07930	0.7
147.11662	21.2
149.01236	0.8
149.09528	0.9
149.13206	1.6
151.03786	0.6
155.08528	5.3
156.03574	1.5
157.10100	39.4
158.10553	1.2
159.02864	10.4
159.08009	0.8
159.11671	20.2
160.12086	0.6
161.13243	4.0
163.11169	1.3
165.09079	1.5
167.08505	0.9
168.43776	0.6
169.10103	5.5
171.11670	11.9
173.09563	0.7
173.13208	6.8
175.11121	0.8
179.08485	0.7
181.10100	1.6
182.10846	1.1
183.11646	6.4
184.07281	1.0
185.13217	4.7
187.14809	1.2
189.03987	1.0
189.12712	0.8
193.10141	0.9
195.11658	2.0
197.13258	8.2
199.14822	1.9
209.13274	2.6
211.14763	6.9
212.15480	1.0
213.03842	1.3
213.12601	0.7
213.16328	1.6
221.13197	0.9
223.14708	1.5
224.15578	1.3
225.10158	0.9
225.16377	4.0
227.14265	0.7
230.09830	0.9
231.04990	6.8
235.14742	1.0
237.16388	0.9
238.17082	1.9
239.17917	1.3
241.13503	0.6
245.10393	2.0
249.06030	1.4
249.16370	0.8
251.17906	5.4
253.19475	100.0
254.19829	5.8
255.21056	4.1
257.70816	0.5
259.10703	0.9
263.17944	0.7
265.19489	1.1
271.20532	12.4
277.19376	0.7
279.20993	1.0
281.22516	1.0
287.10364	0.8
289.19617	0.7
299.10135	0.7
313.11981	0.6
325.21826	0.7
335.23587	3.6
339.13287	0.9
353.24655	0.9
357.25748	0.9
373.13779	0.7
375.26645	3.4
381.28107	1.0
393.27814	14.9
411.28958	4.0
415.10120	1.4
429.29987	1.8
447.12686	1.3
450.16046	0.9
465.18503	1.4
467.60806	0.6
470.22748	2.1
470.72562	1.5
478.19504	1.8
483.23215	0.6
501.24667	1.6
506.19144	7.5
507.19479	0.8
519.25842	15.8
520.26422	1.0
538.21954	5.0
539.22430	1.0
556.22723	0.7
601.29974	9.1
602.30023	1.1
615.35211	1.7
619.31140	2.9
628.43433	0.5
647.34595	0.6
659.34143	18.3
660.34161	1.5
677.24219	0.8
677.35266	15.0
678.35419	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.05244	0.4
55.05501	7.1
56.04805	0.3
56.05027	3.8
57.03416	0.5
57.07059	3.5
58.06586	0.5
60.04512	2.9
61.02895	0.6
65.03914	0.7
67.04221	0.4
67.05491	11.4
67.32330	0.3
68.04997	1.2
69.03422	2.8
69.07053	7.9
70.06583	2.8
71.08601	1.8
73.02870	0.3
79.05473	10.1
80.04994	3.2
81.03391	1.2
81.05762	1.8
81.07046	10.6
82.06562	7.8
83.08598	5.2
84.08150	0.7
85.02890	4.4
85.10150	0.6
85.24193	0.3
91.04929	0.6
91.05460	9.0
93.05768	0.8
93.06427	0.5
93.07025	10.6
94.06548	19.0
95.04923	1.4
95.06773	0.6
95.07332	8.2
95.08584	7.2
96.08109	6.5
97.02872	1.6
97.06509	0.7
97.10148	2.5
99.04452	0.4
105.07001	5.3
105.09894	0.3
107.07306	0.6
107.08565	4.7
108.08079	2.8
109.02872	0.4
109.10124	3.1
111.11666	0.9
117.07021	0.6
119.08556	6.2
120.08064	0.4
121.08801	0.8
121.10114	6.0
122.09650	2.8
123.11662	1.6
124.11187	0.9
127.03887	0.6
133.10074	3.0
134.09651	0.4
135.10469	1.0
135.11653	2.9
136.11139	1.1
137.13226	0.6
145.04968	0.6
147.11621	1.3
149.13229	1.0
151.14764	0.6
152.90279	0.4
161.13187	0.8
163.14728	0.4
175.14853	0.4
193.19392	0.6
199.05031	0.4
202.65433	0.4
219.20969	0.7
233.22569	2.7
245.22615	5.6
250.25244	6.0
251.25735	0.3
254.24719	1.3
260.23703	0.4
262.25247	100.0
263.23343	0.4
263.25781	1.9
264.26932	0.4
272.25784	5.2
280.26318	5.9
312.25342	0.6
318.28033	0.4
338.30063	0.4
343.14874	0.3
404.82791	0.4
442.31705	0.8
504.47638	3.5
516.47675	22.8
517.47943	0.8
518.49194	7.7
534.40863	0.5
534.48737	5.6
696.53943	3.4
724.71625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01865	1.8
55.05507	1.1
57.03426	2.6
58.46110	0.4
61.02900	0.8
67.05465	0.4
68.99780	0.9
69.03421	5.7
69.72997	3.1
70.06566	1.0
70.60918	0.4
71.01337	0.5
71.04978	11.4
72.08119	0.6
73.02905	2.1
81.03404	4.7
81.07022	0.4
83.04960	1.4
84.95147	0.3
85.02890	20.0
87.00822	2.9
87.04436	0.5
91.05460	0.9
94.06578	0.4
95.04932	0.7
97.02874	5.0
98.20720	0.7
99.04420	2.1
100.11230	2.2
105.01846	2.4
105.06939	0.4
107.04956	0.6
109.02863	5.9
109.31776	0.4
111.00793	0.6
111.04405	1.1
117.01794	0.4
121.02829	1.4
122.06034	0.5
123.04443	0.6
127.03011	0.7
127.03890	7.6
128.07094	0.4
129.05458	3.1
130.65381	0.4
135.04398	1.1
136.07567	0.4
137.02342	2.9
137.05968	0.6
139.03850	0.6
140.07050	1.1
145.04953	2.6
146.05994	0.6
147.02794	0.5
147.04407	0.5
147.06473	0.5
148.07541	0.8
149.07407	0.8
151.03893	0.6
153.01790	2.6
159.02844	2.8
163.03859	3.3
165.01837	1.5
166.08664	0.5
177.05426	0.4
182.15379	0.8
183.02896	0.8
189.03914	0.5
197.35756	0.4
199.08589	0.4
201.05466	1.5
204.06561	0.4
205.04811	0.6
209.16451	0.6
210.14824	0.6
211.08612	1.1
213.10150	0.8
225.10205	0.4
226.10710	0.5
227.11685	0.5
228.08829	0.6
229.04968	3.2
229.09880	0.6
231.04916	1.8
237.10240	0.5
239.11748	1.3
240.12366	0.5
241.09599	1.7
243.11176	0.5
247.05951	0.6
249.10217	0.5
253.09811	0.8
254.09959	0.5
255.11266	1.1
256.06775	0.5
257.04410	2.5
257.08014	1.1
257.12863	0.5
267.11292	1.5
268.11569	0.9
269.11807	0.6
274.04602	0.7
283.10620	1.2
285.03864	1.4
285.12384	0.5
287.05569	3.7
287.10239	0.6
295.10660	0.5
296.11166	0.6
301.11832	3.7
302.04092	1.1
303.04938	100.0
304.05255	3.0
313.11765	3.0
314.12134	2.5
315.04926	0.5
315.12442	1.6
317.06522	7.4
329.11288	1.3
341.11331	1.4
342.11566	1.4
343.12009	0.4
345.05994	1.4
360.12534	0.5
361.13361	0.5
369.06073	0.5
373.13895	6.1
374.14267	8.4
375.14438	5.4
385.13824	0.6
389.12891	1.5
399.14993	0.5
413.08517	0.6
449.10803	1.9
510.78061	0.5
522.18695	0.8
540.21094	0.6
551.09399	0.6
554.17163	0.5
585.24640	0.4
599.21088	1.0
611.20807	0.6
629.22144	0.7
631.23724	1.0
661.24719	0.8
678.49664	0.7
679.25696	1.2
696.50830	0.4
697.25012	0.5
697.52332	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	697.1594
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03929	1.1
55.01850	1.1
56.89685	0.3
57.03429	1.8
61.02915	0.6
61.69408	0.2
66.92130	0.2
68.99773	0.5
69.03419	4.0
69.35014	2.5
69.57194	0.2
71.04981	7.4
73.02896	1.1
75.04453	0.3
75.29882	0.2
75.95065	0.2
81.03406	4.6
83.04940	0.6
85.02892	15.6
87.00817	3.3
87.04454	0.4
95.04943	0.6
97.02877	3.0
98.20719	0.4
99.04429	2.1
105.01856	2.1
109.02144	0.2
109.02860	5.4
111.00790	0.8
111.04409	0.7
111.53407	0.3
117.01833	0.6
121.02897	0.6
123.04403	0.3
127.03892	7.0
129.01830	0.6
129.05482	1.5
137.02325	2.5
145.04935	2.8
147.02846	0.5
147.06480	0.4
149.02292	0.3
153.01793	2.4
159.02855	2.3
165.01819	1.5
173.05937	0.4
183.02893	0.7
189.04004	0.3
190.91402	0.3
201.05450	1.4
205.04918	0.3
229.04947	3.0
231.04988	1.5
231.48723	0.3
247.06010	0.5
250.90172	0.3
257.04401	2.3
274.04636	0.6
275.05386	0.3
285.03833	1.0
303.04947	100.0
304.05316	3.8
315.04807	0.5
339.43057	0.3
345.06009	1.0
369.12149	0.3
449.10632	0.7
551.10217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01856	1.1
55.05482	0.9
57.03429	2.8
61.02915	0.7
64.05226	0.3
64.76453	0.3
67.05491	0.4
68.99771	0.9
69.03417	4.2
69.62978	2.1
70.06572	0.6
71.04977	11.4
72.10188	0.3
73.02897	1.2
75.04447	0.9
75.35781	0.3
79.05531	0.3
81.03403	4.8
83.04960	1.2
83.08612	0.4
85.02888	21.0
87.00814	3.8
91.03967	0.3
93.07066	0.3
97.02871	2.1
99.04429	1.7
100.11223	2.6
105.01853	3.1
109.02846	5.2
110.09694	0.4
111.04404	1.4
117.01801	0.4
121.02819	0.6
123.04395	0.4
125.33897	0.3
127.03889	7.6
129.01801	0.5
129.05472	2.8
136.03813	0.3
137.02313	2.4
138.09082	0.4
145.04936	2.7
147.06531	0.6
153.01779	2.2
159.02859	2.7
163.03880	0.8
165.01802	1.7
166.08632	0.8
182.15359	0.8
183.02901	0.5
188.03363	0.5
189.03828	0.3
195.02870	0.4
199.08646	0.4
201.05467	0.9
206.04520	0.6
209.16495	0.9
210.14839	1.2
213.03812	0.5
213.07335	0.4
213.10242	0.5
215.03331	0.5
227.11752	0.5
228.04134	0.3
228.08632	0.3
229.04918	3.3
229.09633	0.4
231.04987	1.4
232.99306	0.4
241.09628	1.3
247.06027	0.6
255.11264	0.7
257.04401	2.3
269.08960	0.4
273.12228	0.3
274.04712	0.7
283.10724	0.5
285.03903	1.1
287.10269	0.5
301.11740	3.4
303.04929	100.0
304.05273	3.2
315.04926	0.9
317.11215	0.6
319.13092	0.4
329.11224	1.0
341.11267	2.0
345.05826	1.6
369.05905	0.4
395.07898	0.4
413.08435	0.5
449.10648	2.3
481.60818	0.4
507.82849	0.3
538.18085	0.4
551.10156	1.1
599.21051	1.1
611.21729	0.6
631.24066	0.9
643.23840	0.6
661.25079	0.7
679.25604	1.0
697.26459	0.5
697.51880	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	697.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01872	1.6
57.03427	2.5
61.02883	1.1
68.99751	1.1
69.03423	6.4
69.36704	3.4
70.06557	0.5
71.04983	8.1
73.02869	1.1
76.39520	0.3
81.03403	7.7
82.99695	0.3
83.04943	0.8
85.02893	20.1
87.00339	0.4
87.00813	5.3
87.04419	0.4
91.03889	0.3
95.04939	0.5
97.02325	0.3
97.02880	4.2
99.04440	2.8
101.93322	0.3
103.03898	0.5
105.01844	3.5
109.02192	0.6
109.02869	7.5
111.00775	0.7
111.04410	0.5
113.14703	0.3
117.01847	0.7
118.07466	0.3
121.02847	1.6
123.04395	0.7
127.03899	10.3
128.04207	0.3
129.01778	1.1
129.05440	1.6
135.04379	0.6
137.02307	3.0
138.05371	0.3
139.03842	0.5
145.04927	4.5
147.02869	0.6
147.04346	0.5
147.06297	0.3
149.02342	0.4
151.03813	0.3
153.01799	3.5
159.02863	4.0
159.06004	0.3
160.57068	0.3
163.03882	1.9
165.01797	1.7
166.08585	0.4
170.96510	0.3
173.05824	0.4
179.95940	0.3
181.04860	0.3
183.02864	0.8
187.03870	0.3
188.03400	0.7
189.03891	0.5
195.03096	0.3
201.05432	1.2
206.04425	0.5
213.03725	0.5
213.05522	0.6
219.06615	0.4
229.04903	3.1
231.04839	2.0
245.04295	0.4
247.06009	0.6
257.04468	2.3
274.04849	0.4
285.03900	1.0
287.05457	40.2
288.05765	1.2
299.05206	0.4
303.04947	100.0
304.05298	3.0
315.05151	0.5
317.06516	0.4
327.05206	0.3
329.06628	0.3
341.11127	1.5
345.05975	1.2
379.07895	0.3
389.12421	0.7
413.08752	0.5
449.10703	7.1
449.16553	0.6
470.87775	0.3
545.10529	0.5
551.10260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01860	1.8
57.03428	1.7
69.03422	5.4
69.07059	2.3
69.35294	3.5
69.35705	10.2
70.06568	1.2
71.04977	2.1
71.57582	1.1
73.02890	1.4
73.76385	1.0
79.05466	1.8
81.03414	5.0
85.02892	11.7
87.00813	3.7
94.06564	1.4
97.02909	3.8
98.20734	2.4
99.04449	2.3
99.99207	1.0
100.11285	1.1
105.01863	3.4
108.08097	1.6
109.02869	3.8
110.06070	1.2
122.06020	4.3
122.95059	1.3
127.03876	8.4
136.95639	1.2
140.07068	7.6
145.04953	3.9
146.05991	3.4
148.07631	1.3
152.07103	3.3
153.01830	1.5
154.08611	2.7
159.02881	4.3
172.03929	7.1
174.05554	4.0
176.07030	3.2
194.08136	3.8
196.09575	1.8
204.06561	2.9
206.08202	1.9
213.10201	2.9
223.12000	1.1
225.10277	10.3
226.10934	1.6
235.08578	1.3
236.09460	1.1
237.10143	6.1
238.11044	4.0
239.11748	3.4
240.12531	6.6
241.09778	2.0
243.11147	2.2
249.10294	3.7
250.11012	1.8
251.08141	1.6
251.11865	6.6
252.09048	1.9
252.12506	2.1
253.09702	9.4
253.13239	1.7
255.11285	2.0
263.11823	2.2
264.12509	1.3
265.09698	11.3
266.10501	5.0
267.11307	9.0
271.10773	2.2
273.12384	1.5
277.09561	2.5
278.10501	3.9
279.08179	1.5
279.11163	7.2
280.12000	2.4
281.09628	1.2
281.12897	3.0
282.10071	1.9
283.10834	5.0
285.12305	5.2
287.05472	69.1
288.05823	3.1
292.11975	1.4
293.09198	18.6
293.12662	3.3
294.09937	16.3
295.10754	10.8
295.14178	2.2
297.12335	10.5
299.13803	8.3
301.11978	6.9
303.04993	2.6
303.13425	4.4
307.10794	2.1
307.14185	1.3
308.11435	2.1
309.12292	27.7
310.12592	1.9
311.10217	1.7
311.13638	2.1
311.74487	1.2
312.11212	5.4
312.14322	1.8
313.11737	8.0
317.15277	1.5
324.11102	2.0
325.11823	8.9
327.13367	36.4
328.14090	2.3
329.11346	1.9
331.13129	1.8
332.13959	1.5
335.10211	4.8
337.11948	2.3
339.09320	2.0
339.13403	41.1
340.13953	5.9
341.14938	3.6
345.14426	2.3
351.13297	7.0
353.11179	7.4
354.12192	2.9
358.15491	1.5
367.12885	43.7
368.13559	9.1
369.14444	49.8
370.14890	1.5
372.13333	2.8
373.13940	3.6
374.14902	4.0
385.14014	2.7
386.14923	2.7
387.15683	2.5
388.16525	2.2
391.14850	1.6
399.15289	5.4
401.17120	12.4
414.14502	3.3
415.15201	4.8
416.16098	8.0
430.17810	2.0
434.17285	2.9
446.17599	1.7
447.17587	1.5
456.15344	1.3
474.16525	6.3
475.17166	3.5
476.17825	3.7
480.21561	1.4
482.22708	5.6
492.17426	2.2
508.20786	100.0
509.21432	8.2
526.21649	4.9
540.23370	48.8
541.23718	2.6
610.91339	1.4
615.24475	28.3
633.25146	4.9
647.26196	2.0
665.26715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01875	0.5
55.05503	1.1
57.03429	2.0
61.02919	4.2
67.05506	2.8
69.03420	3.2
69.07042	1.0
69.90050	1.7
71.04977	1.5
73.02911	2.7
75.04474	0.4
79.05481	2.8
81.03409	5.4
81.07040	3.5
83.04966	1.4
83.08168	0.3
83.08608	1.8
85.02887	7.3
87.04465	0.6
88.20066	0.4
91.03932	2.6
91.05469	3.7
93.07030	2.4
95.04951	2.7
95.08576	2.1
97.02878	4.0
97.06530	0.6
97.10147	0.4
99.04458	1.0
101.02387	1.1
105.07027	2.8
107.04958	0.5
107.08562	0.9
109.02864	0.8
109.06529	0.5
109.10154	0.7
111.04417	0.4
111.08099	1.0
115.03942	0.5
117.07066	0.4
119.08556	2.7
120.72924	0.3
121.06413	0.5
121.10090	1.8
123.08060	0.7
125.09629	0.4
127.03921	1.5
129.06981	0.4
131.08559	1.5
131.57834	0.3
133.06535	0.4
133.10112	1.8
137.05959	0.6
142.07780	0.3
145.10156	0.7
147.04425	0.7
147.11659	1.8
149.09639	0.4
151.07616	0.5
157.10065	1.9
158.10400	0.5
161.09647	0.5
163.03897	0.5
163.11168	0.6
168.47469	0.4
175.11183	1.4
193.12238	2.3
197.35236	0.3
211.13385	1.1
221.84109	0.4
243.08339	2.0
251.12503	2.2
253.19603	0.9
253.93385	0.4
254.19853	0.5
303.05136	1.1
307.15140	0.7
413.30194	0.5
431.31348	0.8
449.32544	0.6
469.13797	0.6
469.20398	11.6
470.20978	0.4
480.55731	0.4
480.74481	0.4
527.62506	0.4
549.43866	0.4
697.33899	100.0
698.34052	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	697.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.0
57.03418	2.7
61.02913	7.5
67.05491	14.0
69.03403	4.3
69.07052	3.1
72.08130	1.5
72.70338	1.5
73.02890	4.2
79.05481	2.3
81.03390	3.4
81.07047	6.7
82.23216	1.7
83.08594	2.6
85.02893	8.7
86.09701	1.7
91.03907	2.8
91.05460	2.1
93.07035	3.5
95.08588	2.4
97.02885	6.7
98.20652	3.8
99.04420	1.4
101.02385	2.1
105.06969	2.6
107.08569	2.3
109.02843	2.0
109.10139	12.2
111.87564	1.4
119.08545	1.8
124.98206	1.4
127.03861	3.5
149.13303	1.5
159.99928	1.4
162.04503	1.8
173.11758	4.6
185.04231	4.5
186.42828	1.4
221.11540	1.9
227.05125	1.5
229.14368	3.5
231.21704	2.2
243.08319	4.3
301.09003	5.8
303.04901	4.5
315.10416	3.2
371.16769	4.7
373.10886	2.0
385.17740	1.7
410.51004	1.6
413.17734	23.0
425.21301	2.9
429.17395	1.7
453.21161	5.8
463.26306	2.2
469.20251	2.4
485.19812	8.1
497.23401	1.9
499.21033	3.2
516.21552	2.3
541.25989	6.3
553.29254	4.2
567.31305	24.1
596.31396	7.1
625.31854	100.0
626.32123	4.0
628.30768	9.3
639.56189	1.6
651.33301	6.4
653.35669	2.1
669.33942	2.6
697.33832	34.2
698.33887	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	699.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25742	0.4
55.05507	0.6
63.07937	0.4
67.05486	1.6
69.07061	0.8
71.69591	0.7
79.05480	0.9
81.03390	0.6
81.07052	1.1
91.05475	0.7
93.07040	0.9
95.08581	1.0
105.06995	0.6
107.08557	0.5
109.10102	0.7
147.11710	0.4
165.05609	0.5
175.03853	0.8
177.05576	0.4
185.04202	0.5
217.16080	0.5
259.07877	0.8
275.20093	0.9
301.20120	0.9
347.09329	0.6
352.10724	0.4
358.08481	0.5
537.30261	17.9
538.30322	0.5
681.40503	0.5
699.35474	100.0
700.35779	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	700.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65543	0.2
52.30840	0.3
53.03938	1.0
55.01862	1.3
55.05495	0.4
57.03415	0.6
61.02923	0.5
67.05486	0.4
68.99773	0.4
69.03410	3.0
69.07053	0.5
69.82024	1.7
70.06570	0.6
71.04966	0.5
71.15389	0.2
72.08141	0.2
73.02884	0.7
78.04692	0.9
79.05480	1.5
81.03000	0.3
81.03408	3.6
81.07027	0.6
84.08099	0.2
85.02885	7.0
86.09674	0.7
87.00810	2.6
89.03891	0.2
91.03942	0.2
91.05447	2.8
93.07009	0.9
93.54514	0.2
93.96264	0.2
95.04952	1.3
95.08611	0.3
96.08129	0.2
97.02872	3.1
97.06494	0.3
98.21467	0.2
99.04447	1.4
103.05442	1.2
105.01849	1.6
105.06324	0.4
105.07009	6.3
106.04147	0.7
107.04937	2.4
107.07296	0.3
107.08575	0.4
108.04461	0.8
108.05193	0.2
109.02858	3.2
109.10098	0.6
111.04431	0.5
115.05430	3.3
116.23219	0.2
117.01859	0.5
117.06994	1.0
118.04105	0.4
119.04955	0.2
119.08546	1.4
120.08053	0.3
120.73784	0.2
121.06500	1.1
121.10071	0.2
123.04391	3.5
124.05183	1.3
126.05458	0.7
127.03886	4.5
128.06161	0.5
129.01846	0.4
129.07014	1.1
131.04897	0.8
131.08542	0.6
132.05659	0.8
133.06465	8.0
133.10117	0.4
135.04385	0.4
135.08072	0.3
137.05914	0.5
137.09630	0.4
141.06960	0.5
143.04886	1.3
143.05939	0.4
144.05592	0.4
145.04956	1.8
145.06451	0.9
146.07198	1.0
147.02873	0.3
147.04419	0.5
147.08011	3.7
149.05969	1.8
150.05475	0.3
151.03830	0.9
151.96277	0.2
152.04649	1.2
152.05833	0.2
153.05424	0.4
153.06958	0.6
155.08481	0.4
157.06438	1.1
157.10011	0.4
159.02849	1.6
159.08023	0.8
160.05151	0.5
161.05943	11.6
163.03850	0.4
163.07480	0.5
166.06186	0.2
167.07004	100.0
168.07303	1.0
169.06345	0.2
169.37341	0.2
170.07230	0.6
173.05925	0.7
174.06773	0.5
175.07506	5.8
176.04620	0.3
177.05431	0.7
178.06242	0.4
179.06981	0.4
181.06412	0.3
181.06833	0.3
181.08560	3.7
185.09570	1.3
187.07483	1.7
187.74243	0.3
191.07001	1.3
192.07805	1.3
193.08568	48.8
194.05667	0.3
194.08897	0.7
195.10136	1.8
196.47667	0.2
198.06680	0.3
199.07478	0.5
201.09012	0.5
205.08572	3.0
207.10124	57.0
208.10483	0.8
209.08020	2.7
211.09608	16.4
213.09055	2.6
217.08536	1.6
219.10132	4.9
221.08142	0.2
221.11656	0.5
230.63528	0.2
231.04880	0.6
231.10078	2.0
233.11630	1.0
235.09589	0.9
237.11177	5.9
241.08591	0.3
245.11696	5.6
247.09637	0.3
248.07594	0.5
249.11162	0.5
251.12775	1.4
259.09689	0.5
261.11206	0.5
263.12714	2.8
265.10480	0.3
266.08676	0.4
269.11914	0.3
271.09631	0.4
273.11163	0.6
277.10599	0.3
301.10617	0.8
317.93332	0.2
319.11734	0.5
335.12634	0.5
345.13495	0.5
363.14230	0.7
367.15295	0.7
399.17960	15.2
399.74869	0.2
401.19333	0.4
405.12061	0.3
417.19016	5.3
423.17780	0.3
441.18857	0.8
483.20404	0.3
489.18573	0.3
507.19876	1.0
525.21063	0.6
629.22369	0.4
712.45795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01853	7.9
55.05500	11.8
57.03408	4.8
57.07079	2.0
66.17426	2.0
67.05141	3.5
67.05495	62.2
67.42452	1.9
69.03416	2.2
69.07059	15.8
71.04981	2.9
72.11834	2.1
79.05482	19.1
80.05834	2.2
81.03369	4.2
81.06591	3.1
81.07037	26.2
83.04964	3.6
83.08592	7.3
91.05464	28.2
93.07036	17.0
95.01321	3.9
95.04933	7.7
95.08591	15.1
97.06521	8.7
97.10152	2.5
105.07013	36.5
105.07697	2.7
107.04967	9.7
107.08586	10.8
109.10140	37.1
111.08076	3.1
117.07006	6.2
119.08564	21.1
121.10090	3.0
123.04331	3.1
131.08557	10.9
133.10095	22.0
135.11676	4.7
135.18980	2.2
137.09579	2.9
137.52419	2.2
143.08551	3.0
145.10094	6.9
147.11642	4.3
149.09639	4.7
159.11639	7.3
163.11201	2.5
171.11751	2.5
173.11676	8.9
175.03873	3.0
177.05504	3.3
179.14336	4.5
204.53568	1.9
229.14323	31.4
275.19974	33.0
276.20410	2.4
330.22949	2.0
349.23697	12.3
422.59393	2.0
503.33600	100.0
504.33884	3.2
665.24158	2.3
682.40161	2.9
700.41040	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	701.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84141	1.7
53.03939	13.3
54.85688	1.7
55.01857	7.9
55.05502	38.1
55.31239	1.9
56.03423	1.9
57.03431	16.8
57.07061	3.4
59.10367	2.1
61.02914	16.4
65.03931	5.7
67.05494	71.9
68.91527	2.0
69.03418	40.3
69.07054	22.5
69.47731	20.1
71.01343	2.8
71.04979	13.1
73.02901	13.3
75.04459	2.7
79.05019	3.5
79.05481	70.2
81.03401	65.7
81.07042	68.7
83.04963	24.7
83.08595	14.1
85.02897	28.5
85.06521	6.1
87.04489	2.0
88.98235	1.9
91.03931	8.2
91.05463	66.5
93.07027	59.8
95.04946	25.8
95.08585	44.6
97.02871	33.5
97.06512	5.3
97.10149	4.5
98.21140	8.9
99.04443	10.7
101.02357	4.6
103.05441	4.6
105.06328	4.4
105.07016	61.6
107.04919	11.9
107.08572	32.7
109.02866	11.1
109.06487	8.6
109.10148	17.7
111.04442	4.5
111.08086	4.2
113.02413	2.1
115.05464	5.0
117.06999	30.4
119.04963	2.4
119.08570	40.2
121.06480	9.2
121.10130	20.1
123.08064	6.7
123.11725	3.5
125.09670	3.4
127.03901	14.6
128.06224	8.9
129.05461	8.8
129.06976	32.5
130.07854	2.2
131.04933	4.1
131.07632	4.0
131.08549	41.2
133.06476	4.2
133.10107	27.7
135.08012	5.4
135.11665	11.4
137.09593	3.8
141.06946	15.9
142.07726	4.8
143.08549	32.7
145.06483	8.0
145.10092	31.7
147.08052	4.3
147.11673	22.9
148.71416	1.9
149.09630	3.5
149.13251	6.0
151.11272	2.7
153.06984	4.2
154.07755	4.6
155.08527	28.0
156.09280	4.0
157.06476	3.6
157.10098	27.7
159.08064	4.6
159.11679	22.4
161.09613	4.4
161.13235	8.6
165.06993	4.7
166.07828	4.6
167.07249	2.4
167.08531	13.8
168.09291	4.7
169.10112	32.2
171.08041	2.8
171.11662	29.4
173.04460	21.8
173.09572	3.7
173.13220	10.7
175.11232	3.0
175.14790	3.5
177.12712	3.0
179.08569	8.0
180.09377	4.4
181.10081	20.2
182.10849	3.1
183.11665	25.7
184.08488	2.1
185.09764	2.3
185.13213	15.3
187.11201	3.8
187.14795	4.1
188.12450	2.0
189.12656	5.5
192.09395	1.9
193.10133	10.3
195.11703	16.6
197.13191	18.4
199.06059	2.2
199.11252	3.7
199.14870	7.4
205.09955	2.3
207.11711	10.3
207.13808	5.3
208.12450	2.1
209.13226	17.8
211.11224	2.7
211.14824	7.4
213.12776	2.8
213.16339	3.5
219.11659	5.0
221.13217	7.1
223.14832	11.0
225.12865	2.8
231.11887	2.9
233.13257	4.5
233.15320	3.3
235.14789	5.6
237.12778	2.1
237.16388	6.2
238.42676	2.0
239.18069	2.5
241.19485	3.9
257.19116	4.3
259.20578	6.5
263.17923	3.3
271.17081	3.0
271.20499	3.0
279.15872	2.9
281.17203	9.9
287.20142	2.5
295.20346	3.2
297.16733	2.1
301.21780	3.3
307.20752	2.3
309.22055	3.1
311.20096	2.4
313.21738	3.1
321.21991	5.2
325.21667	3.1
335.23615	3.8
337.21606	2.3
339.23108	3.4
347.23770	3.6
349.25256	4.2
351.23184	2.6
367.22458	6.4
419.33066	3.2
429.31482	3.9
437.34543	2.2
445.30783	2.6
447.32471	19.4
456.94998	2.1
465.33585	8.5
483.34641	4.7
513.35101	2.6
521.36359	12.4
529.38507	4.8
537.35272	3.6
539.37256	100.0
540.37506	6.8
541.39136	2.9
545.36261	3.3
557.38342	9.0
573.50208	2.3
581.38049	4.0
605.38477	2.5
619.39984	2.6
637.40479	2.6
647.39410	9.1
665.40271	5.5
683.41602	10.7
701.42383	72.2
702.42828	8.3
712.96997	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05502	1.0
57.06802	0.6
57.07065	7.7
58.06586	3.1
60.04464	0.4
60.34670	0.4
65.03925	4.7
67.05481	1.3
68.04988	0.4
68.33300	0.4
69.03404	1.3
69.07041	0.6
70.06578	22.3
71.08620	3.1
71.46672	0.8
71.47023	0.6
72.08149	0.8
74.06068	0.5
74.74293	0.4
75.94420	0.4
79.05470	1.2
81.03395	0.6
81.07040	1.2
84.08125	1.5
85.02887	0.4
85.10140	1.2
86.09680	0.9
88.07615	21.4
89.06012	0.5
91.05462	1.1
93.07015	0.7
95.04946	1.1
95.08590	1.0
97.02859	0.4
102.09161	15.3
105.03328	0.6
105.07026	1.0
107.08610	0.6
117.07019	0.4
119.08586	0.4
120.82963	0.4
121.02872	2.0
121.06441	0.5
131.08536	0.6
131.70908	0.4
132.10155	1.9
133.02798	0.6
139.03883	3.2
143.08560	0.6
146.11693	2.1
147.04376	1.1
149.02319	68.2
149.03415	6.2
150.02603	0.7
175.03896	1.5
177.05531	0.5
180.04109	0.4
193.04929	35.6
194.05264	0.8
212.23741	0.8
219.06598	1.4
223.92676	0.5
225.05441	0.7
237.07545	5.6
238.25197	0.4
256.26315	49.9
257.26685	0.9
263.09106	0.6
269.04385	0.9
277.90863	0.4
291.19666	0.6
296.29459	0.5
297.04041	1.5
300.28937	8.1
313.07019	1.3
341.06461	4.8
359.07532	3.0
385.09103	10.7
385.13821	0.7
386.09378	0.5
387.10788	0.6
403.10141	12.0
429.11722	19.3
430.12192	0.7
463.72751	0.4
473.14395	13.7
473.90366	0.4
474.14874	0.6
489.03671	0.4
640.34955	1.5
684.37891	1.9
702.38318	100.0
703.38770	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	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.6
55.01855	4.0
55.05506	16.8
57.03428	11.6
57.07055	2.5
59.04986	3.4
61.02905	3.4
65.03926	3.7
67.05495	100.0
68.05812	2.4
68.57242	1.4
69.03416	7.5
69.07062	13.0
70.06559	1.8
71.04973	5.7
71.08611	1.6
73.02888	2.1
79.05481	36.4
80.05787	1.5
81.03404	15.0
81.07045	42.2
82.07343	1.5
83.04969	6.2
83.08614	10.3
85.02877	5.1
85.06517	3.5
87.25777	1.9
91.04924	3.2
91.05465	47.5
92.05779	2.8
93.07028	40.5
94.07323	2.3
95.04955	8.4
95.08594	27.0
97.02863	6.2
97.06533	3.1
97.10141	4.0
98.20733	3.3
99.04430	1.5
99.08052	1.9
103.05483	2.2
105.06335	2.2
105.07016	38.3
106.07352	3.0
107.04926	4.7
107.08579	22.1
109.06491	4.7
109.10141	65.0
111.08056	4.4
113.06012	2.5
115.05459	1.7
117.07002	11.0
119.08563	36.9
120.08855	1.6
121.06462	3.7
121.10123	14.6
123.08005	1.5
123.11722	2.2
123.80338	1.4
125.09608	2.5
126.57664	1.5
127.03880	1.9
128.06175	2.3
128.07054	1.5
129.06999	9.6
131.08545	17.1
132.09314	1.7
133.10107	28.6
135.08020	4.3
135.11656	9.9
137.09589	5.5
141.06941	3.2
143.08530	10.5
145.10100	17.0
147.08069	2.1
147.11665	21.8
148.12001	3.6
149.02324	4.1
149.09602	2.8
149.13254	5.3
155.08499	2.6
157.10095	6.5
159.11674	12.5
161.09668	2.6
161.13255	14.2
163.11104	2.1
167.08501	2.7
169.10068	4.2
170.10480	1.7
171.11636	9.2
173.04503	2.9
173.11707	18.0
173.13248	7.7
175.14781	5.0
181.10056	2.6
183.11658	3.8
185.13213	6.7
187.11125	1.8
187.14783	2.4
189.11211	2.0
189.16383	1.6
195.11681	2.6
196.12050	1.9
199.14755	2.8
217.19479	1.5
227.12735	8.1
229.14319	71.5
229.62679	1.6
230.14627	2.7
231.21059	4.1
241.19441	18.5
256.26373	2.7
259.20538	50.6
260.20807	2.2
261.22174	2.4
273.18539	2.0
275.20016	2.8
282.17471	1.9
291.19489	5.2
315.23026	3.4
333.24176	40.1
334.24536	2.9
367.22659	1.6
466.34631	2.1
487.34131	17.7
488.34753	1.9
505.35117	19.0
540.37598	10.6
541.35327	2.6
597.14697	1.6
602.84039	2.1
702.42804	10.0
703.40271	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	703.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01864	1.2
55.05500	3.5
57.03421	0.6
57.07083	0.5
65.03936	0.7
67.05497	9.1
69.03415	2.1
69.07057	2.8
70.25813	1.6
71.04967	2.1
78.73716	0.4
79.05479	5.9
81.03412	3.4
81.06598	0.9
81.07044	8.9
83.04930	1.1
83.08604	1.6
85.02892	0.7
85.06516	1.0
87.50283	0.5
91.05463	7.1
93.07034	6.1
94.06572	0.5
95.01321	0.8
95.04981	3.1
95.08582	4.7
97.02869	0.8
97.06522	1.4
97.10159	0.5
99.04445	0.6
105.07020	6.0
107.04934	1.3
107.08573	4.5
109.02863	0.6
109.06491	1.2
109.10136	3.3
111.04423	0.7
115.05449	0.5
117.06989	3.0
117.47785	0.4
119.08563	4.6
120.08005	0.4
121.06482	0.7
121.10112	2.3
122.09708	0.5
123.08071	0.8
123.11638	1.1
125.09634	0.7
127.03911	0.5
128.06206	0.7
129.07004	2.7
131.08560	3.5
133.10110	3.7
135.08032	1.2
135.11690	2.1
137.09570	0.6
141.06990	1.3
142.07758	0.5
143.08574	2.0
144.08044	0.9
145.06529	0.8
145.10104	2.3
147.08040	0.6
147.11679	1.7
149.09642	0.9
149.13264	0.7
151.11165	0.7
155.08533	1.5
157.10094	2.0
159.08084	0.6
159.11705	2.3
161.09616	0.6
161.13266	0.5
163.03824	0.7
165.05499	0.5
167.08499	0.7
169.10107	1.9
171.11699	1.6
172.07567	0.8
173.13216	1.1
175.11232	0.7
181.10127	0.8
183.11658	1.0
184.07401	1.0
185.13312	1.1
187.13235	0.5
187.14774	0.7
193.07419	0.5
193.12312	0.6
193.93784	0.5
195.09186	1.7
195.11888	0.5
195.13828	0.6
196.09929	1.3
197.07082	0.9
197.10716	0.6
197.13316	0.6
199.11320	0.6
199.14804	0.8
207.09125	1.0
208.09898	1.6
209.10712	6.4
209.12852	0.7
210.11476	1.6
211.08701	1.1
212.09438	0.5
221.10707	1.5
222.11296	2.6
223.08757	1.2
223.12302	6.2
224.09465	0.9
224.13042	4.8
225.06612	1.6
225.10475	0.5
225.13840	5.0
227.08272	0.8
229.14355	1.1
232.09828	0.8
235.08752	0.9
235.12309	1.3
236.13087	2.0
237.06856	0.5
237.10329	2.8
237.13849	15.9
238.14595	5.9
239.08130	4.4
239.15482	1.1
250.11053	1.0
251.11800	1.6
252.12642	1.6
253.09758	1.0
253.13400	1.8
255.11269	0.7
259.20660	0.8
263.08142	1.5
265.13339	8.8
265.15860	0.8
266.14133	3.4
267.07605	4.9
267.15067	1.0
269.09265	0.8
271.10806	0.9
273.18451	1.2
281.09204	3.2
282.10208	0.6
285.08737	1.1
291.07501	0.7
291.19559	1.1
297.12341	0.9
299.10260	2.4
309.08694	1.6
313.11847	1.7
323.14056	0.6
325.15555	3.8
326.16547	0.9
333.13406	1.4
341.11307	7.3
342.12372	0.6
347.22229	0.7
356.14102	0.6
391.15814	0.5
393.17261	0.7
405.13120	0.5
417.16977	0.6
418.14481	1.0
420.15692	0.6
421.16394	1.2
431.18933	0.7
433.16724	0.9
434.17679	0.9
435.18323	1.9
435.32751	0.7
444.15674	0.6
447.18387	0.6
449.19693	2.1
459.18210	0.6
460.16620	0.5
463.21313	1.3
474.18240	0.8
475.17972	0.8
476.18503	1.2
477.19153	2.3
478.20508	0.9
484.21948	0.6
491.20831	1.8
492.21881	0.9
493.22357	0.9
505.22076	0.9
505.34796	0.6
506.35742	0.6
507.20663	0.8
508.21310	1.0
509.22003	0.8
519.19989	0.9
522.22742	1.3
523.23511	3.5
527.37152	2.8
528.37939	1.0
533.21582	2.3
534.21985	0.6
535.19434	0.7
537.22388	0.9
541.34552	1.7
547.23383	0.9
549.24286	0.9
550.22327	1.5
551.22845	4.5
565.24561	3.9
566.25275	4.8
575.23151	1.2
576.21436	0.7
579.22284	0.5
593.23950	10.9
593.33575	0.4
594.25128	0.7
603.22375	0.5
607.25372	0.9
611.25085	5.3
611.35675	1.3
621.23389	2.1
625.24554	3.9
635.24652	1.3
653.25977	100.0
654.26447	3.4
667.38013	0.7
685.28748	10.4
685.39838	1.7
692.42419	0.5
703.39227	7.3
732.30695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.6
53.03930	10.8
55.01855	11.4
55.05502	43.4
57.03428	15.3
57.07051	4.9
65.03921	5.8
67.05492	98.2
69.03413	17.8
69.07053	44.3
70.87537	3.4
70.87886	8.2
71.04971	9.3
79.05480	77.7
81.03412	31.0
81.07041	100.0
83.01316	6.7
83.04955	12.5
83.08608	24.6
85.02882	7.7
85.06516	3.5
91.05465	75.1
91.06036	4.2
93.07027	75.4
95.01305	16.3
95.04948	20.5
95.08591	73.0
97.02866	10.6
97.06508	13.3
97.10148	15.6
99.04443	3.5
103.05438	6.0
103.62030	2.9
105.06333	4.3
105.07014	62.8
107.04932	16.3
107.08569	44.7
109.02846	8.5
109.06507	10.6
109.10134	29.2
111.04441	3.9
111.08077	6.6
115.05407	10.0
117.06991	36.3
119.04923	4.1
119.08559	55.0
121.06493	8.6
121.10126	38.1
123.04374	6.8
123.08035	9.3
123.11694	10.8
125.02290	2.8
125.09608	9.1
127.03918	9.2
128.06171	11.8
129.06993	35.8
130.07782	6.5
131.04941	6.8
131.08548	57.5
133.06444	6.1
133.10101	38.4
135.04443	5.0
135.08017	8.9
135.11673	18.5
137.09570	5.3
137.13271	2.8
139.03844	4.9
139.11093	4.1
141.01753	3.3
141.06944	14.4
142.07753	9.3
142.40794	3.1
143.08530	38.4
145.06425	10.4
145.10109	45.8
147.04375	4.1
147.07971	9.8
147.11670	24.8
149.02325	3.4
149.05853	4.9
149.09621	4.5
149.13251	15.8
151.03888	4.2
153.07027	4.9
155.08542	23.4
155.82414	2.8
156.09325	4.3
157.02699	2.6
157.06441	8.7
157.10115	30.4
159.08076	4.9
159.11644	35.7
161.09607	6.6
161.13234	10.3
163.03864	4.5
163.11208	3.4
163.14702	2.8
165.05458	5.2
165.06938	3.5
167.08452	13.6
168.09140	3.1
169.10106	28.3
171.08066	6.4
171.11653	29.7
173.06013	4.2
173.09538	5.4
173.13220	19.9
175.03883	3.5
175.11154	8.0
175.14819	5.2
177.05428	3.2
177.12730	4.3
179.08444	5.5
181.10097	10.5
183.08055	3.7
183.11642	25.5
184.07314	3.5
185.09566	4.3
185.13239	20.2
187.03917	4.4
187.11171	6.8
187.14799	11.2
189.05365	3.9
189.11182	4.3
189.12782	4.5
189.16353	2.8
193.10194	6.1
193.12122	5.4
195.11703	12.9
197.09576	7.7
197.13211	19.1
199.07561	4.0
199.11157	3.4
199.14795	11.5
201.05441	3.1
201.12627	4.5
201.16393	7.1
207.11623	7.2
209.09662	6.6
209.13222	11.6
211.11179	3.0
211.14771	10.1
213.12808	6.5
213.16428	4.4
215.10532	5.6
217.10139	3.5
219.11668	4.6
221.04402	6.2
221.13155	4.8
223.11172	6.6
223.13106	6.4
223.14929	5.9
225.09026	3.6
227.10611	3.5
227.12738	4.0
227.17944	4.9
233.11638	3.3
235.14818	5.6
239.17920	3.6
241.12248	5.0
241.19423	5.1
245.11671	3.3
255.09923	3.2
259.20517	7.5
261.10962	3.7
261.22076	10.1
271.09634	3.5
273.18420	8.1
277.10559	3.8
279.09869	3.2
287.12714	7.7
291.19519	29.4
297.11032	6.6
305.13931	3.7
309.22165	3.7
315.12198	8.0
315.23355	3.8
317.24747	3.9
327.23007	3.3
333.13135	36.5
333.24054	9.6
335.14804	5.1
335.25803	18.0
339.18176	3.5
417.31439	6.7
425.17990	4.9
435.32516	15.7
453.33536	11.5
471.35040	4.0
509.36002	7.7
511.32571	3.5
527.37213	64.9
528.37982	37.2
529.38641	9.1
547.34052	5.1
557.32184	7.1
565.35114	4.9
575.33368	10.8
585.37195	5.0
593.34375	15.0
611.35657	37.3
629.36194	8.5
649.36798	3.2
667.37915	11.8
685.39050	31.9
703.40393	87.4
704.41272	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01847	10.3
55.05276	2.9
55.05504	44.1
57.03426	16.9
57.07048	8.3
65.03928	6.8
67.05141	5.2
67.05493	100.0
68.87830	2.4
69.03407	8.5
69.07052	34.5
71.04957	4.7
71.42922	6.4
73.02869	3.3
77.24561	3.0
79.05025	3.8
79.05483	72.3
80.05787	3.3
81.03390	14.0
81.07044	92.2
83.04948	10.3
83.08610	26.1
85.02877	6.5
85.06515	6.2
91.04929	4.5
91.05466	70.2
93.07030	69.0
95.01292	11.5
95.04964	20.5
95.08595	63.6
97.02881	4.8
97.06508	10.6
97.10159	17.2
98.10494	3.1
98.21152	3.7
101.76418	3.1
103.05431	4.6
105.04490	2.8
105.07017	56.7
107.04924	9.3
107.08578	40.6
109.02837	5.5
109.06493	9.5
109.10143	27.7
111.08065	8.0
113.95612	2.7
115.05434	5.8
117.06994	33.1
119.08577	42.0
121.06455	7.7
121.10124	23.6
123.04374	4.3
123.08046	6.7
123.11658	7.7
125.09605	17.3
126.09932	3.7
127.03903	3.7
128.06180	8.8
129.05479	4.3
129.06995	39.4
130.07765	3.5
131.04857	3.4
131.08548	51.9
133.06488	7.8
133.10118	38.0
135.08076	7.9
135.11649	13.0
137.09589	5.6
141.06978	9.6
142.07703	7.2
143.08525	36.6
145.06490	7.5
145.10117	45.2
147.04399	3.8
147.08031	4.6
147.11664	21.7
149.02348	3.4
149.09604	5.3
149.13210	8.1
151.03842	6.3
151.11150	5.0
154.07722	4.8
155.08524	21.9
156.09326	4.0
157.06401	3.7
157.10104	30.6
159.08080	4.1
159.11664	23.9
161.09563	3.3
161.13240	14.0
163.03874	9.2
163.11197	3.8
165.07036	4.2
165.12698	3.3
167.08524	12.2
169.10094	22.4
171.08026	3.9
171.11652	26.6
173.05940	3.9
173.09651	4.9
173.13162	15.0
175.03918	3.7
175.11154	7.3
175.14822	6.5
177.05373	3.8
179.08542	6.9
181.10049	12.8
183.08119	6.0
183.11656	21.0
184.07249	4.8
185.09644	3.5
185.13191	15.9
187.03835	3.6
187.11145	4.2
187.14763	13.9
189.05460	3.4
189.11147	8.8
193.10103	6.3
195.11705	16.1
195.13489	2.8
197.13287	15.8
199.11099	3.8
199.14819	13.4
201.12665	4.6
203.10692	3.0
207.11655	7.0
209.13225	8.3
211.11145	3.4
211.14780	9.6
213.16357	7.8
217.12161	3.4
221.04417	4.4
221.13225	5.3
223.14766	9.5
225.16328	4.1
227.10594	4.5
227.12703	14.6
227.17894	3.9
228.13057	6.6
233.11743	3.5
237.16306	4.7
239.10707	3.9
239.14432	3.2
241.08453	3.4
241.12262	5.0
245.13760	12.8
246.14191	9.8
259.20532	5.1
261.22147	10.2
269.11630	4.7
273.18289	3.8
275.19778	3.2
287.12781	6.3
289.21390	4.8
291.20041	3.9
297.10764	3.1
305.13834	6.8
315.12372	13.5
315.23029	3.3
317.24597	3.1
333.13214	59.8
333.24191	5.6
335.25790	22.5
336.26123	8.1
351.14462	3.1
353.15509	4.2
417.31241	6.1
425.18005	4.1
427.19394	3.2
435.32547	16.2
453.33368	8.0
475.31473	3.7
506.35376	9.8
509.36005	7.5
527.37268	88.8
528.37946	37.2
529.38641	12.9
547.34033	4.9
557.32318	5.4
575.33179	11.0
593.34442	14.5
611.35461	26.2
629.35999	5.0
667.37750	10.2
685.39252	31.9
703.39685	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.7
55.01848	5.8
55.05499	33.8
57.03430	20.3
58.04876	3.2
61.02914	4.5
65.03906	5.9
67.05493	97.5
69.03419	31.2
69.07056	28.1
71.04974	10.9
76.35191	3.1
76.35639	3.0
79.05481	99.7
81.03406	52.8
81.07039	82.2
83.04970	18.2
83.08608	10.2
85.02905	15.7
85.06503	4.7
86.09692	6.6
89.98438	3.1
91.05463	79.8
91.06035	4.2
93.07024	100.0
95.04948	25.1
95.08589	59.0
97.02860	8.1
97.06531	8.2
97.10149	7.4
98.21491	6.1
99.04449	5.4
99.08050	4.5
105.07009	55.4
107.04940	14.1
107.08559	38.7
109.02819	6.2
109.06483	5.0
109.10141	18.4
117.07002	25.0
119.08554	40.9
121.06468	7.4
121.10135	23.3
123.08044	5.8
123.11647	5.5
127.03903	11.1
128.06224	5.6
129.05478	8.9
129.06989	21.2
131.04967	4.2
131.08560	31.1
133.06433	6.9
133.10094	20.4
135.11682	14.5
137.09608	3.8
137.13245	3.4
141.07016	5.8
143.08559	18.7
145.04984	3.2
145.06447	9.7
145.10066	18.9
147.07982	5.9
147.11641	26.5
155.08534	8.3
157.06465	5.1
157.10072	6.1
159.08170	3.9
159.11726	6.5
161.09666	4.7
161.13237	10.4
163.11168	4.6
169.10089	4.7
171.08057	4.6
171.10394	4.2
171.11577	19.7
173.04465	12.2
173.13229	10.8
174.56572	3.8
175.14851	5.0
181.10112	7.3
184.07289	26.4
185.13179	3.9
189.12759	9.3
203.14200	4.3
207.11841	4.6
207.13795	15.0
230.20889	3.7
235.62079	3.1
259.16959	6.0
261.22195	8.0
279.01917	3.2
281.17520	17.5
287.16306	15.8
335.25769	79.2
336.26141	3.6
425.21667	10.1
541.38776	39.8
555.40009	7.2
583.25262	4.0
583.39758	3.5
685.41718	3.8
703.29773	5.0
703.40204	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	703.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.4
53.03939	12.7
55.01851	5.7
55.05235	2.4
55.05500	30.9
57.03198	1.9
57.03430	22.0
57.07081	3.2
62.70224	2.0
65.03929	7.1
67.05492	90.3
69.03417	30.1
69.07052	22.8
71.04971	7.3
73.06525	2.3
79.05480	100.0
81.03405	53.8
81.07041	81.8
82.07403	1.6
83.04961	20.8
83.08615	11.6
85.02895	17.0
85.06537	4.3
85.23680	1.8
91.05465	75.1
93.07028	94.2
95.04950	31.6
95.08588	65.1
95.09202	3.6
97.02875	13.4
97.06512	7.9
97.10149	5.9
97.17082	1.6
99.04426	5.2
101.02347	2.0
103.03973	2.1
103.05434	2.4
105.04519	4.0
105.07017	48.9
107.04958	11.9
107.08578	34.6
109.02847	6.8
109.06511	8.2
109.10133	16.7
111.04464	2.4
111.08045	1.7
113.02316	1.8
115.05414	4.7
116.06245	1.7
117.06991	23.5
119.08549	34.5
121.06479	7.9
121.10121	22.8
123.04404	2.1
123.08065	6.3
123.11674	5.8
125.09675	2.4
127.03906	10.9
128.06187	7.3
129.05455	5.8
129.06979	24.9
131.04904	3.2
131.08546	24.8
133.06459	7.8
133.10115	24.4
135.08026	5.0
135.11646	13.8
137.09596	4.0
141.06958	4.7
143.08534	18.1
145.06439	9.0
145.10106	17.6
147.08017	5.4
147.11670	24.5
149.09641	2.5
149.13213	6.1
151.07544	2.5
155.08516	5.5
157.10104	5.7
159.08020	3.9
159.11655	7.4
161.09613	5.2
161.13264	11.4
163.14778	2.3
167.08551	3.9
169.10095	3.8
171.08028	4.0
171.11670	20.0
173.04408	7.9
173.09637	1.9
173.13248	7.8
175.14732	3.7
177.12756	2.8
181.10120	3.7
183.11702	2.5
184.07323	2.7
185.09653	2.4
185.13205	2.8
189.12755	8.2
195.11597	2.2
197.13184	2.4
201.16368	1.9
207.13751	17.9
211.14719	2.5
221.13359	2.7
223.14735	4.4
225.14822	5.1
233.13425	2.2
241.15950	4.5
241.19754	2.2
245.15288	2.3
257.15497	2.3
259.16949	5.8
261.22070	8.7
269.15347	7.3
279.15939	3.0
281.17416	19.9
287.16354	16.5
294.25366	1.8
305.17560	3.0
335.25754	82.4
336.26028	3.7
351.17874	3.4
361.20007	4.5
363.25110	3.2
379.20908	3.0
405.26083	2.0
423.04767	1.8
425.21646	7.0
461.29559	1.6
541.38849	56.6
542.39349	3.6
621.40594	2.6
685.42712	4.9
703.43701	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.6
53.03933	7.6
55.01861	6.9
55.05501	28.3
57.03425	10.4
57.07055	4.2
59.04990	2.1
61.02917	1.9
64.41545	1.1
65.03922	5.1
67.05494	86.5
69.03416	26.6
69.07053	23.1
71.01333	2.0
71.04978	48.1
76.40253	1.2
79.05481	61.7
81.03403	35.0
81.07040	100.0
83.04963	14.6
83.08601	14.0
85.02884	8.2
85.06526	8.3
87.04450	2.1
91.05462	86.8
92.11839	1.4
93.07027	57.9
95.01309	5.7
95.04946	25.2
95.08587	37.9
97.02887	7.9
97.06509	9.9
97.10146	5.2
98.20644	2.6
98.60153	1.1
99.04427	5.7
99.08050	3.2
103.05453	3.2
105.04479	2.2
105.07011	60.5
105.07725	3.1
107.04925	15.5
107.08572	33.9
109.02856	7.8
109.06490	10.1
109.10133	17.4
111.04424	5.4
111.08045	3.3
113.05959	2.3
115.05430	5.9
117.07002	31.1
119.04909	2.4
119.07726	2.4
119.08562	35.2
121.02859	1.6
121.06484	7.1
121.10124	17.5
123.04412	2.2
123.08035	4.1
123.11685	10.2
125.09590	3.3
127.03879	2.6
127.07563	1.7
128.06207	8.5
129.05516	1.8
129.06978	25.5
130.07765	2.2
131.04951	2.4
131.08549	34.3
131.09491	1.2
133.06467	7.1
133.10112	38.5
133.15952	1.4
135.04393	2.3
135.08006	9.2
135.11665	12.8
137.05945	3.0
137.09605	2.9
139.03889	2.1
139.07588	1.7
139.11153	1.5
141.06938	9.5
142.07726	5.5
143.08534	23.6
144.09254	1.6
145.06479	6.9
145.10086	26.2
147.04384	2.7
147.08022	5.3
147.11652	21.8
149.09593	6.2
149.13234	10.8
151.07497	2.2
151.11157	10.1
153.05370	1.5
153.06961	4.2
154.07770	3.0
155.08511	13.9
157.06494	4.2
157.10089	20.6
159.08035	6.2
159.11650	22.2
161.09560	4.1
161.13182	7.8
163.07494	1.9
163.11159	3.5
165.06975	3.6
165.09042	2.0
165.12666	2.5
166.07707	3.0
167.08507	7.9
168.09320	1.7
169.06499	2.2
169.10095	14.2
169.12210	1.8
171.07970	6.3
171.11656	16.6
173.04440	2.2
173.09572	5.9
173.13223	9.7
175.11163	6.3
175.14731	1.9
177.12712	5.3
178.07780	1.4
179.08534	5.3
180.09340	2.0
181.06442	1.4
181.10086	10.7
183.08022	4.1
183.11676	12.3
183.13739	4.8
184.08772	1.4
185.09598	5.8
185.13187	7.5
187.11314	2.4
187.13260	10.9
187.14799	3.6
189.12756	3.1
189.16333	1.3
191.10640	1.9
193.10130	5.6
193.12206	3.4
195.08031	2.2
195.11671	8.8
195.13774	4.6
197.09621	5.6
197.11644	1.2
197.13173	8.4
199.11153	4.3
199.14801	5.5
201.09119	1.8
201.12708	3.1
201.14824	4.2
205.10133	2.4
207.11703	4.3
207.13603	1.5
209.09599	4.1
209.13304	6.9
211.11104	3.8
211.13040	2.4
211.14850	3.4
213.12723	5.0
213.14569	1.7
215.10709	2.5
215.14334	2.5
217.15804	2.0
219.11745	2.2
221.13211	5.2
223.11147	3.5
223.14809	3.2
225.12692	4.5
225.14697	2.9
227.14384	2.9
231.13780	1.7
235.14790	3.1
237.12650	2.8
237.16289	3.0
239.14348	2.8
241.12053	1.6
241.19601	2.6
243.15804	1.6
257.17517	4.9
259.20505	5.9
261.22165	1.7
267.15985	1.9
267.21320	1.6
269.17252	2.8
271.20654	2.1
273.18518	1.9
273.21893	1.6
275.20044	4.4
283.20850	2.0
285.18558	1.9
289.21619	1.8
291.19495	2.2
295.20322	2.1
297.21872	1.5
299.20074	3.1
301.20206	2.9
307.15121	1.3
307.20465	3.4
309.22095	2.0
313.21664	4.0
315.23077	6.4
321.22150	3.3
323.23236	1.5
325.21609	2.5
333.13083	2.4
333.21674	1.8
335.25677	2.4
337.21588	2.2
339.18723	1.4
339.23181	5.8
343.22754	2.7
349.21594	10.3
351.23199	7.8
357.24304	2.1
367.22556	12.2
369.24109	3.5
381.24149	1.4
385.23743	6.2
387.25345	1.7
403.24936	1.7
423.25153	3.0
425.26770	1.5
435.32129	1.4
441.26282	8.1
459.27359	4.1
514.45551	1.3
527.37158	5.8
541.34711	1.7
543.35657	1.4
579.36688	1.7
593.36206	1.9
607.39850	2.1
609.37866	3.4
611.37463	1.8
613.39838	1.6
617.38348	1.5
623.38702	2.2
625.40533	3.2
627.39148	2.8
635.39044	5.1
649.39349	1.5
653.40491	7.9
655.42041	2.1
667.41852	13.3
671.41400	11.7
685.42499	10.7
703.43475	30.2
704.42401	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	704.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03710	0.6
53.03930	3.4
55.01863	2.1
55.05500	9.6
56.63983	0.6
57.03432	4.9
57.07059	0.8
59.04971	0.6
61.02913	1.4
65.03923	1.7
66.63206	0.5
67.05494	39.0
68.20131	0.6
69.03413	2.5
69.07058	6.9
70.29114	2.8
71.04979	11.5
73.02910	0.8
73.06520	0.9
76.89561	0.5
79.05483	33.2
79.81252	0.5
81.03397	6.1
81.07045	48.4
82.03736	0.8
82.07376	0.9
83.04974	6.7
83.08611	6.3
85.02890	2.0
85.06516	3.7
86.09705	0.9
91.03917	0.7
91.05466	29.6
92.05770	0.8
93.07030	32.8
94.07346	0.8
95.04953	10.2
95.08593	14.2
96.05312	0.7
97.02877	1.8
97.06512	4.5
97.10155	2.2
98.20908	1.3
98.21465	0.6
99.04435	1.0
99.08048	1.2
103.05432	0.9
105.07012	20.8
106.07317	0.6
107.04940	4.0
107.08575	13.7
109.02834	1.0
109.06511	4.2
109.10133	5.1
110.06827	0.7
111.04437	0.7
111.08085	1.5
113.06010	1.4
115.05453	1.1
117.07006	5.1
119.08562	9.3
121.06481	1.5
121.10122	5.1
123.04460	0.7
123.08050	2.1
123.11675	5.1
125.09576	0.8
127.03870	0.8
128.06221	0.9
129.06969	6.4
131.08554	3.3
133.06535	0.9
133.10109	9.6
135.08023	1.4
135.11665	2.5
139.03860	0.6
143.08574	3.7
145.06496	0.8
145.10091	5.5
147.08011	0.7
147.11665	11.9
149.13242	5.5
151.11180	2.2
156.09280	0.6
157.10161	1.0
159.08037	0.6
159.11674	4.4
161.09578	2.4
161.13246	5.2
163.03967	0.6
169.10106	1.1
169.71231	0.6
171.11676	7.4
173.04472	0.6
177.12755	1.2
182.67448	0.5
183.13766	1.3
184.07324	2.1
187.13297	1.9
189.12730	3.0
195.13803	1.5
207.13766	10.4
213.14787	0.6
220.70982	0.6
225.14880	1.7
251.16405	1.0
257.17490	0.6
269.17471	4.6
273.18488	0.9
274.18829	1.0
275.20068	1.1
281.17419	12.6
291.19522	2.0
292.19849	1.9
301.20050	7.3
341.04959	0.6
403.28082	1.0
440.02887	0.6
445.24582	0.9
449.28940	24.7
457.28943	0.9
463.30478	4.1
475.30502	100.0
476.30759	1.9
507.33133	17.5
508.33453	0.7
542.35474	2.2
543.36517	0.9
619.34772	1.0
651.36847	1.7
686.39478	0.9
704.40417	3.7
705.41595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
53.46603	0.6
55.01866	3.4
55.05235	0.8
55.05500	15.9
57.03426	4.9
57.07064	1.4
59.04985	1.0
61.02913	10.7
65.03928	1.7
67.05495	21.0
69.03421	8.3
69.07058	6.6
71.01337	0.8
71.04984	3.3
73.02914	5.8
79.05482	15.9
81.03403	14.9
81.07044	18.2
83.04962	5.1
83.08605	7.5
85.02890	10.8
85.06528	1.4
91.03951	4.8
91.05460	16.8
93.07032	13.4
93.68645	0.7
95.04955	7.8
95.08589	10.8
97.02883	9.6
97.06518	2.4
97.10152	7.3
97.35829	0.6
99.04431	1.7
101.02358	1.7
103.03941	0.7
105.07012	14.2
107.04917	3.9
107.08572	8.7
109.02856	2.5
109.06496	2.0
109.10142	8.8
111.04440	2.5
111.08054	2.6
115.05450	1.6
117.07005	9.3
119.08561	10.4
121.06479	2.2
121.10108	6.6
123.04407	0.6
123.08046	2.3
123.11668	2.4
125.09605	4.2
127.03882	2.2
128.06186	1.4
129.05453	1.1
129.06979	8.1
131.08549	11.4
133.06459	1.3
133.10123	7.9
135.08022	2.5
135.11661	4.3
137.09590	2.1
141.06963	2.0
142.07733	1.3
143.08557	6.1
145.06468	2.4
145.10110	11.8
147.08034	1.9
147.11676	5.6
149.09561	1.5
149.13237	1.7
151.11241	0.7
153.06985	1.2
153.09041	1.4
153.12733	0.8
155.08549	4.1
157.06476	1.0
157.10101	7.0
159.08040	2.3
159.11659	8.5
161.09572	1.5
161.13234	2.8
163.11223	1.0
163.14806	0.8
167.08551	2.4
168.09317	0.9
169.10132	5.2
171.08044	2.2
171.11679	6.1
173.04497	1.3
173.09642	1.9
173.11807	1.0
173.13220	4.2
175.11171	2.1
175.14778	1.2
179.08546	1.3
181.10120	3.0
181.12209	1.4
183.08113	1.4
183.11629	4.8
185.09666	2.0
185.13231	4.5
187.11179	1.8
187.14819	2.4
189.11192	3.0
189.12689	1.0
193.10313	1.0
193.12239	4.5
195.11687	4.1
195.13306	0.6
197.09554	0.8
197.13232	2.9
199.11153	1.9
199.14783	2.8
201.12770	1.1
205.12421	0.6
207.11661	1.0
209.13272	1.7
211.13260	3.9
211.14757	1.1
213.12733	1.3
213.16383	0.9
215.14319	1.2
221.13153	1.1
223.14819	2.1
227.12648	4.4
229.14278	1.3
233.13301	0.7
233.15427	0.7
235.14793	1.2
239.17973	0.7
241.15982	0.8
241.19513	3.2
243.15843	1.2
247.14688	0.8
249.16393	0.9
257.19061	0.9
259.20523	4.0
265.19543	0.7
267.15964	2.7
275.19983	1.1
283.20575	1.5
284.82742	0.6
285.16965	1.9
297.18689	0.7
297.22119	1.6
299.20248	1.2
299.23529	4.5
301.21625	1.2
309.22345	0.7
311.20172	0.9
313.21597	1.9
315.23276	0.9
325.21521	1.2
329.21378	0.8
333.24170	1.9
339.23187	0.7
357.24353	1.2
367.22614	1.1
371.25571	1.0
385.23645	0.8
403.24734	1.1
415.30194	0.7
421.25925	1.8
429.20917	1.4
433.31076	5.4
435.27213	1.4
441.91791	0.7
451.31982	6.5
469.33264	3.6
507.34927	1.5
515.37134	1.6
525.35730	15.3
541.34705	1.5
543.36737	100.0
544.37140	5.6
555.37170	0.9
559.35101	0.9
567.36548	1.2
585.37604	2.7
609.38214	1.2
633.37799	0.8
648.81372	0.7
651.38684	3.7
669.39142	3.2
687.41089	4.7
705.32355	1.7
705.42261	12.4
706.31293	1.1
706.42133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
53.04170	1.1
55.01870	6.1
55.05503	20.3
57.03425	8.7
57.07043	1.2
59.04965	1.3
60.04497	1.9
61.02913	12.5
65.03931	1.2
65.83721	1.2
67.05493	38.5
68.71225	0.9
68.84344	1.1
69.03416	12.9
69.07048	12.6
69.73704	1.2
69.94772	1.0
71.04980	7.0
71.69585	1.7
71.69954	1.4
73.02900	6.9
79.05478	28.6
81.03403	23.5
81.07040	36.3
83.04969	8.6
83.08602	10.5
85.02891	15.9
85.06514	3.4
86.09686	2.1
91.03946	5.6
91.04916	1.9
91.05461	28.2
91.06028	1.7
93.07024	27.9
95.04949	10.2
95.07999	1.5
95.08588	19.2
97.02868	16.5
97.06523	6.1
97.10154	10.0
99.04433	3.0
101.02345	1.7
103.05395	1.2
105.07010	27.0
107.04944	6.9
107.08578	17.2
109.02862	4.8
109.06494	4.8
109.10130	10.6
111.04415	3.4
111.08067	4.4
115.05415	1.2
117.07005	13.5
119.08557	20.8
121.06462	3.4
121.10133	10.0
123.04411	1.3
123.08038	3.2
123.11681	2.9
124.99998	2.0
125.09599	5.8
127.03884	4.5
128.06198	3.3
129.05467	1.4
129.06972	10.7
130.07736	1.2
131.08540	19.6
133.06445	3.9
133.10114	13.8
135.08046	3.9
135.11653	7.1
137.09593	2.2
137.80482	1.1
141.06966	4.3
142.07735	1.9
143.08548	9.7
145.06422	2.6
145.10100	15.0
147.08009	2.7
147.11652	12.1
149.09610	3.8
149.13245	4.4
151.11026	1.2
155.08551	7.1
157.10091	10.6
159.07983	3.2
159.11703	10.8
161.09610	2.4
161.13216	3.8
163.11154	3.0
165.06943	1.5
167.08563	3.3
169.10117	7.5
171.07991	1.5
171.11655	9.5
173.04506	1.6
173.09592	3.2
173.11868	1.5
173.13120	5.4
175.11125	3.1
175.14804	1.5
177.12689	2.1
179.08447	1.7
181.10104	3.9
181.12199	1.3
183.11708	7.4
184.07315	7.4
184.12015	1.0
185.09621	2.3
185.13179	7.2
187.11140	3.0
187.14789	3.3
189.11160	2.3
189.12695	1.8
191.14346	1.3
193.10202	1.2
193.12219	3.7
195.11618	3.5
197.13223	3.4
199.11134	2.4
199.14780	2.7
201.12720	2.5
207.11800	1.4
209.09645	1.5
209.13280	2.4
211.11461	1.2
211.13155	5.6
213.12740	1.6
213.16302	1.8
214.13692	1.1
217.81854	1.2
219.13802	1.1
221.13277	2.3
223.14778	2.7
227.12592	5.5
239.17924	1.4
241.19641	1.9
243.15860	1.5
257.18863	2.5
259.20468	6.1
267.15903	2.2
269.17419	2.4
271.20490	1.5
275.20114	6.0
285.16937	2.5
297.22192	2.1
299.20511	1.4
299.23672	4.8
301.21539	1.9
301.49249	1.1
313.21667	1.8
315.23071	2.7
333.24127	3.3
339.23376	2.1
345.23932	1.2
349.24026	1.8
351.23138	1.5
357.24130	2.5
366.64648	1.1
367.22516	1.8
398.36252	6.9
423.32263	2.4
433.30716	4.3
435.27652	2.0
451.32120	8.4
469.32944	4.3
515.37085	2.4
525.35687	17.9
526.35797	1.4
535.25214	1.4
541.35193	2.1
543.36707	100.0
544.36957	5.0
585.37793	2.0
609.36469	1.4
651.38672	3.1
669.39697	3.3
687.40875	9.0
705.42169	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
53.03927	4.1
53.79820	0.9
55.01864	6.2
55.05501	21.9
57.03428	8.4
57.07059	1.1
59.05000	2.0
61.02913	13.5
64.53066	0.9
65.03921	1.9
67.05494	39.3
69.03422	14.0
69.07052	12.8
70.73277	1.6
70.73640	2.0
70.93371	0.9
71.01335	1.6
71.04992	4.8
73.02905	6.3
79.05476	28.9
80.05798	0.8
81.03405	13.8
81.07040	38.7
83.04969	7.0
83.08604	12.8
85.02888	12.9
85.06532	2.3
88.75035	0.8
91.03944	6.0
91.05463	27.9
93.07027	24.5
95.04948	9.4
95.08588	19.0
97.02871	11.3
97.06517	6.2
97.10143	13.0
98.20767	0.9
99.04423	2.1
99.08091	1.1
101.02361	2.5
101.92155	0.9
103.05437	1.5
105.07014	22.0
107.04921	8.3
107.08595	14.9
109.02865	3.3
109.06460	4.7
109.10140	10.3
111.04420	2.4
111.08064	3.7
115.05395	2.2
117.06992	15.8
117.07783	1.3
119.04964	0.9
119.08556	19.0
121.06474	5.1
121.10117	8.7
123.04447	1.4
123.08056	4.4
123.11659	4.4
125.09615	9.4
127.03889	4.0
128.06213	3.4
129.05502	1.7
129.06984	11.2
130.07764	1.3
131.04889	1.7
131.08543	19.9
133.06467	2.6
133.10100	14.7
135.08035	7.1
135.11671	6.6
137.05986	0.9
137.09573	1.7
139.11122	1.4
141.06966	4.0
142.07704	1.9
143.08546	10.2
145.05019	1.4
145.06477	4.6
145.10106	17.2
147.08020	3.4
147.11708	6.2
149.09615	4.7
149.10638	1.0
149.13216	2.9
150.91197	0.9
151.11194	2.1
153.09076	2.8
154.07735	1.2
155.08499	8.4
156.09206	1.0
157.06407	1.5
157.10117	10.4
159.07994	4.1
159.11674	13.0
161.05940	1.1
161.09598	2.6
161.13173	4.8
163.07547	1.1
163.11169	3.5
165.06931	1.2
165.12714	1.1
167.08548	2.4
168.09258	1.2
169.10121	7.6
171.07996	2.2
171.11603	10.2
173.04523	1.9
173.09621	2.6
173.13245	6.5
175.11185	1.5
175.14772	1.8
177.12663	2.1
179.08556	1.9
181.10103	4.3
183.11665	7.6
185.09668	2.9
185.13271	5.7
187.11188	3.0
187.13205	1.3
187.14807	3.3
189.11163	5.1
189.12718	1.7
193.10106	1.4
193.12183	1.8
195.11674	5.9
197.09569	1.9
197.13254	4.8
199.11090	1.6
199.14799	2.9
201.09027	0.9
201.12653	2.5
201.16403	1.3
207.11696	2.3
208.12260	1.1
209.13210	3.0
211.11243	1.2
211.14781	2.7
213.12784	1.6
213.16368	1.5
215.14452	1.1
219.11647	1.8
219.17406	0.9
219.98265	0.9
221.13306	2.0
223.11276	1.2
223.14830	2.1
225.12601	1.0
225.16360	1.4
227.12617	5.6
227.17917	1.2
229.14174	1.1
231.13779	1.8
237.16312	1.2
239.18066	1.6
243.15886	1.8
247.16920	1.3
249.16319	1.0
257.18997	1.5
259.20551	0.9
267.15799	1.7
269.17343	1.4
273.18573	1.6
275.20090	6.5
276.08069	1.0
283.20398	2.8
293.21024	1.4
297.18546	1.2
297.22000	1.3
299.20297	1.8
299.23679	7.9
301.21484	2.1
309.22241	1.0
311.20001	2.0
313.21832	1.3
325.21396	1.6
329.20966	2.1
333.24023	1.0
337.21649	1.1
339.23199	1.8
349.23773	4.3
357.24298	1.4
403.24612	1.5
415.29675	2.0
417.26227	1.1
421.25830	5.0
431.27792	1.2
433.31100	5.2
435.27399	4.5
451.32224	8.7
469.32919	2.7
475.25848	1.1
507.34338	1.7
525.28290	1.6
525.35669	23.5
526.35718	1.6
532.58447	1.0
535.34583	0.9
541.35077	1.4
543.36725	100.0
544.37360	6.2
555.36761	1.7
582.35449	1.0
585.37970	1.1
651.38428	2.5
669.39575	2.5
687.40784	5.8
705.41583	13.6
706.41382	1.1
720.99933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01842	0.6
57.99886	0.2
61.50571	0.2
65.03911	0.2
66.77460	0.2
67.05492	1.3
69.03390	0.6
69.07047	1.4
70.19301	0.9
78.79794	0.2
79.05479	11.6
81.03406	6.8
81.07013	0.7
83.04941	0.2
91.05467	3.4
93.03328	0.2
93.06514	0.2
93.07023	2.5
95.01300	0.3
95.04398	0.4
95.04951	5.0
95.08549	0.3
97.06491	0.7
98.12071	0.2
103.05428	0.3
105.07001	3.2
107.04890	0.7
107.08573	9.4
109.06473	0.4
115.05393	0.3
117.06982	1.5
119.04912	0.3
119.08551	2.4
119.11901	0.2
121.02843	2.3
121.06485	5.0
123.08090	0.3
128.06180	0.4
129.06979	0.9
131.04839	0.4
131.08540	1.9
133.06468	1.0
133.10104	4.5
137.05930	0.4
141.06891	0.5
143.08542	3.3
145.06464	1.9
145.10104	1.9
147.04333	0.9
147.08022	0.9
149.05954	2.6
149.87488	0.2
151.07550	1.3
153.06917	0.3
155.08524	1.1
157.06459	0.5
157.10081	2.8
159.08038	3.9
159.11626	1.0
160.08377	0.4
161.05952	13.9
161.09586	23.0
162.06279	0.3
162.09917	0.7
165.06963	0.5
167.07152	0.4
167.08496	2.9
168.09172	0.2
169.06439	0.6
169.10074	1.5
171.08034	1.9
171.11673	0.3
173.09567	1.0
175.07516	0.7
175.11105	0.4
177.09106	1.2
178.07753	0.2
179.08519	0.4
181.10033	0.7
182.10852	0.3
183.08063	1.1
183.11601	0.9
185.05933	0.3
185.09575	4.4
187.07466	0.4
187.11139	0.8
192.09306	0.4
193.10033	0.7
195.08015	0.8
197.09586	0.6
197.13202	1.0
199.07538	0.4
199.11203	0.4
202.07582	0.3
203.10594	1.3
205.08521	0.6
207.11668	2.0
209.09595	0.7
209.13133	0.5
211.07428	0.4
211.11131	2.2
213.09071	0.6
217.08411	0.4
217.10213	0.5
219.11467	0.3
220.08713	0.3
223.11147	0.3
225.12711	5.2
226.13138	0.3
227.10680	0.5
227.14264	0.8
231.10132	1.5
235.11128	4.5
236.11671	0.4
237.09006	0.5
237.12700	3.1
238.13086	0.3
243.13779	0.3
249.11189	5.0
253.12187	5.5
255.13750	1.8
263.10693	0.4
271.13239	12.5
272.13586	0.7
277.10809	0.4
281.11642	5.4
295.11679	0.7
299.12735	17.9
300.13080	0.9
317.13779	82.3
318.14130	4.1
345.13269	4.1
362.15906	100.0
363.16251	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	706.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.45732	0.7
55.01862	2.3
55.05494	2.8
57.03428	1.6
57.07051	1.1
61.02916	1.0
67.05505	4.0
69.03419	3.6
69.07053	3.6
70.06576	2.2
71.04984	1.7
71.69154	0.6
73.02934	0.9
79.05482	12.3
81.03409	9.3
81.07041	7.2
83.04974	1.2
83.08613	1.5
84.08105	1.4
85.02888	10.8
85.06525	3.5
87.00812	2.7
87.22041	0.7
89.61468	0.7
91.05460	6.1
93.07027	7.9
95.04943	6.8
95.08587	7.6
97.02872	4.6
97.06532	1.9
97.10178	1.2
99.04475	1.7
99.08067	0.6
103.05444	1.0
105.01846	3.7
105.07024	8.3
107.04931	1.4
107.08573	15.3
109.02878	3.9
109.06498	1.4
109.10126	5.4
111.04458	1.0
113.09666	1.5
115.03972	1.1
117.06985	1.7
119.08549	6.3
121.02853	1.0
121.06468	4.6
121.10147	8.9
123.08077	1.6
123.11704	5.0
125.09524	1.0
127.03883	5.4
129.06990	1.8
131.08527	4.6
133.06474	1.1
133.10106	10.7
135.08145	1.0
135.11662	7.3
137.05936	1.5
137.09625	1.2
139.03902	1.0
139.11143	1.0
141.98112	0.8
143.08513	2.4
145.04922	3.0
145.06453	1.5
145.10086	5.8
147.08046	1.0
147.11649	4.2
149.05963	1.1
149.09518	0.8
149.13237	1.7
151.07542	1.7
151.97729	0.8
155.08553	1.4
155.10692	1.2
157.10086	3.1
159.02884	1.9
159.08049	2.2
159.11690	3.9
161.05942	9.2
161.09590	14.1
161.13275	1.5
163.11217	2.6
163.14821	1.5
165.09102	2.2
166.09395	1.0
167.08498	1.9
169.10121	0.9
171.08083	1.3
171.11624	1.5
173.09633	1.1
173.13200	7.1
175.11220	1.4
175.14778	2.6
179.10605	1.0
179.14592	0.9
185.09669	1.8
185.13087	0.8
187.11232	1.3
187.14818	4.7
195.08092	1.1
201.16356	2.0
203.10576	1.3
203.17886	3.6
207.11642	1.4
211.11256	1.5
225.12700	3.4
231.04968	1.8
235.11174	3.8
237.12811	1.5
243.20969	7.1
249.11140	2.4
253.12158	5.1
255.13821	1.4
259.20480	1.0
261.22089	11.6
267.15884	1.0
271.13245	8.4
278.05365	0.8
281.11575	3.9
299.12717	12.2
300.13049	0.9
317.13788	48.9
318.14017	2.2
320.96338	0.9
345.13089	1.3
362.15921	100.0
363.16187	3.3
413.00174	0.9
473.25119	1.7
477.27838	0.9
491.26495	1.7
509.27213	1.0
622.09430	0.9
624.57117	0.8
706.40112	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01857	4.2
55.05495	12.8
57.03421	5.4
57.07060	5.3
59.04985	2.1
61.02640	1.1
61.02917	6.4
65.03915	2.1
67.05494	17.1
69.03422	22.6
69.07051	15.8
70.06575	2.8
70.45576	5.5
70.60845	1.1
71.04977	8.1
72.08130	1.5
73.02908	4.9
79.05482	12.6
79.94275	1.2
80.04999	1.2
81.03406	18.5
81.07047	31.5
83.04975	2.9
83.08606	11.8
84.08113	2.4
85.02893	55.5
85.06535	19.2
87.00819	11.9
87.04455	2.1
91.03919	2.2
91.05470	12.9
92.44261	1.3
92.64054	1.2
93.06437	1.5
93.07030	31.8
95.04952	9.0
95.08594	40.3
97.02876	21.8
97.06522	1.9
97.10162	4.2
99.04430	9.2
99.08073	4.7
105.01849	11.6
105.07014	23.9
107.04924	2.0
107.08576	41.9
108.08834	1.1
109.02865	14.8
109.06515	4.4
109.10141	31.6
111.08035	1.7
113.09636	15.4
115.03883	2.0
117.06994	3.9
119.08555	33.1
120.08096	1.5
121.10130	54.2
122.10436	1.3
123.04433	1.8
123.08033	3.5
123.11692	26.2
124.03873	1.7
125.09609	4.0
127.03894	25.7
128.06215	1.8
129.06966	1.6
130.07858	1.6
131.08537	13.0
133.10110	65.7
135.08023	2.5
135.11674	49.3
136.07515	1.6
137.05957	1.3
137.09607	4.1
137.13266	2.9
139.11186	6.6
141.12695	1.5
143.08539	3.5
145.04955	12.0
145.10097	25.9
147.04385	1.8
147.08058	1.9
147.11667	26.2
147.12848	1.5
149.09602	1.5
149.13243	10.6
151.03891	1.4
151.07585	2.1
151.11174	5.6
153.12767	2.2
155.10608	5.7
157.10117	5.9
158.10854	2.3
159.02890	5.0
159.11674	32.2
161.09613	1.7
161.13251	15.5
163.11220	2.2
163.14816	8.3
165.09114	3.0
165.12794	2.2
171.11674	2.2
171.32848	1.2
172.12476	1.5
173.13237	56.5
174.13745	1.9
175.14813	19.1
177.05429	1.9
177.12721	1.7
177.16376	4.8
185.13220	3.4
187.14792	38.5
189.16388	2.7
191.10558	1.6
191.17950	1.8
193.15813	2.2
197.13269	1.6
199.14871	3.3
201.16348	15.7
203.17921	27.0
205.15822	7.5
212.16438	1.4
215.17912	2.1
225.16414	1.8
231.04776	6.1
241.19566	1.7
243.21051	65.9
244.21391	1.8
245.22656	2.5
249.06042	2.3
253.19391	1.5
255.21001	1.5
259.20612	2.5
261.22110	100.0
262.22473	3.3
265.14395	1.4
271.10666	1.7
273.22159	2.6
275.14966	2.6
279.23111	4.4
285.22067	3.0
287.10132	1.9
291.23450	1.6
313.17566	1.4
353.79382	1.2
387.25385	4.1
399.10745	3.5
405.26273	3.8
423.27335	3.6
473.25323	2.9
491.26111	1.7
509.27405	2.5
706.20856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.7
55.05500	12.0
57.03423	11.8
61.13416	0.9
62.64717	0.8
65.03919	1.4
67.05495	16.3
69.03417	5.0
69.07049	5.2
69.98189	4.1
71.04980	4.2
79.05477	19.4
80.05789	0.8
81.03402	82.4
81.07040	20.8
83.04964	9.0
83.08603	20.8
85.02888	12.8
85.06519	1.5
91.04951	0.8
91.05459	27.6
93.07034	12.4
95.04950	28.8
95.08598	9.0
97.02873	4.8
97.06522	2.7
97.10152	6.2
98.20998	1.7
99.04414	1.2
100.95750	0.9
103.05425	1.0
105.07008	20.7
107.04939	8.3
107.08567	7.5
109.02809	1.1
109.06516	5.1
109.10130	4.6
111.04429	2.8
111.08058	8.8
113.06001	1.5
113.25578	0.7
114.41678	0.8
115.05442	1.8
117.07009	2.6
119.04917	1.0
119.08567	13.8
121.06476	3.9
121.10118	9.5
123.04415	1.5
123.08070	3.9
123.11668	1.1
125.09625	3.1
127.03934	1.8
129.06982	11.3
131.08548	11.7
133.06480	4.5
133.10103	9.9
135.08040	1.4
135.11699	1.6
137.05943	1.2
137.09607	2.8
142.07765	4.0
143.08540	1.9
145.06464	3.9
145.10075	3.5
147.08031	5.4
147.11671	12.8
149.09575	6.5
155.08493	2.2
157.06407	0.9
157.10097	13.3
159.08009	0.9
159.11769	1.0
161.05981	1.0
161.09625	1.1
163.11183	2.5
165.09065	4.2
165.12770	1.8
166.09457	1.1
169.10141	1.3
171.08110	1.3
171.11679	1.2
175.11137	11.7
187.11118	1.0
189.11156	1.4
189.12711	1.3
193.12213	32.2
193.14001	1.6
194.12555	1.2
195.11751	1.1
197.13322	1.2
199.11177	0.8
205.12151	1.5
211.11261	1.2
211.13254	18.4
211.15160	1.2
227.10646	1.0
227.12685	1.6
229.14220	1.1
233.15385	1.7
249.14851	2.1
255.13795	1.7
267.15866	100.0
268.16168	2.4
273.14838	3.1
285.16907	17.4
286.17435	0.9
309.16992	1.2
339.23077	1.3
349.21497	2.4
367.22626	8.8
385.23666	12.6
403.24762	2.6
433.10825	0.8
433.25739	12.7
441.26505	6.6
459.27362	65.0
460.27789	3.2
465.36069	1.1
477.28397	41.0
478.28619	1.9
502.41339	0.9
564.97992	0.9
585.30322	1.1
706.41107	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	706.464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.05019	0.7
57.03417	0.2
57.07044	0.4
58.06613	0.4
59.07375	0.1
60.08153	6.5
66.25808	0.1
67.05492	0.8
69.03402	0.2
69.07057	0.2
70.06586	0.1
70.77483	0.1
70.88158	0.3
71.07360	3.4
71.08615	0.1
74.12930	0.1
79.05475	0.4
80.05798	0.1
80.97415	0.1
81.03400	0.5
81.07056	0.6
82.54491	0.1
83.04946	0.2
83.08591	0.3
86.09692	31.7
87.04449	0.7
87.10003	0.2
88.49037	0.1
91.05464	0.5
93.07022	0.4
95.04955	0.2
95.08585	0.5
97.39638	0.1
98.98452	3.2
104.10725	2.5
104.91304	0.1
105.07023	0.2
107.08566	0.2
109.10152	0.2
111.04409	0.1
117.07006	0.1
119.08601	0.2
121.10103	0.2
123.05697	0.1
124.99982	21.0
131.08537	0.2
135.11630	0.1
143.01048	0.5
145.10107	0.2
157.10112	0.2
157.61551	0.1
164.39409	0.1
166.02660	0.3
184.07314	100.0
185.07666	0.7
335.25879	0.1
359.34924	0.1
450.22400	0.1
496.34183	0.2
706.46576	5.3
707.47125	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	707.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30137	0.3
52.44211	0.4
57.03423	0.4
69.03429	0.6
69.49763	0.6
69.50169	3.1
70.23357	0.3
82.99883	1.0
85.02872	1.3
90.95172	0.4
97.02879	0.7
98.97577	0.8
101.00826	2.5
109.02847	0.9
116.98662	0.4
117.84839	0.3
119.01077	0.7
119.01901	11.3
127.02418	0.5
127.03876	1.0
130.18643	0.4
131.01891	5.4
131.52028	0.6
133.03421	0.5
137.01881	1.4
137.02928	2.2
139.02423	0.6
143.01874	11.1
145.03455	5.6
147.01393	0.9
149.01941	0.5
149.02980	0.8
152.02380	0.9
155.01859	7.0
157.03464	3.1
161.02930	18.5
162.03026	0.6
163.04420	0.8
167.01857	3.6
169.03438	2.1
171.05040	2.6
173.02936	18.0
173.53134	0.5
174.03152	0.6
174.74040	0.4
174.98979	0.4
175.04474	1.5
177.00551	0.4
179.01804	2.3
181.03490	0.4
182.03391	0.5
184.04558	1.0
185.02928	33.2
186.03102	1.3
187.04509	3.2
191.03987	1.3
196.04617	0.4
197.02922	11.9
198.03140	0.6
199.04504	0.8
202.04073	0.5
203.03969	10.9
203.05872	0.5
203.54126	0.7
204.04155	0.4
205.05698	0.4
208.04536	1.0
209.02884	1.1
211.04510	0.5
215.03969	9.3
219.38275	0.4
221.03075	0.5
221.05061	1.2
227.03972	8.2
237.02612	0.5
239.04047	1.0
245.05031	100.0
246.05232	4.5
247.04651	0.5
254.05569	0.4
257.05008	5.6
261.02710	0.4
263.06079	12.7
264.06342	0.6
274.06204	0.6
275.06064	12.2
281.56924	0.4
283.06772	1.7
283.56790	0.9
284.06644	1.5
284.56702	0.5
286.07687	1.4
290.80740	0.4
293.07092	3.4
299.05991	0.4
305.07111	10.6
306.07413	0.5
335.08267	3.0
347.08102	0.6
364.09482	1.1
364.59506	1.6
365.09262	40.8
366.09418	1.6
383.10370	2.4
406.11755	1.1
407.10428	1.0
425.11340	35.1
426.11612	2.1
437.11298	2.1
455.12292	1.4
485.13492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14442	0.3
69.49793	3.0
69.50143	0.5
75.46263	0.3
81.03384	0.4
82.99869	1.0
85.02888	0.4
94.99793	0.5
97.02866	0.5
98.20702	0.5
101.00851	3.2
110.01385	0.4
113.00867	0.5
119.01897	10.5
120.01934	0.3
122.01352	1.1
122.51373	0.4
127.02431	0.7
128.01295	0.4
131.01886	6.1
131.51978	0.4
137.01874	1.7
137.02924	1.5
139.02336	0.4
143.01875	13.9
144.02126	0.4
145.03439	6.2
146.02386	0.3
147.01332	0.9
149.01872	0.6
152.02402	1.0
155.01855	7.6
157.03474	3.5
158.02409	0.6
161.02940	16.1
162.03062	0.8
163.04480	1.1
164.02443	0.6
167.01871	4.6
169.03416	1.9
171.05055	1.9
173.02933	15.0
173.52988	0.6
174.03004	0.6
175.04489	1.4
179.01782	2.0
181.03465	0.5
182.03436	0.4
185.02933	31.1
186.03067	1.7
187.04530	3.4
191.04013	1.0
194.03310	0.5
196.04564	0.6
197.02937	13.0
198.03004	0.6
199.04482	0.7
203.03973	11.6
203.54045	1.0
204.04111	0.6
208.04564	0.6
209.02957	1.1
215.01944	0.5
215.03979	9.0
216.04245	0.4
219.64983	0.3
221.05009	0.8
224.04521	0.5
227.03960	8.2
227.06030	0.6
233.05176	0.4
239.04085	1.0
245.05031	100.0
246.05249	5.8
254.05412	0.7
257.05014	5.5
263.06076	13.9
264.06259	0.7
275.06064	11.0
276.06351	0.9
284.06583	2.9
286.07632	0.7
287.06076	0.5
293.07153	3.4
305.07126	11.4
306.07346	1.0
317.07144	0.6
323.08517	0.3
335.08066	3.8
347.08163	1.3
362.27966	0.3
364.59677	0.4
365.09225	41.3
366.09500	3.6
383.10321	3.1
406.11832	0.5
407.10019	0.6
425.11334	35.0
426.11572	3.7
437.11334	2.4
455.12604	1.6
485.13617	0.5
699.79901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92935	0.7
55.01854	1.0
55.05485	0.8
65.03921	0.9
67.05477	2.2
69.03408	1.4
69.91699	2.9
69.92112	1.7
70.06581	1.5
71.04970	1.5
79.05473	1.9
81.03391	1.0
81.07034	1.8
85.02897	3.7
91.05466	2.2
93.07024	4.0
94.06541	3.5
95.04953	2.1
95.07326	3.6
95.08595	1.9
95.36169	0.8
96.08125	7.0
97.02891	1.4
97.06497	1.0
98.20744	1.0
105.07004	1.2
107.08595	1.9
108.08109	7.0
109.02863	1.4
109.06496	1.0
109.10125	2.2
110.09659	10.9
119.08583	0.7
120.08096	6.6
121.06486	0.8
122.06049	4.1
122.06831	0.8
122.09660	0.8
123.06829	0.8
123.11693	1.2
124.07568	0.9
127.03864	1.0
129.05464	0.9
135.07973	0.9
136.07553	5.3
137.06009	1.0
137.09599	3.0
138.09129	11.9
143.13539	0.8
145.10120	0.9
147.04353	1.0
147.11687	1.0
148.07558	3.4
149.09564	1.1
150.09094	0.9
151.07501	1.0
157.10068	1.1
163.15678	0.8
165.09117	12.8
166.08604	11.6
194.08287	1.0
204.06569	1.3
209.10611	1.1
211.08682	1.2
212.09315	0.9
223.12321	2.0
225.10211	2.2
227.11818	1.1
235.08633	3.4
236.09393	3.0
237.10194	14.9
238.10956	1.4
239.11745	2.3
241.09651	1.0
247.08701	0.9
248.09404	1.2
249.10201	20.0
250.07361	1.2
250.11018	3.9
251.08208	1.0
251.09299	0.8
251.11728	7.2
252.08922	1.0
253.09660	3.2
253.19348	1.2
255.11320	1.5
259.10742	1.3
261.10086	1.9
263.08105	2.3
263.11768	2.4
264.08896	6.5
265.09720	14.4
266.10464	3.3
267.11191	6.1
269.09259	1.0
271.10544	1.1
276.08792	1.3
277.09683	14.4
278.10437	6.3
279.11230	12.4
280.11990	2.9
281.09204	4.0
281.12701	2.5
282.09903	1.4
283.10818	1.9
285.12384	0.8
287.10132	2.8
289.09470	1.0
291.07745	1.3
291.11215	2.6
292.08420	1.3
292.11862	1.9
293.05820	1.3
293.09161	23.7
293.12738	7.4
294.09680	2.8
295.10693	4.2
297.08673	1.1
297.12360	1.4
304.08395	1.7
305.09048	6.4
306.09906	3.4
307.10696	7.7
308.11325	0.9
309.08640	3.0
309.12283	5.6
310.13098	1.2
311.10336	2.4
311.14001	1.2
312.11060	2.3
313.11902	2.0
314.69995	0.9
319.10748	4.2
321.08820	1.1
321.12445	1.6
323.10175	3.7
324.10873	3.5
325.11884	5.4
326.12674	1.4
327.13376	5.3
328.14508	1.3
333.08493	3.7
333.14420	1.0
335.10281	0.9
337.11856	7.0
338.12622	2.1
339.09763	0.7
339.13382	14.9
340.14011	2.6
341.11276	1.8
342.12296	1.7
351.09714	14.7
353.11191	2.5
353.15186	1.5
354.12137	1.1
354.16159	1.1
355.08859	1.2
355.12976	3.5
356.13809	3.7
357.14703	1.4
358.15372	1.4
359.15826	1.6
365.11246	5.2
366.12137	2.3
367.12946	1.1
369.10477	1.2
369.14688	1.9
370.11542	2.8
370.15619	1.7
370.40201	0.9
371.12238	3.0
371.16171	1.0
372.17136	1.6
374.14999	1.1
382.11554	3.6
382.15704	1.1
383.12253	4.9
384.13080	4.1
385.13766	6.7
386.14670	1.8
387.15619	1.6
388.16681	1.0
397.08844	1.3
397.13895	20.4
398.14636	4.1
399.10962	1.2
399.15704	1.9
400.16458	1.6
404.15543	1.3
414.18661	1.1
416.15833	2.1
418.17624	6.3
426.14639	1.8
427.10144	1.8
428.16000	1.8
442.17737	1.5
444.15207	2.1
446.16983	6.5
454.13828	5.2
458.16837	1.3
460.18527	2.7
472.14810	15.3
474.15765	1.9
478.19592	4.1
486.16281	1.3
490.19623	2.4
492.17169	7.7
504.17575	6.4
518.19250	8.4
519.19891	1.3
522.22559	1.3
524.23987	9.9
536.20081	3.6
550.21790	100.0
551.22534	47.3
551.30048	1.0
552.22656	2.8
568.22845	34.3
569.23029	1.9
607.21582	2.0
611.24524	1.4
625.22894	6.1
639.24585	5.4
657.25507	20.6
658.25323	1.6
675.26477	5.6
707.29169	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	707.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38895	0.8
55.05511	1.1
58.79322	0.8
67.05491	1.9
69.07063	1.2
70.02886	5.2
79.05466	1.9
81.03389	1.9
81.07029	1.9
87.04460	1.7
88.31145	0.9
90.17560	0.8
91.05477	2.5
93.07040	1.5
95.04960	1.0
95.08585	1.5
98.20854	1.3
105.07018	1.4
107.08608	1.2
112.49121	1.1
119.08572	1.0
121.10096	1.2
131.08554	1.7
141.79413	0.8
173.85899	0.8
184.07254	1.8
196.81624	0.9
213.70068	0.8
277.13831	0.9
291.19144	0.8
535.26453	1.1
545.38574	0.9
642.79572	0.9
707.37506	100.0
708.37836	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22961	1.3
53.63568	1.3
57.07056	1.5
66.43401	1.3
67.05489	4.4
67.90683	1.5
69.07054	2.1
69.60067	2.6
69.60474	8.9
71.36856	1.3
79.05476	3.6
81.03428	2.2
81.07031	5.1
84.32397	1.2
86.09700	4.9
87.04440	2.4
91.05475	2.4
93.07031	1.9
95.08595	4.5
98.20763	3.1
105.07005	2.6
107.08538	2.8
108.21195	1.6
109.10152	1.4
109.64010	1.6
119.08584	2.7
120.33484	1.4
121.10113	1.6
125.00017	2.5
133.10173	2.6
145.10248	1.3
147.11670	1.6
159.11678	1.4
184.07272	12.9
215.17839	1.6
269.38919	1.4
286.10968	1.4
303.69583	1.6
310.18036	1.5
392.12238	1.5
531.84784	1.3
560.61151	1.4
595.46991	2.2
707.37488	100.0
708.37750	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	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60895	4.1
51.02384	4.5
53.03935	12.2
55.01857	11.5
55.05511	39.8
57.03417	17.4
57.07061	5.0
65.03921	5.7
67.05492	99.6
69.03411	21.0
69.04498	4.2
69.07068	22.4
69.69386	35.7
71.04980	12.3
79.05480	82.0
81.03403	92.3
81.07045	100.0
83.04964	32.4
83.08598	29.5
85.02879	17.2
87.04409	5.2
91.05461	63.1
93.07031	58.2
95.04946	33.4
95.08598	59.1
97.02863	20.7
97.06508	14.8
97.10165	15.4
99.04418	12.6
100.76472	4.3
105.07005	46.0
107.04942	14.2
107.08583	37.6
109.02856	14.4
109.06504	14.4
109.10130	36.9
111.04430	15.3
111.08068	14.4
113.05981	4.4
117.07017	19.2
119.08569	44.7
121.06458	4.6
121.10133	28.7
123.04462	7.8
123.08048	6.2
123.11692	15.2
125.09588	5.8
127.03895	7.9
129.05455	9.9
129.06967	14.1
131.08559	41.5
133.10126	30.9
135.08022	6.3
135.11667	19.6
137.05952	4.3
137.09549	6.1
141.06975	4.2
143.08545	12.1
145.06509	8.5
145.10129	23.7
147.07980	4.7
147.11627	22.3
149.09610	13.5
149.13255	9.1
151.11166	5.6
155.08589	7.9
157.10146	10.1
159.11671	13.9
161.05934	6.9
161.09573	6.7
161.13303	9.4
163.03903	6.1
163.11142	9.2
169.10115	11.8
171.11685	10.0
173.09567	6.6
173.13271	13.3
175.11166	10.5
181.12270	7.3
187.14917	6.4
191.10599	8.1
193.12222	27.4
197.01566	4.4
199.03880	6.4
211.13132	31.1
217.04907	4.7
227.12709	13.6
229.14154	4.7
261.22134	14.1
267.15863	18.0
275.19775	6.8
277.21307	7.5
285.16962	7.3
311.12915	9.2
313.00565	4.8
329.13919	5.1
335.25900	33.0
369.24078	8.4
377.25967	4.1
391.35779	4.2
429.19583	8.2
453.33383	5.6
461.29080	5.8
527.37006	17.8
545.38196	29.3
671.40948	9.5
689.41577	19.9
707.41016	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	13.2
55.01863	9.4
55.05503	35.5
55.14660	2.6
55.90924	3.3
57.03426	14.2
57.07061	6.8
65.03924	7.4
67.05495	78.1
68.05810	3.4
69.03420	21.1
69.07056	23.8
71.04974	11.4
73.02910	3.2
74.92591	2.9
79.05482	59.6
81.03406	100.0
81.03880	5.1
81.07046	81.5
83.04962	44.0
83.08602	24.0
83.39503	3.9
85.02905	23.5
86.09700	4.2
87.04456	51.2
88.04784	5.2
91.05464	48.3
93.07030	55.2
94.07346	3.9
95.04957	25.4
95.08589	53.5
97.02888	27.3
97.06522	12.7
97.10186	7.4
98.34293	3.8
99.04436	8.9
105.07003	38.9
106.07371	4.1
107.04948	9.1
107.08578	39.9
109.02849	13.4
109.06509	8.2
109.10133	26.8
111.04433	23.9
111.08066	13.3
113.06071	3.4
114.41882	3.2
115.05458	4.8
117.06987	14.4
119.08576	36.9
121.06490	8.6
121.10125	26.2
123.11708	7.9
125.09621	7.0
127.03902	10.7
129.05460	12.9
129.07001	12.6
131.07054	4.3
131.08551	33.5
133.06477	4.8
133.10127	27.1
135.08032	4.4
135.11678	17.1
137.09645	4.9
142.07762	7.7
143.08568	14.8
145.06479	3.8
145.10097	16.5
146.10458	3.6
147.08009	6.3
147.11684	23.3
149.09593	8.9
149.13297	5.7
151.11212	3.3
153.12782	3.6
155.08528	6.4
157.10098	15.6
159.11653	16.9
161.13243	6.7
163.11174	11.8
165.12750	8.6
171.11646	7.4
173.09596	4.0
173.13335	7.4
175.11189	13.1
179.14281	5.2
181.12224	7.7
183.06555	3.1
183.11624	4.5
184.07307	9.4
185.07784	5.4
185.13223	3.7
191.10609	12.2
193.12213	41.3
195.11771	3.0
197.13228	3.8
209.13275	3.4
211.13257	58.8
211.15161	4.4
227.12708	19.2
229.14372	5.2
236.05014	3.0
243.21008	4.6
261.22073	17.3
267.15796	19.5
277.21521	5.3
279.23126	4.7
283.15356	6.4
285.16959	21.4
301.21469	5.0
315.23270	3.7
335.25769	26.0
337.27200	9.3
351.23169	4.1
369.24203	7.8
387.25433	7.5
405.25998	4.2
411.20224	4.0
427.19669	6.1
429.20819	6.8
453.34027	4.1
461.28857	4.0
479.30383	4.1
527.37262	13.5
545.38116	36.7
563.38696	4.0
653.40295	9.6
671.41101	6.0
689.42175	22.3
707.43213	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	707.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12972	1.5
53.03930	7.3
55.01862	9.6
55.05498	33.6
57.03432	15.9
57.07060	1.8
60.88286	1.6
61.02909	6.0
65.03922	5.6
67.05490	84.0
69.03417	21.2
69.07052	19.7
71.01324	2.1
71.04970	10.5
71.08607	1.7
71.70477	2.6
73.02904	3.4
79.05476	62.3
81.03399	100.0
81.07038	80.7
82.07403	2.0
83.04965	47.4
83.08599	27.4
85.02880	22.5
85.06502	4.5
87.04449	2.3
88.38540	1.6
91.03926	2.7
91.04921	3.3
91.05459	48.1
93.06435	3.0
93.07025	57.0
95.04941	26.3
95.08589	53.3
95.09205	3.5
96.08916	1.5
97.02872	26.8
97.06510	11.9
97.10155	9.8
99.04462	9.2
99.08070	4.3
103.03939	2.1
105.07006	37.4
107.04939	8.0
107.08571	29.6
107.68776	1.5
108.40678	1.6
109.02855	13.4
109.06519	5.6
109.10122	23.8
111.04420	20.2
111.08048	14.6
111.11649	1.7
113.00022	1.5
115.05396	3.3
117.06999	15.0
119.08552	33.9
119.84978	1.5
121.06500	5.3
121.10114	27.6
123.04415	1.8
123.08020	3.6
123.11676	7.8
125.09611	3.7
127.03905	13.5
128.06197	3.0
129.05432	14.1
129.06955	16.1
131.08533	27.8
133.06459	3.2
133.10100	23.7
133.11023	2.3
135.08043	4.5
135.11658	18.8
137.05856	1.6
137.09596	2.0
137.13234	2.0
141.07016	3.4
142.07686	2.9
143.08545	7.4
145.06390	2.3
145.10110	14.0
147.08037	5.0
147.11653	28.5
149.09549	7.4
149.13222	7.6
153.06943	2.1
153.12701	8.6
154.07640	1.6
155.08559	4.5
157.10097	16.0
159.08037	2.3
159.11678	9.7
161.09612	2.8
161.13220	5.6
163.11165	11.1
165.12721	6.6
167.08464	1.9
169.10100	2.5
171.08029	1.7
171.11685	5.4
173.04326	1.8
173.09593	2.2
173.13228	5.4
175.11145	14.7
175.14798	2.8
179.14365	1.6
181.10083	3.5
181.12180	9.8
183.06609	1.8
183.11667	3.7
184.07306	5.1
185.13226	2.7
187.14803	2.6
189.11140	1.9
189.12787	2.5
191.10590	7.7
193.12213	42.5
197.13182	2.7
199.11160	2.1
199.14830	4.7
201.12724	1.7
209.11655	2.4
211.13239	70.9
213.16267	1.6
227.12720	17.1
229.14316	6.2
241.19435	2.0
243.21036	2.6
244.61823	1.8
249.14873	1.6
259.20514	2.9
261.21997	10.1
267.15805	11.0
269.17450	1.8
277.21555	2.9
283.15424	7.7
285.16946	20.1
289.21768	2.4
299.20319	1.8
301.16595	2.8
301.21552	2.3
303.22922	1.9
315.23428	1.7
317.24896	2.6
335.25720	38.2
337.27338	13.6
351.23050	3.0
355.17514	2.4
363.25113	1.9
369.24149	6.1
387.25217	5.3
405.26245	2.6
427.19736	3.5
429.21140	3.7
435.32654	2.2
443.27652	3.2
453.33435	2.3
461.28894	2.6
475.79413	1.8
505.44870	1.6
527.37250	9.3
543.36725	2.2
545.38245	37.4
546.38483	3.4
563.39404	2.5
653.40302	4.6
671.41284	5.2
689.42517	18.3
707.43127	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	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60895	4.1
51.02384	4.5
53.03935	12.2
55.01857	11.5
55.05511	39.8
57.03417	17.4
57.07061	5.0
65.03921	5.7
67.05492	99.6
69.03411	21.0
69.04498	4.2
69.07068	22.4
69.69386	35.7
71.04980	12.3
79.05480	82.0
81.03403	92.3
81.07045	100.0
83.04964	32.4
83.08598	29.5
85.02879	17.2
87.04409	5.2
91.05461	63.1
93.07031	58.2
95.04946	33.4
95.08598	59.1
97.02863	20.7
97.06508	14.8
97.10165	15.4
99.04418	12.6
100.76472	4.3
105.07005	46.0
107.04942	14.2
107.08583	37.6
109.02856	14.4
109.06504	14.4
109.10130	36.9
111.04430	15.3
111.08068	14.4
113.05981	4.4
117.07017	19.2
119.08569	44.7
121.06458	4.6
121.10133	28.7
123.04462	7.8
123.08048	6.2
123.11692	15.2
125.09588	5.8
127.03895	7.9
129.05455	9.9
129.06967	14.1
131.08559	41.5
133.10126	30.9
135.08022	6.3
135.11667	19.6
137.05952	4.3
137.09549	6.1
141.06975	4.2
143.08545	12.1
145.06509	8.5
145.10129	23.7
147.07980	4.7
147.11627	22.3
149.09610	13.5
149.13255	9.1
151.11166	5.6
155.08589	7.9
157.10146	10.1
159.11671	13.9
161.05934	6.9
161.09573	6.7
161.13303	9.4
163.03903	6.1
163.11142	9.2
169.10115	11.8
171.11685	10.0
173.09567	6.6
173.13271	13.3
175.11166	10.5
181.12270	7.3
187.14917	6.4
191.10599	8.1
193.12222	27.4
197.01566	4.4
199.03880	6.4
211.13132	31.1
217.04907	4.7
227.12709	13.6
229.14154	4.7
261.22134	14.1
267.15863	18.0
275.19775	6.8
277.21307	7.5
285.16962	7.3
311.12915	9.2
313.00565	4.8
329.13919	5.1
335.25900	33.0
369.24078	8.4
377.25967	4.1
391.35779	4.2
429.19583	8.2
453.33383	5.6
461.29080	5.8
527.37006	17.8
545.38196	29.3
671.40948	9.5
689.41577	19.9
707.41016	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
55.01851	5.0
55.05503	31.3
57.03433	15.9
57.07058	4.7
58.11087	2.8
61.02907	7.6
65.03922	6.9
67.05142	5.2
67.05492	100.0
68.05819	3.4
69.03410	19.1
69.07062	27.4
69.72206	20.1
71.04980	26.9
73.02896	4.3
73.70924	2.6
79.05483	59.8
81.03403	45.0
81.07042	60.3
83.04956	13.2
83.08598	14.3
85.02876	11.1
85.06521	4.7
91.04918	4.5
91.05466	71.5
93.07027	70.7
94.07342	3.0
95.04964	17.3
95.08012	3.9
95.08592	45.9
97.02866	13.3
97.06503	7.4
97.10145	9.2
98.20730	4.9
98.21399	5.9
99.04456	7.2
99.08073	4.5
105.07016	52.5
105.92829	2.4
107.04944	6.3
107.08579	33.4
107.33353	2.4
109.02827	4.9
109.06486	9.3
109.10133	41.7
109.66433	2.3
111.04444	3.0
111.08074	3.5
115.05437	3.6
117.06982	22.6
119.08557	43.1
120.08913	2.7
121.06487	8.0
121.10108	32.3
123.04391	4.1
123.08044	3.8
123.11696	7.0
125.09592	5.1
127.03860	8.1
128.06180	4.9
129.05469	3.0
129.06998	14.3
131.04892	3.6
131.08548	37.0
133.06480	3.3
133.10114	32.5
135.08012	6.2
135.11679	20.3
135.71260	2.6
137.09581	8.7
139.11186	4.4
141.06989	5.3
142.07748	4.2
143.08487	14.4
145.06476	3.9
145.10109	23.9
147.11664	25.7
149.09570	5.6
149.13239	5.4
151.11151	5.1
153.06917	2.6
155.08537	8.9
157.10059	12.7
159.08061	3.4
159.11665	18.7
161.06018	3.6
161.09645	5.2
161.13144	12.8
163.03830	7.1
163.11153	5.8
165.12660	2.8
169.10106	9.0
171.11612	14.2
173.02391	3.0
173.04425	16.8
173.05984	8.9
173.11710	9.5
173.13269	12.5
175.11292	4.7
175.14853	3.4
179.08499	3.4
181.10097	6.9
181.12042	2.6
183.11694	5.2
184.07341	3.4
185.13199	11.1
187.14787	5.1
193.12248	3.0
195.11703	3.9
197.13277	5.2
199.03958	3.7
199.07544	2.9
199.14885	5.2
201.05356	7.6
203.14355	3.3
207.11661	3.0
209.13266	3.9
211.13264	3.2
213.05464	3.8
213.12750	2.7
217.04956	5.2
229.14290	6.7
237.16312	3.2
241.19583	3.6
243.15810	4.0
255.15974	3.8
257.18958	5.7
259.20483	9.4
261.22110	9.1
267.13620	4.7
271.20932	3.4
273.22147	2.9
275.19965	3.8
277.21710	3.1
283.20328	3.1
298.34802	3.8
301.21713	2.9
311.12683	4.2
329.13647	3.3
333.24200	8.6
335.26074	4.8
341.24493	3.0
355.15320	6.5
359.25644	3.2
385.16296	2.9
399.20523	3.3
429.18875	8.1
431.22491	3.3
471.34183	3.1
487.34177	11.7
489.35678	44.2
495.34760	4.9
511.34021	3.1
513.35852	30.3
527.36896	4.6
545.38409	13.3
577.92163	3.0
653.40277	3.9
657.39032	4.1
671.40955	5.5
675.40533	7.1
689.40729	9.3
707.42010	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	708.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01858	1.8
55.05503	7.8
57.03155	1.0
57.03422	11.9
65.03918	1.7
67.05492	34.1
67.19250	0.6
69.03426	1.4
69.07058	9.6
71.04972	4.0
71.69146	0.6
71.69558	1.2
75.08724	0.6
79.05477	18.9
81.03403	52.0
81.07041	41.6
83.04961	5.1
83.08602	16.2
83.66496	0.7
85.02901	1.9
85.06529	3.0
91.05461	18.5
92.81425	0.9
93.07027	30.0
95.04947	18.1
95.08584	10.6
97.02853	2.5
97.06523	6.3
97.10150	1.8
99.08063	2.3
103.05429	0.7
105.07014	10.8
105.99947	0.7
107.04955	3.5
107.08566	14.8
109.06504	3.0
109.10131	2.6
111.04474	1.0
111.08052	7.7
113.09626	0.8
117.07000	4.4
119.08572	8.5
121.06440	2.4
121.10126	12.6
123.08049	1.6
123.11680	1.6
125.09657	1.2
129.06982	6.4
131.08548	10.2
133.06485	2.9
133.10123	6.5
135.11667	3.7
137.09579	1.6
142.07718	1.3
143.08501	0.9
145.10117	1.0
147.08043	2.4
147.11649	6.9
149.09602	3.2
149.13237	11.7
151.11121	1.2
157.10095	6.8
159.11688	6.4
165.12737	2.0
175.11179	5.2
176.79361	0.7
177.12750	2.6
193.12219	13.5
195.12134	0.8
195.13712	4.4
211.13211	2.1
249.14850	1.7
267.15869	49.9
268.16171	1.3
269.17422	44.5
270.17889	0.9
369.24014	1.0
435.27310	5.8
443.27814	3.0
453.28473	1.7
461.28912	100.0
462.29254	4.1
479.30029	2.3
503.29993	1.8
511.32565	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	708.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01857	2.4
55.05507	20.4
57.03425	14.4
59.04987	3.6
61.02903	4.0
67.05498	68.5
69.03414	6.2
69.07073	13.9
70.06564	3.6
71.04981	22.9
71.68018	3.8
79.05483	36.4
81.03407	47.4
81.07048	100.0
83.04982	16.5
83.08609	20.9
84.08162	3.8
85.02901	24.2
85.06519	7.6
91.04936	2.6
91.05476	45.0
93.07036	34.1
95.04960	24.3
95.08604	20.4
97.02872	4.2
97.06497	9.2
97.10167	3.7
99.04407	2.5
105.07008	26.0
107.04922	8.2
107.08592	19.4
109.06499	6.7
109.10121	13.9
111.04420	2.5
111.08060	9.6
115.05415	3.6
117.07021	4.1
119.08559	17.9
121.06476	2.8
121.10105	9.9
123.08008	3.1
123.11698	11.6
125.09622	3.7
129.07001	12.8
131.08536	10.7
133.06436	2.5
133.10115	24.9
135.08014	2.8
135.11752	5.1
139.03876	2.5
145.10120	3.3
147.08026	5.3
147.11691	11.9
149.09579	4.0
149.13229	5.9
151.11147	8.7
157.10120	16.3
159.11703	7.5
161.09511	2.2
163.11153	2.8
165.12708	2.9
175.11143	9.8
177.12654	3.9
187.13194	5.6
193.12241	23.1
195.13780	4.4
211.13268	29.0
225.14803	3.1
243.15857	4.2
267.15875	31.0
269.17441	28.3
269.59869	2.3
285.16928	13.7
301.20047	19.4
349.23499	3.4
369.24142	3.9
417.26663	2.6
435.27408	29.7
443.14694	2.7
443.27768	6.7
453.28430	57.1
454.28796	4.6
461.22287	4.5
461.28879	72.7
462.29108	5.4
467.29672	9.4
479.29929	59.8
480.30225	4.2
485.58734	2.8
493.31430	4.5
511.32697	40.3
512.32861	2.7
586.36096	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52168	1.2
51.50698	1.0
55.83004	1.0
57.57403	1.1
69.47409	10.8
69.47823	2.9
70.06562	1.7
79.05471	1.3
82.06547	1.3
85.02880	2.7
93.07043	2.0
94.06581	3.1
95.04931	1.3
95.07329	1.5
96.08096	4.5
98.20721	2.8
108.04479	1.4
108.08119	5.3
110.09674	4.9
120.04489	1.9
120.08076	6.1
122.06012	2.7
122.09648	1.4
124.07578	2.4
127.03878	2.9
136.07568	5.5
138.09129	11.3
144.04433	1.4
148.07578	1.9
150.09137	1.9
152.07039	2.3
162.05492	1.3
163.03802	1.6
164.07138	1.5
166.08630	10.3
172.03935	4.0
180.10155	1.5
182.08299	1.2
183.09271	1.3
184.09949	1.2
190.04961	3.4
191.71600	1.4
204.06499	5.8
205.41733	1.3
211.08617	1.4
212.09396	1.4
213.10287	2.0
225.10231	4.3
226.10715	1.4
236.09520	1.6
237.10156	5.2
238.10919	1.6
239.11758	6.8
241.09666	3.8
243.11212	1.9
249.10223	4.9
250.11043	2.3
251.07957	1.6
251.11809	4.0
253.09650	6.7
254.10410	2.0
255.11275	1.9
261.10156	2.4
263.08594	1.2
263.11813	3.3
265.09683	7.6
266.10376	2.1
267.07956	1.0
267.08603	1.0
267.11304	9.1
269.09042	1.9
269.12796	1.7
271.10654	1.8
277.09753	3.5
278.10495	3.1
279.07669	3.4
279.11258	6.5
280.12024	2.6
281.09204	3.2
281.12631	1.6
282.09979	1.7
283.10739	5.9
285.12415	6.3
287.10489	1.5
287.13690	2.8
289.09546	3.3
291.11115	1.7
293.09204	2.7
293.12973	2.8
294.09955	4.4
295.10739	6.1
296.11462	2.3
297.12463	3.6
299.10199	3.8
299.13730	2.5
301.11798	2.1
303.13339	2.9
306.09534	1.8
307.10547	1.7
309.12216	3.4
311.10291	6.1
311.13608	2.3
312.10919	2.0
313.11862	5.2
314.12540	1.6
315.13492	1.9
317.06467	2.4
323.10220	2.4
324.10959	1.3
325.11566	6.2
326.12616	3.1
327.13342	18.3
335.10181	8.9
339.09619	2.0
339.13339	41.0
340.10535	1.6
346.15210	1.2
353.11200	1.5
354.12094	4.6
355.12881	17.7
357.14517	2.0
367.12802	25.6
373.13812	6.6
386.14960	1.8
387.15451	26.7
388.16150	2.2
399.15927	1.4
414.14435	2.0
415.15128	3.3
429.49103	1.2
432.15268	2.0
460.18622	2.3
462.16620	2.0
474.16537	4.0
479.20862	1.4
488.18265	5.8
492.21149	4.0
502.19022	1.3
506.18771	2.3
520.20734	100.0
521.21045	4.4
538.21851	2.3
552.15155	2.4
552.23346	49.5
553.23785	3.5
563.22455	1.3
627.24353	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	709.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.2
53.60402	2.5
55.01862	2.3
55.05505	19.8
55.65054	2.1
57.03444	12.6
57.07058	3.0
62.24749	1.9
65.03944	3.5
67.05138	4.3
67.05494	72.8
69.03432	13.0
69.07066	15.1
71.04988	14.7
73.02904	3.6
74.71420	2.2
79.05480	36.9
81.03401	29.7
81.07044	100.0
83.04971	22.6
83.08612	10.7
85.02869	4.2
85.06528	7.6
91.05468	27.9
93.07032	40.0
95.04962	4.6
95.08588	33.8
97.02873	5.5
97.06506	9.6
97.10144	5.7
98.21470	4.7
99.04427	5.2
99.08088	2.9
105.07024	16.7
107.04975	2.4
107.08578	23.4
109.02866	6.2
109.06526	3.2
109.10155	17.8
111.04431	6.0
117.07001	10.2
119.08545	10.3
121.10135	17.5
123.11674	13.0
123.75913	2.3
127.03873	3.7
129.05463	13.4
131.08566	13.1
133.10088	16.4
135.11700	11.7
143.08488	2.5
145.10120	8.1
147.11644	5.5
149.13199	13.8
159.11638	10.7
161.13173	3.7
171.11626	2.5
173.04463	10.3
173.13266	2.7
177.12720	7.3
185.13058	3.3
187.13309	9.1
190.93195	2.1
195.13815	7.6
213.14810	3.1
243.15862	39.4
243.21178	2.4
261.22165	5.8
269.17474	14.4
287.18414	4.5
335.25790	36.8
336.26065	2.1
353.27142	2.5
413.21527	7.8
431.22482	8.2
503.37299	43.8
504.37067	2.3
505.38690	3.5
529.39038	12.4
547.39661	6.7
673.42426	2.4
674.46722	2.2
691.43866	7.3
709.44208	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	711.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01849	1.1
55.05495	0.4
57.03428	2.6
59.14781	0.2
61.02910	0.6
64.39970	0.2
68.99773	0.6
69.03413	4.3
69.35384	1.9
69.35796	1.2
71.01334	0.4
71.04980	7.8
73.02879	0.9
75.04459	0.5
81.03396	4.9
83.04943	0.8
85.02891	15.3
87.00811	3.6
87.04456	0.3
92.02602	0.8
93.03381	1.1
97.02875	3.2
99.04469	1.4
105.01826	1.8
109.02853	4.4
111.00787	0.4
111.04432	0.9
117.01812	0.3
121.02847	0.8
123.04393	0.2
127.03890	5.6
129.01833	0.5
129.05457	1.2
137.02316	0.4
139.03819	0.6
145.04906	1.7
147.02837	0.4
147.06458	0.2
151.03838	1.4
153.01807	7.0
159.02876	2.2
163.03856	0.3
165.01813	0.9
177.05420	0.4
189.04118	0.3
201.05423	0.6
203.03413	0.3
213.03941	0.3
217.04936	0.8
218.05717	0.4
228.04131	1.3
229.04898	2.2
231.05023	0.3
243.06419	0.3
245.04446	0.7
246.05234	2.0
257.04355	1.9
260.02914	0.3
271.05936	0.6
273.03848	1.7
274.04657	5.4
284.03076	0.4
285.03906	3.2
302.04153	14.9
315.04807	0.3
316.05783	0.4
317.06506	100.0
318.06842	3.2
329.06558	0.6
341.06500	0.6
359.07587	1.9
383.07300	0.5
416.17801	0.3
427.10178	0.7
445.11169	0.4
463.12396	0.9
565.11273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43886	0.6
55.01851	1.2
69.03412	2.8
70.06564	0.9
71.04993	1.6
71.68481	1.2
72.08114	0.8
81.03403	1.4
81.31968	0.7
84.08130	1.0
85.02888	5.9
86.26208	0.7
92.31850	0.7
94.06554	1.1
97.02883	2.5
100.28682	0.6
101.47644	0.6
108.04472	0.8
108.08076	1.0
109.02882	1.1
111.29022	0.7
122.06029	1.2
124.07553	0.7
136.07616	1.0
140.07039	0.8
145.05000	0.9
164.07034	0.8
174.05493	0.6
194.09540	0.7
197.10728	1.0
198.11554	1.4
199.08646	7.5
201.10249	1.0
204.06589	1.1
206.08366	2.2
211.08650	7.2
211.12286	1.9
212.09320	3.5
213.10201	8.1
214.07329	0.9
214.10863	3.7
223.08646	1.0
224.09271	1.5
225.10152	10.1
226.07291	6.4
226.10786	4.3
227.08141	13.6
227.11641	5.0
228.12523	0.7
229.09673	1.3
229.13339	0.9
237.10205	1.0
239.08067	1.7
239.11742	8.3
240.08907	2.6
240.12576	2.6
241.09683	13.1
241.12192	0.7
241.13326	1.5
242.10437	10.1
243.11197	0.9
251.08301	1.3
251.11826	1.1
252.08632	0.8
252.12811	0.7
253.09717	6.6
254.10464	1.5
255.11259	9.7
256.12143	1.0
257.12814	19.4
267.11252	13.3
268.08878	1.2
268.12076	8.6
269.09186	2.6
269.12708	3.1
270.09866	0.9
271.10776	1.5
273.12396	2.0
279.11383	1.2
280.12061	1.3
281.09216	2.5
283.10757	2.1
284.11530	1.8
285.12393	5.9
286.09531	1.6
286.13107	2.3
287.10318	0.9
295.10724	7.2
296.11542	9.4
297.09402	0.7
297.12216	3.4
298.13156	1.2
299.10220	1.8
300.11060	1.5
301.06851	1.1
301.11865	0.9
313.08182	1.4
313.11786	28.2
314.12534	12.9
315.13287	1.6
317.06583	1.3
323.10236	1.6
324.10944	1.2
327.13495	0.9
341.11209	6.3
342.12064	42.0
343.12619	1.5
345.14404	1.2
351.63275	0.7
355.12827	1.2
356.13235	0.8
359.12369	1.8
360.12552	0.7
373.13913	11.1
374.14389	4.1
383.12082	0.7
401.13654	0.9
411.11703	1.0
415.13907	1.1
417.12671	1.4
429.12787	2.8
433.16232	1.5
443.14517	2.3
455.14465	0.9
457.12308	3.8
471.13831	3.8
473.15564	1.7
489.15054	17.8
499.13501	2.1
506.69296	0.8
517.14490	60.4
518.14838	2.9
531.15967	1.8
549.17078	100.0
550.17456	3.0
570.05664	0.6
597.24109	1.0
625.23102	1.4
643.23773	2.4
657.25244	1.6
661.25562	3.3
675.26825	3.7
693.27881	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	711.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03433	0.6
67.77348	0.4
69.03403	2.0
69.97107	1.3
69.97524	1.1
70.06578	1.0
80.65514	0.4
81.03407	1.3
85.02902	3.5
87.04462	0.4
88.81771	0.4
88.82344	0.4
94.06556	0.6
97.02887	1.3
107.04897	0.6
108.08091	0.4
109.02807	0.6
114.96780	0.4
120.04444	0.4
120.08035	0.4
123.04405	1.1
127.03874	0.8
134.05989	0.6
136.07564	0.6
139.03885	0.9
145.02812	0.5
148.07574	0.6
151.03885	0.5
163.03902	1.0
164.07011	0.5
177.05457	0.4
177.64241	0.5
187.63779	0.5
197.10712	1.0
198.07785	0.6
198.11377	0.4
199.08578	4.1
199.12390	0.6
209.10844	0.6
211.08582	5.2
211.10196	0.5
211.12257	1.0
212.09285	2.6
213.10196	5.4
214.11002	1.9
222.11223	0.5
224.09218	0.6
225.10175	9.1
226.07314	4.7
226.10815	4.2
227.08107	7.3
227.11635	4.8
228.08565	0.5
229.09685	0.7
237.10281	1.1
239.08179	1.2
239.11752	5.7
240.08957	1.6
240.12473	3.7
241.09686	10.4
241.13252	2.3
242.10463	7.1
242.14185	0.9
243.11142	0.5
251.11848	1.5
252.08812	0.8
252.12665	1.2
253.05910	0.5
253.09692	6.5
254.10423	2.7
255.11263	10.1
256.11798	0.5
257.12799	20.9
258.13251	0.5
265.09656	2.2
266.10287	0.5
267.08221	1.0
267.11237	9.0
268.09021	0.8
268.12042	7.2
269.09265	0.8
269.12857	3.2
270.10187	0.7
270.13623	1.2
271.10748	1.4
279.11270	1.0
280.12067	7.6
281.09225	1.7
283.10782	1.4
284.11594	1.5
285.12277	4.7
286.09637	0.9
286.13055	1.7
295.10724	8.3
296.11478	7.0
297.12317	5.8
298.13132	1.8
299.10321	1.0
300.11057	1.2
301.11847	0.7
313.11768	32.8
314.12552	16.5
315.13165	1.5
323.10532	0.9
324.11066	1.0
338.19537	0.5
341.11279	5.1
342.12067	24.4
343.12531	1.2
345.14474	0.7
355.12949	1.4
356.13431	0.4
359.12518	0.8
373.13898	9.8
374.14429	4.8
383.12079	0.4
387.11584	0.6
401.09277	0.7
401.13779	0.6
411.12012	0.8
415.15009	0.6
417.12946	1.1
429.12988	1.6
433.16080	1.2
443.14700	3.0
445.15814	0.5
455.14474	4.3
457.12222	3.8
461.15622	0.5
471.13855	3.1
473.15381	7.7
475.13583	0.6
489.14996	20.2
490.15158	0.8
499.13257	1.7
517.14471	34.5
518.14551	1.3
531.16077	1.6
535.15039	0.5
549.17078	100.0
550.17474	5.3
625.22894	0.6
643.22937	0.6
661.18213	0.5
675.26776	0.9
711.21680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07787	0.1
64.91933	0.1
69.89398	0.8
98.30917	0.1
123.74191	0.1
139.53482	0.1
160.88550	0.1
167.03500	0.1
175.03644	4.9
190.95575	0.2
201.46896	0.1
277.31601	0.1
299.12869	0.2
321.11029	0.9
339.11993	8.4
340.12308	0.3
367.11465	100.0
368.11792	4.4
385.12408	0.3
408.14096	0.8
491.25183	0.1
554.96399	0.2
711.24072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17877	2.4
53.03934	5.7
55.01859	4.2
55.05501	25.7
57.03429	17.1
57.07056	4.9
61.17813	2.5
67.05495	94.2
68.05798	2.8
69.07066	25.6
69.41284	11.1
69.41705	16.6
71.04983	8.5
79.05480	51.3
80.48981	2.5
81.07044	93.1
83.04951	5.6
83.08604	17.9
85.06512	3.8
89.68478	2.7
91.05470	43.1
93.07024	60.8
95.04971	6.2
95.08000	5.6
95.08588	89.2
97.06525	10.9
97.10123	7.9
99.08092	3.2
105.07014	30.7
107.08571	31.8
109.10130	27.5
111.08071	5.9
113.09576	2.8
117.06999	8.3
117.20894	2.8
119.08578	27.7
121.10105	25.6
123.11661	6.8
125.09624	3.7
131.08553	11.6
133.10132	26.4
135.11685	23.5
137.13182	4.5
145.10118	9.3
147.11687	7.5
149.13223	8.0
157.09984	3.6
159.11754	5.5
161.13229	23.4
173.11633	2.6
173.13138	6.6
179.14311	13.0
181.12233	3.6
243.21027	4.7
253.17873	17.9
255.15907	13.0
261.22137	14.4
271.18991	37.5
333.14413	3.1
335.25732	100.0
336.25952	5.3
514.35950	5.4
515.37262	26.2
531.40253	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.0
55.01867	3.0
55.05499	17.4
57.03426	23.8
57.07062	3.2
58.68006	1.4
65.03934	3.4
67.05495	63.9
69.07054	19.0
70.05261	8.2
71.01343	3.1
71.04981	4.0
79.05020	3.4
79.05480	54.6
81.03419	2.9
81.07045	51.1
83.04958	12.4
83.08599	9.2
85.02881	2.5
85.06543	3.4
91.03966	1.8
91.05466	31.3
93.07031	70.5
95.04964	6.7
95.08594	35.4
97.02880	1.9
97.06518	10.6
97.10152	9.1
105.04412	1.9
105.07017	14.1
107.08580	43.0
109.06490	1.9
109.10133	14.4
111.08051	2.4
117.07001	5.4
119.08559	12.4
121.10086	18.8
123.11719	3.5
125.09586	2.2
131.08551	7.6
133.10107	13.0
135.11674	55.5
137.09669	2.6
143.08537	2.9
145.10103	12.6
147.11679	5.3
149.13246	2.4
153.12697	2.2
157.51993	1.8
159.11694	6.1
161.13237	4.4
163.11195	5.3
163.14774	2.3
173.13234	3.7
181.12227	13.1
187.14752	2.4
199.13274	2.1
203.12756	1.8
243.21068	2.9
253.14290	3.2
254.18126	2.6
255.15875	100.0
256.16208	3.5
261.22079	11.5
271.18832	2.3
335.25757	52.5
336.26193	4.6
423.32181	2.0
441.33646	2.3
515.37256	72.4
516.37531	3.9
532.41046	2.5
602.97974	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	713.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01856	1.2
57.03417	0.9
61.02906	0.9
67.01875	0.2
68.99766	0.8
69.03422	5.2
70.06566	0.8
71.04960	0.8
71.68542	0.3
71.68909	0.3
73.02914	1.1
81.03403	5.5
84.08101	0.3
85.02385	0.5
85.02892	10.4
86.09677	0.3
87.00814	3.8
87.04447	0.4
88.72444	0.2
91.05418	0.2
93.03401	0.3
94.06528	0.3
95.04956	0.5
97.02248	0.3
97.02876	5.7
99.04448	2.0
105.01849	3.1
107.04921	0.5
109.02856	4.2
111.00781	1.1
117.01825	0.6
119.04886	0.3
120.73835	0.2
121.02842	0.9
122.05981	0.3
123.04380	0.9
127.03900	8.4
127.28172	0.2
129.01772	0.3
135.04375	0.5
136.75270	0.2
137.02318	2.9
137.05963	0.4
139.03865	0.5
140.07021	0.6
145.02852	0.6
145.04919	2.9
145.06013	0.2
145.06509	0.2
147.04399	0.5
149.02313	0.8
151.03894	0.4
152.07039	0.6
153.01785	3.8
159.02872	1.8
160.81360	0.3
161.05902	0.4
163.03893	1.4
165.01822	2.1
166.02486	0.4
167.06987	0.3
173.06001	0.4
174.38193	0.3
177.05472	0.5
183.02837	0.9
183.04399	0.4
187.03891	0.3
194.08096	0.7
201.05478	1.5
204.06584	0.7
206.07965	0.3
212.09218	0.4
216.61784	0.3
216.64026	0.2
219.06647	0.2
228.04100	0.2
229.04930	3.6
231.04881	1.7
245.04375	0.4
247.05922	0.6
257.04404	3.0
274.04593	0.7
275.05283	0.3
285.03925	1.7
286.04602	0.3
301.11752	0.4
303.04944	100.0
304.05206	1.9
309.03741	0.3
319.04541	0.4
345.06024	0.7
348.10327	0.2
371.60776	0.2
406.42062	0.2
465.10208	11.8
531.78809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1548
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03936	1.0
55.01862	1.2
57.03427	0.7
59.04972	0.1
61.02917	0.8
65.03919	0.1
68.99779	0.9
69.03419	5.1
69.42294	0.8
69.42718	0.3
70.06543	0.1
71.01309	0.1
71.04975	0.7
72.71494	0.1
73.02905	1.2
81.03406	5.7
83.01292	0.2
85.02892	9.4
87.00816	4.3
87.04400	0.2
91.03923	0.5
91.05453	0.2
93.03364	0.1
95.04927	0.2
97.02876	3.7
99.04439	1.7
103.03896	0.2
105.01855	2.7
109.02862	5.0
111.00773	1.0
111.04362	0.1
115.03936	0.2
117.01844	0.7
117.98658	0.1
121.02856	0.7
122.06030	0.1
123.04361	0.5
127.03896	7.8
129.01772	0.5
135.04359	0.3
136.07567	0.1
137.01295	0.1
137.02319	2.4
137.05894	0.1
138.18594	0.1
145.04942	2.8
145.06119	0.2
147.02824	0.4
147.04356	0.1
149.02307	0.3
151.03836	0.1
152.07008	0.2
153.01804	3.0
155.04845	0.2
159.01620	0.2
159.02881	3.0
159.04205	0.2
161.05940	0.2
163.03923	0.5
165.01813	1.8
166.02557	0.2
171.02927	0.1
173.05928	0.3
177.05409	0.1
183.02841	0.8
183.04353	0.3
187.03812	0.2
189.03929	0.1
191.03285	0.2
191.52130	0.1
194.08115	0.2
195.02867	0.2
201.05418	1.3
205.04912	0.2
207.02795	0.2
212.09311	0.2
213.03862	0.2
219.02892	0.2
219.06557	0.3
229.04926	3.8
231.04977	1.3
239.03363	0.1
247.06023	0.7
257.04434	2.7
257.07083	0.1
267.11121	0.2
274.04694	0.7
275.05383	0.2
285.03918	1.6
285.12341	0.3
303.04944	100.0
304.05283	1.8
313.11902	0.2
319.04462	0.1
319.12860	0.1
345.05920	0.5
465.10236	16.4
466.10712	0.4
467.40390	0.1
551.10431	0.4
677.27814	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	713.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71263	0.1
53.03708	0.2
53.03933	1.4
55.01859	1.3
57.03421	0.8
61.02904	0.6
64.93177	0.1
65.03906	0.2
68.99780	1.0
69.03415	4.7
70.06565	0.5
71.04976	0.7
71.68535	0.2
71.68903	0.2
73.02901	1.0
75.56918	0.1
76.68269	0.1
81.03400	6.0
81.03880	0.3
83.01318	0.2
84.08121	0.2
85.02890	8.5
87.00809	3.8
87.04450	0.2
91.03943	0.3
93.03353	0.2
94.98413	0.1
97.02876	3.1
99.04428	2.1
101.02433	0.2
105.01844	2.3
109.02857	5.0
111.00790	0.9
112.13306	0.1
115.03927	0.2
117.01812	0.8
118.23104	0.2
119.04903	0.2
121.02850	1.0
123.04411	0.6
127.03893	7.4
129.01833	0.7
131.43594	0.2
135.04305	0.2
137.02306	3.2
139.03868	0.5
145.02853	0.2
145.04932	2.1
147.02876	0.3
147.04358	0.2
149.02324	0.5
151.03880	0.2
153.01787	3.1
159.02853	3.0
161.05878	0.3
163.03874	0.7
165.01814	2.4
166.02628	0.2
169.06335	0.2
173.05946	0.4
175.03841	0.2
179.03291	0.2
183.02928	0.7
183.04228	0.2
187.03885	0.4
191.03377	0.2
191.06793	0.2
193.10526	0.1
195.02788	0.3
197.05881	0.2
201.05421	1.5
219.06511	0.2
229.04913	4.2
231.04875	1.0
245.04584	0.2
247.05966	0.6
257.04382	2.8
274.04752	0.8
275.05359	0.3
285.03879	1.4
303.04932	100.0
304.05255	1.8
315.04849	0.2
345.05890	0.9
465.10196	9.4
466.10907	0.3
501.09244	0.2
508.53693	0.2
543.09515	0.2
551.10016	0.3
720.22406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	1.4
57.03421	0.9
61.02908	0.8
65.75249	0.2
66.80988	0.2
67.05463	0.2
68.99780	1.0
69.03414	4.9
70.06569	0.2
70.67526	0.6
71.04995	0.8
73.02900	1.1
81.03400	6.5
84.08108	0.2
85.02888	10.1
87.00812	4.1
91.03951	0.4
93.03406	0.3
95.04951	0.3
97.02872	3.6
99.04423	1.7
99.21914	0.2
105.01842	2.8
107.04958	0.2
109.02854	5.0
111.00784	0.7
115.03893	0.3
115.05488	0.2
117.01830	0.6
121.02860	0.8
123.04393	0.4
127.03888	7.8
127.81873	0.2
129.01817	0.6
137.02319	3.3
137.03349	0.2
137.05876	0.2
145.02884	0.2
145.04910	2.5
145.06166	0.2
145.06529	0.2
147.02881	0.4
148.03862	0.1
149.02271	0.3
153.01793	3.2
159.02846	2.8
161.05949	0.3
163.03909	0.8
165.01794	1.9
166.02505	0.2
171.02884	0.2
172.09317	0.2
177.03929	0.3
177.05421	0.4
179.03362	0.2
182.08142	0.2
183.02843	1.0
183.04250	0.2
187.03813	0.2
189.03976	0.2
191.03386	0.2
195.02846	0.3
201.05417	1.5
203.07260	0.2
205.04900	0.2
212.09261	0.2
213.03799	0.2
213.05565	0.2
215.03217	0.2
219.02928	0.2
219.06474	0.4
225.10229	0.2
228.03987	0.2
229.04919	3.9
231.04962	1.2
239.11557	0.2
247.06030	0.8
257.04416	2.9
257.12775	0.2
273.03830	0.3
274.04727	0.7
285.03983	1.2
285.12326	0.2
289.92160	0.2
302.04236	0.2
303.04926	100.0
304.05261	2.6
319.04398	2.2
345.05988	0.5
465.10202	16.3
466.10339	0.4
488.66208	0.2
551.09924	0.4
551.17944	0.2
627.23340	0.2
676.25574	0.2
695.27472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99380	0.5
69.03384	1.3
70.06528	1.8
70.27878	1.7
71.04947	1.2
80.04994	0.7
81.03357	1.2
85.02889	4.8
86.09650	0.7
87.00765	0.5
91.05416	1.5
93.06964	1.8
94.06480	2.3
95.07292	2.1
96.08096	4.5
97.02841	1.3
99.04382	0.7
108.08092	5.3
109.02827	1.5
110.09657	8.4
111.04420	0.6
119.52158	0.5
120.04447	3.1
120.08096	6.3
122.05957	2.5
122.09579	1.0
124.03920	0.9
124.07507	2.0
127.03838	1.3
136.07558	6.2
138.09116	12.8
148.07616	2.6
148.08606	0.6
150.05399	0.7
150.09062	2.0
152.06989	2.1
152.10652	0.9
162.09045	0.9
164.06967	2.0
166.07278	1.0
166.08601	13.8
168.10143	0.6
172.03856	1.3
176.10696	0.8
180.10135	1.0
190.04865	0.8
192.12921	0.6
194.08064	1.5
196.09682	1.0
197.10684	1.4
199.12233	0.5
204.06482	0.8
209.10658	0.9
210.11311	1.0
211.12224	0.9
212.09361	1.1
213.10153	0.9
220.10071	0.7
223.08607	1.2
223.12132	0.6
224.09396	1.2
225.10081	3.4
227.11589	1.6
233.10649	1.2
235.08611	2.4
235.12259	1.0
236.09309	1.8
237.10193	9.9
238.10899	2.1
239.08064	1.9
239.11714	4.5
240.12460	0.9
241.09610	1.3
245.12604	0.9
247.08505	1.0
248.09250	2.3
249.10197	8.3
250.10959	3.7
251.08177	3.2
251.11705	7.5
252.08887	1.3
252.12398	1.8
253.09662	6.0
253.13441	0.7
254.10370	1.5
255.11121	1.7
259.14127	1.0
261.10260	5.4
262.11014	1.2
263.08081	0.9
263.11783	6.6
264.08923	0.8
264.12143	1.3
265.09695	11.7
265.12759	1.0
266.10352	3.1
267.11227	8.9
268.11963	1.3
269.09158	1.4
269.12814	1.5
271.10641	2.3
276.08835	0.7
277.09760	3.1
278.10434	6.1
279.07593	5.5
279.11194	14.8
280.12015	3.2
281.09116	3.6
281.12775	2.5
282.09860	1.8
282.13211	1.0
283.10736	9.3
283.13977	1.1
284.11404	0.9
285.12292	1.6
287.13867	2.3
289.09637	9.9
290.10175	1.5
291.11224	3.5
293.09134	4.2
293.12766	6.4
294.09955	7.2
294.13174	0.8
295.10715	5.5
296.11575	5.0
297.12317	3.0
298.09479	0.8
299.10211	2.2
302.04346	0.8
303.04559	1.0
304.04657	0.8
305.09058	0.6
306.09860	1.9
307.10638	3.5
308.11447	2.0
309.12241	4.4
310.12906	1.2
311.10199	9.4
311.13855	3.5
312.10941	4.6
313.11792	4.3
314.12665	2.6
317.06140	4.4
317.09579	1.1
318.06784	7.6
319.07123	5.9
320.07410	3.3
321.08621	1.1
321.12207	1.3
323.10187	2.3
323.13895	3.0
324.10983	3.5
325.11679	2.4
326.12503	6.2
327.13327	11.4
328.13998	1.1
335.10196	15.7
336.10831	1.3
337.08005	0.6
337.11792	2.4
339.13333	74.6
340.10251	5.0
340.14032	2.6
341.11182	2.0
341.14951	0.7
346.15204	0.6
352.10352	2.0
353.11243	2.3
354.12064	8.0
355.12796	20.1
355.17151	1.1
356.13409	0.7
367.12845	46.1
368.13214	2.1
370.46469	0.6
373.13647	0.6
386.14868	1.0
399.15536	1.3
403.24976	0.6
418.17441	0.7
432.19147	1.0
436.12332	0.7
448.17883	1.4
451.21207	1.0
460.18747	3.0
474.20566	1.0
478.19751	0.7
479.20578	4.2
488.18109	16.5
489.18695	1.3
492.21143	7.4
494.22800	0.9
502.20154	0.8
506.19009	2.3
517.18195	2.6
520.20715	100.0
521.21027	5.7
525.21191	0.6
538.21649	1.1
552.23322	7.6
632.22369	0.9
650.23480	4.2
664.25055	1.9
682.25922	77.1
683.26379	4.5
714.28705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95518	0.3
55.01800	0.3
55.08673	0.3
57.03377	0.3
57.12965	0.3
58.46915	0.3
67.05431	0.3
69.03332	1.4
70.06487	1.0
71.70116	0.4
72.08091	0.3
74.14531	0.3
79.05418	0.5
80.04922	0.3
81.03311	1.0
82.06489	0.3
84.08048	0.4
85.02874	3.1
85.17871	0.3
86.09688	1.4
87.00769	0.7
91.05399	0.5
93.06943	1.3
94.06566	1.6
95.04833	0.3
95.07238	0.8
95.08529	0.4
96.08109	2.5
97.02782	1.3
99.04356	0.9
105.01767	0.8
105.06916	0.3
108.04387	0.3
108.08089	2.7
109.02848	1.5
109.10091	0.5
110.05933	0.3
110.09660	4.0
120.04344	1.4
120.08067	3.3
121.06440	0.5
122.05896	0.8
122.09542	0.9
123.04332	0.5
124.07543	1.4
127.03889	2.2
136.07530	3.7
137.02199	0.4
137.09465	1.0
138.09105	5.9
140.07008	0.3
145.04886	0.5
146.05911	0.7
148.07455	1.2
150.09007	1.0
151.03877	0.4
151.06169	0.6
152.07108	1.4
152.10565	0.9
153.01723	0.4
159.02869	0.4
162.09029	0.3
163.03874	0.5
164.06946	0.9
165.08989	0.8
166.08609	8.9
168.10065	0.3
172.03822	0.9
177.07739	0.3
180.10143	0.6
182.11769	0.6
190.04832	0.5
192.10004	0.4
194.08080	1.6
196.09593	0.7
197.10600	0.4
201.11076	0.8
204.06410	1.2
208.09500	0.3
209.10602	0.7
211.08661	0.4
211.12202	0.5
211.51103	0.3
212.09239	0.9
213.10085	0.8
221.10553	0.4
223.08508	0.6
223.12161	0.7
224.09364	0.6
225.10156	2.0
226.10742	0.6
227.11638	1.2
231.05000	0.5
235.08551	0.9
236.09178	1.2
237.10156	4.2
238.10835	1.1
239.08051	1.2
239.11696	2.1
241.09499	1.0
245.12622	0.7
246.29358	0.4
248.09209	0.8
249.10158	3.6
250.10931	1.6
251.08113	1.9
251.11719	4.3
252.08952	0.7
252.12407	1.2
253.09697	3.1
253.13141	0.7
254.10312	0.5
255.11139	0.8
257.12527	0.3
258.04727	0.3
261.10110	1.2
262.10880	0.6
263.11768	2.1
265.07037	0.4
265.09674	6.4
266.10205	1.2
267.08170	0.4
267.11179	3.7
268.11789	0.6
269.09058	0.4
269.12701	0.5
270.09763	0.4
271.10809	1.6
273.05927	0.5
276.08765	0.4
277.09695	1.8
278.10406	2.8
279.07541	2.4
279.11145	6.7
280.08093	0.5
280.11926	1.2
281.09082	1.8
281.12619	1.3
282.09824	1.0
283.07800	0.4
283.10736	5.0
283.13739	0.7
284.11249	0.4
285.12146	0.8
287.13794	2.5
288.10519	0.4
289.09537	3.3
291.11148	1.2
292.11459	0.5
293.09067	2.1
293.12704	3.0
294.09985	3.2
294.13071	0.5
295.10727	2.5
296.11554	1.9
297.08728	0.6
297.12167	2.1
298.09384	0.5
299.10315	1.7
299.13214	0.4
301.12137	0.3
303.05008	3.4
304.05283	3.2
306.09735	0.8
307.10675	1.6
308.11392	0.8
309.12103	1.6
311.10126	4.8
311.13773	1.5
312.11038	2.3
313.11774	2.4
314.12735	1.4
315.13470	0.4
317.09009	0.5
319.10785	0.3
321.12030	0.6
323.10068	1.3
323.13858	1.2
324.10910	1.4
325.11765	1.7
326.12589	3.5
327.13333	6.8
330.15894	0.4
335.10165	4.6
337.11700	1.4
339.13327	34.4
340.10403	0.8
340.14005	1.9
341.11032	0.5
341.14825	0.4
343.12872	0.4
344.13864	0.5
352.10397	0.9
353.11090	1.5
354.12115	3.0
355.12814	7.8
356.13278	0.7
357.14346	0.4
367.12799	14.8
368.13269	0.7
369.14569	0.5
371.12109	2.0
371.16193	0.8
372.12857	0.6
374.14600	0.4
385.13779	0.5
386.14700	1.4
387.15393	1.4
390.18250	0.4
399.15485	4.2
400.16446	0.5
436.18347	0.5
447.17856	0.7
451.21130	0.9
452.21634	0.4
460.18582	0.9
461.19858	0.4
474.20740	0.4
479.20425	2.2
488.18073	1.8
492.21201	2.5
502.19635	0.4
520.20734	13.1
552.23303	100.0
553.23578	6.9
682.26324	1.5
714.28552	10.7
714.40643	0.5
715.28613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	15.3
55.94423	4.6
57.03416	11.6
57.87009	5.5
62.09631	5.3
62.70256	5.3
67.05493	60.4
69.07070	26.1
71.04973	6.2
71.67898	6.7
79.05474	38.7
81.07046	63.6
86.09682	31.3
91.05477	28.9
93.07017	47.7
95.04926	9.7
95.08584	50.0
101.00214	5.8
105.07018	29.7
107.08578	29.2
109.10122	19.5
114.53934	5.9
114.55650	4.8
117.06934	6.3
119.08564	29.4
121.10104	24.4
123.11691	7.8
124.99977	17.1
131.08510	14.9
133.10092	13.4
135.11617	14.1
145.10152	9.2
147.11662	22.6
149.13220	9.4
157.10133	5.9
159.11639	12.6
161.13197	8.4
165.12833	8.2
171.11646	9.1
173.13211	10.1
175.14711	5.3
184.07327	100.0
187.14883	6.1
211.19855	5.2
218.29988	4.7
229.14316	15.1
239.16397	22.3
254.98447	5.7
259.20554	7.0
261.22192	7.3
307.51855	5.7
333.24078	9.6
335.25790	47.6
407.33258	9.9
425.33917	16.4
443.35309	8.6
489.35556	10.0
499.37585	26.8
517.38995	67.4
696.39783	6.7
714.61261	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	714.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31059	7.1
53.03954	6.2
55.05495	27.9
57.03421	21.3
67.05492	73.6
69.07050	24.0
79.05473	54.4
81.07044	100.0
83.08601	16.0
86.09687	20.7
91.05475	42.9
93.07023	59.1
95.04977	7.8
95.08588	60.4
97.06520	12.3
103.56878	6.8
105.07009	54.2
107.08585	45.5
109.10152	24.5
119.08561	29.0
121.10125	28.3
124.99980	11.8
131.08563	23.3
133.10132	23.5
135.11682	18.5
145.10092	24.2
147.11670	23.5
159.11694	13.5
161.13206	9.3
164.56313	6.8
165.12770	12.3
171.11688	9.9
184.07315	71.7
193.96956	8.0
199.48827	7.0
229.14302	9.9
230.17877	6.5
239.16429	17.9
241.18022	9.8
269.23431	6.6
335.25757	43.7
425.34210	9.9
443.35156	10.0
489.35376	7.7
499.37869	32.7
517.38910	63.0
518.40375	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	714.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05503	4.4
56.05036	3.1
56.05281	0.7
57.07070	2.8
58.06573	0.6
60.04521	2.3
65.03937	0.5
67.05494	10.0
68.05003	0.8
69.03407	0.8
69.07053	5.8
69.51154	4.1
70.06569	1.7
71.08595	1.2
71.18347	0.4
79.05484	6.9
80.05000	2.4
81.03386	1.1
81.05765	1.2
81.06604	0.6
81.07041	8.3
82.06562	5.7
83.08595	4.3
85.02876	1.4
85.10159	0.7
91.05460	7.5
93.05744	0.5
93.07023	8.5
94.05974	0.8
94.06550	13.9
95.04984	1.0
95.06886	0.6
95.07347	5.8
95.08591	6.6
96.08114	4.5
97.02859	0.7
97.06509	0.8
97.10140	2.3
105.06995	4.3
107.08559	4.3
108.08090	2.6
109.02866	0.5
109.10154	2.7
111.11678	0.7
119.08566	4.2
121.10114	4.8
122.09656	2.0
123.11662	1.3
133.10085	3.4
133.44444	0.4
135.10341	0.4
135.10669	0.5
135.11652	3.6
136.11154	0.6
147.11665	1.0
149.13220	0.8
151.14801	0.6
161.13176	0.6
163.14848	0.7
163.84755	0.6
219.20964	0.5
233.22618	3.7
234.22124	0.6
245.22659	4.4
250.25272	7.6
254.24596	1.2
262.25256	100.0
263.25705	4.0
264.26752	0.5
272.25797	4.2
280.26248	6.7
314.26794	0.8
443.84290	0.4
504.47699	5.0
516.47681	27.2
517.47955	2.3
518.49194	4.0
534.48730	14.4
535.48663	1.2
696.53955	2.9
707.91388	0.5
741.17377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	6.6
69.03387	0.9
70.31423	3.5
72.58669	0.6
73.38969	0.6
78.02837	0.6
82.29443	0.6
82.54955	0.7
84.96020	2.8
85.02899	1.1
91.56120	0.8
97.02858	0.9
98.97562	24.2
110.47278	0.7
110.97533	5.9
112.99102	21.9
113.46175	0.7
116.98600	13.7
128.98587	9.9
131.00145	35.7
134.99603	3.3
135.04390	1.6
139.03874	1.6
140.98631	0.9
143.00140	2.6
145.01755	1.1
146.99605	5.5
149.01183	23.2
151.00691	1.2
152.98540	1.9
154.01674	1.0
157.00668	0.8
158.99615	10.0
160.01289	2.0
161.01175	4.2
163.03897	4.4
167.02240	2.1
169.01857	1.4
170.99634	8.4
173.01201	16.8
173.02727	1.5
175.02782	2.5
177.00668	7.3
181.01736	1.1
182.99646	2.5
187.02715	1.2
189.00700	7.6
190.02299	0.8
191.02237	16.8
193.03786	7.5
195.01793	0.9
196.02263	0.9
200.02339	0.8
201.00638	11.4
201.02470	0.9
203.02234	1.5
205.03835	1.3
207.01756	1.5
209.01173	1.8
209.03026	0.9
211.02953	1.5
211.04883	5.1
213.00787	1.0
214.03839	1.4
217.03839	0.9
219.01727	29.0
221.03331	0.8
227.02261	1.2
229.00319	0.8
231.01756	1.3
232.03441	1.6
232.53780	0.7
233.03343	6.1
235.04762	1.4
237.02779	37.3
242.03252	1.1
243.01808	2.7
255.03885	3.1
257.03391	0.8
258.12732	0.8
260.04327	1.1
261.02744	10.5
263.04260	3.5
273.02771	1.0
275.04266	8.3
277.05933	1.2
279.03827	7.6
281.05389	7.1
291.03732	2.1
292.05487	3.7
293.05417	12.8
313.05969	0.8
316.06995	1.0
319.06821	0.9
321.04810	3.7
333.05118	0.8
337.07974	60.4
338.08197	2.1
351.05768	1.8
355.09042	53.3
356.09360	1.2
373.05652	100.0
374.06027	2.8
378.10602	2.2
397.10101	43.2
398.10550	1.4
399.08109	2.2
416.99390	1.1
417.04605	13.4
427.11066	2.6
435.05872	2.2
457.12347	4.2
466.29147	0.9
499.13217	1.5
509.10703	1.3
517.14215	1.1
679.19012	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	716.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01861	4.7
55.05498	22.0
57.03419	11.0
59.04987	4.2
61.02904	3.4
65.03915	2.7
67.05489	87.4
68.05842	0.8
69.03422	7.0
69.07053	21.6
71.04967	3.5
79.05475	19.5
81.03406	4.2
81.07037	23.9
83.04953	2.9
83.08165	1.1
83.08603	11.7
85.02874	2.5
85.06501	3.4
91.03928	1.8
91.04921	1.2
91.05460	17.3
93.07021	15.7
95.04921	7.3
95.08586	11.3
97.02873	10.7
97.06489	1.5
97.10154	8.6
98.21464	2.0
101.76380	0.7
101.97256	0.8
105.07005	11.0
107.04929	5.5
107.08561	10.9
108.66702	0.8
109.06501	3.9
109.10130	66.5
110.10433	0.8
111.04443	1.0
111.08070	4.1
115.05464	1.3
117.06992	4.7
119.04922	1.2
119.08545	12.8
121.06478	3.1
121.10139	5.0
123.08057	2.8
125.09611	7.2
129.06982	2.6
131.08534	7.7
133.06467	3.3
133.10104	7.2
135.07991	3.2
135.11661	2.0
135.22011	0.9
137.09592	4.8
143.08502	3.8
145.10104	3.9
147.07001	0.8
147.07977	4.7
147.11630	2.8
149.09584	2.1
149.13295	1.5
151.11198	1.2
155.10626	3.0
157.10110	1.9
159.08096	0.9
159.11679	2.2
161.09526	2.5
163.11143	1.5
165.09064	1.1
171.11638	1.7
173.11705	18.8
175.11189	1.8
184.07272	1.7
184.62799	1.0
189.09711	0.8
189.11087	4.4
205.12244	2.0
211.13293	1.4
223.13249	16.7
227.12752	4.5
229.14301	74.8
230.14618	1.4
245.18965	1.4
249.14828	3.1
253.14328	4.7
255.17369	1.0
263.19962	1.2
273.18457	12.1
291.19479	92.7
292.19800	3.1
347.22122	2.7
365.23157	39.7
366.23712	1.0
421.25378	1.6
425.25259	1.5
439.26700	3.2
483.37207	1.0
501.31683	2.4
511.84698	0.9
519.33075	100.0
520.33295	4.7
537.34259	1.1
547.70892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.9
53.03941	10.8
55.01859	23.9
55.05278	2.1
55.05504	28.7
57.03424	10.7
57.07055	2.6
65.03918	5.8
67.05136	3.6
67.05492	64.7
69.03416	11.0
69.07054	34.7
69.75779	1.8
70.87958	5.7
70.90936	1.8
71.04971	5.9
73.02921	2.0
79.05477	73.7
81.03401	33.2
81.07042	74.4
83.04963	17.3
83.08608	9.2
85.02896	12.7
85.06547	2.3
91.05461	89.2
93.07032	55.5
95.01321	9.4
95.04949	30.4
95.07993	3.6
95.08583	45.9
96.95792	2.0
97.02866	6.5
97.06514	46.2
97.10136	5.9
99.04386	3.8
99.14739	2.2
103.05445	6.1
105.03387	2.5
105.07012	100.0
106.07343	2.9
107.04944	28.6
107.08581	26.8
109.02859	7.4
109.06474	8.8
109.10159	9.3
111.08074	6.1
115.05410	5.9
117.06998	33.1
119.04958	3.3
119.08559	51.9
121.06478	7.3
121.10105	12.8
123.04392	4.8
123.08043	8.3
123.11621	3.1
125.09597	3.4
127.03869	6.3
128.06174	3.4
129.05461	2.2
129.06975	17.2
131.04897	3.6
131.08543	32.6
133.06467	8.0
133.10106	48.8
135.08023	5.5
135.11662	10.3
137.05962	2.0
137.09604	2.5
139.07515	3.5
141.06969	4.3
142.07742	2.8
143.08569	15.5
145.06450	9.8
145.10092	26.9
147.08054	5.0
147.11649	26.3
149.09610	9.2
149.13245	5.6
152.55238	2.1
155.08525	6.5
157.06500	2.6
157.10120	12.5
159.08076	8.1
159.11644	19.7
161.05991	2.7
161.09592	5.8
161.13217	13.0
161.56763	2.0
163.03854	2.7
163.11151	9.0
165.09039	2.4
167.08510	3.0
169.10059	5.7
171.08018	2.8
171.11679	12.9
173.04411	8.4
173.09575	2.8
173.13264	7.5
177.12703	5.3
179.14255	16.9
181.10199	2.5
183.11646	5.3
185.09613	5.4
185.13283	5.2
187.11185	6.8
187.14948	2.1
189.12743	5.3
197.13240	6.0
199.14700	2.4
207.11740	2.4
207.13765	5.9
209.13153	2.7
211.11133	2.0
211.14720	2.6
215.14262	2.6
219.13751	2.2
229.19508	2.3
239.18013	3.2
241.16023	3.9
245.15297	2.5
251.14133	4.1
257.18964	6.1
259.17053	2.6
259.20456	2.8
269.15295	6.8
275.20023	97.1
276.20413	4.0
279.15869	12.9
281.17444	7.8
287.16351	9.5
293.21008	5.2
305.17517	2.7
349.23639	35.3
350.23694	2.1
351.17899	4.2
361.19864	2.7
407.20602	3.4
408.89966	1.8
425.21701	9.4
483.30725	2.6
537.35779	7.4
555.36700	41.3
556.36969	3.3
599.93799	2.0
621.46997	2.0
635.38947	5.2
647.22229	2.6
699.40302	11.2
717.45941	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	717.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	10.8
54.50369	2.8
55.01857	11.0
55.05510	34.4
57.03429	15.2
65.03929	8.2
67.05135	5.0
67.05495	100.0
67.61983	2.5
69.03428	24.5
69.07049	22.8
71.04977	11.7
71.69582	4.9
73.02886	5.4
74.18198	2.3
79.05482	79.0
81.03417	47.0
81.07046	76.8
82.07369	3.9
83.04971	18.6
83.08595	13.5
84.74786	2.5
85.02884	15.7
85.06527	7.0
91.05463	94.3
91.33572	2.9
93.07033	80.1
95.04967	27.3
95.08597	43.9
97.02869	17.0
97.06515	13.1
97.10124	6.8
99.04417	7.8
105.07014	75.8
107.04939	15.1
107.08576	41.7
109.02856	10.2
109.06509	14.9
109.10138	34.0
110.10464	4.5
111.04442	3.5
111.08080	6.6
115.05463	5.2
117.06998	35.2
119.08564	44.9
121.06471	10.2
121.10125	13.1
123.04403	3.1
123.08034	8.5
123.11707	4.1
125.09585	4.3
127.03899	11.3
128.06197	9.8
129.05469	4.7
129.06979	28.1
131.08551	32.4
133.06480	3.8
133.10121	36.0
134.10422	3.2
135.04526	3.1
135.08063	9.0
135.11653	15.3
137.05942	3.0
137.09607	8.0
141.06985	7.0
142.07735	4.2
143.08565	17.6
145.06471	5.6
145.10114	33.4
147.08046	6.2
147.11656	37.2
149.09619	10.7
149.13246	3.8
151.11151	5.5
153.06931	4.2
155.08528	10.0
156.09357	3.6
157.06407	2.9
157.10136	9.8
159.08052	5.2
159.11707	18.3
161.09573	8.8
161.13222	12.4
163.11176	8.2
167.08560	6.3
169.10092	12.1
171.11653	26.1
173.04439	9.5
173.11885	3.6
173.13243	10.9
177.12851	3.4
181.10092	4.9
183.11711	7.4
185.13191	9.1
187.14789	3.6
189.12770	9.8
193.10156	4.4
195.11667	6.2
197.13234	5.8
205.10194	3.8
207.13820	15.7
216.97005	3.2
221.13155	3.0
229.14296	11.3
230.14581	3.0
239.17860	4.2
247.20442	3.6
253.14299	7.2
254.14656	4.2
257.18912	16.1
259.20078	3.1
273.18460	5.5
275.20053	53.6
279.15924	7.4
281.17395	29.1
291.19507	5.0
292.19754	4.0
293.21121	7.7
308.22977	3.3
348.22635	3.1
349.23694	12.6
366.23328	4.0
371.78125	3.0
383.22601	4.3
401.22571	3.4
407.20300	2.9
426.25781	4.6
445.30875	3.8
520.33698	14.7
537.35645	9.1
555.36597	44.2
556.37567	4.3
663.40033	3.5
681.39294	5.3
699.40271	3.4
717.42352	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	718.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01859	4.8
55.05503	14.1
57.03426	10.3
57.07063	0.8
59.04993	3.8
61.02932	3.9
65.03928	2.1
67.05493	100.0
68.05834	1.5
69.03426	5.3
69.07054	19.2
69.61049	6.7
71.04981	5.0
73.02885	1.3
76.65109	0.8
78.98334	0.6
79.05021	1.5
79.05481	27.7
81.03402	7.7
81.07044	38.9
83.04974	5.9
83.08601	12.7
85.02888	5.4
85.06518	4.7
91.03953	1.1
91.05470	22.9
93.07030	25.0
95.04972	6.0
95.08597	16.8
97.02892	3.0
97.06515	8.1
97.10161	6.4
99.04468	1.6
99.08110	1.6
103.05448	1.0
105.07014	19.2
107.04942	6.1
107.08575	20.9
109.06490	4.0
109.10139	70.1
111.04489	0.7
111.08069	6.1
115.05490	0.9
117.07005	7.8
119.08557	17.3
121.06545	2.8
121.10127	8.0
123.08060	1.5
123.11694	1.5
124.05157	0.8
125.09606	6.4
127.03900	2.5
129.06992	4.3
131.08545	9.3
133.10120	11.4
135.08083	3.5
135.11668	6.6
137.09584	4.9
141.06969	1.3
143.08574	2.5
145.04993	0.8
145.10112	7.6
147.08116	1.1
147.11636	5.8
149.09595	7.4
149.13225	4.5
151.11221	1.6
155.08559	1.3
155.10715	3.2
157.10126	2.0
159.11665	6.9
161.09621	1.0
161.13266	1.8
163.11183	4.7
169.10106	1.7
171.11700	1.9
173.04550	1.2
173.11742	20.3
173.13272	3.5
175.14961	0.7
177.12808	2.5
179.14337	3.0
183.11749	1.3
185.13347	0.9
186.80272	0.7
187.11311	0.8
187.14957	0.8
189.09692	0.8
189.11174	4.4
189.12680	0.9
195.13882	3.5
201.12814	0.7
202.33649	0.7
211.13081	1.0
220.16518	0.8
227.12749	14.5
229.14313	61.8
230.14737	1.3
239.18019	2.4
245.13962	1.1
253.14561	0.8
255.15829	3.5
257.18991	5.9
267.16010	1.7
269.17441	10.3
275.20032	22.3
276.20346	1.6
293.21249	2.2
325.20157	1.6
331.22699	1.8
349.23682	19.2
350.24142	1.5
367.24973	1.3
383.24503	1.0
399.23456	4.1
407.28275	2.4
409.25787	15.9
423.27350	53.7
424.27908	2.5
440.30261	0.9
447.27921	1.1
457.06140	1.1
485.32492	1.0
503.33609	31.6
504.33823	2.0
521.34869	5.0
567.31915	1.6
695.19611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80491	0.5
54.82727	0.5
56.96540	1.3
57.62284	0.6
58.99823	0.6
63.93002	0.5
66.64613	0.6
67.05453	0.7
69.03399	0.9
70.05392	3.1
76.63557	0.5
77.00834	0.5
78.81141	0.5
82.99850	1.7
83.04969	0.7
84.08118	0.6
85.02849	1.1
86.99294	0.6
89.03898	2.3
94.99831	0.8
95.04928	2.3
97.02866	1.2
98.20809	0.5
98.97553	2.2
101.00851	5.7
102.41399	0.5
107.04912	1.1
109.02820	1.1
111.04390	0.7
112.99117	0.6
116.98556	1.2
117.03352	3.3
117.60019	0.6
119.01897	20.1
120.01970	0.9
121.02792	1.2
127.02409	1.8
127.03802	0.9
128.98575	1.0
129.00323	0.7
131.00104	0.6
131.01871	7.6
133.03432	2.1
134.99503	1.0
135.03458	0.9
135.04395	11.0
136.04680	1.0
137.02980	3.4
139.02356	0.5
139.03865	1.1
142.03459	1.0
143.00130	0.8
143.01860	15.6
145.02669	5.0
145.03442	8.7
146.03430	0.7
146.99635	0.7
147.01334	1.9
149.02882	1.2
153.03854	0.5
155.01860	10.0
157.03445	5.9
158.99609	0.7
159.05043	0.6
161.02916	20.0
162.03178	0.8
163.03862	100.0
164.04257	3.0
167.01857	5.6
169.03452	4.8
170.99625	0.7
171.01334	1.1
171.04994	4.2
173.02922	18.5
174.03145	0.6
175.04443	1.7
175.49475	0.6
177.00645	1.2
179.01874	2.7
181.03456	1.5
183.04958	0.6
185.01294	1.5
185.02925	39.7
186.03163	1.8
187.04472	8.6
189.00658	0.7
189.02336	0.6
191.03947	1.2
193.03409	1.6
195.05038	1.8
197.02901	16.4
198.03026	0.9
199.04454	1.4
201.00719	0.8
203.01949	1.8
203.03955	10.2
205.05496	0.6
205.88725	0.5
208.04442	1.0
209.02905	2.1
211.04564	1.2
213.06081	0.8
215.03972	13.4
216.04108	0.9
219.01666	1.7
221.02917	42.1
221.04893	2.2
222.03204	3.3
227.03972	7.9
233.02951	0.6
233.04961	2.9
235.04556	0.8
237.02669	1.9
239.03987	15.0
240.03992	0.7
244.04709	1.4
245.05022	89.6
246.05162	4.8
247.04533	2.1
251.04068	0.7
256.96411	0.9
257.05032	15.8
258.05310	0.9
259.04431	1.7
261.04666	3.3
262.04990	0.6
262.97659	1.0
263.03552	3.7
263.06250	9.3
264.06476	0.7
268.92572	0.6
271.04446	15.6
272.04587	1.3
273.05957	2.0
275.06137	10.7
277.05399	1.8
279.05621	1.3
281.04990	6.3
285.05942	1.6
286.07837	0.9
287.03656	4.6
287.05975	0.9
289.05515	9.5
290.05771	0.9
291.06924	1.2
293.07220	2.8
295.07053	3.3
297.05728	1.0
299.03735	3.8
303.07074	1.4
304.98422	1.6
305.07278	10.2
307.06607	5.5
309.08176	3.3
313.05380	5.4
315.03381	1.8
315.07086	2.1
317.05179	2.2
321.08267	0.8
323.05966	3.4
323.09686	1.3
330.08441	0.6
331.06537	9.5
333.04492	2.6
333.08212	3.3
335.08456	3.0
341.00415	0.7
341.05164	2.0
341.09766	0.7
346.99866	1.0
347.05844	1.2
349.07605	14.4
350.07861	0.9
351.05463	3.4
351.09137	1.1
359.05719	5.6
360.06113	0.7
365.08981	5.3
367.08649	2.3
369.06516	2.5
377.07104	22.9
377.10855	1.1
378.07361	1.8
391.08694	0.8
395.08118	12.0
396.08417	1.3
409.09311	0.7
413.09436	1.3
418.09384	0.8
419.08115	4.9
431.08167	0.6
437.09210	100.0
438.09521	9.4
449.03177	0.7
449.09167	11.8
455.10257	9.7
456.10318	1.0
461.08905	3.5
467.10165	6.2
473.08862	1.3
478.11865	1.3
479.10333	8.5
480.10553	0.8
481.11713	1.5
491.09869	1.9
497.11755	2.9
503.09882	0.7
509.11371	1.4
513.14270	0.8
521.11292	6.0
522.11609	0.8
539.12372	12.9
540.12518	1.9
557.13434	1.8
581.12854	0.9
719.19647	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00483	2.8
53.03938	8.1
53.25622	3.0
55.01851	6.2
55.05503	23.9
57.03424	8.8
61.02911	11.9
65.03921	2.9
67.05495	59.0
69.03426	6.9
69.07053	21.4
71.04983	8.6
73.02898	4.0
79.05476	55.5
81.03414	18.0
81.07045	54.9
83.04972	8.2
83.08604	11.2
83.68018	3.3
85.02887	8.8
85.06546	3.7
91.03949	5.5
91.05457	59.2
91.75629	3.1
93.07029	62.7
95.04946	15.6
95.08591	37.1
97.02888	11.2
97.06507	9.0
97.10166	4.6
105.07011	57.1
107.04917	7.2
107.08573	22.3
109.02837	3.5
109.06514	8.0
109.10129	13.8
111.08080	4.3
117.07005	17.9
119.08553	45.9
121.10141	16.4
123.08057	10.9
128.06184	4.6
129.06996	11.9
131.08542	29.7
133.10123	32.3
135.07999	4.0
135.11656	14.9
137.09612	2.9
141.06944	4.1
143.08531	18.0
145.10126	23.4
147.11658	31.8
153.06868	3.2
155.08534	8.9
157.10091	16.7
159.11624	15.0
161.09570	4.4
161.13242	16.3
167.08597	4.6
169.10056	15.5
171.11678	28.3
173.13188	14.9
175.14844	10.0
177.12691	5.1
179.14351	3.1
181.10083	14.0
183.11681	12.3
184.07254	3.9
185.09529	3.0
185.13203	11.3
187.14799	7.1
189.12730	8.5
191.10542	3.3
193.10168	6.4
194.22403	3.2
195.11633	8.7
197.13237	10.5
199.14839	8.5
207.13805	5.8
209.13280	8.5
211.14865	4.6
219.17372	6.2
223.14795	5.8
231.21071	6.2
235.14781	3.6
237.16411	3.8
241.19551	12.1
249.16508	4.2
257.18869	4.3
259.20526	31.0
275.20050	15.2
279.15982	9.7
281.17358	28.0
315.23148	4.5
321.22104	4.3
333.24368	14.2
368.03580	2.9
437.34189	9.3
447.32498	16.5
465.33868	16.2
465.40048	2.9
483.34589	6.9
501.35608	3.4
521.35822	9.3
529.38953	6.8
539.37213	100.0
557.38251	62.3
701.42560	14.1
719.42682	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	719.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	11.1
53.46780	2.2
55.01860	14.3
55.05272	2.8
55.05503	35.3
57.03416	9.4
57.07053	4.3
59.39482	2.2
61.02922	12.6
61.03191	2.4
65.03922	4.6
66.53310	2.2
67.05495	87.2
69.03424	11.9
69.07053	33.4
70.76234	8.6
71.04982	17.9
73.02912	6.3
79.05479	88.5
79.63688	2.7
81.03399	26.1
81.07043	86.3
83.04955	16.6
83.08610	14.7
83.23734	2.8
85.02890	15.4
85.06505	4.2
91.03955	4.1
91.05463	92.3
93.07031	82.8
95.01290	6.8
95.04958	23.7
95.08593	55.1
97.02856	15.7
97.06507	16.3
97.10172	3.3
98.20746	2.8
99.04398	4.6
99.08057	3.2
105.06336	5.6
105.07014	88.0
107.04917	15.2
107.08588	31.0
109.02869	8.2
109.06496	8.0
109.10139	18.8
115.05413	5.3
117.06989	25.1
119.08573	61.9
121.06517	4.6
121.10131	21.2
123.08031	7.3
123.11648	9.2
127.03896	4.2
127.07443	3.2
128.06197	5.7
129.06992	25.1
131.08539	38.6
133.09178	4.3
133.10106	56.8
135.08000	5.6
135.11646	14.4
137.09607	5.6
141.06934	6.2
142.07712	4.6
143.08549	24.9
145.06427	2.9
145.10091	37.4
147.08044	4.5
147.11662	44.2
149.09618	3.6
149.13202	11.3
151.11179	3.9
155.08527	11.6
157.10089	22.4
159.11670	34.1
161.09596	4.9
161.13243	25.4
163.11205	3.6
167.08505	8.1
169.10056	19.4
171.11647	30.9
173.04449	4.5
173.11914	3.6
173.13214	17.7
175.14812	9.2
177.12737	4.8
179.14278	12.7
181.10074	8.7
183.11679	17.2
185.13214	15.7
187.14772	8.2
189.12653	7.0
195.11626	9.6
197.13173	10.2
199.14771	6.7
207.11879	4.1
207.13785	10.9
209.13210	9.9
211.14777	6.2
213.16325	6.4
221.13148	3.0
223.14815	5.6
237.16336	3.9
241.19553	15.1
249.16219	3.2
257.19031	5.7
258.10449	2.6
259.20554	30.8
261.22104	3.8
275.20020	50.0
276.20261	3.3
279.15851	7.7
281.17416	29.0
315.23215	4.3
321.21835	4.4
333.24185	20.0
353.24500	5.7
363.79037	3.0
437.33997	9.4
437.89993	2.6
438.47806	3.0
447.32706	15.1
465.33401	17.0
483.34555	8.8
517.34747	5.0
521.36249	10.5
529.38452	9.5
531.36279	3.1
539.37286	100.0
540.37549	6.2
557.38263	60.1
558.38342	5.7
674.93921	3.1
687.40533	3.7
701.42133	13.3
719.43378	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	720.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.0
53.03933	2.6
55.01872	2.3
55.05500	7.3
56.59898	0.7
57.03426	6.4
65.03922	1.2
67.05135	1.2
67.05496	23.7
69.03405	1.8
69.07061	5.8
71.04975	2.7
71.05344	0.7
79.05480	31.9
81.03404	42.2
81.07044	19.1
83.04971	7.6
83.08610	10.4
85.02886	1.7
85.06523	1.9
91.05469	29.9
93.07030	32.5
95.04952	21.8
95.08588	11.3
97.02889	1.4
97.06519	2.8
97.10155	2.2
98.21088	3.8
105.07011	21.3
107.04935	4.5
107.08581	8.9
109.02874	1.2
109.06490	4.8
109.10159	2.3
111.04424	1.5
111.08060	5.0
117.06989	4.2
119.08560	15.7
121.06499	3.1
121.10133	2.6
123.08076	3.8
125.09590	0.8
128.06198	1.5
129.06984	12.0
131.08546	5.9
133.06490	2.4
133.10104	7.1
135.11667	1.0
142.07797	1.2
143.08557	3.3
145.10065	5.9
147.08055	2.5
147.11668	17.9
149.09637	2.1
157.10077	4.7
161.09634	2.2
161.13239	4.2
163.11169	1.1
165.12781	1.0
166.11052	0.8
171.11632	10.5
175.11215	4.9
189.11235	0.8
189.12662	4.4
193.12204	8.8
207.13754	10.3
211.13313	1.4
222.74792	0.8
225.14925	0.7
249.14978	1.9
267.15875	38.5
281.17435	39.6
282.17886	1.0
381.24182	1.0
447.26746	0.9
455.27966	0.9
473.28937	100.0
474.29343	3.3
491.29733	1.5
515.30017	2.2
532.61536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
54.04194	3.4
55.01860	16.5
55.05509	43.7
55.07208	3.1
57.03436	22.7
57.03665	3.9
57.07067	4.1
59.70268	3.6
61.02914	9.9
62.82201	3.2
65.03935	4.7
65.35847	3.2
67.05135	6.8
67.05495	99.9
69.03426	30.0
69.07053	37.3
70.06584	3.2
70.75566	3.4
71.04979	20.8
71.66207	3.2
73.02906	7.7
79.05485	91.3
81.03404	91.6
81.07037	100.0
83.04978	34.0
83.08593	30.4
84.08134	5.4
85.02881	33.8
85.06532	8.7
88.69981	3.7
91.03909	4.8
91.05463	76.8
93.07025	67.8
95.04961	42.3
95.08586	60.4
97.02885	29.1
97.06509	24.6
97.10154	15.5
99.04444	12.1
99.08083	8.5
105.07011	62.8
107.04934	29.8
107.08586	50.5
109.02892	17.9
109.06519	13.4
109.10127	25.6
111.04433	8.7
111.08057	11.2
115.05437	4.9
117.06996	25.7
119.08558	56.4
121.06483	11.2
121.10115	33.6
123.08029	13.8
123.11681	11.4
125.09600	15.8
127.03900	13.6
128.06158	6.3
129.06969	20.4
131.08543	36.3
133.06454	5.5
133.10107	37.4
135.08014	11.2
135.11667	14.3
137.09653	8.0
141.06935	8.2
142.07762	5.0
143.08533	12.2
145.06485	6.4
145.10092	26.0
147.08044	9.5
147.11652	31.7
149.09604	27.0
149.13213	8.4
151.11105	4.4
153.07028	4.0
155.08565	3.9
157.10095	24.6
159.11691	23.4
161.09583	6.6
161.13219	6.9
163.11180	14.7
165.12756	4.6
167.08582	3.7
169.10121	6.3
171.08003	5.2
171.11673	14.5
173.04434	13.1
173.09543	6.3
173.11861	4.7
173.13274	11.4
175.11172	13.0
175.14882	3.7
177.12621	5.1
181.10127	4.2
183.11636	5.4
185.09494	6.5
185.13251	8.7
187.11186	8.8
189.11133	4.4
189.12743	5.3
193.10657	5.1
193.12213	33.7
195.11627	4.3
196.14113	4.3
197.13202	10.3
199.14789	6.7
203.14322	5.3
205.12209	4.8
211.13235	32.8
211.14929	4.3
227.12738	9.7
229.14233	6.4
229.19382	5.6
239.18066	4.2
247.20528	6.4
257.18994	12.9
259.20770	4.4
267.15875	21.7
269.17380	4.8
273.18466	4.7
275.20004	68.9
285.16910	17.9
291.19516	12.2
293.21118	8.9
311.20215	4.3
313.21652	7.3
331.22543	4.3
335.18808	4.1
349.23691	35.2
365.22723	3.4
429.20999	8.6
449.30078	6.1
523.34259	6.2
531.37140	3.8
541.35236	49.0
541.92102	3.9
559.36182	51.5
667.38159	4.1
685.39075	5.1
703.40192	26.8
721.38025	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	12.1
55.01860	33.8
55.05498	36.3
57.03413	17.7
57.07062	4.3
57.11197	3.8
59.04974	4.2
61.02897	9.9
65.03928	7.2
67.05495	100.0
69.03407	23.5
69.07042	33.4
71.04973	17.2
73.02892	5.3
74.34686	4.2
79.05470	65.4
81.03397	62.7
81.06603	6.8
81.07043	93.8
83.04969	20.7
83.08603	24.4
85.02877	18.3
85.06506	6.0
91.05466	76.2
93.07028	61.4
95.01279	7.1
95.04961	23.6
95.08588	56.6
97.02850	24.0
97.06502	43.1
97.10152	10.8
98.21552	8.7
99.04441	6.5
99.08089	6.5
105.07010	78.2
107.04971	20.0
107.08572	36.8
109.02873	10.9
109.06490	16.9
109.10157	24.6
111.04388	11.6
111.08055	14.8
117.07005	20.3
119.08567	47.3
121.06483	6.8
121.10098	19.3
123.08039	8.1
123.11665	12.1
125.09604	7.4
127.03862	11.8
128.06181	5.9
129.06966	17.5
131.04883	4.6
131.08549	42.3
133.06401	4.9
133.10127	48.6
135.07964	8.6
135.11681	11.6
137.09563	6.6
143.08545	14.8
145.06419	6.1
145.10083	25.3
145.48999	4.4
147.07971	5.2
147.11659	24.0
149.09570	12.2
149.13208	12.0
151.03786	5.1
151.11136	8.3
153.09184	4.3
155.08478	6.5
157.10089	17.8
159.11667	22.6
161.13252	7.0
163.11176	9.2
171.08063	4.8
171.11548	6.7
173.04454	7.1
173.13254	9.6
175.11168	11.5
177.05647	4.1
177.12717	12.0
179.08704	4.3
179.14264	7.6
185.13260	7.5
187.14735	5.1
193.12216	14.5
195.11874	4.6
195.13811	4.1
197.13200	5.1
211.13174	21.7
219.17424	4.1
229.51988	6.0
257.18954	7.0
259.20416	4.9
265.70016	3.7
267.15881	14.1
269.17413	9.0
273.18463	6.6
275.20016	77.3
285.16953	5.1
291.19534	14.9
293.20941	5.0
331.18707	5.7
333.23914	4.4
349.23618	27.1
411.19965	4.8
429.21292	10.3
449.30322	4.3
503.37164	8.6
527.37189	10.1
541.35193	34.4
545.38623	6.2
559.36200	23.7
685.39392	5.5
703.40564	42.9
721.37341	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.01867	40.6
55.05507	28.7
57.03431	14.7
57.07043	1.5
61.02911	3.3
62.49553	1.4
65.03925	4.0
67.05496	63.5
68.99773	1.9
69.03421	17.7
69.07059	31.1
70.04627	8.2
71.04984	10.4
72.71057	1.4
73.02905	2.9
79.05479	48.8
81.03407	84.3
81.07043	68.9
83.04967	26.1
83.08605	23.4
85.02901	13.8
85.06534	4.1
87.04471	1.6
89.88189	1.5
91.03925	2.0
91.05468	72.7
93.07031	50.0
95.01323	7.4
95.04955	29.7
95.08588	36.3
97.02315	2.3
97.02882	23.2
97.06516	55.9
97.10150	7.7
98.21015	3.6
99.04443	4.4
99.08096	3.6
101.02363	1.8
103.05454	3.0
105.07016	79.0
106.07422	1.6
107.04940	24.1
107.07905	2.3
107.08578	26.8
109.02872	10.1
109.06507	10.2
109.10131	15.4
111.04424	7.5
111.08067	10.6
113.05968	2.1
115.05441	3.5
115.68632	1.3
117.07000	16.9
119.08566	51.8
121.06506	8.3
121.10130	20.2
123.04408	4.2
123.08039	6.8
123.11684	4.6
125.09607	5.4
125.50160	1.4
127.03895	9.2
127.07515	2.7
128.06224	1.9
129.05461	3.7
129.06976	11.5
131.04900	1.4
131.08545	33.2
133.06465	4.9
133.10103	49.2
135.08002	7.5
135.11671	7.7
137.09601	6.0
139.03819	2.2
139.07504	2.9
141.06995	4.4
142.07767	2.5
143.08534	6.4
145.06534	3.0
145.10104	23.8
147.08029	5.4
147.11671	22.2
149.09593	15.0
149.13234	6.7
151.11143	3.3
153.58617	1.6
155.08502	4.3
157.10121	13.2
159.07965	2.3
159.11671	15.6
161.09589	2.8
161.13252	8.3
163.07558	1.5
163.11139	8.5
164.16478	1.4
165.09119	3.0
165.12735	3.1
169.10078	3.4
171.11647	5.0
173.04433	3.0
173.09581	1.6
173.13228	4.8
175.11189	9.8
177.12712	5.9
179.14305	13.4
181.10008	2.3
181.12222	3.2
183.11678	4.7
185.13234	2.7
187.11153	3.9
191.10704	1.6
193.12209	28.7
195.11671	1.6
195.13809	2.0
197.13213	4.1
201.12694	2.2
211.11223	2.5
211.13232	36.4
211.15134	2.2
212.13828	1.6
227.12669	3.1
229.14331	3.2
229.19606	2.7
239.17853	2.1
247.20628	4.5
249.14732	3.2
257.19037	8.4
267.15875	34.6
269.17413	2.2
273.18442	3.1
275.20026	100.0
285.16824	7.9
291.19492	3.7
293.21158	8.1
349.23700	39.9
349.27966	2.2
355.17383	3.8
365.23322	1.5
411.20053	4.0
413.17709	2.8
419.18869	1.5
419.24225	2.2
429.21188	36.2
435.26581	1.6
457.25473	1.4
460.07739	1.5
461.28955	1.6
467.31281	2.1
496.26370	1.8
503.37393	2.5
527.37024	1.9
541.35211	59.0
542.35254	1.9
559.36285	20.9
587.25684	1.8
685.39337	1.8
703.28888	2.3
703.40466	37.4
704.40503	2.1
721.37616	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	721.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01862	10.3
55.05499	4.0
57.03426	10.6
57.07054	1.4
59.05000	0.7
61.02914	1.2
65.03952	1.1
67.05494	15.3
68.67535	0.5
69.03424	4.4
69.07053	2.0
70.01272	2.6
71.01347	0.7
71.04980	62.9
72.05321	0.5
73.02908	3.1
75.04471	5.1
79.05479	4.0
81.03406	3.2
81.07046	8.7
83.04970	7.5
83.08597	0.8
84.08163	0.7
85.02892	100.0
85.06530	3.6
86.03230	0.9
86.06059	0.8
87.04447	3.6
91.05462	7.1
93.07027	8.5
95.04955	9.4
95.08606	5.8
97.02872	4.5
97.06520	1.5
99.04449	2.1
101.06026	0.6
103.03921	1.0
105.07005	8.1
107.08578	8.1
109.02872	1.8
109.06494	0.8
109.10136	9.6
111.04423	5.5
111.08033	0.6
113.05994	10.2
115.05400	0.8
117.05473	1.2
117.06989	3.6
119.08553	5.5
121.10126	9.0
123.11694	2.0
125.09578	0.7
127.03882	4.1
128.06187	0.7
129.05458	35.6
129.06862	3.1
131.08546	8.1
133.10110	10.3
135.08035	0.5
135.11662	3.0
139.03821	0.6
141.06998	1.5
142.07762	4.8
143.08537	5.7
144.09224	0.5
145.04927	3.3
145.10075	8.2
145.14867	0.5
147.06502	15.5
147.11665	14.3
149.09616	1.0
149.13239	2.6
153.05426	0.5
153.07108	0.5
155.08524	2.9
156.78792	0.5
157.10106	26.5
158.10497	0.8
159.02914	0.5
159.11674	11.0
161.13258	2.2
163.06041	2.3
163.11133	0.5
165.09123	0.7
169.04993	0.6
169.10150	2.0
171.06641	0.6
171.11658	6.5
173.13208	3.8
175.11224	0.8
177.05431	0.5
181.10220	0.5
183.11693	4.2
185.13206	2.7
187.14799	0.8
195.11777	0.8
197.13248	3.8
199.14803	0.8
205.12273	0.6
206.46268	0.5
211.14813	3.9
213.16408	0.6
215.14131	0.5
223.14996	1.0
224.15594	1.5
225.16440	1.9
238.17236	0.6
251.17938	2.2
253.19479	59.0
254.19833	1.5
255.08672	1.1
255.21094	1.4
259.11661	0.6
269.19012	0.9
271.20523	14.7
273.09677	1.8
283.24194	1.4
291.10782	0.7
300.33032	0.5
309.11826	1.4
341.56760	0.5
377.28308	1.1
395.29480	2.2
399.25269	0.9
407.20709	0.6
413.30676	0.9
415.24982	0.7
417.26370	1.0
433.26154	1.9
557.89899	0.6
559.36102	0.8
575.97778	0.6
579.31494	7.8
703.40778	1.0
721.41455	62.3
722.42090	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	721.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.9
53.03934	7.0
55.01858	5.9
55.05502	24.6
57.03429	13.8
57.07063	5.5
59.04962	1.5
61.02910	4.9
61.13333	1.1
63.16285	1.1
65.03921	5.2
67.05496	78.9
69.03421	16.0
69.07060	23.3
71.01317	1.1
71.04982	26.1
71.43448	2.1
73.02904	3.4
73.06541	1.5
77.03930	2.0
79.05017	2.5
79.05482	52.2
79.40991	0.9
81.03410	33.2
81.07047	100.0
83.04976	10.5
83.08610	11.6
85.02892	11.1
85.06532	8.4
91.03963	2.6
91.05469	55.9
93.07030	58.6
95.04969	13.3
95.08594	34.4
95.09200	2.1
97.02886	14.0
97.06505	9.6
97.10167	4.9
99.04447	4.1
99.08071	2.8
101.05978	1.3
103.05457	2.2
105.07018	50.6
107.04961	5.6
107.08578	32.6
109.02862	4.7
109.06532	6.7
109.10138	16.5
111.04420	4.0
111.08077	3.7
113.05983	1.7
113.09626	1.2
115.05437	3.5
117.07008	19.2
119.08563	32.7
121.06479	4.2
121.10123	20.8
123.04415	1.4
123.08052	4.6
123.11686	12.2
125.09634	3.5
127.03889	5.6
127.07484	1.1
128.06210	4.2
129.05507	2.7
129.06972	16.1
130.07762	2.1
131.04846	1.1
131.07549	1.1
131.08551	29.1
133.06456	3.1
133.10112	34.5
134.10425	1.4
135.08043	4.3
135.11682	14.3
137.09641	2.3
137.13257	1.9
139.11153	2.3
141.06992	5.6
141.56192	1.0
142.07762	3.7
143.08530	14.6
144.09375	1.1
145.06482	2.8
145.10095	23.8
147.08055	2.9
147.11668	24.0
149.09634	5.7
149.13223	7.7
151.11136	5.4
153.06830	1.1
153.12697	2.0
155.08546	9.4
156.09183	1.5
157.10080	16.6
159.08043	2.8
159.11661	21.2
161.09633	2.7
161.13234	10.6
163.11136	3.4
163.14758	3.2
165.06950	1.6
165.12766	2.6
167.08499	4.1
169.10059	9.1
170.10817	1.0
171.08012	1.9
171.11665	12.5
173.04419	13.8
173.09665	2.7
173.13228	12.6
175.11182	5.0
175.14807	3.9
177.12743	3.3
179.08525	1.9
181.10101	5.8
183.07957	1.1
183.11633	7.3
185.09723	1.3
185.13190	9.5
187.11115	1.7
187.13217	4.2
187.14842	6.0
189.09058	1.3
189.12732	1.9
192.09282	1.2
193.10172	1.4
193.12230	4.5
195.11678	4.2
197.09569	1.6
197.13243	6.0
199.11093	2.1
199.14854	3.4
201.12697	1.6
201.14651	1.9
207.11780	1.9
209.13255	5.0
211.11301	1.5
211.13095	2.4
211.14870	4.6
213.12656	1.6
213.16402	2.4
215.14351	1.4
215.17937	1.8
217.15738	1.2
221.13257	2.4
223.14827	2.5
225.12794	2.5
225.14838	3.1
227.14424	1.8
227.16391	2.6
229.14227	1.2
231.21147	1.2
237.16400	1.7
239.14299	1.7
239.17918	2.7
241.19746	5.3
243.15710	5.8
243.21059	3.0
245.19121	1.3
248.83899	1.2
251.18051	1.5
255.21230	1.4
257.17130	2.1
257.19333	2.1
259.20724	12.0
261.22079	6.6
267.15927	3.2
269.17480	3.4
271.20477	2.0
273.18527	2.8
275.19968	5.0
283.20621	2.0
285.22241	3.0
291.19684	2.4
295.20325	1.5
299.23721	1.4
301.20407	1.5
313.21631	2.4
315.23120	2.3
317.24826	3.0
333.24323	6.9
335.25708	4.0
339.17908	1.5
339.23102	2.6
341.24680	2.6
349.21277	2.4
351.23135	3.0
365.23209	1.2
367.22482	4.6
369.24365	1.8
385.23615	1.9
387.25171	1.7
393.31320	2.3
409.31015	1.6
411.32541	2.8
413.22006	2.2
417.31152	1.4
426.28616	1.3
429.33368	1.3
435.32556	5.0
441.26068	1.7
445.24286	4.0
485.36426	2.1
501.35657	20.2
503.37253	60.0
504.37344	3.9
509.36258	1.8
525.35815	1.4
527.37323	36.3
528.37396	1.3
533.38043	3.3
541.34949	3.1
545.38000	2.4
559.39063	4.4
627.38507	1.8
635.39001	2.3
653.40057	4.6
667.41473	3.4
671.41125	2.7
685.42084	3.2
689.42554	11.6
703.42700	4.7
708.56671	1.3
721.45007	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	721.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	18.5
57.03411	8.3
67.05491	61.7
69.03400	4.9
69.07047	17.0
71.69717	4.9
71.70152	8.2
73.06553	5.5
79.05482	65.0
81.03388	8.6
81.07038	56.8
83.04977	13.8
83.08597	11.2
91.05002	5.2
91.05473	47.7
93.07018	64.1
95.02358	4.2
95.04956	13.0
95.08604	35.6
97.06506	8.9
105.07014	43.6
107.04931	5.1
107.08560	23.7
109.10130	11.8
117.06976	9.8
119.08553	24.3
121.10133	15.6
129.06998	7.4
131.08553	9.0
133.10155	11.9
135.11670	12.5
145.10069	12.6
147.11676	25.4
149.13274	4.9
159.11714	5.4
161.13322	8.7
171.11687	14.2
184.07317	4.9
195.41850	4.7
207.13799	19.5
261.22070	6.1
281.17352	30.9
335.25797	52.2
337.12781	5.2
351.32059	4.6
541.38818	100.0
658.51801	5.6
708.92188	5.5
718.06915	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	721.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.05505	16.8
57.03413	7.8
65.03924	3.4
67.05495	50.9
69.07061	16.1
79.05477	55.2
81.03392	6.5
81.07042	44.9
83.04969	10.3
83.08592	7.4
91.05463	44.8
93.07030	53.8
93.87098	3.8
95.04938	15.0
95.08592	33.8
95.09132	4.5
97.06498	3.6
105.07008	31.3
107.04932	5.2
107.08569	21.2
109.10126	7.3
117.06985	7.8
119.08572	22.3
121.10117	12.7
129.06956	7.1
131.08528	6.0
133.10063	13.1
135.11653	5.3
143.08490	6.6
145.10095	8.5
147.11630	21.5
161.13225	9.4
171.11653	18.0
173.13176	3.3
175.14815	3.9
189.12657	5.7
198.14035	2.9
207.13742	20.8
233.42181	3.5
261.22125	7.3
281.17444	46.5
335.25723	52.6
335.49084	4.1
436.53265	3.0
541.38837	100.0
542.38892	6.1
623.27856	8.5
624.28339	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96263	0.4
56.96545	5.3
57.84546	0.3
70.94780	0.8
71.95226	0.4
84.96012	2.8
85.07025	0.3
90.50519	0.3
98.91994	0.3
98.97556	28.4
102.97042	0.5
110.97533	9.3
112.99126	0.7
116.98594	15.2
117.55176	0.3
124.99061	0.6
127.00642	0.5
128.98567	11.9
131.00143	0.5
134.99619	5.0
140.00175	0.8
140.98537	3.3
143.00128	8.2
144.98091	0.8
145.01666	0.4
146.99623	8.0
147.00821	0.4
149.01187	0.4
152.98544	1.6
152.99623	1.4
155.00140	0.4
158.99617	16.3
161.01178	8.7
162.00229	0.7
165.00696	0.9
168.00148	1.3
170.99620	16.7
173.01224	0.8
174.99117	0.6
177.00667	13.8
179.02216	1.2
179.99837	0.4
182.99599	11.6
183.01120	0.8
184.00093	0.3
185.01155	0.3
189.00665	17.3
194.99521	0.6
195.01747	1.3
198.01204	0.9
200.02179	0.4
201.00662	46.9
202.01076	0.7
203.02364	0.8
204.01207	0.8
207.01804	1.8
210.01213	0.9
212.02151	0.5
213.00630	2.7
219.01714	37.7
219.51894	0.4
221.02289	0.4
224.02193	0.9
225.00713	0.5
231.01659	4.0
237.02762	14.2
240.02203	1.7
242.03340	0.9
243.01717	20.7
249.02701	0.8
255.03850	0.6
261.02759	87.8
262.03174	1.3
273.02750	6.2
279.03821	44.7
280.04150	0.5
291.03806	15.7
297.04889	0.7
300.04507	0.6
302.05475	2.9
303.03616	1.5
309.04895	1.3
321.04837	32.5
322.05200	0.7
333.04901	3.1
336.05115	0.3
345.04904	0.8
351.05896	8.6
363.05814	1.8
381.06946	22.9
382.07144	0.7
399.08014	24.7
418.90244	0.3
422.09619	1.4
423.07983	0.7
441.09076	100.0
442.09583	3.0
453.08859	2.4
471.10040	1.0
495.10696	0.4
501.11124	1.1
525.11261	0.5
543.12225	0.8
617.65302	0.4
748.09308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85170	0.6
56.96560	6.1
69.79477	0.6
71.68708	1.0
78.23424	0.7
81.16281	0.6
84.42680	0.6
84.95521	0.5
84.96014	2.9
87.59651	0.6
98.97558	25.2
110.97542	5.4
116.98610	16.7
126.98039	0.7
127.21229	0.6
128.98584	10.7
131.00150	1.2
134.99622	7.4
140.98524	2.2
143.00148	5.9
145.01654	0.7
146.99628	9.9
147.04375	2.1
149.01140	0.9
152.98521	1.5
152.99608	1.0
158.99623	13.2
161.01195	10.6
163.03903	4.0
164.04201	1.2
165.00710	1.8
166.15736	0.6
168.00146	1.0
170.99628	14.5
173.01126	1.9
177.00681	13.5
179.02269	1.5
182.99602	8.1
189.00688	20.1
193.00241	0.7
195.01686	1.7
201.00670	40.7
203.02370	0.9
207.01701	2.7
212.02307	1.2
213.00748	3.2
219.01732	38.1
220.02191	0.7
224.02240	2.1
225.00702	1.0
231.01765	5.3
237.00386	0.9
237.02769	16.7
237.05023	1.1
240.02174	1.2
242.03377	2.0
243.01726	20.4
249.02718	0.8
261.02783	83.1
262.03220	1.1
273.02689	6.7
274.97144	0.7
279.03839	45.3
284.04593	0.9
291.03830	16.2
297.04831	1.1
300.04233	1.0
302.05460	3.7
303.03806	1.5
309.04953	1.4
321.04858	31.8
333.04883	3.0
345.05130	0.8
351.06000	8.4
363.05893	1.9
381.06992	22.9
399.08087	21.8
400.08289	1.2
422.09534	1.4
441.09119	100.0
442.09561	2.3
453.09412	1.9
501.11145	1.3
518.90033	0.7
543.11639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.7
55.01847	1.0
55.05492	2.6
57.03439	2.7
58.82993	0.6
61.02920	5.1
63.97556	0.7
64.20212	0.6
67.05493	12.4
69.03424	3.2
69.07062	3.4
71.04980	1.3
71.67561	0.7
73.02888	2.8
79.05484	5.6
81.03404	2.2
81.07047	8.4
83.04982	1.3
83.08595	1.7
85.02890	4.9
85.06511	0.7
86.21202	0.6
91.03932	2.7
91.05483	5.4
93.07032	5.6
95.04958	1.6
95.08584	3.6
97.02863	4.3
97.06509	1.6
99.04407	0.8
101.02367	1.5
105.07011	4.2
107.04943	1.1
107.08579	3.4
109.02878	1.1
109.06526	1.0
109.10136	7.7
111.04465	0.8
111.08062	0.7
117.07021	2.1
119.08543	2.7
121.06493	1.3
121.10155	1.6
125.09627	0.9
127.03911	1.8
129.06995	0.9
131.08568	1.9
133.10118	2.4
135.08015	0.9
135.11728	1.2
137.09653	1.1
143.08577	0.9
145.10107	1.2
146.83553	0.6
147.08163	0.6
147.11696	1.6
149.09544	0.8
149.13235	1.1
171.11707	0.7
173.11729	2.1
173.13144	0.9
229.14296	1.2
241.19206	0.6
243.08475	1.3
269.17563	1.5
275.20157	1.9
276.86246	0.6
293.21106	0.8
333.20566	1.4
349.23776	1.1
413.17676	8.7
543.36688	2.2
551.28046	5.3
561.37616	1.6
705.45380	0.6
723.39136	100.0
724.39447	7.4
751.60132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.01858	5.4
55.05278	2.6
55.05503	31.8
57.03427	15.9
57.07067	3.5
61.02919	24.2
64.83920	2.0
65.03931	4.8
67.05140	3.8
67.05494	75.4
69.03425	22.0
69.06725	2.9
69.07060	27.1
71.04980	11.9
73.02911	10.8
79.05482	52.4
79.66681	1.8
81.03407	17.5
81.07044	66.8
82.07341	2.2
83.04949	9.6
83.08600	22.9
85.02881	20.9
85.06520	5.7
91.03951	12.1
91.05465	46.4
93.07028	53.0
94.07336	2.1
95.04974	11.2
95.08589	39.4
97.02872	15.8
97.06504	12.2
97.10160	17.2
99.04384	3.1
99.08084	2.0
102.79186	2.0
103.05440	3.4
105.07011	42.0
106.07308	2.1
107.04931	7.5
107.08575	32.6
109.02870	4.0
109.06507	4.6
109.10148	28.0
111.04446	2.7
111.08067	4.5
113.24981	2.1
115.05426	4.0
117.07008	21.1
119.08557	38.5
121.06479	4.5
121.10120	23.9
123.04447	2.4
123.08034	6.9
123.11665	5.4
125.09592	13.7
127.03880	7.3
128.06171	5.1
129.05473	2.2
129.06982	20.7
130.07687	2.9
131.08559	36.5
133.06465	3.2
133.10109	23.8
135.08008	5.9
135.11671	9.5
137.09598	5.6
139.03877	2.4
139.11113	6.6
141.06961	8.7
142.07712	3.5
143.08548	20.3
143.42685	2.0
145.10094	29.1
147.07994	4.7
147.11673	14.7
149.09605	6.2
149.13211	4.8
151.11147	3.5
155.08551	11.5
157.10110	23.1
159.08113	3.8
159.11678	26.2
161.09555	3.8
161.13220	6.8
163.11102	4.8
167.08490	3.7
169.10091	12.6
171.11656	18.7
173.09642	3.3
173.11803	4.5
173.13228	13.3
175.11157	5.0
177.12790	2.7
179.08575	3.7
181.10110	5.7
183.11624	9.7
185.09644	2.6
185.13205	11.4
187.11153	2.8
187.14775	5.7
189.11224	6.1
195.11670	6.5
195.44469	2.3
197.13280	8.8
199.14738	3.4
201.12648	3.0
205.05133	2.4
207.11650	3.1
209.13158	5.5
211.14824	4.3
213.12677	2.6
217.15709	2.2
223.14850	4.6
225.16258	3.0
227.12579	10.5
229.14355	5.4
235.14665	2.4
237.16319	3.5
243.08514	2.6
259.15237	2.8
267.15863	2.7
269.17395	4.0
271.20450	4.1
273.18533	4.3
275.20016	4.9
283.20584	4.8
285.22067	10.6
297.22223	3.0
299.19931	2.5
299.23581	5.6
301.21664	2.4
313.21176	2.0
339.22928	2.7
349.23639	4.0
359.25751	2.3
369.23779	2.3
413.17673	7.1
415.29868	2.9
423.27267	2.5
433.30923	9.5
436.79959	2.3
443.27515	3.1
451.31876	15.1
454.41180	2.1
469.33133	10.9
487.33939	6.1
495.29288	3.7
507.34390	6.4
517.35126	3.4
525.35754	50.3
526.35980	3.0
527.36060	2.5
543.36713	100.0
544.36908	11.1
551.27625	3.7
561.29510	4.2
561.37805	73.4
562.37915	5.6
687.40350	2.9
705.41510	4.7
723.39331	62.8
724.39374	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	723.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01858	3.8
55.05499	24.8
57.03420	8.8
57.07054	5.1
65.03924	6.7
65.92246	2.8
67.05492	78.1
69.03399	11.3
69.07054	15.5
71.04983	23.1
71.70232	3.2
79.05479	39.1
81.03392	24.2
81.07043	100.0
83.04970	24.9
83.08597	9.9
85.02895	5.5
85.06526	9.7
86.09668	4.7
91.05458	38.0
93.07027	40.2
95.04949	8.7
95.08588	37.7
97.02871	5.9
97.06508	7.0
97.10151	4.3
99.04436	4.8
99.08100	4.1
99.53001	2.2
105.06998	23.7
107.04907	3.2
107.08575	27.0
109.02842	3.9
109.06479	3.9
109.10144	20.3
111.04414	5.3
111.08043	4.2
117.06975	8.3
119.08565	10.6
121.10109	17.4
123.11674	15.2
124.99958	3.6
129.05440	11.0
129.06992	4.1
131.08524	11.4
133.10130	17.8
135.08009	3.1
135.11707	11.5
143.08557	3.8
145.10077	8.0
147.11673	10.6
149.13232	9.1
151.11148	5.5
157.10077	5.0
159.11649	9.4
161.13210	4.9
165.12660	2.2
169.10152	2.8
171.11653	4.0
173.04449	6.5
173.13292	3.4
175.11043	3.5
177.12830	3.0
183.13625	3.3
184.07312	11.3
187.13217	12.0
193.12071	2.5
201.14682	3.7
225.14882	2.7
227.16687	3.9
243.15842	5.0
261.22064	6.0
267.15802	3.0
269.17444	9.0
299.18417	2.5
299.42441	2.4
317.24741	3.0
335.25735	30.3
369.24127	4.2
445.24399	4.1
503.37253	37.7
505.38873	21.9
517.39166	3.3
529.38647	8.6
561.41528	32.5
673.42767	8.5
705.45459	4.3
723.46014	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	723.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01860	3.1
55.05507	17.7
57.03418	9.1
57.07053	2.6
59.05006	2.2
65.03937	3.8
67.05497	73.4
67.38585	2.2
69.03413	10.7
69.07052	10.5
71.04987	22.9
71.12415	3.3
71.12753	4.1
71.28104	1.8
79.05483	40.4
81.03403	19.8
81.07043	100.0
83.04968	20.4
83.08599	6.1
85.02902	3.2
85.06525	9.5
90.06842	1.8
91.05467	32.1
93.07027	32.7
95.04932	6.1
95.08591	31.5
97.02921	4.1
97.06509	7.3
97.10143	4.0
99.08069	2.6
105.07024	23.6
107.04965	2.9
107.07892	2.7
107.08581	21.1
109.02848	3.9
109.06517	5.1
109.10139	16.2
111.04430	4.8
111.08046	4.1
117.06990	12.3
119.08585	10.7
121.10130	15.9
123.11700	16.5
129.05455	12.3
129.06952	3.7
131.08528	11.8
133.10106	21.0
135.11632	11.1
143.08534	3.6
145.10081	7.1
147.11633	10.8
149.13225	7.9
151.11171	6.7
157.10097	4.5
159.11684	8.1
161.13190	3.0
173.04494	4.5
173.13251	3.6
177.12665	4.6
181.10114	2.3
183.13831	2.3
185.13203	2.4
187.13272	15.6
193.12305	2.5
195.13795	5.9
201.14783	4.1
225.14688	2.2
243.15831	4.9
261.22144	2.5
269.17456	8.9
299.18546	3.5
335.25845	20.5
351.23209	2.7
369.24069	2.8
387.25284	3.5
413.21402	2.6
503.37283	46.1
505.32175	2.3
505.38956	26.9
517.39117	2.7
529.38666	12.9
561.41321	30.0
634.51642	2.2
673.42719	11.4
705.45129	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	724.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43152	1.0
52.76892	1.2
53.03929	4.8
55.01855	4.2
55.05505	14.4
56.01669	1.5
57.03165	1.1
57.03428	17.4
61.02913	1.4
64.30017	1.2
65.03913	2.6
67.05493	28.3
68.05826	1.2
69.03419	7.4
69.07049	6.8
70.06574	3.2
71.04980	6.3
71.69894	1.6
79.05481	27.7
81.03403	100.0
81.07037	28.1
82.07391	1.1
83.04961	13.8
83.08604	25.9
85.02880	17.4
85.06522	2.3
86.09692	1.6
91.05466	31.4
93.07030	18.5
95.04955	38.1
95.08583	11.9
97.02863	5.0
97.06512	3.7
97.10152	7.9
105.07013	26.5
106.07315	1.3
107.04948	11.4
107.08567	12.0
109.02813	2.0
109.06489	8.5
109.10156	7.3
111.04406	2.7
111.08062	10.0
113.05965	2.0
115.05439	3.4
117.06994	4.3
119.04925	2.3
119.08562	24.9
121.06485	6.6
121.10111	12.3
123.04408	1.8
123.08025	3.3
123.11727	1.9
125.09621	5.4
127.03884	2.5
129.05498	1.6
129.06984	17.9
131.08540	14.1
133.06477	4.9
133.10115	11.2
135.08070	2.4
135.11613	2.9
137.05965	1.7
137.09575	3.9
142.07774	3.4
143.08543	3.1
145.06432	6.4
145.10068	5.1
147.07959	6.4
147.11635	12.0
149.09605	7.0
151.07510	1.9
151.11179	1.5
155.08542	2.6
157.06581	1.3
157.10117	18.0
159.02669	1.4
161.06021	1.8
161.09598	1.3
163.11171	3.4
165.09119	3.0
165.12752	3.6
169.10097	2.7
171.11588	1.7
173.09583	1.6
175.11131	14.1
185.09625	1.8
185.13164	1.4
189.09215	1.3
189.11116	2.4
189.81923	1.2
193.12204	35.6
195.11565	1.9
197.13153	2.1
205.12219	1.9
211.13205	17.5
211.14912	2.0
227.12566	1.3
229.14317	1.7
249.14938	1.8
255.13748	2.6
267.15860	96.7
268.16171	3.7
273.14862	6.2
285.16910	18.5
332.64709	1.7
339.23254	1.7
341.20901	1.2
342.37314	1.2
349.21661	4.6
350.58640	1.2
367.22580	10.2
385.23648	12.2
403.24551	3.9
405.24371	2.0
423.26007	1.4
433.25836	12.0
441.25995	7.2
459.27322	74.8
460.27692	4.8
477.28345	44.5
478.28842	2.5
519.29016	1.5
527.28314	1.3
724.41846	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	725.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01848	0.7
55.05497	0.4
57.03434	1.3
61.02906	0.3
65.03920	0.2
67.00745	0.2
67.05473	0.4
68.99775	0.5
69.03419	3.2
69.07046	0.4
69.74604	1.4
71.04979	6.7
72.05312	0.3
72.44791	0.2
73.02895	0.9
75.04485	0.2
75.37868	0.2
79.05464	0.3
79.49955	0.2
81.03406	3.4
81.07036	0.6
81.40128	0.2
83.04973	0.9
85.02892	12.5
86.01749	0.2
86.03218	0.4
87.00813	2.2
87.04444	0.2
91.05452	0.4
92.02592	0.3
93.03407	0.4
93.07024	0.4
95.04951	0.4
95.08601	0.3
97.02879	2.2
98.21429	0.3
99.04451	1.4
101.02377	0.2
103.03942	0.3
105.01842	1.2
105.06993	0.7
107.04935	0.2
107.08546	0.3
109.02865	3.3
109.10111	0.4
111.04448	0.9
113.05939	0.2
117.01821	0.5
119.08528	0.3
121.02827	0.4
123.04422	0.3
125.02313	0.2
127.03897	4.1
129.05441	1.9
130.05801	0.3
133.10104	0.5
135.04402	0.3
135.11633	0.2
136.07454	0.2
137.05945	0.3
137.09567	0.2
139.07549	0.2
140.04665	0.5
145.04933	1.8
145.10115	0.4
147.02850	0.2
147.06529	0.3
147.11685	0.4
149.02280	0.2
151.03903	1.1
151.07503	0.2
153.05432	0.4
156.69533	0.2
157.10088	0.6
158.10344	0.2
159.02835	1.6
159.11647	0.5
160.12024	0.2
163.03816	0.4
164.07030	0.2
165.09084	0.7
167.03369	6.0
167.10678	0.2
171.11726	0.3
177.05423	0.3
179.03394	0.4
189.03918	0.3
209.50810	0.2
215.07025	0.4
217.04915	0.2
231.04945	0.6
231.06871	0.3
232.07289	0.6
237.07590	0.2
242.05672	0.9
243.06467	1.6
245.04381	0.3
253.19543	0.8
253.33089	0.2
254.19724	0.4
255.08563	0.2
259.05978	0.7
260.06778	1.2
270.05362	0.2
271.05917	1.3
271.20575	1.1
272.20883	1.2
274.04779	0.3
285.07590	0.3
287.05426	1.5
288.06235	3.5
298.04660	0.2
299.05386	1.9
301.86520	0.2
315.05032	0.3
316.05728	10.6
317.05978	0.4
331.08066	100.0
332.08496	2.1
343.08136	0.7
362.82108	0.2
373.09256	0.9
382.48242	0.2
415.31979	0.4
416.32367	0.7
417.32675	0.2
441.11807	0.5
461.56253	0.2
477.13950	0.3
478.23837	0.2
579.13330	0.3
748.56256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.15665	0.7
55.05503	19.8
57.03429	14.5
57.07062	3.1
61.02931	4.7
65.03918	3.2
67.05494	72.4
69.03410	2.0
69.07056	20.8
70.95290	2.6
71.04989	4.5
71.08601	1.1
71.12739	0.8
73.02892	2.6
79.05480	44.8
80.05824	0.9
81.03397	2.7
81.07043	82.2
82.07346	1.1
83.04961	5.0
83.08603	14.8
85.02879	5.5
85.06522	3.3
91.03946	1.9
91.05465	31.3
93.07030	54.9
95.04942	5.1
95.08592	38.5
97.02866	2.3
97.06512	7.3
97.10164	1.5
98.21279	0.9
99.08072	1.3
105.07012	14.0
107.08575	29.6
109.06494	3.0
109.10141	13.7
111.08057	3.2
117.06996	8.8
119.08577	7.7
121.10123	18.3
123.08079	1.1
123.11682	6.4
131.08536	12.0
133.10109	15.8
135.11684	12.2
145.10068	3.4
147.11658	3.3
149.13242	11.5
151.11159	1.8
157.10114	0.9
159.11641	9.3
161.13239	2.6
163.14838	1.4
173.13260	3.3
175.14792	1.4
177.12685	3.7
185.13144	0.9
187.14798	2.4
195.13786	15.1
203.24121	0.9
213.14803	1.6
243.21097	3.1
261.22086	12.3
267.15811	2.1
269.17432	83.0
270.17770	2.3
317.24753	3.2
335.25745	86.8
336.26096	4.5
419.32587	1.2
437.34134	2.9
455.35568	1.1
511.37717	1.2
529.38800	100.0
530.39038	7.9
547.39575	1.6
703.75867	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71607	0.7
53.03925	2.9
55.01864	1.8
55.05503	14.8
57.03424	13.9
57.07056	2.8
61.02898	2.0
65.03922	2.5
65.74268	0.8
67.05492	62.1
67.16331	0.5
69.03422	1.0
69.06696	1.1
69.07055	19.3
70.08786	2.0
70.09202	1.6
71.04984	4.3
71.08615	0.8
72.85432	0.6
73.02892	1.3
79.05479	41.3
81.03413	2.1
81.07039	69.2
82.07359	0.9
83.04968	4.8
83.08606	12.1
85.02893	2.3
85.06515	3.0
91.03905	0.9
91.05020	0.7
91.05461	20.5
93.07025	61.8
94.07345	1.2
95.04943	5.4
95.08587	36.4
97.02870	1.4
97.06504	8.0
97.10130	2.1
99.08064	2.7
105.07012	10.0
107.04949	0.8
107.08569	32.5
109.06493	2.4
109.10142	11.0
111.08061	4.9
111.11736	0.8
113.09589	1.1
117.06997	7.1
119.08551	8.0
121.06494	1.3
121.10120	20.7
123.08030	1.4
123.11695	4.0
125.09574	0.9
129.39645	0.7
131.08534	9.7
133.10114	9.2
135.11667	10.8
139.11171	1.2
145.10057	3.5
147.11681	4.3
149.13228	24.3
157.10175	0.7
159.11668	11.5
161.13268	2.0
163.14810	1.3
173.13278	2.0
175.14854	1.3
177.12720	4.3
177.16348	1.2
179.14417	0.8
187.14778	1.0
195.13806	8.8
201.16414	1.0
213.14815	1.4
243.20995	2.7
261.22104	9.6
267.15891	1.1
269.17429	71.6
270.17706	3.0
317.24692	1.8
335.25726	58.7
336.26147	2.9
383.08597	0.9
437.33926	1.0
529.38782	100.0
530.39203	9.1
547.40424	1.6
726.44830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	0.8
57.03423	0.5
61.02912	0.7
62.16419	0.1
68.99775	0.6
69.03416	4.1
69.16214	0.1
70.06582	0.4
71.04973	0.4
71.69004	0.2
73.02902	0.8
81.03401	4.2
85.02888	6.5
85.03397	0.3
87.00816	2.6
88.57549	0.2
92.02606	0.5
93.03384	0.6
96.36880	0.2
97.02871	2.4
99.04439	1.3
101.67422	0.2
105.01838	1.8
109.02861	3.8
111.00762	0.2
114.30467	0.2
117.01823	0.6
121.02839	0.6
123.04362	0.3
124.79104	0.2
126.03130	0.2
127.03890	5.3
129.01793	0.5
137.02328	0.4
139.03879	0.5
145.04904	1.7
147.02812	0.3
151.03891	1.0
153.01784	4.7
159.02867	2.1
163.03865	0.7
165.01784	0.8
177.05484	0.3
183.02956	0.2
201.05441	0.6
203.03305	0.3
213.03818	0.3
217.04951	0.6
218.05736	0.2
228.04063	0.8
229.04890	1.3
231.04942	0.7
231.92780	0.2
239.11771	0.3
243.06485	0.3
245.04440	0.5
246.05168	1.1
251.08156	0.2
255.06590	0.3
257.04391	1.6
260.03351	0.2
261.07486	0.2
271.06033	0.4
273.03925	1.0
274.04666	3.0
284.03162	0.2
285.03876	2.5
302.04156	11.8
303.04684	0.4
303.13287	0.3
317.06494	100.0
318.06857	3.1
339.09641	0.2
359.07578	1.0
383.07596	0.3
425.08167	0.2
479.11734	11.0
480.11807	0.4
509.98187	0.2
515.12549	0.8
529.09973	0.2
663.37946	0.2
689.68927	0.2
689.81030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	0.8
57.03423	0.5
61.02912	0.7
62.16419	0.1
68.99775	0.6
69.03416	4.1
69.16214	0.1
70.06582	0.4
71.04973	0.4
71.69004	0.2
73.02902	0.8
81.03401	4.2
85.02888	6.5
85.03397	0.3
87.00816	2.6
88.57549	0.2
92.02606	0.5
93.03384	0.6
96.36880	0.2
97.02871	2.4
99.04439	1.3
101.67422	0.2
105.01838	1.8
109.02861	3.8
111.00762	0.2
114.30467	0.2
117.01823	0.6
121.02839	0.6
123.04362	0.3
124.79104	0.2
126.03130	0.2
127.03890	5.3
129.01793	0.5
137.02328	0.4
139.03879	0.5
145.04904	1.7
147.02812	0.3
151.03891	1.0
153.01784	4.7
159.02867	2.1
163.03865	0.7
165.01784	0.8
177.05484	0.3
183.02956	0.2
201.05441	0.6
203.03305	0.3
213.03818	0.3
217.04951	0.6
218.05736	0.2
228.04063	0.8
229.04890	1.3
231.04942	0.7
231.92780	0.2
239.11771	0.3
243.06485	0.3
245.04440	0.5
246.05168	1.1
251.08156	0.2
255.06590	0.3
257.04391	1.6
260.03351	0.2
261.07486	0.2
271.06033	0.4
273.03925	1.0
274.04666	3.0
284.03162	0.2
285.03876	2.5
302.04156	11.8
303.04684	0.4
303.13287	0.3
317.06494	100.0
318.06857	3.1
339.09641	0.2
359.07578	1.0
383.07596	0.3
425.08167	0.2
479.11734	11.0
480.11807	0.4
509.98187	0.2
515.12549	0.8
529.09973	0.2
663.37946	0.2
689.68927	0.2
689.81030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	0.8
57.03423	0.5
61.02912	0.7
62.16419	0.1
68.99775	0.6
69.03416	4.1
69.16214	0.1
70.06582	0.4
71.04973	0.4
71.69004	0.2
73.02902	0.8
81.03401	4.2
85.02888	6.5
85.03397	0.3
87.00816	2.6
88.57549	0.2
92.02606	0.5
93.03384	0.6
96.36880	0.2
97.02871	2.4
99.04439	1.3
101.67422	0.2
105.01838	1.8
109.02861	3.8
111.00762	0.2
114.30467	0.2
117.01823	0.6
121.02839	0.6
123.04362	0.3
124.79104	0.2
126.03130	0.2
127.03890	5.3
129.01793	0.5
137.02328	0.4
139.03879	0.5
145.04904	1.7
147.02812	0.3
151.03891	1.0
153.01784	4.7
159.02867	2.1
163.03865	0.7
165.01784	0.8
177.05484	0.3
183.02956	0.2
201.05441	0.6
203.03305	0.3
213.03818	0.3
217.04951	0.6
218.05736	0.2
228.04063	0.8
229.04890	1.3
231.04942	0.7
231.92780	0.2
239.11771	0.3
243.06485	0.3
245.04440	0.5
246.05168	1.1
251.08156	0.2
255.06590	0.3
257.04391	1.6
260.03351	0.2
261.07486	0.2
271.06033	0.4
273.03925	1.0
274.04666	3.0
284.03162	0.2
285.03876	2.5
302.04156	11.8
303.04684	0.4
303.13287	0.3
317.06494	100.0
318.06857	3.1
339.09641	0.2
359.07578	1.0
383.07596	0.3
425.08167	0.2
479.11734	11.0
480.11807	0.4
509.98187	0.2
515.12549	0.8
529.09973	0.2
663.37946	0.2
689.68927	0.2
689.81030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01851	1.5
57.03433	2.5
61.02903	1.2
68.99767	1.5
69.03420	7.0
70.06577	0.9
71.04986	8.3
71.68027	0.8
73.02892	1.8
81.03408	7.6
83.04958	1.1
85.02894	22.1
87.00813	5.3
91.05444	0.8
95.04958	0.7
97.02874	5.8
99.04456	2.2
105.01847	3.8
107.08539	0.6
109.02866	7.2
109.60575	0.4
110.09683	0.8
111.00774	1.2
111.04417	1.5
117.01888	0.9
120.08079	0.7
121.02869	0.8
121.83743	0.4
123.04405	0.9
125.46123	0.5
126.09097	2.2
126.89556	0.4
127.03904	11.2
127.09401	0.6
129.01866	0.7
129.05470	1.8
129.39441	0.5
131.09439	0.5
136.07584	0.6
137.02280	0.9
138.05574	0.4
138.09088	1.1
139.03867	3.1
140.04668	1.5
143.02635	0.5
145.04948	4.1
145.83823	0.5
146.06021	0.6
151.03883	1.4
153.01808	10.4
153.05408	0.6
159.02870	3.9
163.03859	0.6
165.01756	1.0
166.04974	2.0
166.08575	2.0
167.03365	2.0
172.03923	1.4
179.03391	6.1
179.94211	0.5
193.04945	0.9
194.04408	0.9
195.02827	1.8
195.04553	0.4
201.05457	0.6
204.06505	2.3
207.02910	1.4
209.15384	0.5
211.64487	0.4
213.03922	0.9
217.04916	1.7
221.04446	1.0
227.03247	0.9
228.04050	0.9
229.04942	0.8
231.04965	1.7
244.03725	1.1
245.04390	1.3
245.09113	0.6
255.02802	1.6
257.04407	1.9
259.06079	2.8
261.03796	0.8
272.03143	0.9
273.03867	1.7
274.04565	2.4
283.10718	0.5
285.03943	1.9
287.05432	7.4
289.03308	1.4
290.04004	0.5
300.02515	0.7
301.03345	2.0
301.11703	0.7
302.01053	0.6
302.04218	5.6
304.05685	1.4
305.11429	0.6
315.04889	1.9
317.06522	52.6
318.03589	1.5
318.06921	1.6
333.06003	100.0
334.06210	2.5
357.14578	1.0
365.13480	2.3
375.07120	1.6
399.06815	0.5
400.12265	1.1
443.10025	0.6
461.10651	0.5
468.21997	0.5
479.11850	2.1
727.25336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92941	0.2
59.60811	0.3
63.00166	0.2
64.39487	0.3
69.74718	1.4
69.75129	0.4
70.06581	0.4
85.02905	0.3
88.39315	0.2
89.78212	0.2
117.86639	0.2
157.10161	0.2
163.03888	0.3
165.09079	0.7
201.88232	0.3
257.14999	0.3
263.20114	0.3
267.15598	0.4
284.20724	0.3
367.11505	0.7
383.08847	100.0
384.09238	3.8
476.50967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53778	0.2
55.05489	0.2
56.05025	0.6
58.06346	0.2
58.06609	0.4
60.08156	6.2
67.05478	0.3
71.07361	3.5
79.05476	0.2
81.03426	0.2
81.07044	0.6
86.09693	33.9
87.10027	0.3
91.05473	0.3
93.07065	0.3
98.98441	3.7
104.10730	2.6
105.07031	0.4
107.08554	0.2
116.99438	0.2
119.96629	0.2
124.99983	23.0
143.01054	0.4
164.98181	0.1
166.02684	0.2
184.07315	100.0
185.07652	1.0
194.90932	0.1
531.35596	0.2
728.44653	3.0
729.45599	0.3
757.56775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94342	3.0
53.03945	6.7
55.01865	6.0
55.05505	26.6
57.03430	23.9
57.07054	4.1
61.02914	5.7
67.05494	81.6
69.07054	28.5
71.04971	6.8
79.05481	76.0
81.03422	7.7
81.07040	60.0
83.04949	9.4
83.08593	8.1
85.02901	6.1
85.06510	6.6
85.77493	3.9
86.09705	18.2
91.05461	73.5
92.18598	3.3
93.06432	4.7
93.07027	96.9
95.04941	13.7
95.08580	30.6
97.06506	14.3
97.10139	14.1
98.21027	4.2
105.07011	71.3
107.08569	61.3
109.06459	4.7
109.10128	14.0
117.06998	20.4
118.58497	4.1
119.08563	57.1
121.10139	30.8
124.99981	6.6
125.09602	4.3
129.06970	11.1
131.08546	24.5
133.10101	49.1
134.92616	3.4
135.11674	70.0
143.08505	14.0
145.10069	30.1
147.11652	37.1
149.09695	3.4
149.13242	12.8
151.11153	4.7
157.10077	11.0
159.11642	19.7
161.13216	23.6
163.11183	7.9
169.10155	4.6
171.11671	14.7
172.23347	3.5
173.13254	12.6
175.14803	13.2
181.12253	16.5
183.11623	6.3
184.07330	38.0
185.13327	7.5
187.14764	5.0
191.63000	4.0
195.11685	3.3
199.14818	8.1
231.21104	6.1
241.19514	34.1
253.14209	6.2
255.15868	100.0
259.20526	81.9
315.23123	5.5
333.24225	46.3
396.95782	4.3
411.11871	3.8
421.30914	8.7
513.35724	66.8
531.37030	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.5
57.03424	10.1
58.77784	2.1
61.02921	4.8
65.03930	2.7
67.05496	64.3
69.03435	2.5
69.07054	20.1
71.04999	2.3
71.08641	2.5
79.05476	27.9
81.07041	59.7
83.04988	2.3
83.08617	13.4
85.02903	3.1
85.06528	6.7
90.26498	2.5
91.03940	3.0
91.05481	14.5
93.07035	29.3
95.08590	100.0
96.08945	2.3
97.02887	2.7
97.06510	7.2
97.10154	4.6
97.72828	2.0
104.10779	2.1
105.07034	9.0
107.08582	17.2
109.10145	25.9
111.08080	2.5
119.08587	10.3
121.10126	10.2
123.08058	2.5
131.08562	3.3
133.10107	8.7
135.11658	13.5
147.11713	3.4
149.13245	3.4
161.13235	10.7
179.14319	5.3
180.61429	2.7
184.07382	3.7
188.86507	2.2
197.15500	2.6
243.21072	2.4
261.22086	10.0
271.19028	74.0
272.19171	2.7
335.25723	76.3
347.75134	2.4
383.08752	7.4
384.09167	5.2
385.08826	2.7
531.40344	69.6
532.40845	2.8
581.89398	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	729.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89808	0.4
53.03945	0.7
54.81948	0.4
55.01866	0.6
55.05494	1.7
57.03425	1.9
59.04979	0.7
61.02916	4.8
67.05493	3.4
69.03413	3.4
69.07054	1.9
70.06576	1.1
71.04989	1.8
71.69115	0.7
73.02913	3.7
79.05492	2.7
81.21290	0.4
83.04972	1.5
83.08613	1.6
84.08144	0.4
85.02895	5.7
85.06516	0.5
87.04471	0.8
91.03950	2.7
91.05470	5.0
93.07029	3.4
95.04974	2.0
95.08593	3.1
97.02874	4.6
97.06527	1.1
97.10126	0.4
99.04455	1.2
101.02370	1.6
105.07015	3.2
107.04980	0.8
107.08604	1.8
109.02895	1.1
109.06516	0.9
109.10164	1.8
111.04462	0.5
111.08068	1.3
115.03905	0.4
119.08557	3.9
120.96471	0.4
121.06460	0.6
121.10133	2.2
123.04441	1.0
123.08086	0.5
127.03928	1.6
129.06998	1.1
131.08563	1.9
133.10075	2.2
135.08028	0.5
135.11745	0.6
137.05984	0.5
139.03912	1.3
142.07736	0.5
145.10088	0.6
147.11685	3.0
148.08997	0.4
149.09628	2.3
151.07542	1.4
157.10065	2.5
162.35246	0.5
163.11092	0.7
165.12848	0.6
175.07532	0.5
175.11191	1.5
185.04321	0.6
191.10738	0.7
193.12172	3.0
195.06470	0.5
203.05278	0.6
211.13228	0.7
225.14886	0.8
243.08380	3.2
251.12563	1.4
267.15958	1.0
283.15085	3.7
339.17709	0.9
379.18216	0.5
398.72064	0.4
428.66479	0.4
445.28778	0.6
462.32834	0.8
463.32962	1.8
469.20447	9.6
470.20850	0.5
481.31821	1.0
501.22998	9.4
567.31311	0.5
729.36542	100.0
730.36932	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.6
58.06622	0.4
59.07375	0.1
60.08154	6.3
67.05484	0.4
69.07050	0.1
69.85574	0.1
70.06580	0.1
71.07359	3.2
74.07391	0.1
79.05491	0.1
81.03397	0.1
81.07029	0.3
84.08080	0.1
86.09692	31.2
87.10020	0.3
91.05459	0.2
93.07025	0.2
95.04961	0.1
95.08585	0.2
98.20684	0.3
98.98450	2.8
98.99077	0.2
104.10723	2.4
105.07027	0.1
109.10158	0.1
124.99982	20.9
143.01012	0.3
153.54527	0.1
166.02594	0.1
184.07312	100.0
185.07704	0.9
229.81946	0.1
259.13809	0.1
338.15851	0.1
468.23587	0.2
487.17389	0.1
502.33585	0.1
540.89447	0.1
601.51160	0.1
730.46399	3.2
731.47186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.3
56.05022	0.6
58.06625	0.5
59.07399	0.2
60.08155	6.0
63.73220	0.2
67.05498	0.9
69.07051	0.2
71.07362	3.2
71.69246	0.3
79.05470	0.6
80.63871	0.2
81.03416	0.2
81.07040	0.8
84.04475	0.2
85.02902	0.2
86.09692	28.6
87.10027	0.2
91.05463	0.6
93.07038	0.6
95.08601	0.5
96.36304	0.2
98.20944	0.3
98.98450	3.2
104.10733	2.5
105.07015	0.5
107.08578	0.5
119.08601	0.3
124.99983	20.3
131.08525	0.3
133.10104	0.2
135.11638	0.3
143.00995	0.4
152.71761	0.2
170.98917	0.2
179.07335	0.2
184.07314	100.0
185.07620	1.1
489.35825	0.2
548.80322	0.2
730.46289	4.6
731.45697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01865	2.9
55.05511	1.0
57.03437	0.5
63.21094	0.4
65.03938	1.4
67.05492	5.0
68.99798	1.4
69.03438	2.2
69.07056	4.6
70.06597	1.5
71.01347	1.4
71.04980	0.8
71.68022	0.7
79.05482	12.4
80.55561	0.4
81.03400	4.5
81.07054	3.4
82.03728	0.4
83.04966	1.7
83.20945	0.5
84.04496	0.5
84.08161	0.7
85.02895	1.3
85.06519	0.6
87.09225	0.5
91.05465	6.8
93.03398	1.1
93.07035	3.4
95.04955	8.3
95.05516	0.7
95.08591	1.9
96.04465	0.6
97.02886	1.5
97.06517	36.2
103.05451	0.9
105.03379	0.7
105.07010	7.7
107.04946	3.7
107.08575	5.5
108.04488	0.4
109.02898	0.8
109.06497	1.6
109.10158	1.2
111.04440	3.5
115.05428	1.2
117.07007	4.4
119.04916	2.4
119.08544	4.2
120.08090	0.6
121.02808	2.0
121.06495	2.9
121.10120	0.8
122.06010	0.5
123.04414	21.1
123.07993	0.6
123.11739	0.4
125.05940	0.6
125.09612	0.5
127.03908	1.0
128.06224	2.1
129.06984	3.1
131.04915	1.3
131.08557	5.9
133.06476	2.4
133.10094	4.1
135.04399	4.4
135.08032	1.7
135.09090	0.4
136.05159	0.5
136.07562	1.5
137.05954	2.7
138.09050	0.6
139.03880	100.0
140.04254	0.9
141.06950	2.9
142.07761	1.0
143.08542	9.1
145.02812	1.2
145.06473	4.9
145.10109	4.2
147.04405	2.1
147.08020	1.9
147.11668	0.6
149.05980	1.8
149.09610	0.6
151.03888	1.1
151.07494	1.0
152.06068	0.6
153.05441	1.2
153.06865	0.6
154.07750	1.4
155.08527	2.9
157.06459	1.6
157.10107	6.0
159.08025	6.0
159.11679	2.8
161.05960	7.6
161.09596	10.0
163.03883	7.9
163.07515	1.7
163.11185	0.7
163.14920	0.5
164.06932	0.4
165.05580	0.8
165.06935	1.3
165.09064	0.5
167.07204	0.5
167.08537	11.3
168.08914	0.6
169.06477	1.2
169.10106	4.5
170.07262	0.9
171.08084	2.6
171.11676	0.5
173.05931	1.1
173.09584	1.0
175.03893	1.2
175.07507	3.4
176.08089	0.5
177.05463	0.7
177.09074	1.5
179.07053	0.5
179.08514	1.3
181.04947	1.1
181.06419	0.6
181.10083	2.9
181.11568	0.4
183.08051	2.1
183.11618	1.7
185.06004	2.5
185.07916	0.7
185.09592	15.1
186.09979	0.5
187.07484	1.6
187.11131	2.6
189.05424	0.6
189.09094	2.1
191.06960	1.2
191.08554	0.7
191.10544	0.6
192.09378	0.8
193.10059	0.9
195.08002	1.3
195.11652	1.9
197.06010	0.7
197.09552	1.0
197.13200	1.4
199.07466	1.9
199.11102	0.8
201.09061	1.3
203.06923	2.4
203.10536	2.4
205.08498	2.5
205.10135	1.1
205.12029	0.6
207.08156	0.5
207.11757	2.0
209.05864	0.5
209.09525	1.6
209.13219	0.6
210.10281	0.4
211.07527	0.7
211.11156	0.9
213.09056	2.5
216.09332	0.8
217.05038	0.6
217.08521	4.5
219.10129	59.9
220.02330	0.4
220.10461	0.9
221.09538	0.7
221.13148	0.9
223.11081	1.2
225.09177	0.5
225.12672	1.5
227.06952	3.5
227.10580	0.6
227.14171	0.5
229.08582	0.4
231.10062	6.0
233.09508	1.1
235.11166	2.5
237.09157	0.7
237.12643	1.0
239.10574	0.6
241.12357	0.5
249.11064	13.0
251.10555	1.4
253.12210	1.6
255.13812	0.5
259.09247	0.6
261.11130	1.8
267.13757	1.2
269.11765	0.6
271.13181	1.6
277.12286	2.5
279.13745	0.6
281.11624	1.3
289.14105	0.6
295.13263	3.6
297.11075	1.6
299.12698	5.7
300.13144	0.7
305.11728	0.7
313.14212	5.0
314.13818	1.0
314.17389	0.7
315.12234	0.9
317.13748	7.9
318.14069	0.7
323.12582	2.8
325.10468	0.8
340.15027	0.5
341.13696	5.4
342.13528	1.0
343.11755	2.0
357.13138	1.3
358.16257	1.6
359.10413	0.9
359.14752	16.5
360.14383	3.9
361.12991	1.0
369.13266	7.4
370.13556	0.8
371.14713	1.0
384.08994	0.8
385.08740	2.9
386.08972	3.9
386.15726	13.3
387.14224	80.0
388.13965	5.4
406.14624	1.0
407.14642	0.6
433.16238	0.6
435.14102	0.7
451.16943	0.5
461.15762	0.8
465.31998	0.9
479.16458	0.5
483.15732	0.8
494.18661	0.4
512.07428	0.5
553.33020	0.4
575.22400	0.6
593.23346	0.9
596.23431	0.4
614.24182	0.5
621.22992	0.6
639.25360	0.5
642.23932	0.5
657.26440	0.6
667.24933	0.6
685.26215	2.2
703.26453	1.3
731.26666	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.1
58.32284	1.0
61.02906	5.0
61.66700	1.1
67.05482	4.3
69.03440	2.5
69.07071	2.4
71.69896	1.3
73.02908	4.7
74.75732	1.2
79.05476	4.9
81.03426	1.6
81.07050	5.0
83.08599	2.1
85.02879	6.2
91.03940	5.4
91.05470	3.6
93.07031	5.1
95.08585	3.5
97.02885	5.2
107.08592	2.6
109.10118	1.8
121.10106	2.4
127.03876	2.2
131.08539	1.9
149.13210	1.5
184.07277	1.6
202.11685	1.2
237.46536	1.6
243.08333	3.1
256.43454	1.3
335.25372	1.6
341.38974	1.2
453.20755	7.3
519.29327	6.7
731.43286	100.0
732.43341	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	731.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01873	0.5
55.05495	1.4
57.03423	1.8
61.02917	6.8
67.05495	5.9
69.03420	3.4
69.07056	2.1
69.90284	2.8
70.31369	0.4
71.04974	1.0
73.02905	4.3
79.05483	4.0
81.03405	1.8
81.07040	6.0
83.08595	0.9
84.69706	0.5
85.02892	6.1
91.03941	3.4
91.05450	2.3
93.07033	5.1
95.04962	1.0
95.08580	3.8
97.02878	4.4
97.06502	0.7
98.20820	0.6
101.02386	1.9
105.07022	1.6
107.08604	2.8
109.10168	1.6
117.07050	1.0
119.08557	0.7
121.10123	1.8
127.03885	1.5
131.08560	0.9
133.10141	0.7
135.11722	1.1
149.13258	1.4
154.73633	0.5
159.11751	0.8
164.10124	0.4
185.04121	0.6
203.05315	0.7
219.33820	0.4
235.13029	1.0
243.08481	1.6
330.96375	0.5
353.57056	0.5
453.20865	4.4
519.29260	9.2
520.29675	0.8
528.85022	0.5
731.43286	100.0
732.43591	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	732.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.1
56.05025	0.5
57.07048	0.1
58.06622	0.4
59.07402	0.2
60.08153	5.6
67.05492	0.2
69.76915	0.8
71.07359	3.3
79.05484	0.2
81.03438	0.1
81.07050	0.3
86.09690	29.6
87.10044	0.3
89.06023	0.5
91.05450	0.3
91.98320	0.1
92.62908	0.1
93.07007	0.1
98.20608	0.1
98.98455	2.6
104.10726	2.0
116.99485	0.2
122.58948	0.1
124.99982	18.9
126.00333	0.2
133.08572	0.3
143.01050	0.2
153.42932	0.1
163.90234	0.1
166.02649	0.1
170.11818	0.1
170.13557	0.1
184.07310	100.0
185.07690	1.0
340.05365	0.1
340.10147	0.1
405.56931	0.1
468.23325	0.3
732.48120	3.3
733.48077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98421	0.4
55.05499	2.4
56.05028	4.5
57.03431	0.8
57.07066	2.3
58.68138	0.4
60.04514	73.8
67.05495	3.5
69.03395	0.6
69.07050	3.5
70.06574	1.2
71.08620	1.2
71.67500	0.5
72.04501	1.0
74.06065	1.4
79.05457	3.0
81.03384	0.6
81.07046	4.0
82.06570	1.0
83.04967	0.8
83.08607	3.3
85.10165	0.7
86.06046	1.1
89.38499	0.4
90.05537	0.7
91.05453	0.9
93.07047	2.3
95.08599	3.4
97.06532	0.8
97.10165	1.9
105.07011	0.6
107.08575	1.6
109.10147	1.8
111.11770	0.6
117.07008	0.5
119.08572	2.5
121.10139	1.0
133.10132	0.5
135.11732	0.5
184.07372	0.5
216.41684	0.4
252.26848	1.2
254.28311	0.9
264.26773	2.1
265.25183	0.8
270.27875	2.4
282.27853	12.1
300.26208	0.4
300.28909	12.8
318.29974	100.0
319.30304	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	733.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01866	12.9
55.05498	20.1
57.03199	1.9
57.03428	19.8
58.91219	1.4
61.02908	3.6
65.03927	8.7
67.05495	71.3
69.03427	14.7
69.07047	12.8
71.04966	5.2
74.89234	1.6
79.05481	52.7
81.03408	27.6
81.07042	48.2
83.04975	10.5
83.08591	6.0
85.02886	7.8
85.06535	13.0
91.03908	2.3
91.04922	3.0
91.05466	54.4
93.07025	48.6
95.04951	100.0
95.08595	33.3
97.02868	5.7
97.06534	10.8
97.10179	2.5
99.04442	4.6
101.02371	2.0
102.52768	1.7
103.05439	2.2
105.06335	2.6
105.07011	41.2
107.04938	20.0
107.08577	24.3
109.02829	4.3
109.05741	2.9
109.06500	59.8
109.10123	9.3
111.04396	3.8
111.08038	3.7
113.05983	32.2
115.05433	5.9
117.06995	22.3
119.04897	2.1
119.08567	21.8
121.06476	11.1
121.10152	11.4
123.04404	3.8
123.08028	9.4
125.09670	1.8
127.03887	5.5
128.06201	6.7
129.06976	17.1
131.04903	3.3
131.08540	27.9
133.06477	9.3
133.10124	11.8
135.08028	43.5
135.11617	8.9
137.06017	2.3
137.09570	3.8
141.06946	5.5
142.56764	1.7
143.08539	20.5
145.06421	5.2
145.10092	18.3
147.08041	9.9
147.11656	15.3
149.09557	7.8
149.13181	5.0
151.11302	1.8
155.08522	6.1
157.10083	10.9
159.08025	7.8
159.11626	10.7
161.09598	12.2
161.13219	7.0
163.07573	2.6
163.11139	4.8
166.69707	1.6
167.08472	4.5
169.10071	4.5
171.08009	3.8
171.11650	12.8
173.04414	6.3
173.09532	4.8
173.13246	7.1
175.11147	4.0
177.12733	4.9
183.11676	4.3
185.13208	4.2
187.11156	5.2
189.12709	6.8
193.10269	1.8
195.11766	3.6
195.13664	3.3
197.13210	2.5
199.11110	2.2
199.14804	4.0
201.12730	2.7
203.14247	2.0
207.13744	8.8
217.15800	8.8
225.12666	1.7
230.76454	2.2
237.16351	3.1
245.19025	2.5
251.14206	2.5
255.17216	2.3
259.16861	3.4
269.15347	4.8
273.16171	1.5
273.18460	52.0
275.20062	4.2
279.15869	9.4
281.17377	13.5
287.16388	6.6
291.19510	76.6
292.19882	4.0
347.22086	12.9
351.17819	2.4
361.20148	2.2
365.23178	11.5
395.18973	5.1
407.20526	2.9
425.21616	7.7
438.15930	1.9
553.35114	17.4
554.35742	1.9
571.36157	20.4
572.36261	1.9
633.37305	2.6
651.38922	3.2
697.38934	3.3
715.39838	6.6
733.41669	2.5
743.62354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	47.1
59.31179	1.1
59.53550	1.2
69.38038	16.0
69.38425	1.6
72.35862	1.2
83.80864	1.3
84.81969	1.3
84.96014	14.3
89.03928	1.5
98.97563	77.7
102.97049	1.5
107.76740	1.2
110.97552	19.1
112.99131	3.0
116.98599	38.5
117.03390	2.2
124.99117	5.3
127.00655	3.0
128.98586	30.8
131.00154	6.0
134.99625	9.2
135.04410	4.6
140.00163	2.3
140.98586	5.2
141.02269	1.9
143.00146	30.3
145.01776	1.7
145.02789	3.4
146.99612	18.6
147.04399	3.7
149.01234	4.4
152.98592	5.6
158.99631	29.0
159.03262	3.2
161.01210	26.5
163.02640	2.9
163.03888	26.5
163.05147	2.3
165.00702	2.4
168.98180	1.4
169.01692	3.4
170.99629	39.7
173.01291	2.3
177.00691	26.0
179.02284	5.2
182.99597	17.8
184.02759	1.8
185.01225	5.4
186.99112	3.8
187.02769	5.3
189.00688	49.0
194.99654	2.6
195.01784	2.6
200.98917	3.2
201.00681	77.1
203.02228	6.6
205.00150	2.1
205.03720	1.8
206.99907	2.0
207.01762	5.8
209.01273	2.1
211.02750	5.7
213.00621	11.8
218.99698	11.4
219.01701	63.9
224.02246	3.1
225.00711	3.8
227.02307	1.7
229.03812	2.5
231.01718	14.1
233.01247	2.7
237.00679	52.8
237.02834	24.3
238.01184	1.4
242.03387	2.3
243.01744	25.0
245.05193	1.6
249.02879	4.8
251.02252	5.1
254.98921	1.6
254.99651	1.1
255.01709	77.1
261.02792	100.0
269.03189	7.1
273.02780	86.1
274.03357	2.1
278.03271	3.0
279.03922	47.5
284.38931	1.4
291.03857	20.4
296.04178	1.7
297.02826	5.3
302.05511	3.2
303.04041	2.3
305.03366	3.9
309.05133	2.0
311.02228	2.6
315.01587	4.7
321.04926	49.7
323.04312	9.3
327.03900	4.0
329.03113	2.5
331.04776	4.1
333.02069	1.7
333.04892	5.8
341.05499	2.3
347.04279	8.1
349.02029	5.1
349.06015	4.6
351.06018	13.5
357.04825	2.7
363.03818	2.3
365.05377	3.3
367.03452	4.2
375.03781	7.2
381.07019	7.9
387.05942	3.0
393.04816	28.4
399.07297	7.8
402.05368	2.0
411.05893	29.2
423.05704	3.4
429.07037	82.4
430.07535	2.7
434.07645	2.4
435.05826	10.0
447.06863	6.0
452.08725	3.4
453.06976	71.3
465.07101	11.1
471.08011	24.3
477.07578	2.6
483.08051	10.1
494.09705	3.4
495.08044	12.0
507.08008	3.3
513.09015	4.3
519.08398	2.6
525.08936	5.3
529.11774	2.8
537.08978	13.3
543.10614	1.6
555.10193	35.2
561.10779	2.4
573.11072	4.3
597.11554	7.8
615.11938	2.3
717.15344	8.4
735.16357	23.0
736.16376	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	11.4
55.01866	26.9
55.05496	37.7
55.90861	3.0
57.03421	10.5
57.07049	5.7
60.89108	2.6
61.02910	9.3
62.21490	3.0
65.03931	5.1
67.05139	6.0
67.05492	81.3
69.03415	18.8
69.07051	29.3
71.05003	8.0
71.36214	3.0
71.67812	4.3
73.02885	3.4
79.05483	100.0
81.03401	28.9
81.07041	77.0
81.36449	3.1
83.04964	19.6
83.08607	20.6
85.02873	13.8
91.05462	94.5
93.07033	95.4
95.04952	29.1
95.08009	4.0
95.08589	43.4
97.02859	9.4
97.06517	40.9
97.10148	13.5
99.04469	6.3
99.08072	3.0
105.07013	83.5
107.04939	21.0
107.08574	42.9
109.06506	13.7
109.10131	18.3
111.08058	3.7
117.06986	25.6
119.08551	51.5
121.06484	11.1
121.10113	16.3
123.08039	9.6
123.11681	7.0
125.09623	14.2
127.03896	6.5
128.06213	5.7
129.06984	25.4
131.08554	22.0
133.06441	6.1
133.10115	36.3
135.08049	5.6
135.11687	8.2
143.08577	16.0
145.10103	34.5
147.08005	5.9
147.11674	50.6
149.09579	20.2
149.13295	5.2
151.11130	3.3
155.08553	4.3
157.10071	5.2
159.08029	3.6
159.11653	11.6
161.13283	15.1
163.11183	6.6
169.10139	6.0
171.11674	34.3
173.04471	4.3
173.13243	7.6
179.14246	5.1
183.11656	3.6
187.14732	3.2
189.11131	7.9
189.12682	14.2
201.12831	3.4
207.13757	31.5
227.12708	28.8
239.17868	6.1
247.20667	3.6
257.18878	14.3
273.18527	3.7
275.20026	68.1
275.22980	3.3
281.17444	68.2
291.19489	8.9
307.26303	3.2
331.22525	5.6
349.23685	38.8
377.23328	7.4
451.26663	7.1
459.31006	10.1
475.30563	16.0
493.28317	3.9
555.29071	4.3
555.36829	53.1
573.37494	13.9
619.34277	6.4
666.76422	3.8
679.79871	4.1
735.42712	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27486	1.3
53.03938	6.4
55.01862	13.2
55.05269	1.6
55.05505	19.0
57.03428	21.6
57.07054	1.5
59.04987	2.2
61.02906	2.0
65.03925	4.6
67.05496	63.6
69.03412	14.8
69.07059	12.2
70.95334	4.7
71.04981	6.9
79.05485	39.4
81.02936	2.3
81.03407	44.1
81.07043	42.2
83.04585	1.3
83.04975	16.1
83.08607	14.9
85.02883	10.2
85.06540	11.7
85.07967	1.3
91.04926	2.6
91.05469	41.9
93.07028	33.0
95.04951	69.4
95.08585	17.1
96.05204	1.4
97.02866	12.0
97.06522	9.2
97.10141	4.1
99.04429	4.2
99.08044	1.8
102.77184	1.3
103.05470	2.6
105.07018	32.0
107.04929	16.4
107.08583	23.0
109.02859	6.0
109.06503	58.1
109.10152	9.3
110.33295	1.2
111.04417	6.3
111.08073	8.9
111.52922	1.1
113.05991	30.5
115.05408	2.8
117.07006	15.5
119.04924	3.1
119.07748	1.8
119.08569	19.4
121.06480	7.9
121.10126	14.2
123.04411	3.0
123.08027	5.2
124.27099	1.2
124.67375	1.2
125.09588	3.0
127.03880	6.7
128.06204	4.3
129.05472	2.4
129.06996	12.3
131.08542	22.9
133.06476	3.6
133.10107	13.1
133.99570	1.1
135.08032	43.0
135.11652	10.7
137.05965	3.2
137.09593	3.1
139.03864	1.6
141.06960	2.4
142.07726	3.4
143.08517	7.8
145.06454	2.4
145.10097	16.7
147.08044	7.4
147.11670	11.4
149.09605	11.4
149.13245	4.4
150.85278	1.3
151.11084	1.5
155.08510	3.9
157.10127	12.7
159.08008	5.5
159.11688	7.8
161.09618	10.3
161.13231	2.0
163.07471	2.8
163.11142	8.2
165.09221	2.3
165.12784	2.2
169.10052	4.0
171.11615	5.8
173.04396	2.9
173.09602	3.5
173.13229	3.2
175.11200	8.5
177.09152	1.5
177.12701	4.7
181.12253	1.5
183.11681	2.8
185.13246	3.5
187.11147	2.5
191.10660	2.7
193.12190	15.1
195.11700	1.5
195.13751	2.8
199.11073	2.1
199.14764	2.8
201.12677	3.0
209.11618	2.0
211.11316	1.3
211.13237	21.2
211.15131	1.9
213.12758	1.8
217.15929	13.3
219.13712	2.0
227.12776	3.2
227.17828	1.7
229.14233	1.4
229.19423	2.2
233.15335	1.4
249.14957	2.6
255.17252	4.2
257.18979	3.5
267.15933	11.5
273.18466	38.4
275.20026	11.3
279.16174	1.7
283.15488	2.1
285.16931	5.4
291.19498	100.0
292.19855	3.8
293.20978	1.4
347.22168	9.3
349.23660	3.9
355.17496	3.5
365.23102	20.2
411.19894	2.4
429.21191	12.4
447.28662	1.6
539.33667	8.0
543.36340	1.9
549.12433	1.4
557.34662	25.1
575.35437	13.8
610.28015	1.5
701.38550	5.3
719.40051	17.5
720.39514	2.1
737.40491	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	737.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.3
53.03939	1.0
55.01858	1.2
55.05501	4.2
57.03428	11.2
57.07055	0.4
59.04998	0.6
61.02914	1.3
62.39290	0.4
65.03928	0.8
66.48299	0.3
67.05494	5.4
69.03413	4.0
69.07063	1.3
70.06580	0.6
71.01339	1.0
71.04978	64.9
71.70067	0.3
71.70427	0.4
72.05322	0.4
73.02905	2.5
73.06542	1.3
75.04465	5.3
79.05486	4.4
81.03415	2.1
81.07039	8.3
81.07484	0.7
83.04964	12.7
83.08610	0.9
85.02888	100.0
85.06518	0.8
86.03220	0.7
86.06083	0.7
86.09669	0.4
87.04451	2.8
91.05459	4.5
93.07028	6.8
95.04956	2.7
95.08592	4.5
97.02862	3.1
97.10167	0.5
99.04436	2.2
101.05998	10.3
101.06635	0.7
103.03909	0.9
105.07007	8.5
107.04924	0.8
107.08566	5.8
109.02859	1.3
109.06497	4.2
109.10133	7.5
109.10871	0.5
111.04420	4.7
111.08105	0.6
115.05417	0.8
117.05491	0.7
117.07013	2.2
119.08566	4.8
121.06456	2.5
121.10123	7.7
123.04370	0.7
123.08051	1.5
123.11678	1.5
127.03902	4.4
128.06207	0.9
129.05453	37.7
129.06870	3.3
130.07835	0.4
131.08537	7.3
133.10103	8.3
135.04344	0.4
135.08034	0.6
135.11668	1.8
137.05962	0.5
137.09595	0.6
139.03857	0.8
139.07524	0.4
141.06985	1.4
141.09105	1.6
142.07765	3.8
143.08527	7.2
144.09128	0.6
145.04970	3.5
145.10103	8.3
147.06496	14.3
147.11659	13.8
147.12846	0.6
149.09595	0.5
149.13243	1.4
151.11160	0.5
153.63412	0.4
155.08473	2.7
157.10097	22.6
158.10490	0.6
159.10287	0.5
159.11658	10.8
161.09665	0.6
161.13242	1.7
163.03905	1.2
163.05991	1.3
163.11194	0.5
167.07028	0.6
169.10059	2.9
171.11642	6.6
173.09499	0.4
173.13232	3.9
175.11211	0.8
179.10675	0.9
181.10184	0.7
182.10954	0.5
183.11707	3.1
185.13214	2.0
186.14018	0.5
187.14787	1.0
195.11621	0.8
196.12532	0.6
197.13225	4.6
199.14787	1.0
209.13220	0.6
211.14777	4.2
212.15697	0.7
213.16367	0.8
215.14229	0.4
223.14824	0.5
224.15604	1.1
225.07698	0.5
225.16254	2.0
227.17990	0.6
229.19507	1.0
230.10455	0.4
237.07521	0.7
237.16357	0.6
238.17108	1.0
251.17871	4.6
253.19473	75.2
254.19832	2.4
255.08699	1.2
255.21065	2.5
265.19482	0.6
269.19022	1.9
271.20526	19.1
272.20895	0.6
273.09601	1.5
277.19513	0.5
281.22556	0.6
309.11716	1.3
311.23596	0.4
313.21588	0.8
315.29224	0.4
319.20535	0.4
337.25128	1.5
345.22153	0.7
363.22983	0.5
375.27094	0.4
381.24060	1.3
393.28036	1.7
399.25259	2.2
411.28928	2.5
415.24902	0.7
417.26431	2.0
431.24280	0.5
433.25815	3.1
573.34387	3.0
579.31586	12.8
580.31879	0.8
737.40900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4093
Annotation	Saundersioside D
Peak:m/z	Relative Intensity
53.03933	6.7
55.01858	6.4
55.05499	9.4
57.03428	15.5
57.07051	3.3
59.04978	2.6
61.02893	1.9
67.05489	30.3
69.03415	13.7
69.07049	6.1
70.06580	1.1
70.98205	2.6
71.01338	2.0
71.04977	71.6
73.02897	2.5
75.04469	6.7
76.34357	0.9
79.05466	11.4
81.03397	6.4
81.07039	44.2
83.04957	18.8
83.08602	2.4
85.02886	100.0
85.06525	23.9
87.04443	2.8
91.05461	13.5
93.07030	13.8
93.77814	0.8
93.78450	1.0
95.04947	25.5
95.08591	19.2
97.02878	6.7
97.06516	4.3
97.10127	1.3
99.04439	6.8
99.08061	3.3
101.05968	1.5
103.05429	1.0
105.07007	18.4
107.04925	4.0
107.08572	11.7
109.02854	48.5
109.06514	6.6
109.10137	20.6
111.04411	7.3
111.08083	2.4
113.05988	1.0
113.09578	1.1
115.05403	1.4
115.07525	2.7
117.06992	5.5
119.08532	11.5
121.06470	6.8
121.10103	7.9
123.04406	60.3
123.08018	10.8
123.11674	5.6
124.05175	3.5
125.05956	4.1
125.09604	14.4
127.03893	3.7
128.06200	2.0
129.05455	29.8
129.06905	6.4
130.07770	1.4
131.08536	14.3
133.06467	1.4
133.10107	13.9
135.08025	3.9
135.11621	3.1
137.05957	4.8
137.09583	8.0
139.11147	7.3
140.07544	0.9
141.06984	2.8
141.09073	14.7
142.07762	3.7
143.08519	10.7
145.04898	2.5
145.10103	13.6
147.06529	8.6
147.07896	6.2
147.11649	6.9
149.09592	4.6
149.13228	2.4
151.03842	0.9
151.11143	9.7
153.09071	1.6
155.08519	5.1
155.10498	1.1
156.09364	1.6
157.10089	23.3
159.07961	1.6
159.11652	8.7
161.09581	4.8
161.13229	2.1
163.11147	3.7
163.58008	0.8
165.09084	88.1
167.08482	1.2
167.10640	8.4
169.10042	4.4
171.08141	1.0
171.11671	8.8
173.09637	1.0
173.13171	2.2
175.07455	0.9
175.11185	2.7
177.12720	1.7
179.10631	57.3
180.09312	0.9
180.10889	1.7
181.10051	2.1
181.12212	5.6
183.10097	4.1
183.11650	4.9
185.13213	3.2
187.11159	1.5
187.14780	1.2
193.10172	1.3
193.12175	1.3
195.11636	3.2
196.12422	1.7
197.13205	3.6
199.11206	0.9
199.14835	1.5
201.12694	1.1
207.11699	2.0
209.11511	1.1
209.13310	2.0
211.11389	0.8
211.13203	1.3
211.14804	11.1
213.16342	44.7
215.14264	1.2
219.11652	0.9
221.13321	1.4
223.14738	2.5
225.16331	2.7
227.17889	3.7
229.15889	5.7
229.19502	1.4
231.17453	3.3
235.14745	1.2
237.16360	3.6
239.17953	1.4
245.18848	1.0
249.16370	5.7
250.16977	0.9
251.17941	5.4
253.19400	2.5
255.08499	1.4
255.17322	2.5
265.19623	0.9
267.17349	2.8
269.18994	2.7
271.20499	3.8
273.18430	1.1
279.21130	4.8
281.19043	1.4
285.18466	1.1
293.18857	1.0
297.22055	5.4
315.23132	2.5
327.23065	1.0
357.26059	1.0
365.28439	1.0
375.26752	14.3
393.27792	47.5
394.28293	2.1
410.96216	0.9
411.28857	44.2
412.29230	1.7
429.29895	12.9
430.30453	1.4
477.28357	1.5
525.36163	1.0
539.33282	2.0
555.33539	2.1
557.34357	2.7
573.34125	23.6
575.35565	2.1
591.35223	9.8
592.35559	1.1
656.26447	1.1
691.39783	1.2
701.38837	4.6
719.39807	48.9
720.40015	3.4
737.40302	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	737.4092
Annotation	Saundersioside D
Peak:m/z	Relative Intensity
52.96718	0.5
53.03930	6.0
55.01855	6.0
55.05499	7.9
57.03426	13.4
57.07067	3.3
59.04992	1.2
61.02929	1.6
65.03947	1.7
67.05495	22.8
69.03419	10.8
69.07052	3.8
70.21555	2.6
71.01335	1.2
71.04981	70.1
73.02901	2.8
75.04466	4.3
77.03906	0.7
79.05486	8.0
81.03409	2.0
81.07043	36.0
83.01344	0.6
83.04968	16.8
83.08604	1.4
85.02893	100.0
85.06532	20.7
86.03217	1.1
87.04465	3.9
91.05460	8.1
93.07028	10.2
95.04955	21.6
95.07999	1.0
95.08590	13.0
97.02879	3.7
97.06517	2.3
98.21373	0.7
99.04439	6.3
99.08108	1.0
101.06014	2.7
103.03896	0.8
105.07013	13.1
107.04939	1.3
107.08570	8.2
109.02861	40.7
109.06497	4.7
109.10136	15.7
111.04436	6.1
111.08073	1.5
113.09611	1.0
115.07569	2.2
117.06999	3.2
119.08559	9.7
121.06480	6.0
121.10136	4.8
123.04410	50.8
123.08051	8.1
123.11697	3.2
124.05184	2.1
125.06001	3.2
125.09608	10.8
127.03899	3.9
127.11153	0.5
128.06163	1.0
129.05460	26.0
129.06889	3.8
130.07678	0.8
131.08545	11.7
133.10106	9.5
135.08022	2.9
135.11690	2.3
137.05986	3.6
137.09595	9.0
139.11160	6.0
139.31270	0.7
141.05412	0.7
141.07050	1.1
141.09082	14.2
142.07761	4.4
143.08549	6.7
145.04939	1.4
145.10106	10.8
147.06497	7.2
147.08022	5.6
147.11667	6.6
149.09613	2.5
149.13261	1.3
151.11172	9.7
153.09117	1.4
155.08546	3.2
155.10645	0.9
157.10104	19.0
159.11664	6.2
161.09602	3.0
161.13245	1.8
163.06052	0.8
163.11136	1.8
165.09093	78.5
166.09384	1.0
167.08499	0.9
167.10652	8.9
168.09253	0.8
169.10109	4.6
171.11641	8.8
173.09662	0.6
173.13242	2.1
175.11215	1.2
175.14761	0.8
177.12761	1.5
179.10645	51.1
180.10995	0.6
181.10173	2.3
181.12192	4.7
182.11005	0.8
183.10135	4.0
183.11696	3.8
184.12488	0.9
185.13248	4.1
187.14803	0.9
193.10092	1.7
195.11682	2.6
196.12405	1.4
197.13226	2.4
198.14073	0.8
199.11127	0.9
199.14861	1.3
201.12712	1.1
207.11647	1.2
209.13226	3.3
211.11444	0.6
211.14792	10.7
213.13005	1.4
213.16348	41.0
214.16696	0.8
215.14352	0.8
215.17989	0.9
219.11819	0.7
221.13435	1.3
223.14810	2.0
225.16342	2.9
227.17825	3.0
229.15863	5.0
229.19363	1.3
231.13806	0.7
231.17514	3.5
234.13893	0.6
235.14780	1.7
237.16331	2.3
239.17947	1.8
241.15564	0.8
242.75781	0.8
249.16292	5.1
251.17906	6.4
253.19455	3.9
255.08669	0.8
255.17433	2.0
267.17432	3.1
269.18951	2.0
271.20435	1.6
273.18591	0.8
277.19534	0.7
279.21017	3.6
281.19031	0.8
285.18558	0.8
291.20865	0.7
293.22427	0.6
295.20566	0.8
297.22079	5.3
301.55115	0.7
309.22305	0.8
315.22998	2.5
327.22946	1.1
365.28122	1.1
375.26727	12.0
376.26840	0.7
393.27811	35.1
394.28043	1.6
411.28888	38.5
412.29132	1.9
429.29965	12.2
477.29153	0.9
539.33856	0.8
555.32709	1.6
573.34131	18.0
574.34424	1.2
591.35205	8.1
691.39996	1.3
701.38910	3.7
719.39880	40.3
720.39935	3.3
737.40094	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	737.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
53.07850	0.7
55.01854	6.6
55.05505	9.2
57.03423	15.3
57.07062	3.8
59.04988	2.1
61.02908	1.4
61.95942	0.8
65.03902	1.8
67.05492	28.3
69.03414	14.0
69.07057	5.6
71.04978	73.4
71.46531	2.1
73.02891	3.2
75.04460	5.0
77.03909	0.9
79.05473	11.3
81.03399	5.2
81.07042	43.3
82.05679	0.8
83.04505	1.3
83.04964	17.0
83.08596	3.4
85.02888	100.0
85.06520	19.7
86.03246	0.8
86.09708	1.1
87.04451	3.3
91.05460	10.6
93.07024	11.9
95.04949	23.5
95.08586	16.9
97.02875	6.4
97.06515	2.4
99.04437	8.2
99.08070	1.7
101.05984	2.1
103.05428	1.0
105.07010	17.4
107.04930	2.9
107.08561	8.8
107.21597	0.9
109.02858	43.5
109.06525	7.1
109.10139	18.1
111.04420	9.1
111.08036	1.7
111.11718	0.8
113.09685	1.0
115.07557	1.6
117.05488	1.5
117.06984	4.5
118.80404	0.8
119.08560	11.3
121.06483	7.8
121.10124	6.0
123.04404	60.3
123.08045	9.8
123.11670	5.8
124.05166	3.1
125.05977	3.3
125.09602	13.8
125.91171	0.8
127.03889	4.3
127.07541	1.1
128.06187	2.6
129.05460	27.8
129.06929	5.0
131.08551	11.7
133.10095	12.4
135.08054	2.2
135.11691	1.9
137.05980	4.5
137.09572	7.9
139.03883	1.1
139.11156	5.7
141.05502	0.9
141.06918	1.1
141.09074	15.6
142.07730	2.8
143.08519	10.3
145.04904	2.2
145.10110	12.0
147.06512	9.4
147.08008	6.2
147.11649	6.5
149.09613	3.6
149.13228	1.9
151.11147	10.4
153.06892	0.8
153.09068	2.9
155.08485	4.5
156.09378	1.3
157.10091	21.6
159.11674	8.5
161.09567	4.9
161.13255	2.0
163.06030	1.3
163.11139	1.5
165.09087	91.7
167.08537	1.7
167.10658	9.5
169.10049	6.0
169.12283	1.4
171.11656	10.5
173.09689	0.9
173.13246	2.3
175.11186	2.0
177.12726	1.2
179.10637	52.4
181.10118	2.7
181.12206	5.4
182.10936	1.1
183.10117	4.0
183.11690	4.1
185.13251	3.0
187.14862	1.8
189.09090	1.2
191.00220	0.8
193.12335	1.1
194.10867	1.2
195.11653	3.1
196.12546	1.6
197.13228	2.4
199.14793	2.6
201.16251	0.9
209.13232	2.9
211.14781	13.2
213.16330	39.3
214.16747	1.7
221.13284	1.5
223.14796	2.1
225.16374	2.4
227.17926	3.7
229.15852	5.4
231.17384	2.2
235.14767	1.1
237.16354	3.9
239.17958	1.7
242.93111	0.8
249.16348	3.3
251.17876	6.1
253.19479	3.9
255.08533	1.0
255.17427	1.5
267.15637	1.4
267.17786	1.1
269.18961	2.9
271.20505	2.8
279.21063	3.5
281.19064	1.0
297.22012	4.2
299.14874	0.9
309.22189	1.0
315.23187	2.9
327.23117	1.0
338.46719	1.0
375.26761	13.6
385.35995	1.0
393.27805	39.7
394.28265	1.0
411.28879	36.7
429.29926	12.5
459.27179	1.1
477.28387	1.4
539.33325	1.4
555.32861	1.0
565.51398	1.0
573.34106	17.6
591.35187	9.7
697.01654	1.0
701.37915	3.5
719.39862	49.6
720.39777	2.2
737.41571	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	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64915	0.4
53.03937	1.2
55.01857	0.9
55.05501	3.8
56.96543	0.4
57.03155	0.7
57.03427	11.1
59.04999	0.8
59.58197	0.3
61.02909	1.2
65.03936	0.5
66.54874	0.4
67.05492	5.2
69.03414	4.0
69.07051	1.3
69.58006	3.1
70.06578	1.0
71.01335	1.3
71.04980	66.3
73.02892	2.1
73.06535	1.2
75.04465	6.1
79.05478	4.4
81.03394	1.4
81.07043	7.9
83.04965	13.0
83.08597	1.2
84.08143	0.5
84.97232	0.3
85.02892	100.0
85.06512	0.9
86.03217	0.4
86.06062	0.8
87.04449	3.2
91.05456	6.5
91.05977	0.7
93.07031	7.1
95.04964	2.5
95.08585	5.0
97.02869	3.5
97.06512	0.7
99.04458	2.4
99.62168	0.3
101.06001	8.8
101.06628	0.5
103.03939	1.0
105.07014	8.5
107.04921	0.6
107.08579	6.4
109.02863	1.7
109.06501	4.6
109.10136	6.5
111.04427	4.6
113.05991	0.5
115.05416	0.6
117.05506	0.4
117.07008	3.3
119.08559	4.4
121.06524	1.9
121.10124	7.5
123.04430	1.7
123.08035	1.6
123.11698	1.5
127.03882	4.0
128.06221	1.3
129.05458	37.1
129.06870	4.1
130.07693	0.5
131.08556	6.4
133.10110	8.5
135.07994	0.7
135.11668	1.4
137.06029	0.5
137.09560	0.7
139.07521	0.5
141.06982	1.4
141.09079	1.6
142.07758	3.2
143.08546	6.4
145.04944	2.8
145.10100	9.0
147.04468	0.8
147.06503	14.3
147.11659	12.8
149.09541	0.6
149.13213	1.2
151.03824	0.6
151.11172	0.5
155.08557	3.1
157.10100	22.2
159.10275	0.6
159.11661	9.6
161.13231	2.2
163.06027	0.9
165.07611	0.5
165.09068	0.9
167.08472	0.6
168.09268	0.6
169.10103	2.7
171.11658	6.7
173.13251	3.4
175.11176	0.9
177.05499	0.6
179.10573	0.8
181.10100	1.2
182.10841	0.5
183.11658	3.1
185.13177	2.5
187.14844	0.6
195.11647	1.2
197.11565	0.7
197.13208	4.3
199.14822	0.9
209.13184	1.0
211.14716	3.5
213.09195	0.4
213.16342	1.7
223.14702	0.7
224.15579	0.7
225.16342	1.7
227.17941	0.6
229.19438	0.9
237.07623	0.6
237.16284	0.5
238.17148	1.7
239.17847	0.8
247.14859	0.4
251.17937	3.4
253.19476	74.6
254.19836	1.9
255.08615	1.5
255.21021	3.5
263.17969	0.4
265.19431	0.8
269.18893	2.2
271.20517	19.9
273.09628	1.3
277.19388	0.5
281.22647	0.6
291.10776	0.6
295.20514	0.7
300.85217	0.4
309.11691	1.1
313.21674	0.9
329.06598	0.9
337.25198	1.1
363.22763	0.6
375.26773	0.7
381.23895	0.8
389.06366	1.3
393.27966	2.1
397.12735	1.1
399.25299	2.3
411.28864	3.3
415.24741	0.7
417.26212	1.8
429.30048	0.7
433.25928	3.1
445.05344	1.0
541.11127	0.9
567.09088	0.9
573.34021	3.7
579.31567	13.2
580.31262	0.5
719.39380	1.0
737.41833	1.8
737.51508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01864	10.2
55.05502	34.1
57.03435	12.5
57.07067	3.5
59.04990	2.9
61.02918	25.0
65.03925	3.6
67.05492	60.8
67.21770	1.4
69.03421	15.4
69.07056	18.8
70.41328	6.5
71.04986	13.4
73.02909	13.3
75.82849	1.5
79.05030	2.3
79.05485	44.0
81.03410	14.8
81.07039	51.2
83.04967	6.7
83.08604	16.5
85.02892	23.4
85.06527	7.2
85.77334	1.5
87.04467	1.9
91.03949	13.1
91.05466	43.8
93.07032	41.1
95.04961	9.4
95.08592	38.3
97.02885	17.7
97.06528	7.2
97.10152	17.2
99.08093	4.9
101.02359	3.0
105.07012	37.8
107.04944	3.8
107.08575	26.8
109.02912	2.5
109.06496	7.9
109.10135	19.4
109.62174	1.6
111.04430	1.7
111.08096	5.2
112.12247	1.6
115.05463	2.6
117.07002	26.3
119.08563	30.7
121.06492	4.5
121.10123	15.6
123.08082	7.5
123.11709	7.4
125.09588	13.0
127.03905	5.5
128.06213	7.2
129.06958	23.1
130.07884	2.1
131.08545	37.1
133.06459	5.2
133.10115	23.0
135.08041	7.5
135.11668	6.9
137.09593	2.6
139.11154	2.3
141.06978	6.7
142.07756	3.5
143.08543	22.2
145.06427	3.6
145.10107	29.8
145.11221	2.4
147.08051	6.1
147.11647	12.5
149.09636	6.7
149.13242	2.4
151.11169	2.6
153.06961	3.0
153.09059	1.7
155.08519	14.4
156.09250	1.7
157.10107	21.3
159.08044	4.5
159.11678	21.5
161.09674	4.7
161.13240	7.2
163.11217	5.0
165.07030	2.7
167.08580	8.8
168.09288	2.8
169.10077	18.6
171.11681	21.4
172.08826	1.6
173.09648	3.9
173.11819	2.3
173.13205	18.0
175.11176	5.6
175.14812	2.6
177.12715	1.8
179.08495	3.4
180.09323	1.6
180.18333	1.5
181.10078	10.0
183.11659	15.6
185.09566	3.9
185.13214	14.0
187.11174	4.3
187.14798	3.6
189.11198	8.0
189.12677	3.3
191.14293	2.3
193.10129	4.0
193.12225	1.6
195.11700	10.7
197.13232	10.1
199.11198	3.2
199.13127	2.4
199.14821	5.4
201.12737	2.6
207.11653	4.4
209.13240	8.3
211.14810	5.2
213.16318	1.9
215.14359	2.0
217.15936	3.8
221.13240	4.5
223.14827	6.9
225.16420	2.5
227.12656	9.9
235.14836	3.8
237.16444	2.5
239.65012	1.8
241.15891	1.9
243.15788	1.8
255.20950	1.7
259.20547	4.1
265.19510	1.9
273.18475	4.9
275.20023	3.1
283.20508	4.9
285.22165	4.5
287.20068	4.4
291.19583	2.7
297.22186	2.9
299.20212	3.2
299.23642	10.4
305.99045	1.5
307.20636	2.3
309.21838	1.9
313.21539	2.0
321.22125	2.8
323.23431	2.0
335.23425	1.6
339.23129	2.9
353.24673	1.9
357.24139	2.7
359.25793	2.3
365.24301	2.4
370.76382	1.9
371.74893	2.0
396.68417	2.0
399.25528	2.0
415.29758	4.9
421.25708	2.8
429.26465	1.9
431.27820	2.0
433.31064	19.5
443.27780	7.2
451.31955	16.7
452.32294	2.1
461.28778	2.2
469.33279	8.8
483.34821	2.5
483.41446	1.8
499.33755	3.6
507.34396	8.4
508.34726	2.0
517.35126	27.0
525.35693	77.6
526.36218	4.5
539.37231	3.2
543.36731	100.0
544.36920	7.4
557.38672	19.7
561.39355	1.6
575.39331	30.9
576.40161	2.4
633.37415	2.3
669.39355	2.1
679.40277	3.3
687.40808	6.7
705.42053	2.7
737.43860	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	737.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01868	16.9
55.05500	28.7
57.03426	11.1
57.07065	2.0
59.04972	2.7
61.02910	2.9
65.03929	4.7
67.05496	82.3
69.03419	20.3
69.07056	26.9
71.04976	34.8
71.69499	2.2
71.69900	2.2
73.02935	2.4
79.05479	52.8
81.03403	43.8
81.07043	100.0
81.79190	2.0
82.07406	2.7
83.04986	14.4
83.08593	12.5
85.02905	9.7
85.06537	7.2
87.04437	2.6
91.05463	65.9
93.07032	50.2
95.04956	17.6
95.08595	34.1
97.02867	14.1
97.06519	21.6
97.10136	9.0
99.04447	8.4
99.08076	3.4
105.07012	51.2
107.04932	15.9
107.08574	37.2
109.02866	8.7
109.06503	8.2
109.10125	21.2
111.04444	6.3
111.08083	5.1
115.05433	2.3
117.06989	15.3
119.05010	3.0
119.08559	35.1
121.06499	9.0
121.10132	17.2
123.04374	2.2
123.08052	6.4
123.11691	8.8
125.09627	6.8
127.03898	7.5
128.06248	2.5
129.05481	3.9
129.06978	12.8
130.07695	1.9
131.08534	25.3
133.06465	6.0
133.10098	33.2
135.04448	2.1
135.08041	6.3
135.11667	11.0
137.05957	1.8
137.09639	6.0
138.43954	2.4
140.45152	2.0
141.06993	1.8
143.08511	7.6
145.06378	2.8
145.10095	17.2
147.08002	4.3
147.11690	21.9
149.09602	15.9
149.13251	8.8
151.11147	9.0
155.08577	5.6
157.10139	9.9
158.07294	1.8
159.08072	2.2
159.11655	17.1
161.09621	4.4
161.13222	5.2
163.11168	7.9
165.07053	2.6
165.09180	2.2
165.12740	4.8
169.10106	4.8
171.08015	3.1
171.11659	6.4
173.04420	15.9
173.09677	3.2
173.11766	3.7
173.13251	4.2
175.11214	4.4
177.12677	6.2
183.11684	5.6
183.13823	3.0
184.39252	2.0
185.13161	4.8
187.11165	3.2
187.13281	5.1
187.14819	3.9
189.11319	3.4
192.09958	2.3
195.11745	2.9
195.13828	4.0
197.13203	3.7
201.14784	2.1
207.13676	1.8
213.12762	1.9
213.14725	2.3
225.14796	3.2
227.12646	4.3
229.14365	3.8
229.19507	2.9
233.15428	2.3
243.15959	2.9
247.20558	4.6
255.10103	6.0
257.19006	7.5
267.15942	5.2
269.17477	7.0
273.18536	3.4
275.20026	53.7
276.20325	2.0
279.15988	2.3
291.19650	3.7
293.21106	7.5
301.20203	3.8
316.07385	2.0
331.22610	4.1
341.21121	2.4
349.23672	19.6
375.25595	2.1
383.22113	2.1
395.20541	3.5
413.21896	2.6
445.24222	3.6
493.16013	3.0
499.34332	3.2
517.35260	32.2
518.35211	2.4
519.36804	3.6
525.35632	7.0
531.36700	3.5
543.36792	30.9
544.36554	3.2
549.37500	3.4
557.37634	2.0
561.38049	2.2
575.39148	9.2
687.40515	7.9
705.41711	5.1
719.42358	6.0
737.43213	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	738.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.38286	0.3
55.01854	0.6
57.03418	0.7
63.20890	0.2
65.40889	0.3
67.05502	0.3
68.17084	0.3
68.99771	0.6
69.03414	0.5
69.69859	2.3
70.06583	3.1
79.05486	0.5
79.08875	0.2
79.74511	0.3
81.03384	0.7
81.07038	0.5
83.01311	1.0
84.08138	0.7
85.02882	0.6
91.05450	1.0
93.07034	0.6
95.04952	1.8
95.08576	0.6
98.20645	0.5
105.03342	0.3
105.06994	0.8
107.04966	0.9
107.08584	0.5
109.02838	1.0
115.05425	0.4
117.06980	1.7
119.04933	1.8
121.02826	0.3
121.06500	2.4
123.04408	19.1
124.04739	0.3
127.03879	0.4
135.04402	1.8
135.08032	1.8
136.07549	1.7
137.05934	1.5
139.03857	1.0
145.06456	2.2
147.03294	0.6
147.04391	8.1
147.07980	0.4
149.05978	1.6
151.03923	1.5
151.36945	0.3
153.05511	0.3
157.06454	0.5
159.08025	0.9
161.05928	1.8
161.09555	0.5
163.03851	1.5
163.06201	0.7
163.07518	10.0
165.05469	4.7
173.05948	5.3
175.03889	0.4
175.07471	0.8
176.04803	0.4
177.05473	0.5
179.03233	0.3
179.07010	3.9
185.05949	0.4
187.07495	0.7
188.06937	0.5
189.05446	0.4
190.08598	12.3
191.06999	48.8
192.07359	1.0
195.11722	0.5
203.06987	2.6
206.09401	0.5
207.06450	0.6
208.09656	69.5
209.10005	1.6
220.09700	0.8
221.07982	0.5
241.12225	0.5
246.93190	0.3
248.15117	0.3
251.10634	0.5
256.13580	0.4
269.11707	0.6
297.11234	0.4
307.09598	0.4
315.12241	2.2
325.10672	4.1
330.48462	0.3
333.13297	3.8
342.13336	1.3
343.11639	3.5
359.13223	0.4
360.14346	100.0
361.14740	3.2
365.27267	0.3
378.15506	1.0
546.36041	0.3
752.58124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04907	0.2
55.05506	0.3
56.05029	0.5
57.07060	0.4
58.06603	0.4
60.08151	6.0
65.46502	0.2
67.05508	0.4
70.03880	0.5
70.04292	0.8
71.07362	3.0
79.05476	0.3
81.03403	0.5
81.07058	0.5
83.08595	0.2
86.09692	27.5
87.10034	0.3
95.08606	0.2
98.98454	2.2
104.10724	1.9
105.43005	0.2
124.99985	18.5
140.37312	0.2
143.00993	0.3
184.07314	100.0
185.07634	0.5
196.88483	0.2
267.15833	0.8
313.27255	0.8
332.01547	0.2
345.64377	0.3
435.98477	0.2
505.38544	0.5
688.33734	0.3
688.45245	5.8
689.44958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64757	0.2
53.03934	1.3
55.01858	0.2
55.05500	0.4
57.03427	1.7
59.61913	0.2
61.02902	0.5
61.15405	0.2
68.09684	0.2
68.99791	0.3
69.03413	3.7
69.38849	0.2
70.03261	1.0
71.04974	7.5
73.02902	1.1
75.04449	0.4
81.03395	4.7
83.01356	0.2
83.04962	1.7
85.02883	17.1
87.04445	0.4
91.03940	0.3
95.04952	0.4
97.02866	7.3
98.21404	0.3
99.04432	7.5
103.03918	9.2
105.03329	0.2
107.04916	0.5
109.02853	5.9
111.00772	0.7
111.04414	1.6
115.03874	0.3
121.02831	2.7
123.04405	0.5
125.02225	0.2
127.03886	17.0
129.05440	2.0
133.02803	0.4
135.04381	0.4
137.02310	0.4
145.04927	7.5
145.06107	0.4
147.04335	0.5
147.06491	0.5
148.67632	0.2
151.03864	0.2
153.01787	2.4
163.05974	1.8
165.01778	1.3
167.06941	0.2
169.04948	0.5
183.02850	0.7
185.05946	0.3
187.05983	1.7
193.27225	0.2
199.06001	0.2
203.03464	0.2
205.07031	0.3
209.05902	0.2
213.05434	1.1
218.18924	0.2
231.06464	0.4
233.33682	0.2
237.07600	0.3
241.04892	0.7
253.06998	0.3
258.05173	0.7
259.06033	0.3
271.08109	1.8
275.70767	0.2
283.05804	0.3
286.04620	0.3
287.05432	100.0
288.05780	2.6
289.09036	0.8
293.24261	0.2
299.05478	1.6
300.06030	0.4
307.10056	0.2
311.05389	0.8
317.06152	0.2
325.07059	0.4
329.06494	5.2
337.07001	0.4
351.08514	0.2
353.06467	1.6
379.07938	0.7
381.11664	0.2
395.07559	0.5
397.09064	2.1
415.10205	1.0
431.09750	0.2
433.11215	2.7
487.25601	0.2
491.06039	0.3
575.13916	0.3
610.28040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82318	2.7
53.03937	15.3
55.01855	31.3
55.05505	38.8
57.03421	23.8
57.07057	4.4
59.04966	2.9
61.02919	18.8
65.03912	6.5
67.05137	4.7
67.05492	93.5
69.03423	20.5
69.07049	30.7
70.88091	5.9
70.88463	6.9
71.04965	13.7
73.02895	11.8
79.05479	86.3
81.03402	71.1
81.07047	77.9
81.07510	1.7
83.04962	32.6
83.08600	29.3
85.02888	40.5
85.06493	4.9
85.58601	3.0
91.03931	9.2
91.04923	6.3
91.05464	100.0
93.07026	79.3
95.04954	40.4
95.08588	41.9
97.02879	22.4
97.06516	49.7
97.10135	22.6
98.20896	5.0
99.04403	3.7
105.07014	77.5
107.04942	34.5
107.08574	57.8
109.02876	4.5
109.06491	17.9
109.10122	21.5
111.04429	8.2
111.08040	13.5
115.05447	3.0
117.07000	25.5
119.08557	59.6
121.06491	12.8
121.10136	27.3
123.01971	3.1
123.08039	10.5
123.11680	4.7
125.09604	24.0
127.03864	8.0
129.06978	22.5
131.08534	39.2
133.06465	6.4
133.10106	43.5
135.08031	11.4
135.11659	11.6
137.09584	8.6
139.03873	3.7
139.07478	4.8
141.06915	5.0
142.07724	3.9
143.08519	12.1
145.06392	4.7
145.10103	26.4
147.08009	7.4
147.11667	34.9
149.09605	41.9
150.38594	2.7
151.11214	3.9
155.08516	7.6
157.10086	21.5
159.11694	16.0
161.09546	3.0
161.13226	7.1
163.11151	16.0
165.09071	2.9
165.12738	5.5
169.10136	6.4
169.12305	3.2
171.11636	8.3
173.09665	4.6
173.13229	10.5
175.11119	19.9
177.12677	6.6
179.14195	3.3
183.11678	4.0
185.13266	5.7
189.11205	18.2
189.12721	3.8
191.14166	4.5
193.12216	53.0
205.12242	2.9
211.13239	68.4
213.88104	3.0
227.12715	42.8
229.14291	5.8
247.20551	4.2
257.18939	10.2
267.15878	33.9
275.17145	6.0
275.20026	89.3
285.16901	56.2
291.19427	4.4
293.21021	5.7
304.08566	3.4
317.21118	3.3
331.22473	4.8
349.23663	55.7
437.25293	13.3
445.29138	4.2
455.25473	5.1
463.30475	6.0
467.31766	4.5
541.34955	30.3
559.36243	51.9
577.37115	27.5
703.39386	4.5
721.40704	5.4
739.37384	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	739.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.79692	0.5
55.01854	2.6
55.05494	4.0
57.03427	5.5
57.07066	0.5
58.47610	0.4
59.03408	0.4
61.02916	6.9
65.03928	0.7
67.05496	9.2
69.03419	22.5
69.07056	41.9
69.92582	2.5
70.06551	0.5
70.07375	0.5
71.01352	0.4
71.04987	2.8
73.02893	2.7
73.06550	5.9
79.05473	7.5
81.03401	10.5
81.07041	15.8
83.01339	0.8
83.04980	0.6
83.08591	1.4
85.02891	63.0
86.03226	0.6
87.04459	3.5
91.03956	3.0
91.05465	8.4
93.07032	11.5
95.04972	2.5
95.08590	8.6
97.02876	19.9
97.06516	10.7
97.10183	1.0
99.04441	4.5
99.08078	1.3
101.02336	0.5
105.07012	13.3
107.04932	0.9
107.08575	13.7
109.02859	6.6
109.06500	17.4
109.10136	15.1
111.08096	0.5
111.11765	0.5
115.03938	0.7
115.05402	1.2
115.07549	23.2
117.06996	4.6
119.08556	8.2
121.10119	16.8
123.08083	0.6
123.11691	3.8
125.09629	1.9
127.03895	13.6
127.07462	0.5
127.11161	2.6
127.60594	0.5
128.06190	1.4
129.06978	6.2
130.07788	0.5
131.08542	12.9
131.68596	0.4
133.10103	18.6
135.11662	4.2
137.05962	0.6
137.09604	1.0
137.13168	0.4
141.06984	1.8
142.07767	5.8
143.08536	10.0
144.09322	0.8
145.04942	9.6
145.10103	13.8
145.12144	0.8
147.11662	23.7
149.09590	1.0
149.13225	5.8
151.11166	0.9
155.08511	4.2
156.09311	0.6
157.10100	50.9
158.10484	1.2
159.11670	22.2
160.11977	0.6
161.09560	0.5
161.13242	4.8
163.05986	1.4
163.11139	1.0
163.14789	1.0
165.09105	4.1
167.08530	0.9
167.10646	15.1
169.10101	3.8
171.11658	9.6
173.13219	6.3
175.11209	2.0
175.14801	1.5
177.12721	0.5
181.10112	0.5
182.10858	1.0
183.11636	5.1
185.13237	4.5
187.14752	1.4
195.11717	0.7
196.12427	0.5
197.11584	0.4
197.13234	10.2
197.15004	0.4
198.14006	0.5
199.14789	1.8
209.13284	1.2
211.14777	5.6
212.15422	0.4
213.16382	2.2
223.14824	1.2
224.15547	1.5
225.16348	3.7
227.18066	0.4
229.19412	0.4
238.17204	1.5
239.17699	0.5
251.17860	3.1
253.19475	100.0
254.19746	2.8
255.21063	5.8
255.23555	0.9
265.19424	0.8
269.13779	0.9
269.18967	0.7
271.20517	43.3
272.20892	0.9
283.24191	7.5
313.21548	0.6
379.29938	4.1
397.31021	5.0
415.24579	0.5
415.31985	3.6
418.55423	0.6
433.25787	44.9
434.26193	1.7
488.04407	0.4
559.36292	0.8
577.37268	43.5
578.37396	2.1
624.64038	0.6
703.39868	0.8
739.42493	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	739.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01846	2.4
55.05502	4.1
57.03197	0.6
57.03431	5.6
61.02916	7.5
62.61932	0.5
65.03915	0.6
67.05488	8.6
69.03043	1.2
69.03416	21.7
69.07053	39.4
70.06535	0.5
70.27831	0.5
71.04977	4.1
71.14934	1.0
71.15262	0.9
73.02905	3.0
73.06544	6.2
79.05476	7.5
81.03402	9.4
81.07040	15.9
83.01313	0.8
83.08592	0.8
85.02887	64.0
86.03233	0.8
87.04465	3.4
91.03930	2.2
91.05459	8.8
93.07031	8.6
93.50495	0.5
95.04945	2.2
95.08584	8.8
97.02871	20.1
97.06503	10.5
97.10123	0.7
99.04446	3.3
101.02374	0.6
105.07008	14.6
107.04926	1.4
107.08570	13.6
109.02860	7.7
109.06496	17.7
109.10129	15.5
109.12634	0.5
115.03880	0.7
115.07551	22.5
117.06995	4.3
119.08548	7.5
121.06438	0.7
121.10119	15.6
123.07986	1.3
123.11684	3.7
125.09619	1.7
127.03886	12.8
127.11147	1.5
128.06160	0.8
129.05496	0.6
129.06982	6.6
130.07681	0.7
131.08537	12.4
133.10097	15.1
135.11679	3.8
141.06938	2.2
142.07745	5.6
143.08530	9.3
144.09377	0.9
145.04941	11.4
145.10098	12.7
147.11656	21.6
149.09554	1.0
149.13225	5.3
151.07465	1.0
151.11182	1.3
155.08525	3.9
156.09270	0.8
157.10097	51.0
158.10419	0.9
159.11665	21.0
161.13226	4.7
163.05981	1.1
163.11162	1.0
163.14789	0.8
165.09076	1.5
167.10645	12.8
169.10106	4.2
171.10204	0.6
171.11653	11.2
173.13226	6.1
175.11182	2.1
175.14859	1.2
177.12834	0.5
181.12207	0.6
182.10823	0.7
183.11667	5.3
184.12090	0.6
185.13266	4.5
186.13989	1.0
187.14781	1.5
195.11597	1.0
195.83067	0.5
197.13237	7.5
199.14749	1.7
201.16386	0.7
209.13277	1.3
210.14130	0.7
211.14755	5.2
212.15651	0.5
213.16319	1.9
223.14754	0.7
224.15567	2.7
225.16393	3.9
225.18295	0.7
227.17828	0.9
237.16406	0.6
238.17142	1.7
251.17894	2.4
253.19464	100.0
254.19939	3.0
255.21021	6.8
265.19431	1.2
269.13620	0.8
269.18832	0.9
271.20508	46.5
272.20825	1.2
277.19418	0.7
283.24188	6.5
299.23486	0.8
301.25101	0.8
316.65121	0.6
351.02676	0.7
379.29837	3.2
397.30786	3.7
415.32089	3.3
433.25797	44.7
434.26126	1.0
559.35889	1.4
577.37231	45.3
578.37183	1.6
685.39313	0.8
739.42938	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	740.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01865	2.6
55.05500	14.3
57.03427	8.4
57.07057	1.8
57.31760	0.6
65.03923	2.6
65.79664	0.6
67.05491	42.8
67.82808	0.7
69.03404	2.0
69.07053	13.1
70.94052	1.4
71.02838	0.6
71.04970	2.6
73.02907	1.9
73.74812	0.6
79.05476	41.9
80.70662	0.7
81.03397	1.5
81.07037	43.1
83.01346	0.6
83.04967	4.4
83.08598	9.9
85.02885	0.6
85.06531	0.8
91.05460	15.9
93.07023	50.1
95.04942	8.6
95.08582	58.5
97.02854	5.0
97.06515	4.7
97.10133	1.2
99.04423	5.3
99.08068	1.2
103.05439	1.0
105.04534	0.8
105.07007	11.0
107.04935	7.1
107.08572	35.2
109.06509	2.2
109.10124	11.3
110.43528	0.7
111.04414	1.3
111.08048	1.9
113.06004	0.9
117.06999	11.0
119.08554	16.1
121.06484	6.6
121.10114	22.6
123.11692	3.0
125.05968	3.6
129.28758	0.8
129.73616	0.7
130.07748	2.2
131.08499	3.4
133.10103	6.5
135.07999	1.9
135.11667	53.8
136.11974	0.7
137.13234	0.7
139.07512	2.5
143.08513	0.7
145.06529	0.9
145.10095	30.5
147.11667	3.1
149.13202	3.7
153.12688	1.3
155.08405	0.9
159.11699	2.3
161.13246	1.5
163.11147	60.6
164.11494	1.1
173.09627	0.9
173.13254	2.1
175.14789	0.9
177.16423	0.8
181.12192	11.0
187.14787	1.1
209.11681	1.6
227.12732	87.3
228.13062	1.0
233.22430	0.8
243.21078	2.3
261.22070	9.6
283.15344	100.0
284.15665	2.0
305.02393	0.8
317.24661	2.4
335.25717	99.3
336.26151	2.8
410.79822	0.7
469.33029	0.9
543.36713	85.7
544.36871	3.0
732.38293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.9
55.01867	2.0
55.05499	12.5
57.03426	7.5
57.07044	1.0
61.02886	1.1
65.03891	1.7
67.05494	35.9
69.03374	1.4
69.07053	9.8
71.04990	1.9
77.03864	0.6
77.97594	0.4
79.05479	29.8
81.03358	1.3
81.07040	36.3
83.04963	2.0
83.05340	0.4
83.08606	7.5
85.02869	1.0
85.06477	1.1
91.03945	0.6
91.05462	12.6
93.07027	40.1
95.04954	4.5
95.08586	42.9
97.02872	3.0
97.06497	3.2
97.10114	1.2
98.21463	1.0
99.04440	2.6
99.08041	1.2
103.05413	0.5
105.04485	0.6
105.07016	9.9
107.04941	5.0
107.08572	26.2
108.08882	0.5
109.06464	1.9
109.09419	0.7
109.10133	10.6
111.04417	0.9
111.08035	1.6
113.05936	0.4
115.05402	0.5
117.06297	0.5
117.06992	7.2
119.08563	11.0
121.06514	2.9
121.10124	16.8
123.08028	0.9
123.11703	2.7
125.05930	1.8
125.09616	0.6
130.07715	1.6
131.08517	3.8
133.10106	6.0
135.07973	1.5
135.11665	39.3
136.11972	0.4
136.67297	0.4
137.13187	0.6
139.07463	0.7
143.08507	1.0
145.10095	21.0
147.11678	2.0
149.13237	2.9
153.12810	0.5
159.11644	1.9
161.13158	1.6
163.11151	40.4
163.14767	1.6
164.11400	0.6
173.13223	2.1
175.14771	0.6
177.16341	0.5
181.12199	6.4
184.07135	0.7
187.14760	0.9
200.91426	0.4
201.16286	0.7
209.11531	0.9
227.12737	52.2
228.13080	1.0
230.05779	0.5
243.21054	2.6
261.22070	7.2
263.65555	0.4
266.46353	0.5
283.15344	45.4
284.15695	1.0
317.24597	1.9
322.71124	0.4
335.25739	100.0
336.26163	3.0
496.66153	0.4
543.36725	66.9
544.37067	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	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.0
55.05507	11.5
55.09229	1.2
57.03415	5.0
57.07069	1.4
61.02921	1.7
65.03922	2.4
67.05495	32.9
69.07053	17.6
70.76268	5.1
77.05201	1.2
79.05481	22.3
81.03391	5.1
81.07043	46.5
83.04951	4.6
83.08591	8.2
91.05468	30.5
93.07036	30.6
95.01311	3.5
95.04942	4.8
95.08589	18.8
97.06516	11.8
98.20665	1.3
105.07011	33.7
107.04934	6.9
107.08583	16.5
109.06520	2.4
109.10127	5.6
111.08047	3.7
117.07003	9.3
119.08572	17.1
121.06442	1.5
121.10124	8.2
123.08047	1.8
123.11642	2.5
129.06987	1.9
131.08536	13.3
133.10106	23.0
135.08011	1.5
135.11644	8.6
143.08548	2.1
145.10100	8.5
147.11641	8.0
149.09578	3.0
149.13246	7.8
157.10071	2.0
159.11673	6.1
161.13251	2.1
163.11172	5.1
169.10097	1.9
173.13168	2.1
177.12761	1.7
179.14284	5.6
192.13737	1.4
195.13739	2.0
227.12779	3.2
247.20685	1.5
257.19086	1.6
269.17438	27.0
275.20020	31.4
283.15399	3.8
293.20993	1.5
335.25711	8.5
349.23788	10.2
525.35736	1.7
538.62158	1.2
543.36719	100.0
544.37024	3.2
654.80518	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	11.6
55.05503	11.9
57.03439	5.8
57.07045	1.6
65.03892	1.5
67.05495	32.7
69.07056	19.1
69.53506	10.8
71.04980	2.6
79.05484	23.3
81.03403	4.6
81.07043	47.7
83.04964	7.3
83.08597	7.9
85.02901	1.3
85.06522	1.6
91.05463	26.9
93.07027	30.9
95.01313	2.9
95.04947	6.5
95.08591	19.5
96.08903	1.2
97.06516	16.7
97.10131	3.3
98.20864	3.9
98.21436	1.7
99.08052	1.7
105.07015	42.8
107.04929	9.1
107.08578	18.3
109.10134	5.2
111.08035	3.3
115.05402	1.3
117.06985	11.5
119.08563	18.2
121.06473	3.8
121.10114	9.9
129.06967	1.9
131.08565	12.9
133.10103	22.0
135.08078	1.6
135.11667	7.3
137.09595	1.5
143.08505	1.9
145.06450	1.6
145.10101	8.4
147.11685	7.3
149.09613	3.4
149.13225	9.7
151.11179	1.6
157.10109	2.0
159.11707	8.3
161.13229	2.0
163.11169	2.7
165.12627	1.4
169.10132	2.1
171.11653	1.7
173.13292	2.1
177.12715	3.1
179.14241	5.4
180.94435	1.3
187.11145	2.4
189.07996	1.2
195.13812	2.4
197.13199	1.5
219.14008	1.3
227.12721	2.2
251.16545	1.3
257.18958	2.9
269.17429	32.1
275.19989	34.8
279.16147	1.8
283.15271	1.6
293.21072	2.2
335.25729	3.4
349.23727	10.9
358.36673	1.2
422.17505	1.2
525.35553	2.4
543.36713	100.0
544.36798	3.2
561.37805	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.222
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03926	0.5
55.01851	0.3
55.05486	0.9
57.03426	2.4
61.02901	0.6
68.99782	0.3
69.03426	1.4
71.01336	0.3
71.04981	13.0
71.69797	0.3
73.02913	1.2
75.04440	0.9
81.03395	0.7
83.04501	0.4
83.04964	3.7
85.02893	19.9
87.04442	0.7
95.04948	0.6
97.02882	1.6
99.04423	0.9
107.04967	0.4
108.10946	0.2
109.02858	0.6
109.06493	0.2
111.00783	0.8
111.04434	2.5
113.05944	0.4
117.05466	0.6
121.02851	1.9
123.04421	0.4
127.03907	1.2
129.05458	5.0
133.02812	0.3
135.04375	0.3
136.07550	0.4
137.02306	0.5
137.06000	0.2
145.04927	0.7
145.06335	0.2
147.04361	0.5
147.06483	1.7
153.01826	2.6
153.05424	0.6
154.50494	0.2
157.04913	0.2
157.06479	0.2
163.05968	0.8
164.07048	0.7
165.01810	1.6
171.06549	0.3
175.03915	0.3
183.02913	0.4
185.05925	0.2
201.07578	0.3
213.05461	1.1
213.07307	0.3
217.71404	0.2
231.06473	0.4
239.09055	1.1
241.04877	0.9
257.10046	0.3
258.05124	1.1
259.05881	0.4
275.11188	0.4
287.05457	100.0
288.05786	4.0
299.05496	0.8
303.04889	0.3
311.05466	0.3
329.06488	1.7
353.06464	0.6
365.93518	0.3
385.12491	0.9
397.09018	0.6
415.09943	0.6
433.11285	1.1
448.83627	0.3
449.10651	1.4
498.41159	0.2
659.52698	0.2
673.25342	0.3
723.43927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01851	0.5
55.05487	0.7
57.03425	2.4
61.02916	0.5
65.40275	0.2
67.05492	0.4
68.99784	0.5
69.03407	1.7
69.79872	1.6
70.06578	0.3
71.01331	0.4
71.04978	13.5
73.02892	1.6
75.04456	0.9
79.05466	0.3
81.03381	0.6
83.04964	4.4
84.08058	0.3
85.02886	18.7
87.04459	0.5
90.45570	0.2
91.73420	0.2
95.04938	0.8
97.02875	1.4
98.21449	0.3
99.04447	1.1
101.05878	0.2
105.36398	0.2
107.04911	0.4
109.02860	0.5
111.00767	0.4
111.04413	2.7
113.05982	0.5
117.05450	0.7
121.02859	2.2
127.03888	1.5
129.05457	5.6
133.02762	0.2
135.04282	0.3
137.02286	0.5
139.03860	0.3
145.04919	0.7
145.06645	0.2
147.04428	0.2
147.06479	2.1
153.01797	2.9
153.05424	0.6
155.93971	0.2
163.03825	0.5
163.06001	1.1
165.01781	1.2
171.06473	0.3
183.02855	0.4
185.05931	0.3
195.26060	0.2
197.05940	0.3
207.02617	0.3
213.05415	1.0
231.06485	0.7
239.09125	0.8
241.04883	0.6
257.10178	0.4
258.05145	0.7
259.05835	0.5
275.11212	0.5
287.05435	100.0
288.05768	4.2
299.05472	0.7
325.06985	0.3
329.06577	1.5
353.06497	0.4
397.08899	0.6
415.10141	0.5
433.11148	1.2
449.10580	1.2
460.67929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.222
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03926	0.4
55.05497	0.6
57.03430	2.7
61.02889	0.4
61.25474	0.4
67.05478	0.4
68.52096	0.3
69.03416	3.0
69.07045	0.3
70.06561	1.0
71.04977	13.8
71.70211	0.4
73.02894	1.2
75.04465	0.9
81.03380	1.0
81.07028	0.3
83.04971	2.9
85.02888	19.9
87.04435	0.7
95.04947	1.0
97.02863	1.0
99.04431	1.0
107.04932	0.7
109.02840	1.2
111.00737	0.4
111.04442	2.0
113.05989	0.5
117.05469	0.9
120.08121	0.4
121.02845	2.5
123.04460	0.4
127.03898	1.6
129.05455	5.6
133.02826	0.4
137.02280	0.9
137.05934	0.6
139.03851	0.7
140.07047	0.4
145.04884	0.9
147.06456	1.4
151.03883	0.5
152.07030	0.6
153.01801	2.8
153.05423	0.9
153.68463	0.4
163.03886	0.6
163.06024	0.7
165.01822	1.3
167.07010	0.6
183.02815	0.7
185.05873	0.4
213.05466	0.7
229.04913	0.4
231.61288	0.3
239.09087	0.5
241.04951	1.0
258.05219	0.8
259.05978	0.4
287.05444	100.0
288.05847	2.3
295.76855	0.3
299.05402	0.8
303.04889	1.0
311.05469	0.6
316.05661	1.1
329.06302	1.7
331.08105	2.6
332.05191	0.5
347.07544	1.3
357.10602	0.4
369.37918	0.3
379.08270	0.5
380.17105	0.5
397.09335	0.6
415.10095	0.4
433.10919	1.9
449.10724	1.3
741.29510	0.5
741.54645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
53.36133	0.6
54.08370	0.6
55.01862	2.0
55.05504	7.4
57.03413	2.3
57.07052	1.1
61.02896	1.7
65.03915	0.7
65.60241	0.6
67.05497	6.9
68.99784	0.8
69.03086	0.9
69.03420	8.7
69.07058	9.2
70.06585	1.2
70.26125	1.0
70.26490	2.8
71.04974	1.4
73.02894	1.7
79.05492	4.4
80.13144	0.5
81.03403	11.3
81.07043	17.5
83.01341	1.3
83.04971	1.4
83.08601	4.9
85.02899	8.9
85.06536	1.2
87.00818	4.1
91.05466	3.7
93.07028	7.1
95.01311	1.7
95.04954	2.2
95.08594	15.2
97.02884	5.0
97.06512	1.9
97.10157	3.5
99.00792	4.8
99.04443	5.4
99.86227	0.7
103.05505	0.7
105.01827	1.7
105.07013	4.4
107.04922	1.3
107.08584	5.1
109.02837	7.1
109.06502	1.7
109.10141	11.8
111.04473	0.7
111.11690	0.7
113.02345	0.7
115.05428	0.6
117.01814	1.9
117.07009	1.0
119.08551	3.7
119.91210	0.6
121.06466	3.2
121.10118	3.3
123.08013	1.2
123.11695	5.4
125.05970	1.3
125.09631	1.3
127.03901	7.5
129.01799	0.8
130.07726	0.7
131.08574	1.9
133.06464	1.5
133.10112	3.6
135.04333	0.9
135.08006	1.1
135.11638	1.5
137.05930	2.6
137.09554	1.1
137.13223	0.6
137.92349	0.5
139.03871	0.8
139.07512	1.2
143.08563	1.6
145.04945	1.8
145.10126	1.8
147.08052	0.9
147.11664	2.6
149.05994	1.9
149.09579	1.7
149.13223	1.0
151.07536	2.0
151.11136	1.2
153.05415	3.4
155.07034	1.6
155.08325	0.6
157.10152	1.3
159.02855	3.0
159.11612	0.8
161.05968	1.3
161.09679	0.6
161.13237	1.6
163.03876	1.8
163.07516	1.5
163.11172	1.1
165.09084	2.2
167.07115	0.7
171.08057	1.4
175.07526	2.6
175.11151	1.2
177.05438	5.0
177.09068	2.0
179.10707	1.0
181.04932	10.2
183.06473	4.7
183.11697	0.7
189.09077	14.9
191.06998	1.8
191.10698	0.8
193.12311	0.6
195.06494	23.9
196.06882	0.7
201.09048	0.8
203.10678	2.6
205.08601	1.1
207.06567	2.1
209.08064	10.4
217.12170	0.8
221.08139	1.4
223.09619	18.9
235.09573	1.9
237.11188	18.1
247.09558	0.8
249.11172	13.7
251.12781	4.3
261.11166	1.6
263.12704	4.1
265.14316	1.9
277.14355	2.3
279.16000	1.0
289.14282	1.7
291.15924	1.8
293.17612	1.5
303.15921	2.5
305.17538	1.5
307.19119	1.7
317.17426	1.9
319.19031	2.0
331.18903	1.1
404.93188	0.7
429.29895	5.9
439.28033	0.9
457.29446	17.1
475.30496	100.0
476.31113	6.2
493.31546	74.5
494.32327	4.3
741.37164	1.6
742.40955	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
54.60970	0.6
55.01826	2.5
55.05503	17.9
57.03425	15.4
57.07031	1.5
59.04937	0.8
61.02911	4.7
65.03886	2.4
67.05492	51.7
68.04064	0.6
68.05801	0.7
69.03421	4.0
69.07055	14.7
69.88821	4.2
71.04981	3.8
73.02880	1.2
79.05479	42.4
81.03405	45.2
81.07042	53.6
83.04964	11.5
83.08604	19.4
85.02889	19.3
85.06509	3.4
91.03889	1.8
91.05464	34.1
93.07027	41.9
95.02536	0.5
95.04955	23.2
95.08589	34.9
96.08851	0.8
97.02885	4.0
97.06506	5.4
97.10149	4.6
99.08037	1.5
105.04478	0.8
105.07010	23.7
107.04945	4.4
107.08576	21.8
109.05858	0.6
109.06507	5.7
109.10130	13.6
111.04382	2.6
111.07433	0.6
111.08056	6.8
113.05933	1.8
115.05345	1.2
117.07005	5.6
119.04935	0.7
119.08558	21.4
121.06424	1.7
121.10130	21.3
123.07989	2.2
123.11700	5.1
125.09563	1.9
127.03901	0.7
127.07535	0.8
129.06984	7.4
131.08548	15.9
132.16151	0.5
133.06409	2.1
133.09172	1.0
133.10110	13.4
135.07986	0.9
135.11664	8.5
137.09610	1.3
137.13187	1.2
139.11096	0.9
142.07712	1.9
143.08481	1.4
145.10101	6.3
147.07970	2.0
147.11659	16.6
148.30219	0.5
149.09593	4.4
149.13213	4.6
151.11047	1.1
157.10114	11.2
159.11642	4.6
161.13214	3.2
163.11107	0.7
163.14738	2.0
165.12674	2.3
171.11676	1.1
173.13231	3.1
175.11142	9.6
175.14742	1.8
184.07355	0.7
185.13260	0.9
187.14772	1.9
193.12206	33.0
194.12555	0.9
199.14688	1.2
201.16304	0.7
211.13255	50.2
212.13556	1.1
229.14215	0.7
243.21051	3.4
244.84058	0.7
249.14693	0.9
259.20496	0.9
261.22125	11.0
267.15845	12.9
269.17392	1.5
274.54941	0.7
277.21744	0.8
279.23199	0.6
285.16919	50.9
286.17282	1.7
301.25275	0.8
317.24686	2.5
335.25745	88.7
336.26035	2.0
435.32523	1.3
453.33646	1.9
471.34668	1.3
494.96933	0.6
527.37195	12.2
528.37427	0.9
545.38293	100.0
546.38611	4.8
592.64703	0.7
609.75787	0.7
702.73456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
53.44848	1.4
55.01860	3.6
55.05503	34.0
57.03434	22.6
57.07058	3.4
59.04997	1.9
61.02918	7.4
62.67191	1.3
65.03919	5.6
67.05495	70.6
68.05828	1.9
69.03417	4.4
69.07063	20.5
71.04974	9.1
73.02917	3.7
79.05479	57.3
81.03405	74.7
81.07041	73.6
83.04967	25.9
83.08606	32.8
85.02885	34.8
85.06528	4.2
89.41357	1.6
91.03946	3.6
91.05462	51.3
93.07031	57.4
95.04951	33.0
95.05514	2.5
95.08591	49.1
96.08881	1.9
97.02869	6.0
97.06528	7.0
97.10160	6.2
99.08041	2.4
101.05193	1.4
105.07013	40.3
107.04950	6.6
107.08573	28.6
109.06494	7.3
109.10143	19.2
111.04423	4.4
111.08052	13.4
113.05997	1.7
115.05449	1.5
117.06986	8.0
119.07719	3.3
119.08552	33.0
121.10128	29.0
121.42667	1.4
123.08052	4.3
123.11682	7.1
125.09682	3.0
129.06992	13.4
131.08554	25.9
131.09471	2.8
133.06439	1.7
133.10100	24.0
135.11678	14.8
137.09558	3.3
137.13258	1.7
142.07712	2.5
145.10059	7.9
147.08072	2.8
147.11655	19.3
149.09586	8.0
149.13237	7.1
157.10112	17.3
159.11673	5.9
161.13251	3.4
163.11099	1.7
163.14845	2.4
165.12718	5.0
173.13295	4.6
175.11169	17.6
175.14722	1.7
187.14822	1.9
193.12212	61.3
194.12654	2.3
211.13255	93.4
212.13571	2.2
227.12914	1.7
243.21066	2.7
251.95763	1.5
261.22137	12.3
267.15848	21.6
285.16904	95.2
286.17163	5.6
301.42920	1.7
317.24631	2.9
335.25766	94.4
336.26190	4.8
435.32245	2.2
453.33423	2.6
527.37152	13.9
545.38312	100.0
546.38733	11.4
681.09705	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	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
54.79795	1.8
55.01859	2.9
55.05505	28.5
57.03426	15.0
57.07047	4.7
61.02907	2.3
65.03910	3.3
67.05495	84.9
69.03414	4.3
69.07059	30.8
70.88224	3.9
71.04968	6.7
73.44807	1.6
76.19740	1.7
79.05482	72.5
80.05830	1.9
81.03402	13.3
81.07046	100.0
82.94874	1.8
83.04977	11.5
83.08614	22.2
85.02874	6.3
85.06525	4.7
86.09697	3.7
91.03925	2.3
91.05466	70.3
93.07036	87.5
94.07353	2.6
95.04958	16.9
95.08589	46.3
97.02866	5.4
97.06509	11.3
97.10128	3.6
99.08045	4.6
105.07018	60.4
107.04964	3.3
107.08581	50.4
107.09328	2.8
109.06486	5.9
109.10146	14.4
111.08054	6.9
117.07007	27.0
119.08568	46.1
121.06460	5.8
121.10130	31.2
123.08066	2.2
123.11687	7.9
124.99942	2.3
125.09597	2.9
129.06984	10.6
131.08551	32.0
133.10120	47.6
135.08072	3.9
135.11668	29.6
143.08548	8.2
145.10110	17.5
147.08029	2.9
147.11659	39.3
148.11908	1.7
149.09587	7.1
149.13242	25.8
151.11143	5.7
155.08572	3.0
157.10103	11.6
159.11691	22.4
161.13249	21.8
163.11165	2.3
163.14786	2.3
165.12759	3.3
169.10170	2.3
171.11650	10.5
173.13280	10.9
175.11215	2.3
175.14787	8.7
177.12726	7.0
183.11584	2.5
184.07303	9.8
185.13228	8.3
187.14766	5.1
189.12744	2.1
189.16342	1.7
193.12238	5.7
195.13728	19.1
197.13274	2.4
199.14838	5.4
201.16315	2.1
211.13181	2.1
212.48480	1.9
219.17517	1.8
231.21060	6.6
241.19464	30.4
243.21150	4.2
259.20554	75.3
260.20892	3.0
261.22076	6.8
267.15915	22.7
269.17435	88.0
270.17664	2.9
285.16943	5.0
297.16119	2.0
315.23248	9.5
333.24185	84.2
334.24487	5.6
335.25754	20.1
367.22598	2.0
416.16663	2.5
435.32394	6.0
453.33261	6.5
471.34598	2.4
509.36081	3.7
527.37286	71.2
527.45245	3.4
528.37402	5.5
545.38367	27.0
546.38678	3.7
671.41248	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	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01851	2.8
55.05500	26.7
57.03426	19.3
57.07059	4.5
60.08148	1.6
61.02913	2.9
65.03924	4.7
67.05496	85.8
68.13623	1.4
69.03420	1.7
69.07060	29.9
70.30450	6.2
71.04980	6.6
73.02895	2.1
79.05481	68.2
79.46025	1.6
81.03397	7.7
81.07039	100.0
82.25031	1.8
83.04958	7.0
83.08603	16.1
85.02892	4.4
85.06526	6.3
86.09707	3.7
90.11439	1.9
90.76793	1.4
91.05463	73.1
93.07026	93.9
95.04960	12.2
95.08585	42.5
96.08894	1.6
97.06520	11.9
97.10169	3.6
99.08080	2.9
105.04469	1.9
105.07007	73.6
107.04943	2.2
107.08578	51.5
109.06506	5.3
109.10164	13.1
111.08056	9.0
113.09581	2.1
115.05482	1.9
117.06995	23.8
119.08549	50.2
121.06428	2.3
121.10129	30.3
123.11677	6.1
124.99950	2.1
128.06285	2.4
129.06972	12.0
131.08543	28.7
133.10110	38.7
134.10365	1.9
135.07983	4.4
135.11671	20.8
142.07773	2.2
143.08524	9.9
145.10107	19.6
147.11659	37.2
149.09549	3.7
149.13234	36.0
150.13478	2.2
151.32422	1.7
157.10135	10.2
159.11678	27.6
161.13229	23.3
163.11174	2.4
163.14825	2.0
165.12633	2.3
171.11647	10.2
173.13202	11.9
175.14777	10.8
177.12770	6.4
184.07318	16.6
185.13248	6.7
187.14795	4.6
195.13725	9.9
199.14839	5.5
213.16461	2.9
217.15750	1.8
231.17537	2.0
231.21063	6.1
241.19495	30.6
259.20532	71.8
260.20883	4.1
261.22107	3.3
267.15817	16.5
268.16324	2.1
269.17422	79.7
270.17700	2.9
274.79538	1.8
315.23077	9.1
333.24185	55.0
334.24643	3.6
335.25839	7.3
372.12949	2.1
417.31390	2.5
435.32629	6.7
453.33377	5.3
471.34457	2.2
509.35892	3.2
527.37238	59.7
528.37610	5.2
545.38324	18.7
696.33673	2.6
723.43335	2.1
734.89349	1.9
742.13330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
55.01840	3.0
55.05504	13.5
57.03429	19.0
57.07056	3.9
58.49162	2.3
60.20174	2.4
61.02905	5.8
65.03912	3.4
67.05134	4.5
67.05490	74.9
69.03412	5.4
69.07056	18.9
71.04965	3.1
79.05479	46.0
81.03393	10.9
81.07047	77.2
83.04941	7.2
83.08598	11.1
85.02892	5.3
85.06499	3.7
91.05464	40.1
93.07030	56.6
95.04958	21.3
95.08585	52.0
97.02876	4.2
97.03539	2.7
97.06516	7.2
97.10113	4.9
99.08073	2.5
105.07010	30.7
107.04916	4.0
107.08581	20.9
109.06498	7.2
109.10140	19.0
111.08039	3.0
111.25395	2.5
117.06996	7.5
119.08561	21.5
120.18777	2.5
121.06573	2.7
121.10125	18.2
123.08060	3.2
123.11681	10.0
129.06978	7.9
131.08516	15.9
133.06476	3.9
133.10114	22.3
135.08047	3.8
135.11638	15.7
137.09598	5.0
142.07774	2.7
145.10080	8.1
147.11658	14.0
147.48502	2.4
149.09691	3.7
149.13260	6.4
153.12776	3.4
157.10094	7.4
159.11623	4.6
163.11107	5.1
173.13304	6.3
175.11142	6.7
187.14745	2.8
193.12253	6.1
211.13245	5.7
227.12688	4.4
243.20998	5.5
261.21945	12.4
267.15823	13.3
271.58649	2.7
283.15195	2.9
285.16907	78.9
312.43112	2.6
323.57489	2.6
335.21844	5.6
335.25754	100.0
336.26071	7.4
337.27213	5.0
351.19525	3.0
453.33405	3.8
503.36960	3.6
527.37195	8.5
545.38275	51.0
546.38293	5.4
563.39233	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	742.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66828	0.6
53.03932	1.4
55.05499	6.5
56.05035	4.0
57.07046	3.3
60.04513	2.0
67.05492	13.0
68.05006	1.3
68.65852	0.7
69.03406	1.0
69.07052	8.7
70.06569	2.4
71.08604	1.9
75.00149	0.7
77.37227	0.8
79.05475	9.4
80.04987	2.9
81.05760	1.0
81.07041	12.4
82.06568	6.6
83.08603	4.7
85.02874	2.4
91.05457	9.5
93.07023	9.5
94.06549	16.8
95.04926	1.5
95.07323	7.3
95.07845	0.9
95.08049	0.8
95.08595	8.0
95.56557	0.7
96.08112	5.4
97.10133	2.1
98.06033	1.4
105.07008	7.2
107.08575	4.5
108.08092	2.9
109.10132	3.9
119.08540	4.9
121.10144	5.9
122.09650	2.8
123.11675	1.2
133.10106	3.5
134.09583	0.9
135.11649	3.2
146.87074	0.8
147.11705	1.3
149.13228	1.4
151.07527	0.9
161.13280	1.7
163.14825	1.3
165.33829	0.7
233.22635	4.6
245.22624	4.0
250.25294	7.7
262.25259	100.0
263.25638	2.8
280.26358	7.6
282.27927	1.4
300.28958	5.1
306.27832	2.9
308.29404	7.2
337.27347	4.2
339.28833	1.5
532.50757	5.3
544.50806	32.5
545.50842	2.2
546.52551	6.3
562.51855	17.5
563.52203	1.4
613.44342	0.9
724.56750	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	743.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19896	1.2
56.96580	1.0
61.52459	1.5
61.87151	1.1
64.60066	1.1
69.03419	1.2
71.47710	1.3
71.67390	1.8
77.21853	1.1
79.27769	1.3
82.99877	2.0
85.02911	1.2
98.97556	3.0
101.00872	5.0
114.89405	1.3
119.01925	12.9
131.01910	4.6
136.98500	2.5
137.02969	1.8
143.01846	12.3
145.03401	7.4
145.67821	1.3
149.02872	1.4
155.01837	12.4
157.03465	3.8
158.99690	1.4
161.02948	16.5
163.42134	1.2
167.01901	6.3
170.99564	2.4
171.05051	3.0
173.02933	18.7
176.01126	2.4
179.01917	3.6
185.02933	33.4
187.04489	2.8
194.99866	1.5
197.00653	2.0
197.02957	13.1
198.03198	1.6
201.00607	1.6
203.03992	9.2
208.04501	1.4
215.04005	7.6
219.01904	1.7
221.00816	1.5
221.04994	1.8
223.91188	1.3
227.04051	5.1
239.01695	6.2
243.01857	1.4
245.05042	100.0
246.05243	2.3
256.49551	1.3
257.02655	4.4
257.05087	6.1
261.02881	1.9
263.06110	11.9
268.97223	1.9
275.06113	10.5
286.98318	6.1
293.07239	2.2
305.07120	9.9
335.08188	2.9
347.00446	2.4
347.08347	1.5
365.09216	32.7
381.07159	1.5
383.10269	2.3
400.07285	2.0
401.06934	26.9
402.07132	1.7
419.08389	1.4
425.11331	33.2
437.11624	2.2
455.12332	3.2
485.13364	3.0
569.07404	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	743.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	3.5
65.26747	1.6
69.03425	3.4
69.71919	6.8
69.72340	8.3
85.02886	6.1
97.02857	4.8
98.97585	8.4
109.02837	2.1
110.97607	2.1
112.99081	2.2
116.98624	4.5
119.01910	12.7
126.92567	1.8
127.03870	4.3
128.98604	4.1
131.01863	4.9
136.07008	1.8
136.98474	2.7
139.03807	2.2
143.00113	2.8
143.01869	13.4
145.03453	7.1
155.01898	9.0
157.03429	5.5
158.99626	2.9
161.02953	18.3
163.03920	6.4
167.01903	5.8
170.99559	2.2
171.05020	2.5
173.02931	20.5
185.02937	37.3
187.04539	4.3
189.00661	3.0
191.03897	2.8
197.02972	10.1
201.00755	3.0
203.03958	8.9
215.02110	2.5
215.03989	7.3
219.01781	6.8
227.03987	6.1
237.02789	6.1
239.01648	7.5
239.03844	2.5
243.01904	4.6
245.05045	100.0
257.02502	2.9
257.05057	4.7
261.02856	4.7
263.06018	11.8
275.06223	10.6
286.98145	2.5
290.98712	2.5
293.07294	3.6
303.54446	3.1
305.07141	10.8
335.08194	4.0
352.81805	1.8
362.09573	3.7
365.09189	32.5
383.10495	2.7
395.06927	2.4
400.06714	3.7
401.06812	33.6
401.13739	2.5
402.07199	2.2
417.54108	1.9
425.11401	37.9
455.12253	3.7
467.07236	2.0
485.13214	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01862	0.7
55.05501	14.2
57.03194	0.9
57.03428	9.3
57.07059	2.3
59.04967	0.7
59.68166	0.7
60.08152	1.5
61.02892	2.0
64.25113	0.7
65.03922	1.8
67.05495	63.7
68.05777	1.0
69.03410	0.9
69.07057	14.4
71.04984	6.3
73.02908	1.9
77.61049	0.7
79.05483	34.2
81.03423	1.2
81.07045	86.4
82.07370	1.5
83.04974	5.0
83.08605	10.3
85.02890	3.1
85.06530	8.5
86.09684	7.4
91.03926	1.1
91.04917	1.4
91.05463	22.0
93.07031	45.6
94.07346	1.1
95.04944	4.8
95.08592	31.5
95.09200	1.8
97.00028	0.8
97.02880	1.7
97.06521	6.7
97.10133	2.6
98.20653	1.7
98.98419	0.8
99.08092	2.0
105.07016	11.0
107.08576	23.4
109.06474	1.8
109.10131	11.9
111.08058	4.2
116.29256	0.8
117.07006	7.6
119.08559	8.8
121.06457	1.8
121.10124	16.3
123.10851	1.3
123.11680	10.7
124.99964	5.0
125.09601	0.9
129.07001	0.9
131.08560	9.7
133.10101	14.9
133.11024	1.4
135.08058	1.5
135.11684	10.5
137.13234	1.4
145.10083	2.6
147.11664	4.0
149.13235	18.1
151.11165	3.2
159.11667	10.9
161.13246	2.8
163.14783	1.3
169.12202	1.0
173.04477	0.8
173.13277	2.6
175.14720	0.9
177.04973	1.0
177.12721	5.2
178.72206	0.7
184.05682	1.4
184.07324	25.1
187.13290	6.6
187.14832	1.7
189.16647	0.8
195.13766	6.7
213.14804	2.3
241.14250	1.3
243.15884	24.0
243.21144	1.4
260.44550	0.9
261.19562	1.2
261.22092	8.8
269.17444	30.8
271.18994	0.9
279.23804	0.9
285.17007	1.2
287.18509	26.3
287.23633	2.0
288.18829	1.0
317.24561	1.7
321.80399	0.8
335.25760	57.4
336.26080	2.8
361.27115	1.5
437.34259	1.1
503.37238	100.0
504.37671	5.3
521.38458	1.1
529.38794	9.6
547.39893	40.3
548.40259	2.3
691.43445	1.8
738.21082	0.9
744.49677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01855	1.1
55.05265	1.2
55.05506	11.9
57.03432	7.1
59.04980	2.2
61.02913	3.0
65.03922	2.3
67.05496	93.2
69.03393	2.1
69.07058	13.6
69.55409	1.7
69.55816	5.5
71.04613	1.6
71.04983	21.5
79.05483	33.9
81.03395	2.3
81.07046	38.9
83.04962	3.0
83.08606	7.7
85.02878	2.6
85.06512	3.3
89.36191	0.8
91.05465	24.9
93.07031	40.0
95.04963	4.4
95.08012	1.9
95.08598	30.2
97.02874	2.1
97.06503	3.4
97.10129	2.5
99.08046	2.1
100.76189	0.8
105.07013	10.5
107.04993	1.0
107.07906	1.6
107.08582	20.8
109.06490	1.4
109.10142	59.7
111.08031	3.0
117.06999	4.4
119.08569	17.2
121.10128	15.2
123.11681	2.6
129.06984	0.9
131.08553	5.2
133.10091	6.4
135.11673	14.3
137.09599	8.1
143.08463	1.2
145.10068	5.4
147.11656	4.7
149.13219	3.2
155.10587	2.4
159.11670	3.0
161.13228	1.9
163.11185	3.1
163.14787	1.0
169.12245	1.1
173.11716	8.2
173.13237	2.4
175.14853	1.0
181.12230	1.8
187.13229	1.3
187.14798	1.7
194.12396	0.9
229.14348	1.3
236.97812	0.7
243.15829	1.4
243.21085	1.2
255.15910	3.9
261.22150	2.5
287.18503	16.6
317.24799	1.7
335.25745	27.3
336.26056	1.6
397.30981	1.0
471.34521	2.4
489.35706	100.0
490.36169	5.3
503.36899	3.5
515.37256	11.0
547.39880	75.1
548.39862	3.9
636.72070	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05499	1.8
57.03421	2.1
59.56277	0.6
59.90831	0.5
61.02917	6.2
64.87318	0.5
67.05494	6.1
67.19224	0.6
69.03408	3.2
69.07048	2.2
70.87072	0.9
70.87449	1.7
71.04963	0.8
72.76848	0.7
73.02901	3.4
79.05474	4.3
81.03397	1.9
81.07047	5.8
82.73507	0.5
83.04956	1.2
83.08627	0.7
85.02894	6.2
86.09656	1.4
87.20566	0.6
91.03942	3.3
91.05466	3.2
93.07033	5.5
95.04975	1.4
95.08611	5.4
97.02879	4.8
97.06531	0.8
99.04451	1.0
101.02361	1.4
105.07032	1.1
107.08585	3.4
109.10161	2.2
113.28670	0.5
117.06969	0.7
119.08569	1.4
121.10151	1.9
127.03847	1.1
131.08562	1.0
133.10110	1.3
135.11671	2.2
145.10124	2.3
159.00764	0.5
159.11687	0.7
163.11191	1.8
184.07347	3.6
185.25125	0.6
227.12820	1.7
237.23404	0.6
243.08366	1.5
249.10936	11.7
287.18390	0.7
305.13281	0.7
335.25803	1.6
336.26254	1.3
354.52094	0.6
467.18817	4.9
504.37970	0.8
519.29297	10.6
520.29498	0.6
530.39404	0.9
548.40009	1.5
644.26318	0.6
745.41174	100.0
746.41376	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	745.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	27.6
57.03421	14.0
64.62662	8.6
67.05492	81.3
69.03371	10.1
69.07047	27.9
71.67723	9.7
71.68105	9.7
79.05483	71.0
79.91431	8.9
81.03426	11.0
81.07045	87.2
83.04960	14.7
83.08595	18.5
86.09664	10.3
91.05472	97.4
93.07029	76.1
95.04958	16.8
95.08586	52.6
97.02959	10.0
97.06535	19.1
105.07015	100.0
107.04940	31.1
107.08578	32.1
109.06457	12.0
109.10129	20.4
117.06985	38.0
119.08566	65.4
121.10122	27.3
129.06927	19.3
131.08542	54.1
133.10107	38.2
135.11641	13.8
141.24162	8.5
143.08559	19.3
145.10092	23.5
147.11700	21.6
149.13245	10.4
155.08632	14.6
159.11632	23.4
161.13242	17.7
173.13278	22.0
174.31885	9.4
184.07304	26.8
187.14803	10.5
221.34752	7.7
233.15356	43.6
234.44275	9.1
241.19618	13.1
259.20514	24.7
307.18997	20.6
325.83331	9.6
333.24133	15.4
335.25781	18.5
336.26300	22.4
565.38892	49.3
583.39825	22.1
624.76514	11.0
745.41589	13.0
746.41522	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	747.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89141	1.4
66.50584	1.2
67.05505	1.9
69.41360	1.9
69.41763	12.4
90.70724	1.3
136.66806	1.2
137.92828	1.2
290.58957	1.3
342.35904	1.2
441.37210	1.5
540.30304	1.5
747.40662	100.0
748.41016	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	747.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01873	0.6
55.05500	1.9
57.03429	2.2
58.91604	0.3
61.02913	5.9
61.59185	0.3
63.53429	0.3
67.05487	4.6
69.03417	2.6
69.07065	1.0
70.06575	1.8
71.01338	0.8
71.04980	0.7
71.69463	0.6
73.02894	4.0
79.05468	3.1
79.71128	0.4
81.03395	3.7
81.07030	5.4
83.08595	0.9
85.02885	6.4
86.09696	1.1
91.03931	3.3
91.05476	3.4
93.07022	3.3
95.04971	1.4
95.08578	2.7
97.02866	4.4
97.10152	0.5
99.04444	0.7
101.02356	1.8
105.06995	2.0
107.04936	0.6
107.08585	2.3
109.02879	1.1
109.06518	0.5
109.10165	1.4
119.08563	1.9
121.10128	1.6
123.07994	0.4
123.11723	0.7
125.00021	0.5
127.03892	2.2
129.06956	0.6
131.08553	1.3
133.10115	1.0
133.21811	0.4
145.10098	0.4
147.11690	0.8
149.09607	0.5
157.10138	0.9
175.11179	0.7
184.07277	3.1
185.04254	0.6
187.14700	0.4
193.12270	1.0
211.13232	0.5
225.82436	0.4
243.08359	2.2
251.12677	0.5
335.25708	0.5
469.20297	8.2
519.29083	4.5
619.67053	0.5
670.42261	0.4
747.42719	100.0
748.43011	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	747.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01868	0.4
55.05502	1.0
57.03427	1.7
57.07048	0.3
61.02916	5.4
65.03946	0.3
67.05493	4.5
69.03415	2.8
69.07066	0.9
70.06586	1.4
71.01323	0.5
71.05008	0.3
72.47382	0.2
73.02905	3.7
79.05476	3.1
81.03396	2.3
81.07040	4.3
81.07487	0.4
83.08616	0.9
85.02892	5.3
86.09712	0.7
87.04476	0.5
91.03946	2.8
91.05461	2.5
93.07030	3.0
95.04967	0.9
95.08584	3.1
97.02875	4.7
97.06532	0.3
97.10175	0.4
98.20661	0.5
98.21343	1.2
99.04461	0.7
101.02365	1.7
103.03966	0.4
105.07024	1.2
107.08566	1.5
109.02879	0.6
109.10152	1.3
117.07008	0.4
119.08586	1.2
121.10146	1.4
123.11649	0.3
124.99999	0.4
127.03910	1.4
129.06989	0.4
131.08559	0.5
133.10155	0.7
135.11655	0.6
145.04945	0.4
145.10126	0.5
147.11595	0.3
149.13245	0.4
157.10167	0.7
159.11725	0.3
184.07272	2.3
185.04218	0.4
193.12212	0.5
203.05305	0.4
243.08490	1.2
250.89784	0.3
251.12596	0.8
256.21533	0.3
319.37158	0.3
335.25851	0.4
371.69263	0.3
469.20450	3.8
497.31137	0.3
519.29224	9.5
520.29706	0.3
597.18890	0.3
603.81415	0.3
747.42767	100.0
748.43225	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	747.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05503	2.1
57.03421	2.2
61.02917	5.4
66.62086	0.7
67.05496	4.0
69.03399	1.9
69.07076	1.8
69.53246	7.0
71.04981	0.9
73.02900	4.5
79.05479	5.6
81.03399	1.7
81.07048	7.4
83.08608	1.2
85.02902	4.6
86.09702	1.3
86.45933	0.6
89.65462	0.8
91.03949	3.0
91.05461	5.8
93.07031	5.8
95.04964	1.1
95.08593	3.0
97.02880	3.0
97.06540	1.2
99.04428	0.7
101.02365	2.1
105.07031	2.9
107.08588	3.6
109.10172	1.4
111.11698	0.7
115.88264	0.6
117.07066	1.8
119.08592	2.3
121.10097	1.3
127.03885	1.8
131.08549	1.7
133.10120	2.4
135.11694	1.4
145.10153	0.8
146.93839	0.9
147.11682	1.5
149.13248	2.2
184.07312	1.9
185.04263	1.1
235.12901	1.4
243.08434	2.7
301.08957	1.2
335.25699	0.8
336.26117	1.0
373.10962	1.3
439.23273	0.8
453.20926	9.6
486.86832	0.9
525.23071	1.6
535.28680	5.7
622.30579	0.8
649.05225	0.8
747.42786	100.0
748.42944	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	747.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05491	1.3
57.03420	1.2
57.96906	0.5
60.08139	0.8
61.02923	4.0
67.05494	4.0
68.75829	0.5
69.03398	1.5
69.07041	1.6
69.70985	4.2
71.01349	0.5
71.04939	0.5
71.07346	0.6
73.02885	2.7
73.81594	0.5
79.05479	4.8
81.03406	1.9
81.07036	6.2
83.08584	1.0
85.02895	3.8
86.09694	2.1
91.03946	1.5
91.05452	3.0
91.69418	0.5
93.07030	4.7
95.04948	0.8
95.08578	1.4
97.02863	4.5
99.04429	0.9
101.02370	1.2
105.07013	2.2
107.08562	3.4
109.02894	0.7
109.10118	0.6
117.07047	0.9
119.08569	2.0
121.10163	1.3
124.99994	1.9
127.03873	0.9
131.08571	1.5
133.10130	0.8
135.11671	1.0
145.10107	0.5
147.11711	1.2
149.13277	2.1
159.11745	1.0
177.12775	0.6
184.07315	8.6
185.04211	0.7
185.07761	1.3
187.30745	0.5
203.05356	0.6
235.13034	1.7
243.08459	2.1
247.02153	0.5
269.17426	0.7
301.09091	0.7
315.10251	0.6
373.10886	1.0
404.18802	0.5
453.20898	10.1
465.20712	0.6
483.22455	0.5
525.23254	1.3
535.28589	4.9
547.31537	0.6
625.15698	0.6
747.42761	100.0
748.42950	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	748.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.2
69.03432	1.9
69.07056	1.7
70.06573	2.0
71.67873	2.4
72.12869	1.4
79.05485	16.9
80.04993	2.3
81.03415	8.2
81.07027	4.4
82.06575	3.8
83.08584	1.5
84.04504	1.6
91.05476	8.5
93.07025	5.9
94.06548	3.2
95.04936	6.6
95.08578	1.8
96.04496	1.8
97.02872	3.2
97.06495	3.3
98.97613	1.9
105.07019	9.2
107.04927	2.3
107.07323	1.6
107.08582	10.0
108.04446	2.2
108.08071	3.2
109.02852	3.1
110.06010	3.9
115.05413	1.7
117.07010	5.4
119.08572	4.8
121.02847	3.0
121.06494	5.8
122.05995	2.3
124.07552	4.4
127.03923	1.8
128.06236	1.7
129.06969	3.4
129.87373	1.4
130.70003	1.5
131.08566	7.9
133.10115	5.9
134.05991	8.0
136.07570	2.7
137.05965	2.0
141.06955	3.4
143.08563	10.3
145.06447	3.7
145.10071	7.0
147.04358	2.5
149.05954	3.3
151.07579	2.3
152.07092	3.8
154.07755	1.9
155.08559	1.7
157.06357	1.7
157.10062	8.7
159.08031	10.5
159.11644	3.8
161.05948	15.3
161.09592	31.4
167.08549	13.9
169.10115	7.3
171.07991	2.8
171.11665	1.5
173.09550	1.9
181.10121	1.7
183.11656	2.5
183.55052	1.6
185.05928	3.4
185.09566	22.3
187.11116	4.2
188.10832	1.8
197.13257	2.0
203.10646	6.1
207.11632	3.8
209.09587	2.0
211.11166	2.3
213.09093	2.9
222.78043	1.6
225.12762	7.4
231.10014	8.6
235.11186	5.4
249.11172	19.5
251.10643	2.5
253.12317	8.5
255.13745	2.2
271.13260	10.4
281.11630	3.2
297.11148	2.5
299.12729	21.9
312.15979	3.8
314.17365	3.1
315.12183	5.3
317.13797	91.9
318.14038	5.2
322.14261	2.0
330.16882	2.5
333.13297	3.9
340.15384	5.5
345.13107	10.3
358.12665	2.0
358.16501	25.3
360.14343	8.1
361.12762	2.9
369.13174	2.1
376.17477	3.4
386.15933	56.5
387.16321	2.9
391.14886	2.0
403.14926	2.5
404.16986	100.0
405.17422	6.3
635.37628	1.8
643.25079	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	751.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01866	13.7
61.02935	1.9
64.20266	1.4
67.05483	3.1
68.99762	2.6
70.87812	3.4
70.88208	3.2
76.26135	1.5
80.16875	1.5
83.01323	6.6
89.60959	1.6
95.04955	2.9
105.03348	1.6
107.04933	1.7
109.02852	3.7
111.00764	1.8
111.04427	5.8
119.04916	2.7
123.04408	89.6
124.04813	2.0
127.03915	10.0
135.04404	5.7
137.02289	2.2
139.03882	83.6
143.04895	1.9
145.06482	2.8
146.01340	1.9
147.04443	6.6
149.02296	1.9
151.03923	5.4
153.01799	2.8
155.03413	3.3
155.04930	1.6
157.06386	1.7
160.50223	2.1
161.06006	4.6
162.24515	1.9
163.03893	21.1
165.06979	1.6
165.18349	1.5
169.06525	1.9
171.04469	2.7
173.05971	4.6
175.07446	1.5
177.05533	2.0
179.03369	20.5
181.06395	3.9
183.04381	3.5
185.05931	3.0
187.03853	7.7
189.05420	5.6
197.05975	5.0
199.03889	3.6
199.07553	2.0
201.05438	8.4
203.03383	4.5
209.06065	2.9
211.03879	6.3
213.05466	7.6
215.03395	3.3
221.06053	1.9
224.57135	1.8
225.05423	7.3
227.03362	6.8
227.06973	4.5
229.04944	6.1
234.99004	2.0
235.07408	2.4
237.05432	7.3
239.03404	7.7
239.06947	4.6
240.04211	3.9
241.04962	11.1
242.05760	4.3
243.06554	3.1
249.05540	2.1
251.03374	3.9
251.07182	3.5
253.04915	20.3
255.02876	1.8
255.06525	4.8
256.03677	3.0
257.04379	18.7
258.05157	5.9
259.05954	4.4
265.04977	10.3
267.02875	14.9
267.06479	6.2
268.03601	4.4
269.04382	38.5
270.01752	2.3
270.05161	7.0
271.03040	2.6
271.05914	17.2
273.03708	2.9
277.00027	6.9
277.04919	3.4
279.02826	5.4
279.06516	7.0
280.03784	2.7
281.04453	20.4
281.07645	2.6
282.05093	5.1
283.02414	10.3
283.05966	21.7
283.52893	1.6
284.03152	2.1
285.03918	22.1
287.05634	3.0
291.02728	2.0
291.06491	4.6
293.04410	9.5
295.02350	7.6
295.06003	14.8
296.03110	8.7
297.03958	24.5
297.07385	2.9
298.04770	5.6
299.05496	25.8
305.04312	3.5
307.02173	5.2
307.06012	9.3
308.03149	2.7
309.03949	19.5
309.07434	3.7
310.04617	2.4
311.02002	3.3
311.05368	21.5
313.03320	4.7
313.06921	2.3
315.05176	4.9
317.04239	1.7
319.05936	8.2
321.03809	4.6
323.01785	12.3
323.05508	14.3
324.02386	3.5
325.03412	25.6
325.06912	3.5
326.04080	2.9
327.04956	11.3
331.05878	2.5
333.03885	3.6
335.05356	9.8
337.03323	10.1
337.07169	4.1
339.05054	11.1
341.02817	2.9
341.06799	4.6
343.04474	9.5
347.05417	5.3
349.03403	2.0
351.04968	9.0
353.02859	3.4
353.06772	3.7
355.04477	12.9
357.07266	1.9
361.07077	3.1
363.04913	8.1
365.02551	2.8
365.06488	4.9
367.04486	8.6
369.06107	7.6
371.05148	2.3
373.06830	3.3
377.06903	1.8
379.04343	2.7
381.06125	6.8
383.03925	10.2
385.05872	4.0
387.06979	4.7
389.06497	3.1
393.05969	2.1
395.04031	3.2
397.05521	26.0
398.06326	2.6
401.06705	2.9
403.06693	8.2
407.07956	2.3
409.05194	7.7
411.05563	2.3
413.05551	2.7
415.06561	79.7
416.06674	3.0
417.05801	3.6
421.05573	2.2
425.08157	2.0
427.06760	7.7
429.06271	2.9
431.06580	6.2
433.07806	17.2
435.07346	1.6
437.05112	4.7
443.06207	3.7
447.07123	2.9
451.06320	5.0
455.06082	12.5
457.06482	6.0
461.07050	4.0
465.07828	2.7
467.05817	2.0
473.07101	76.1
474.07703	2.9
475.06680	3.5
485.06992	2.3
485.41489	1.8
491.06168	2.7
493.06995	5.1
497.07742	2.0
499.06567	2.2
503.05978	3.0
517.07532	4.7
521.06787	2.0
529.07410	3.8
535.08685	16.3
536.08954	2.5
537.09991	2.2
545.06915	6.4
547.08484	4.7
549.10284	6.6
553.09613	19.5
554.10376	2.9
563.08148	19.8
565.09796	11.5
567.11078	4.4
581.00385	3.3
581.09235	65.7
582.09369	3.1
583.10773	39.1
584.11127	2.4
587.08459	1.9
593.09290	3.3
595.08893	2.0
599.10229	100.0
600.10303	6.2
607.10364	7.1
697.11163	4.7
715.12933	10.3
733.13855	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.6
55.52397	2.1
59.45442	2.2
62.67342	2.3
69.78380	6.3
69.78804	12.9
74.64575	2.3
81.03419	2.7
82.00701	2.4
83.01317	5.9
86.38033	2.6
89.03899	4.9
96.28790	3.1
109.02824	3.5
111.04424	6.1
116.90749	2.4
117.03378	3.5
123.04414	77.8
125.46883	3.0
127.03925	6.2
135.04398	10.2
137.02226	2.7
139.03880	100.0
142.99084	2.5
145.02742	3.3
147.04370	4.0
150.96939	3.0
151.03908	4.3
155.03410	3.1
161.05927	3.5
163.03886	35.2
169.06474	2.4
173.05974	5.0
174.36850	2.9
179.03384	18.4
185.05974	2.7
187.03934	10.7
188.07045	3.1
197.06058	5.2
198.96799	3.6
201.05420	7.3
209.05914	3.4
210.96863	2.6
211.03836	3.0
213.05424	9.0
215.03360	4.8
222.74321	2.9
223.07550	3.3
225.05484	8.7
227.03354	4.4
227.06931	5.5
229.04922	6.6
237.05392	4.3
239.03398	6.7
240.04176	6.9
241.04944	11.7
242.05638	3.8
243.02942	3.1
243.06544	3.3
251.03427	5.9
251.07048	5.0
252.97993	3.5
253.04970	20.4
255.02771	2.6
255.06459	5.2
257.04410	16.3
258.05069	2.8
259.06094	5.3
263.07071	3.5
265.04944	8.9
267.02908	13.3
267.06265	3.5
268.03494	4.8
269.04401	40.1
270.02277	2.9
270.05170	7.1
271.05939	11.8
277.00027	12.0
279.06506	6.6
281.04382	22.3
282.05106	3.4
283.02359	9.5
283.05936	17.6
285.03900	19.8
287.05597	3.6
291.06430	4.9
293.04404	8.2
295.02530	5.1
295.06052	11.8
296.03278	10.3
297.03879	26.2
298.04672	3.8
299.05478	23.9
303.05109	3.0
307.02347	3.2
307.05878	6.2
309.04041	20.1
309.07126	4.8
311.02005	5.7
311.05554	17.1
313.03436	5.0
323.01807	12.7
323.05511	9.1
325.03381	22.8
325.06729	4.5
327.04944	13.2
333.03915	5.6
335.02039	3.3
335.05481	11.1
337.03436	6.3
337.07120	3.8
339.04999	11.1
341.06519	4.8
343.04605	11.7
347.05219	3.6
349.07141	3.3
351.04944	9.7
355.04474	11.5
363.04874	4.2
367.04120	5.9
369.06012	9.6
379.04187	3.2
381.06107	5.2
383.03967	7.0
397.05365	33.0
401.06796	3.8
403.06665	10.2
409.05560	6.9
415.06577	86.8
416.07104	3.5
417.06030	5.4
427.06500	4.9
429.06042	4.2
431.07108	4.1
433.07739	18.5
447.07251	3.9
451.06113	4.6
455.05951	10.9
457.05392	4.5
461.06949	7.2
465.07425	2.9
467.06439	3.3
469.03775	3.0
473.07089	55.4
475.06622	5.5
493.07019	4.2
505.06668	3.3
517.07904	4.9
535.08618	13.9
536.09131	4.7
549.10083	4.6
553.09424	21.1
563.07916	15.5
564.08575	3.9
565.09656	8.0
567.10114	3.4
581.09106	57.8
582.09875	3.2
583.10687	28.2
589.10114	5.4
593.08942	4.8
596.62103	2.7
599.10199	97.0
600.10583	7.7
607.10260	3.5
697.11554	2.9
715.12732	10.9
733.13214	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	751.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.01868	12.4
56.96545	8.0
61.02924	3.3
65.03912	3.9
68.99756	5.1
71.49099	3.9
75.40255	2.0
76.04104	2.0
81.03390	2.0
83.01328	2.8
85.02882	4.8
85.52010	2.0
89.03898	4.0
93.03363	2.3
95.04946	4.6
98.97576	6.9
109.02875	2.3
111.00737	2.0
111.04404	6.4
115.90024	1.9
116.98605	3.8
117.03368	4.4
119.01806	2.1
119.04897	3.2
123.04412	79.0
127.03914	14.6
128.98535	3.0
134.99675	3.4
135.04402	12.7
137.02289	2.4
139.03876	70.8
143.00143	2.4
145.02818	5.9
145.06473	3.1
146.99574	2.2
147.04375	7.3
148.04738	1.7
149.02248	2.4
151.03847	7.4
153.01813	2.0
155.03404	2.7
158.99583	2.7
161.01237	4.0
161.05927	2.7
163.03888	51.2
164.04233	6.9
170.99756	1.8
171.04390	3.2
173.05957	6.0
175.03966	2.4
179.03357	17.9
185.05994	2.8
187.03885	6.0
189.05496	3.2
195.07954	3.1
197.01018	3.2
197.06046	3.0
199.03778	2.0
201.00630	3.0
201.05418	11.3
203.03363	2.3
209.06017	2.9
211.03891	6.0
213.05408	7.6
219.01637	3.3
223.03957	2.5
225.05406	8.8
227.06964	3.3
229.04884	7.5
235.03996	2.0
235.07368	2.2
237.00568	3.9
237.02806	7.1
237.05458	6.8
239.03345	7.9
239.06987	2.6
239.10922	2.0
241.00175	3.1
241.04889	8.6
242.05591	2.4
243.06476	3.3
249.05537	2.8
251.03358	3.5
252.04303	2.8
253.04924	22.7
255.06419	5.6
256.03500	2.7
257.04468	18.9
258.04950	4.5
259.06061	4.6
261.02853	4.1
263.03445	3.3
263.06909	2.6
265.04980	12.4
267.02859	11.3
267.06186	4.3
268.03558	2.8
269.04391	31.8
270.05038	3.4
271.05930	10.0
273.03003	3.0
279.02820	5.4
279.06433	7.8
281.04437	20.7
281.07318	3.5
282.04800	2.5
283.02258	8.8
283.05927	15.0
284.03000	3.1
285.03906	17.7
287.05328	4.9
291.06436	3.8
293.04324	10.9
295.02286	8.3
295.05933	14.0
296.03076	4.0
297.03891	24.3
298.04614	5.2
299.05453	20.9
301.03741	2.3
305.04367	2.4
307.02521	2.8
307.05954	8.4
308.03027	3.3
309.04016	20.1
309.07449	4.1
310.04645	2.4
311.05478	19.1
315.04825	5.3
319.05930	8.8
321.04276	6.1
323.01743	6.1
323.05417	11.1
325.03442	25.5
325.06992	4.6
327.04868	9.2
333.03836	3.4
335.05527	14.4
337.03278	13.2
337.07010	5.4
339.04871	13.6
341.02637	2.9
341.06549	3.6
343.04465	13.5
347.05603	4.9
349.03189	3.4
349.07217	2.7
351.04993	7.9
353.06540	3.1
355.04410	10.9
363.04907	7.6
365.06604	6.1
367.04376	9.9
369.05844	5.9
373.07043	3.7
379.04294	4.5
381.06326	6.6
383.03986	13.0
385.05615	2.7
391.08487	2.4
393.05679	4.3
397.05441	17.9
399.05090	2.2
401.06311	2.2
403.07156	3.1
409.05533	8.6
411.05319	3.5
413.05200	2.9
415.06546	46.8
417.05939	6.3
427.06561	13.3
429.06882	2.5
430.06357	2.8
431.06906	4.0
433.07150	9.0
437.04889	7.6
443.06012	3.0
451.06396	4.2
453.35605	2.2
455.06061	18.3
457.06458	9.7
461.07532	3.0
467.06100	4.1
471.07614	2.7
473.07083	100.0
474.07266	5.4
475.07153	4.0
479.05380	2.7
483.06680	2.9
485.07321	3.5
491.05487	2.4
493.07324	3.1
517.07623	3.4
535.08704	12.8
549.10229	10.4
553.09698	15.4
563.08270	18.8
565.09460	8.8
567.10913	6.4
574.83704	2.5
581.09167	47.5
582.09583	2.8
583.10852	17.4
589.10297	5.2
599.10217	89.0
600.10284	6.3
607.10577	8.5
669.12122	2.6
697.11304	4.2
715.12317	8.6
733.13940	3.9
751.14221	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	751.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	22.5
57.03413	15.0
57.07065	55.3
58.63369	12.3
67.05481	56.0
69.07067	19.0
69.69553	37.6
69.69976	55.4
71.08607	36.3
79.05475	33.2
81.07031	50.2
91.05463	43.2
93.07043	25.0
95.08600	58.0
105.07011	27.6
105.34260	10.9
107.08594	25.2
109.10133	17.2
113.91341	12.2
119.08598	34.9
121.10098	19.5
129.07013	14.9
131.08551	23.0
133.10071	24.2
135.11671	17.2
145.10106	14.4
147.11633	41.4
157.10100	16.0
159.11615	20.3
162.75586	12.0
162.92783	13.1
171.11748	22.2
174.01653	11.7
187.14905	15.8
194.80547	12.8
241.19337	29.3
259.20514	52.9
264.91757	15.5
313.27390	100.0
333.24179	46.8
589.47638	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	752.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
54.15625	1.1
55.01863	11.0
55.05502	11.5
57.03424	3.2
57.07059	1.7
57.31963	1.1
61.02900	1.2
67.05138	1.7
67.05495	28.3
69.07056	18.5
71.04967	2.1
71.67799	1.7
79.05480	34.3
81.03403	6.2
81.06554	1.4
81.07041	34.5
83.04958	7.6
83.08580	6.4
91.05465	33.8
93.07028	35.4
95.01314	3.6
95.04950	11.9
95.08586	20.3
97.06505	24.7
97.10159	1.6
104.06161	1.1
105.04552	1.4
105.07010	48.7
106.58894	1.1
107.04939	9.3
107.08559	11.6
109.06509	3.5
109.10107	5.5
111.08086	1.8
113.09587	1.1
117.07001	8.8
119.08557	20.4
121.06506	1.9
121.10123	5.3
123.08047	4.3
129.06989	6.1
131.08551	10.6
133.10107	23.7
135.08015	2.2
135.11649	5.3
136.58490	1.1
137.09584	1.3
143.08546	5.4
145.06427	1.5
145.10110	10.3
147.11656	17.8
149.09596	5.1
149.13235	3.1
157.10187	1.8
159.11694	5.2
161.09549	1.2
161.13225	5.5
163.11185	3.0
165.09093	1.3
171.11673	9.0
173.13210	2.5
177.12679	1.4
179.14305	7.1
187.11162	2.0
189.12790	2.9
207.13757	7.4
216.17525	1.2
257.19113	2.5
259.20337	1.4
262.25180	1.1
263.16278	1.5
275.20007	45.8
276.20438	1.4
279.15948	5.0
281.17429	30.0
293.21048	3.0
297.36981	1.2
349.23618	16.6
377.23004	1.8
537.35822	1.2
555.36713	100.0
556.36884	5.2
573.37964	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	753.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01850	2.0
57.03421	1.2
58.37415	0.6
67.05487	0.5
68.99774	2.2
69.03422	2.9
69.71183	4.2
70.49007	0.5
71.85335	0.5
75.64117	0.6
77.03912	1.0
81.03375	1.4
83.01313	1.9
84.42219	0.6
85.02896	6.1
91.05484	0.8
95.04957	1.5
96.34990	0.6
97.02867	4.2
99.04440	0.6
105.03399	1.4
107.04961	0.7
109.02849	1.7
111.00782	2.0
115.03902	0.7
119.04146	0.6
119.04940	1.7
121.02824	0.7
123.04414	45.2
127.03880	1.8
135.04399	1.4
137.02328	14.5
139.03897	5.1
145.04933	1.2
147.04373	4.2
150.03119	0.9
153.01805	35.0
161.05930	0.9
163.03888	3.4
165.01825	1.0
165.05565	0.6
171.02904	0.6
171.04366	0.9
175.03851	0.6
183.04480	0.7
185.06091	0.7
187.03883	1.8
189.05434	1.6
191.03250	0.6
191.06970	0.9
195.02898	1.2
197.05875	0.9
199.03847	0.9
201.05476	1.1
203.03375	1.9
208.09648	1.4
209.83414	0.6
211.03830	1.9
213.01772	0.5
213.05450	3.1
215.03326	0.7
217.04929	1.6
221.05907	1.3
225.05392	1.6
227.03293	1.4
227.07053	0.9
229.04956	3.4
231.06398	1.3
237.05377	0.9
239.03418	2.8
239.10577	0.5
241.04915	4.2
245.04440	1.8
251.03270	0.7
253.04938	2.4
255.02861	1.6
255.06531	1.2
257.04413	7.1
258.05219	2.1
259.06021	2.0
265.04956	0.9
267.02930	2.3
267.06396	1.5
269.04410	6.0
270.05261	0.7
273.03967	2.6
277.05023	1.1
279.02948	1.0
279.06534	1.1
281.04446	4.4
283.06009	2.6
285.03885	6.3
287.05392	5.1
291.06668	1.1
293.04456	1.8
295.02603	1.0
295.06006	4.0
297.03934	7.3
298.04620	2.7
299.01953	1.1
299.05508	1.7
301.03391	1.6
302.04163	1.1
303.06467	1.1
305.04410	2.0
305.67535	0.6
307.06076	0.8
309.03958	1.7
309.07361	0.8
311.05402	3.2
313.03305	5.6
315.04678	1.0
319.05807	1.6
321.04111	1.1
323.05484	8.7
325.03351	1.9
327.05173	0.8
331.05914	0.8
331.11810	2.2
333.03946	1.2
335.05484	1.4
337.03372	3.5
337.07077	1.3
347.05478	2.3
349.06979	2.1
349.12811	1.9
351.04950	14.1
359.05801	1.1
359.11319	3.9
360.14359	1.4
361.14661	1.4
363.04712	0.9
365.06454	3.9
367.04358	0.9
375.04977	2.4
377.06589	3.2
377.12442	2.0
379.04419	9.6
393.05930	4.8
397.05603	1.0
403.04428	3.5
405.06073	2.4
407.07367	1.0
411.06686	0.7
415.13376	0.8
417.05847	1.3
421.05450	18.5
422.05847	0.8
423.06921	4.3
433.05698	1.5
435.06985	1.9
439.06543	100.0
440.06949	3.1
451.06561	35.8
452.06601	1.5
453.08102	4.8
463.06573	6.0
481.07422	1.5
529.07196	0.8
573.10236	31.9
574.10266	1.4
591.11218	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	754.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.9
53.50647	2.5
55.05505	27.2
57.02371	2.5
57.03428	9.9
57.07059	4.8
65.03948	3.6
67.05496	62.2
68.40386	3.0
69.07056	16.8
70.06603	3.2
71.04978	5.1
79.05478	97.9
81.03407	9.5
81.07044	68.7
81.07485	5.9
83.04978	9.5
83.08611	13.2
83.87567	3.4
85.06515	3.1
86.40371	2.5
91.05463	96.6
93.07031	100.0
95.04951	22.4
95.08597	42.8
97.06488	5.9
97.10159	4.9
98.21494	4.7
99.08057	5.2
105.07017	92.2
107.04951	9.6
107.08580	33.5
109.06494	4.3
109.10116	13.1
116.54813	3.6
117.07009	26.8
119.08561	62.6
121.06516	5.5
121.10120	24.0
123.08052	9.6
128.06223	4.7
129.06981	19.9
131.08554	23.4
133.10114	42.0
134.53746	2.5
135.08093	3.2
135.11652	19.6
142.07776	3.0
143.08521	19.3
145.10083	29.0
147.07991	3.8
147.11652	68.3
148.71912	2.8
149.13232	7.1
154.45583	2.5
157.10164	7.8
159.11638	19.4
161.09570	5.2
161.13223	41.7
163.03807	2.5
171.11655	43.2
173.13239	12.3
175.14780	13.7
177.12740	3.4
185.13229	7.7
189.12764	11.1
195.11629	3.1
199.14731	7.4
207.13779	21.0
213.16357	4.9
229.56857	4.2
231.20999	9.0
241.19518	25.8
257.18805	4.0
259.20541	70.0
261.22079	4.0
275.19992	4.4
279.15851	16.7
281.17435	84.6
282.17828	3.2
297.16971	3.3
303.10434	3.1
315.23166	7.9
333.24207	53.5
334.24356	4.8
428.99545	3.1
447.32623	6.8
465.33487	6.5
479.73840	3.3
483.20325	3.4
539.37262	70.2
540.37695	6.7
557.38098	22.3
722.90747	3.0
763.93213	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	755.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83837	0.1
53.03943	1.1
55.01862	0.4
55.02759	0.1
55.05487	0.4
57.03424	1.7
58.39762	0.2
61.02906	0.7
64.62598	0.2
65.03903	0.2
68.85094	0.2
68.99791	0.4
69.03420	3.8
71.01315	0.4
71.04981	7.3
73.02901	0.9
75.04453	0.4
81.02941	0.3
81.03403	4.6
83.04971	1.4
85.02892	16.7
86.03201	0.2
87.04449	0.3
95.04945	0.4
97.02238	0.3
97.02876	7.4
99.04437	8.9
103.03924	9.0
104.04266	0.2
109.02860	5.6
111.00789	0.8
111.04431	1.4
115.03916	0.4
117.03317	0.1
121.02866	0.5
123.04407	0.3
127.03896	18.1
128.04266	0.4
129.05463	2.0
135.04376	0.4
137.02333	2.8
145.04932	8.0
145.45816	0.1
146.05269	0.2
147.06480	0.6
149.02310	0.5
153.01802	2.7
155.04930	0.1
161.05930	0.3
163.03864	0.5
163.06023	2.1
165.01820	1.5
166.02518	0.2
169.04967	0.4
173.05963	0.3
177.01884	0.2
177.05420	0.4
183.02885	0.4
187.04399	0.2
187.06010	1.6
191.03448	0.2
199.05917	0.2
201.05417	1.4
205.07065	0.3
213.05446	0.2
219.06473	0.3
229.04962	3.6
229.07135	0.4
237.07556	0.2
247.05991	0.6
253.07048	0.3
255.08499	0.4
257.04407	2.0
258.04672	0.2
271.08115	1.8
274.04721	0.7
275.05447	0.2
285.03973	1.0
289.09247	0.7
302.04163	0.3
303.04941	100.0
304.05289	4.4
315.05045	1.0
316.05826	0.3
327.05029	0.8
341.06482	0.3
345.05994	5.4
345.10202	0.3
346.06726	0.2
369.05945	1.0
395.07483	0.5
411.07025	0.6
413.08588	1.3
417.13843	0.2
431.09692	0.8
438.34576	0.2
447.09189	0.2
449.10760	2.7
450.11310	0.2
591.13531	0.2
609.14716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41415	1.3
55.01865	3.8
55.05500	3.5
57.03420	1.6
57.59891	1.2
60.45606	1.5
67.05489	10.8
68.99781	2.5
69.03423	3.5
69.07053	3.4
70.06599	1.3
70.28990	6.9
71.04977	1.7
79.05478	12.2
81.03398	4.9
81.07045	14.2
83.01307	1.7
83.04962	2.7
83.08596	1.8
85.02889	3.4
85.23825	1.2
91.05466	14.8
93.07020	11.6
95.04945	6.1
95.08583	11.0
97.02885	1.6
98.20802	2.3
98.21336	1.9
105.07005	11.8
107.08573	6.5
109.02835	1.9
109.06529	2.8
109.10136	3.3
111.04421	5.0
115.05447	3.4
117.06986	5.1
119.04919	4.9
119.08548	11.3
121.06485	3.0
121.10118	3.3
123.04409	41.9
123.08040	2.5
123.11722	1.7
125.09526	1.6
127.03904	6.9
128.06168	1.6
131.04904	2.3
131.08548	5.0
133.06445	2.1
133.10100	4.5
135.04366	4.1
135.08002	2.5
135.11652	3.1
137.02304	3.2
139.03876	47.9
141.06979	2.3
143.08502	1.9
145.06464	1.3
145.10156	2.3
147.04379	12.3
149.05965	4.9
149.09610	3.3
149.13315	2.0
151.03902	4.8
153.05386	2.0
153.06902	2.7
155.03389	1.6
155.08508	2.2
157.06418	3.2
157.10226	1.7
159.04327	2.1
159.08058	2.3
159.11665	5.2
161.05965	5.5
161.13242	11.4
163.03893	9.7
165.05463	4.3
165.06804	1.7
169.06459	3.1
169.10062	2.0
171.04344	2.2
171.08025	2.4
173.05959	7.6
175.03867	2.9
177.05421	2.5
179.03372	16.8
181.06458	4.7
185.06009	3.7
187.03850	2.4
187.07538	3.5
189.05373	5.2
189.09064	1.6
191.07025	1.5
193.06493	1.8
197.05951	5.1
199.03918	2.2
199.07523	4.4
201.05403	9.3
203.03363	2.3
203.06966	2.4
205.06825	1.7
209.05917	4.0
211.07481	2.9
213.05482	6.0
215.07068	2.9
225.05408	4.1
227.03578	1.8
227.06973	15.1
229.04907	10.5
235.07625	1.4
237.05460	5.2
239.06995	3.3
241.04892	3.7
243.06487	4.7
245.04385	2.7
251.06969	3.1
253.04926	8.5
253.08609	1.9
255.06461	14.4
255.20995	1.7
257.04419	5.2
258.05115	2.5
259.05997	5.8
263.07111	2.4
263.10422	1.9
264.07779	1.6
265.04913	5.9
265.08475	1.5
266.05731	1.9
267.06580	6.6
269.04520	8.9
270.04984	2.3
271.06024	22.3
277.08655	2.4
277.12112	2.2
279.06564	3.1
281.04431	6.3
281.08130	2.1
282.05164	3.6
283.05951	32.9
284.06354	2.3
285.04010	2.8
287.11124	1.5
291.06476	3.4
291.09933	2.7
293.04425	2.2
293.07962	3.8
294.05191	1.7
295.06091	10.7
295.09216	2.4
295.13153	2.2
296.06808	2.1
297.07458	4.0
299.05463	28.9
305.08057	1.7
307.06067	2.3
309.03989	2.7
309.07410	6.2
309.10986	3.0
311.05524	30.1
311.08990	2.0
313.07022	2.6
319.05927	3.9
319.09470	2.3
321.07578	2.7
321.11197	2.9
322.08524	1.5
323.05392	3.4
323.09155	4.1
323.12704	3.1
325.07132	1.6
325.10632	2.7
327.12189	1.6
333.07565	1.8
333.11081	4.3
335.09033	2.6
335.12827	1.8
336.09232	1.5
337.07028	2.7
337.10638	8.9
338.11407	2.8
339.12262	18.4
349.10648	5.1
350.11261	2.0
351.08444	2.3
351.12183	19.8
352.82437	1.6
361.10565	3.4
362.11993	1.6
363.12344	2.9
365.10355	2.7
367.11591	4.1
379.11688	60.1
380.12079	2.4
381.13547	3.1
390.10913	2.0
391.11777	4.4
407.06995	1.6
417.16901	2.7
419.07477	5.2
419.18576	3.2
425.08530	2.9
431.18692	7.9
433.09146	1.8
435.17688	1.9
437.19675	2.7
445.09436	1.5
447.17474	1.8
449.08710	2.5
453.29605	1.7
459.17981	45.4
460.18271	3.6
461.19431	3.3
477.19254	20.8
487.13943	16.0
489.15698	6.9
491.13391	2.4
505.14856	100.0
506.15085	5.5
513.15869	1.7
515.13171	5.7
516.14160	2.5
517.14648	3.1
531.16656	2.6
567.19983	5.0
569.21564	4.5
583.22839	2.6
585.21130	81.3
586.21277	4.0
603.22260	24.7
604.22809	2.2
611.22382	5.4
639.18518	2.9
641.16833	1.8
667.17676	4.7
737.24908	2.4
755.39215	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	755.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01860	3.1
55.05501	4.9
57.03428	8.1
57.07045	1.4
57.24292	1.3
61.02910	5.8
62.22500	1.3
64.62627	1.2
67.05494	15.6
69.03421	17.1
69.07066	3.7
70.06572	3.9
71.01308	1.4
71.04977	21.6
71.70065	2.1
71.70427	1.4
73.02905	3.0
75.04462	4.1
77.28412	1.5
79.05477	8.4
80.77182	1.2
81.03411	9.1
81.07033	18.3
83.01344	1.4
83.04965	6.7
83.08599	3.1
85.02888	80.7
85.06519	7.8
87.00838	1.7
87.04446	2.7
91.03952	2.2
91.05450	12.4
93.07030	13.5
95.04958	7.5
95.08586	11.6
97.02879	18.1
97.06539	2.1
99.04434	5.7
99.08111	2.0
105.07011	17.1
107.04932	1.4
107.08574	17.1
109.02858	6.7
109.06495	5.4
109.10136	18.1
111.04442	2.4
111.08040	1.9
113.05972	3.7
115.07532	1.7
117.06990	5.4
119.04889	1.6
119.08552	10.7
121.06461	3.4
121.10124	19.9
123.04411	2.1
123.08030	1.5
123.11683	4.5
125.09619	1.7
127.03886	15.1
129.05466	13.2
129.06958	3.1
131.08549	15.8
131.12117	1.7
133.10104	21.0
135.08009	2.8
135.11658	6.0
136.07568	1.5
137.09567	2.7
141.06961	2.0
142.07729	4.8
143.08562	11.1
143.10661	2.2
145.04942	9.8
145.10092	16.3
147.06508	5.2
147.11649	30.0
149.05975	2.0
149.09612	2.6
149.13229	4.3
155.08521	4.2
157.10098	49.7
158.10764	1.7
159.11678	24.0
161.13239	5.5
163.11130	2.5
165.09100	2.4
167.07097	1.6
169.10123	3.2
171.11670	10.6
173.13202	7.0
175.11281	2.5
175.14767	1.7
177.12680	1.8
183.11710	7.1
185.13216	4.7
197.13213	8.4
199.14786	2.8
209.13246	1.9
211.14812	7.3
213.16414	2.4
224.15500	3.0
225.16328	4.6
238.16989	2.1
251.18120	1.8
253.19476	100.0
254.19955	4.6
255.20978	5.4
263.85812	1.4
271.20505	50.8
283.24039	2.0
285.11185	2.8
318.20731	1.5
327.23087	16.3
345.24097	11.1
395.29385	4.1
411.28867	2.7
413.30441	2.2
413.94806	1.4
429.29999	7.3
433.25781	35.8
434.26987	1.8
460.00058	1.7
507.32285	1.9
517.31537	11.2
557.34753	2.6
561.34656	2.3
572.82996	1.5
575.26996	2.7
575.35736	53.1
576.36194	3.5
593.36707	25.8
594.37244	2.0
677.91870	1.4
723.40771	1.6
755.37250	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	755.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01860	3.1
55.05501	4.9
57.03428	8.1
57.07045	1.4
57.24292	1.3
61.02910	5.8
62.22500	1.3
64.62627	1.2
67.05494	15.6
69.03421	17.1
69.07066	3.7
70.06572	3.9
71.01308	1.4
71.04977	21.6
71.70065	2.1
71.70427	1.4
73.02905	3.0
75.04462	4.1
77.28412	1.5
79.05477	8.4
80.77182	1.2
81.03411	9.1
81.07033	18.3
83.01344	1.4
83.04965	6.7
83.08599	3.1
85.02888	80.7
85.06519	7.8
87.00838	1.7
87.04446	2.7
91.03952	2.2
91.05450	12.4
93.07030	13.5
95.04958	7.5
95.08586	11.6
97.02879	18.1
97.06539	2.1
99.04434	5.7
99.08111	2.0
105.07011	17.1
107.04932	1.4
107.08574	17.1
109.02858	6.7
109.06495	5.4
109.10136	18.1
111.04442	2.4
111.08040	1.9
113.05972	3.7
115.07532	1.7
117.06990	5.4
119.04889	1.6
119.08552	10.7
121.06461	3.4
121.10124	19.9
123.04411	2.1
123.08030	1.5
123.11683	4.5
125.09619	1.7
127.03886	15.1
129.05466	13.2
129.06958	3.1
131.08549	15.8
131.12117	1.7
133.10104	21.0
135.08009	2.8
135.11658	6.0
136.07568	1.5
137.09567	2.7
141.06961	2.0
142.07729	4.8
143.08562	11.1
143.10661	2.2
145.04942	9.8
145.10092	16.3
147.06508	5.2
147.11649	30.0
149.05975	2.0
149.09612	2.6
149.13229	4.3
155.08521	4.2
157.10098	49.7
158.10764	1.7
159.11678	24.0
161.13239	5.5
163.11130	2.5
165.09100	2.4
167.07097	1.6
169.10123	3.2
171.11670	10.6
173.13202	7.0
175.11281	2.5
175.14767	1.7
177.12680	1.8
183.11710	7.1
185.13216	4.7
197.13213	8.4
199.14786	2.8
209.13246	1.9
211.14812	7.3
213.16414	2.4
224.15500	3.0
225.16328	4.6
238.16989	2.1
251.18120	1.8
253.19476	100.0
254.19955	4.6
255.20978	5.4
263.85812	1.4
271.20505	50.8
283.24039	2.0
285.11185	2.8
318.20731	1.5
327.23087	16.3
345.24097	11.1
395.29385	4.1
411.28867	2.7
413.30441	2.2
413.94806	1.4
429.29999	7.3
433.25781	35.8
434.26987	1.8
460.00058	1.7
507.32285	1.9
517.31537	11.2
557.34753	2.6
561.34656	2.3
572.82996	1.5
575.26996	2.7
575.35736	53.1
576.36194	3.5
593.36707	25.8
594.37244	2.0
677.91870	1.4
723.40771	1.6
755.37250	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	755.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.7
55.01857	9.3
55.05506	29.5
57.03432	18.1
57.07071	6.7
61.02916	5.0
63.33694	2.9
65.03925	6.6
67.05499	91.6
69.03415	18.3
69.07058	34.7
71.01325	3.8
71.04970	6.6
71.70340	4.6
73.02900	6.5
77.48934	2.6
79.05484	87.4
81.03423	15.2
81.07047	100.0
83.04971	11.5
83.08606	13.6
85.02895	15.7
91.05475	84.1
93.07034	99.7
95.04954	23.2
95.08595	64.9
97.02875	14.4
97.06528	10.6
97.10164	6.1
99.04455	4.7
103.03957	4.0
105.07019	70.3
107.04938	10.1
107.08582	48.6
109.02867	10.7
109.06491	12.0
109.10142	23.1
111.04420	4.8
111.08105	4.3
115.05453	5.7
117.06989	35.1
119.08565	55.1
121.06494	7.9
121.10128	39.9
123.04460	3.2
123.08022	6.6
123.11671	6.9
127.03915	5.8
128.06183	8.3
129.05453	4.9
129.06976	24.2
130.07758	4.4
131.08556	47.1
132.08986	3.1
133.06461	5.9
133.10101	38.8
135.08054	10.4
135.11697	20.9
141.06966	12.4
142.07739	3.8
143.08533	26.4
145.04924	2.8
145.06482	8.2
145.10117	43.0
147.08008	9.9
147.11670	20.7
149.09593	7.1
149.13211	9.8
153.06982	6.5
154.07768	2.8
155.08578	13.6
156.09297	3.9
157.06398	5.1
157.10098	24.7
159.08029	7.0
159.11670	27.0
161.09579	8.6
161.13269	14.8
163.11215	3.6
165.08900	3.2
167.08519	6.9
169.10104	16.5
171.07979	6.2
171.11649	17.6
173.09601	7.5
173.13245	23.9
173.75340	3.0
175.11198	6.3
175.14806	6.6
177.12737	6.7
178.07762	3.3
179.08435	5.4
181.10138	13.5
183.11656	13.2
185.09621	7.7
185.13292	15.0
187.11119	7.2
187.14726	6.8
193.10254	3.1
195.11690	6.7
197.09622	3.8
197.13228	11.3
199.11174	6.9
199.14752	5.5
201.12619	4.4
201.16351	4.2
209.09604	3.8
209.13246	10.3
211.14764	4.5
213.12767	7.1
215.10640	3.7
215.14328	3.7
225.12651	4.2
227.14293	3.5
229.15935	3.6
237.12646	3.7
239.14342	3.4
241.19522	7.0
253.19577	3.7
257.19043	6.1
259.20560	10.9
261.22107	6.2
271.02509	3.1
271.20480	5.5
275.20029	3.2
283.20547	5.2
289.21564	4.9
295.20605	5.3
301.21582	9.2
311.20282	2.9
313.21536	10.4
315.23126	5.3
325.21649	6.3
333.24130	5.5
335.25772	52.9
337.21423	4.0
339.23114	7.7
343.22491	3.5
349.21637	10.6
357.24164	5.0
363.25031	3.4
367.22696	18.3
369.24207	4.0
375.25211	4.3
385.23608	14.4
387.24875	3.4
403.24741	8.5
417.26617	3.3
431.27682	3.1
441.26120	10.6
459.27353	8.7
477.28189	6.9
623.46747	4.2
635.46368	7.7
665.47571	3.2
677.47449	3.8
689.47083	5.3
701.47662	22.7
710.06885	3.1
719.48511	13.3
737.49829	13.3
755.50916	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.0
55.05501	12.8
57.03427	7.4
67.05497	16.8
69.03405	3.1
69.07050	4.7
70.95642	1.7
71.04962	3.6
79.05472	19.5
81.03403	40.7
81.07044	15.9
83.04955	4.5
83.08604	13.8
85.02888	1.9
85.06538	1.5
86.37254	0.8
87.60355	0.7
88.77546	0.8
91.05462	15.0
93.07023	14.6
95.04948	18.0
95.08603	9.7
96.59840	0.8
97.02859	1.7
97.06503	3.1
97.10143	13.1
103.05418	0.9
105.07009	11.1
107.04927	12.1
107.08580	11.4
109.06499	8.3
109.10136	6.4
111.08038	3.1
113.05999	1.4
115.05421	2.3
117.07033	4.1
119.08562	10.2
119.77493	0.8
121.06473	8.5
121.10122	7.9
123.04411	2.3
123.08030	3.6
123.11582	1.0
125.09608	13.3
129.06978	5.7
131.04926	2.2
131.08539	8.9
133.06453	3.5
133.10097	5.3
135.08025	3.9
135.11638	1.9
135.50146	0.9
137.06003	1.1
137.09595	1.8
142.07750	1.9
143.08496	2.2
145.06474	5.9
145.10085	3.4
147.04326	1.9
147.08026	4.4
147.11658	6.4
149.09601	4.8
153.09038	2.7
153.12650	1.1
155.08516	1.2
157.10112	8.1
159.08023	2.3
159.11580	1.6
161.09607	1.9
161.13229	1.3
161.58907	0.8
163.11151	2.7
165.12682	1.4
167.08493	1.3
167.10675	1.4
169.10098	1.3
171.08067	1.3
171.11632	1.2
173.09584	2.2
173.13083	1.0
175.11154	6.3
177.12712	1.1
185.09608	1.3
185.13214	1.6
187.11099	1.4
187.14755	1.3
189.11179	4.9
189.12708	1.6
193.10536	1.4
193.12219	15.9
195.11758	1.0
197.13217	1.6
199.11223	2.0
205.12268	1.5
211.11188	0.9
211.13184	1.7
213.12700	2.4
215.14290	1.7
217.12190	1.5
219.13756	3.4
223.10974	1.2
223.13171	1.6
225.12607	1.5
227.12653	2.2
231.13695	1.1
233.15335	3.7
235.13185	1.6
237.12604	1.6
239.14177	0.8
241.14290	1.1
243.13699	0.9
245.15244	1.2
249.14920	1.5
255.13866	1.9
259.13300	1.8
267.15860	38.2
268.16229	1.7
273.14642	6.2
287.16205	0.9
321.22144	1.5
339.23160	2.6
349.21515	6.4
357.24304	1.7
367.22574	14.4
385.23660	25.0
403.24710	10.1
413.26819	0.9
423.25214	1.2
441.26303	9.6
459.27344	100.0
460.27698	7.8
477.28394	87.8
478.28790	6.4
491.29977	11.8
501.28171	1.3
509.30933	5.8
541.33545	1.5
567.29022	1.4
654.22552	0.8
735.53033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
55.01859	6.3
55.05505	20.0
57.03430	8.9
57.05072	0.9
57.07047	1.2
59.29818	0.9
61.02885	1.2
65.03913	1.8
66.33907	0.9
67.05142	2.3
67.05494	45.1
69.03430	7.1
69.06689	1.5
69.07059	29.0
69.87080	5.9
70.06572	2.5
71.04968	2.9
79.05481	32.2
81.03397	5.8
81.07042	50.6
83.04953	4.4
83.08615	12.7
85.02876	2.6
85.06514	2.7
89.77113	1.1
91.05460	22.5
93.07029	38.3
95.04962	7.4
95.08589	15.9
97.02874	7.4
97.06517	9.4
97.10152	10.8
99.08076	2.0
105.07019	12.7
107.04943	6.5
107.08580	28.3
109.06497	3.3
109.10148	7.7
111.04392	1.0
111.08048	4.9
115.05455	1.1
115.73112	0.9
117.07001	10.2
119.04871	1.2
119.08548	11.9
121.06470	3.4
121.10129	12.6
123.04414	1.0
123.08020	3.9
123.11689	2.1
125.09620	7.3
128.06161	1.5
129.06973	4.2
131.08549	10.9
133.06430	2.8
133.10117	9.3
134.07262	1.5
135.08034	4.0
135.11659	7.5
137.09541	1.4
142.07756	1.1
143.08524	3.4
145.10110	5.0
147.07996	6.6
147.11638	4.3
149.09616	2.1
149.13251	19.7
151.11188	1.3
157.10072	3.6
159.11671	10.4
161.09641	2.1
163.11145	3.0
165.08960	1.1
171.11627	1.1
175.11140	2.2
177.12785	5.1
179.10635	1.0
185.13129	1.0
189.11218	3.2
193.12131	1.4
195.12024	1.2
195.13750	6.8
223.13248	14.3
227.12723	5.5
233.15170	1.1
245.19078	1.4
249.14835	3.9
253.14175	1.2
261.15155	0.9
267.15796	2.4
269.17447	63.9
270.17743	1.8
273.18491	14.2
275.19943	1.5
283.15286	1.9
291.19498	96.7
292.19760	2.9
344.84326	1.0
347.22104	2.6
365.18829	2.0
365.23206	31.7
366.23535	1.3
439.27032	2.0
461.28726	2.6
479.30112	2.2
487.33173	1.2
491.70328	1.1
541.35168	4.2
559.36182	100.0
560.36389	6.4
660.68280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
55.01863	6.7
55.05243	1.3
55.05500	24.3
57.03424	6.9
57.07049	2.0
61.02902	3.0
65.03926	3.4
67.05492	55.0
69.03419	7.0
69.07050	31.4
70.06570	1.4
71.01304	1.0
71.04967	4.8
71.68912	2.0
73.02888	1.5
79.05476	41.9
81.03410	7.3
81.07039	65.9
83.04962	7.0
83.08601	14.9
85.02878	3.6
85.06503	3.7
86.09686	4.2
91.03937	1.7
91.05022	0.8
91.05460	30.8
93.07024	45.4
95.04955	9.7
95.08585	20.5
97.02882	9.0
97.06509	10.0
97.10155	9.9
99.04404	1.3
99.08073	1.6
105.07007	21.0
107.04935	7.0
107.08569	28.9
109.06483	3.9
109.10132	13.1
111.08058	3.9
117.07000	10.9
119.04934	1.5
119.08553	11.9
121.06488	6.1
121.10126	12.4
123.08050	2.2
123.11684	5.1
124.99986	2.1
125.09590	6.0
129.06981	1.8
131.08533	12.7
131.72505	1.0
133.06470	4.1
133.09163	1.9
133.10098	20.8
134.07251	1.4
135.06438	1.0
135.08025	4.3
135.11659	8.2
143.08536	3.1
145.06433	1.0
145.10123	6.6
147.08034	4.8
147.11633	3.8
149.09602	3.6
149.13226	12.8
151.11174	7.6
153.09084	1.4
157.10124	3.5
157.89793	1.0
159.11661	10.2
161.09586	4.1
161.13194	1.4
163.11166	2.4
165.08995	1.2
171.11676	1.8
175.11157	1.8
177.09081	1.8
177.12704	2.8
184.07281	11.2
189.11191	2.5
193.12225	1.3
195.13789	8.8
205.12077	1.6
223.13229	14.1
227.12637	5.1
245.18965	2.1
249.14842	2.5
251.12547	1.2
253.14310	11.6
255.17380	1.2
267.15805	2.2
269.17426	58.5
273.18463	17.3
275.20313	1.3
283.15356	2.7
291.19479	84.5
292.19818	2.0
347.22128	4.7
365.23154	38.0
461.28708	1.5
465.28452	4.3
467.31244	1.2
479.29883	2.4
541.35004	6.3
559.36169	100.0
560.36359	6.1
760.20685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.4
55.01863	17.7
55.05237	1.7
55.05497	27.0
57.03422	14.6
57.07067	1.4
61.02908	2.8
64.29445	1.2
65.03928	2.1
67.05488	51.3
69.03420	3.3
69.07053	33.0
70.74503	3.2
70.74855	2.3
71.04972	5.3
75.40191	1.2
79.05476	44.9
81.03397	54.9
81.07038	67.3
83.04964	15.7
83.08599	22.4
85.02885	22.9
85.06526	3.2
91.05459	70.2
92.05762	1.3
93.07024	43.0
95.01313	7.8
95.04943	25.7
95.08583	33.6
97.02850	3.7
97.06504	31.3
97.10133	4.0
98.20850	1.6
99.08041	2.6
103.05420	2.2
105.07005	90.4
106.07294	1.4
107.04929	21.0
107.08575	19.5
109.06475	5.9
109.10117	9.1
111.04411	2.4
111.08068	11.3
113.05983	2.6
115.05397	2.5
117.06995	14.4
119.07737	2.9
119.08555	49.9
121.06474	4.3
121.10118	14.9
123.04420	3.3
123.08025	5.8
123.11694	3.5
125.09622	2.2
129.06985	11.9
131.08534	28.5
133.06493	2.6
133.10095	50.9
135.08011	4.4
135.11656	7.1
137.09560	3.1
139.07455	1.5
141.06894	1.8
142.07739	4.5
143.08524	4.7
144.09326	1.3
145.06444	2.0
145.10083	16.9
147.07991	4.0
147.11665	26.1
149.09567	11.1
149.13214	4.9
151.11154	2.5
155.08447	2.0
157.10097	15.6
159.11652	10.8
161.09613	2.1
161.13219	5.1
163.11134	6.1
165.09088	3.0
165.12718	3.4
169.10086	3.1
171.11661	3.0
173.13191	4.0
175.11156	12.0
177.12653	3.2
179.14294	14.7
183.11595	2.2
184.07321	2.4
187.11191	2.3
193.12193	26.8
197.13290	2.3
205.12169	1.2
211.11273	1.5
211.13240	29.1
220.67659	1.3
229.19409	2.0
231.66486	1.3
239.17950	1.6
247.20566	3.0
257.19046	6.8
267.15842	37.0
275.20010	80.9
276.20441	2.5
279.15829	3.2
285.16904	78.7
286.17197	2.5
289.18002	1.4
293.21039	4.1
328.53772	1.3
328.57977	1.3
349.23648	42.9
350.24066	2.8
352.70474	1.2
461.28384	1.5
541.35132	70.2
542.35382	2.4
559.36176	100.0
560.36212	4.9
577.36713	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	757.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
54.37039	0.1
55.01861	0.3
55.05494	0.7
57.03427	2.2
59.04966	0.2
61.02909	0.5
62.63349	0.1
65.03928	0.2
67.05490	0.2
68.99773	0.4
69.03416	1.8
71.04981	13.1
71.27072	0.3
73.02905	1.2
75.04459	0.8
81.03396	0.6
81.07047	0.3
83.04962	2.9
85.02892	17.8
87.04447	0.5
91.03909	0.2
95.04951	0.6
97.02879	1.1
97.06496	0.2
99.04439	0.8
103.76691	0.2
109.02850	0.7
111.00788	0.8
111.04429	2.2
113.05966	0.3
117.05483	0.8
121.02847	0.6
123.04409	0.4
127.03865	1.1
129.05458	5.7
137.02312	2.6
145.04953	0.7
147.06487	1.6
149.02304	0.3
153.01813	2.7
153.05440	0.9
157.05008	0.2
163.03891	0.5
163.05969	1.0
165.01784	1.5
171.06502	0.4
173.05948	0.3
174.33653	0.2
183.02853	0.4
186.03343	0.2
201.05438	1.0
201.07240	0.3
205.05122	0.2
213.05544	0.2
213.07507	0.2
219.06468	0.2
229.04929	2.7
239.09073	0.9
247.06024	0.6
249.96635	0.2
257.04324	1.9
257.10046	0.4
274.04840	0.8
275.11276	0.4
285.03903	0.9
287.05518	0.4
299.05557	0.2
303.04944	100.0
304.05267	2.8
315.04797	0.8
316.05862	0.2
327.04834	0.2
345.06015	1.1
369.05917	0.4
395.07681	0.2
413.08505	0.4
431.09549	0.5
447.09344	0.3
449.10754	2.6
465.10229	1.7
524.34894	0.2
534.97815	0.2
584.33942	0.2
747.82391	0.2
781.95319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2169
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03925	0.2
55.01865	0.4
55.05500	0.6
57.03426	2.2
59.04996	0.2
61.02914	0.6
62.35508	0.1
67.05492	0.1
68.99778	0.4
69.03413	1.9
69.36622	1.6
69.36952	0.2
71.01314	0.3
71.04977	12.2
73.02895	1.3
75.04462	0.6
81.03394	0.5
82.75870	0.1
83.04965	3.0
85.02886	18.0
87.04452	0.5
93.03384	0.2
95.04935	0.8
97.02872	1.2
97.06467	0.2
98.20641	0.2
99.04445	0.8
105.07046	0.1
109.02850	0.6
109.64880	0.1
111.00787	0.5
111.04421	2.5
113.05930	0.1
117.05482	0.5
121.02854	0.6
121.28022	0.1
123.04414	0.3
127.03881	1.2
129.05450	4.6
133.06424	0.2
135.04417	0.2
137.02309	1.9
137.05983	0.1
144.83124	0.1
145.04936	0.8
147.06487	1.8
149.02318	0.4
149.05952	0.2
153.01776	2.4
153.02888	0.2
153.05391	0.6
154.48679	0.1
157.04909	0.2
159.06483	0.1
161.05936	0.3
163.03860	0.4
163.06021	0.5
165.01820	1.2
166.02641	0.2
171.06493	0.4
173.05974	0.3
183.02893	0.7
183.06522	0.2
187.03935	0.3
195.02954	0.2
201.05450	1.2
201.07541	0.4
205.04855	0.2
213.05396	0.2
213.07323	0.2
215.03409	0.2
219.06680	0.2
229.04939	2.6
239.09134	1.0
247.05931	0.5
257.04376	2.0
257.10092	0.4
274.04727	0.4
275.11240	0.4
279.00690	0.1
285.03909	0.7
293.12402	0.3
303.04929	100.0
304.05273	3.0
315.04825	0.6
345.05942	1.3
367.08463	0.2
369.05960	0.3
413.08627	0.4
431.09415	0.3
447.08777	0.2
449.10587	1.2
465.10254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2167
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.17568	0.3
53.43592	0.3
55.05494	0.7
57.03423	2.5
61.02898	0.5
67.95996	0.3
68.99789	0.4
69.03416	1.9
70.06580	0.3
70.10811	0.3
70.11147	1.6
71.01350	0.6
71.04980	13.7
73.02899	1.7
75.04455	0.6
81.03385	0.8
81.92261	0.2
83.04970	3.9
85.02888	19.6
86.06005	0.3
87.04432	0.7
90.42805	0.3
95.04942	0.6
97.02869	1.0
98.20795	0.4
99.04432	0.9
109.02858	0.7
111.00770	0.8
111.04420	2.7
113.05949	0.4
117.05466	1.0
117.79962	0.3
121.02834	0.8
123.04453	0.5
127.03887	1.0
129.05455	5.7
137.02310	2.4
145.04924	0.7
147.06519	2.2
153.01793	2.2
153.05402	1.0
157.04950	0.3
161.06023	0.4
163.03889	0.7
163.05997	0.5
165.01776	1.5
166.02592	0.3
171.06485	0.4
183.02901	0.6
201.05386	1.4
229.04907	3.4
239.09111	1.0
257.04349	2.2
257.10220	0.5
274.04581	0.7
275.11139	0.5
284.24084	0.3
285.03955	1.0
287.05487	0.6
294.59479	0.3
303.04938	100.0
304.05276	3.3
315.04962	0.3
327.05020	0.4
345.05850	1.5
369.06219	0.4
413.08533	0.7
449.10641	1.8
465.10303	1.6
637.01971	0.3
638.33325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
54.34829	1.0
55.01854	4.8
55.05499	19.0
57.03422	11.5
57.07055	2.6
61.02890	3.4
65.03918	3.4
67.05491	75.4
69.03407	4.0
69.07057	25.8
69.40479	8.9
69.40903	3.6
71.05003	6.0
73.02914	1.6
75.91296	1.2
79.05021	2.7
79.05478	46.9
81.03395	8.9
81.07038	100.0
82.07393	1.1
82.37718	1.0
83.04964	10.0
83.08598	19.7
85.02872	4.4
85.06519	4.1
87.13017	1.1
91.05459	41.4
93.07024	63.0
95.04951	10.9
95.08589	29.8
95.60880	1.2
97.02858	2.9
97.06511	15.3
97.10145	4.2
99.08075	4.0
105.07009	25.0
107.04948	6.4
107.08572	42.1
109.02889	1.5
109.06484	11.2
109.10126	8.9
111.04412	1.1
111.08055	7.7
117.06986	15.3
119.08553	18.1
121.06455	5.2
121.10118	16.5
121.70202	1.2
123.08079	2.2
123.11687	7.1
127.03911	2.2
129.06998	2.4
131.08542	15.9
132.08061	1.8
133.06494	1.6
133.08974	1.9
133.10097	22.4
135.08038	4.6
135.11676	15.7
137.09552	2.8
141.06964	1.5
143.08508	2.2
145.06444	1.1
145.10136	8.9
145.73985	1.1
147.11652	11.2
149.09599	6.8
149.11996	0.9
149.13220	21.0
151.11156	3.1
157.10088	3.6
159.11674	14.1
161.13213	3.3
163.11153	4.8
163.14771	1.6
165.12653	2.4
169.10094	2.0
171.11676	2.2
173.04367	1.8
173.13197	3.1
175.11147	1.5
177.12694	6.2
183.11652	1.5
184.07309	3.3
195.13803	15.9
213.14703	2.7
227.12737	1.7
229.19536	1.1
239.17934	2.6
247.20505	1.2
251.16312	3.2
255.15875	5.0
257.18976	5.2
259.20459	2.0
262.18005	8.9
267.15909	2.2
269.17416	91.7
270.17917	2.1
274.18463	1.4
275.20020	24.9
285.16867	1.8
293.21069	2.7
333.24014	1.7
335.25446	1.7
349.23679	20.1
351.25027	1.3
367.24835	8.5
423.27362	1.6
445.29132	2.4
449.28897	20.4
451.32449	1.4
463.30472	91.0
464.30936	5.7
497.46021	1.3
525.36090	2.7
543.36670	44.8
544.36847	3.4
561.37762	25.2
562.37677	1.3
571.30664	1.5
607.34644	2.1
758.48187	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	758.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	5.9
55.01868	8.7
55.05240	1.8
55.05502	29.9
57.03431	13.8
57.07057	2.7
61.02910	2.6
63.69630	1.3
65.03920	3.3
67.05495	83.9
69.03419	7.2
69.06694	1.9
69.07055	36.4
70.86280	2.4
70.86621	1.5
71.04976	6.8
73.02910	2.1
73.06566	1.3
74.09705	2.6
79.05479	58.3
81.03410	11.8
81.07043	100.0
82.07384	1.6
83.04962	10.3
83.08604	19.0
85.02895	6.3
85.06521	6.3
86.09716	2.0
91.05464	42.2
93.07027	66.6
94.07343	1.3
95.04951	10.3
95.08009	1.8
95.08590	34.2
97.02875	5.8
97.06511	19.5
97.10159	11.0
99.04440	2.0
99.08068	2.8
102.79642	1.1
105.07013	32.4
107.04937	5.2
107.08572	47.3
109.02873	3.0
109.06509	6.1
109.10126	8.4
111.08054	6.2
113.05931	1.3
115.05383	2.0
117.06995	16.6
119.08555	17.9
121.06490	4.6
121.10138	18.2
123.08025	3.9
123.11685	4.9
125.09618	10.1
127.03873	3.4
128.06149	1.5
129.06963	5.9
131.08540	19.5
132.08034	6.0
133.06487	1.5
133.08984	2.8
133.10104	24.9
135.08032	4.1
135.11671	15.8
137.52237	1.3
143.08527	2.0
145.10054	10.9
147.11633	9.3
148.04759	1.2
149.09579	11.8
149.13252	22.0
151.11122	3.1
155.08534	1.5
157.10104	3.9
159.11670	17.2
161.13225	3.2
163.11186	7.1
165.12717	1.6
169.09996	1.7
171.11620	2.9
173.04474	1.7
173.13251	5.0
177.12740	5.6
179.14278	3.5
183.11671	3.3
184.07268	2.9
185.13185	1.6
189.11160	3.7
195.13786	13.5
212.80792	1.2
213.14783	2.9
215.10957	1.2
219.13774	1.2
220.95374	1.2
227.12738	18.4
229.19569	1.7
235.17245	1.1
239.17924	3.4
251.16425	1.9
253.17976	3.5
255.15875	4.8
257.18927	6.8
262.17932	15.1
267.15866	3.4
269.17429	82.0
270.17737	2.7
271.19138	2.0
275.20007	24.6
276.20288	1.6
285.16949	1.4
291.19458	6.0
293.21072	2.6
321.24112	1.5
331.22650	1.9
349.23621	25.9
365.23248	5.9
367.24783	2.7
433.30478	1.5
439.26721	4.4
445.29242	2.4
447.30679	2.3
449.28903	19.5
463.30502	79.4
464.30673	4.0
525.35596	2.7
543.36737	48.0
544.36853	2.2
561.37878	11.5
607.35547	3.2
758.48273	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	758.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.6
55.01865	10.4
55.05502	51.2
57.03426	21.4
57.07064	2.5
61.02907	5.7
65.03922	5.4
67.05491	100.0
69.03410	8.4
69.07052	27.2
71.01347	4.3
71.04977	7.4
73.02907	3.8
79.05479	89.8
81.03402	46.2
81.07041	92.4
83.04967	21.2
83.08608	21.7
85.02897	10.2
85.06504	3.3
86.09705	3.3
91.03951	2.3
91.05461	56.9
93.07028	89.1
94.07353	1.4
95.04951	22.3
95.08586	67.0
97.02869	18.5
97.06508	11.3
97.10152	17.3
98.21537	2.7
99.04442	3.9
99.08108	2.2
103.05477	2.0
105.04517	1.6
105.07006	36.6
107.04934	22.5
107.08572	46.6
109.02885	2.1
109.06521	7.4
109.10130	29.6
111.04417	7.2
111.08050	5.6
115.05447	2.4
117.06985	20.3
119.08555	30.0
119.09399	1.8
121.06465	6.3
121.10119	34.2
123.08058	3.8
123.11665	6.5
125.05942	1.7
125.09594	10.2
127.03867	1.6
128.06197	2.2
129.05431	2.5
129.06990	9.3
130.07755	1.7
131.04922	1.2
131.08545	25.2
133.06458	2.8
133.10103	16.5
135.08035	4.3
135.11665	35.0
135.51120	1.6
137.09608	3.1
137.13307	1.5
139.07535	1.5
139.11139	1.7
141.06920	2.0
142.07787	1.3
143.08549	6.6
145.06424	1.9
145.10083	28.6
146.04208	1.4
147.08054	2.9
147.11667	16.2
149.09572	2.8
149.13235	8.0
151.11201	2.8
153.12715	15.4
155.08516	4.6
157.10074	6.3
159.11671	10.8
161.09618	2.1
161.13286	7.8
163.11150	34.9
163.14845	3.3
165.12758	2.5
171.11700	5.3
173.09618	4.3
173.11758	3.2
173.13271	6.9
175.11183	3.0
175.14848	3.7
177.12701	1.5
177.16446	1.4
181.10136	2.5
181.12201	10.4
183.11661	2.6
184.07332	7.1
185.13345	3.3
187.14833	2.8
189.12738	1.7
191.10609	8.8
193.12239	5.8
197.13304	1.8
199.13234	8.6
199.14836	1.6
209.11696	5.8
217.14494	1.8
221.31934	1.4
227.12723	27.7
229.14301	3.9
241.19490	3.3
259.20532	7.5
261.19656	1.7
261.22018	7.0
265.14352	5.1
267.15836	15.8
268.16101	1.4
280.28448	1.4
283.15317	16.6
327.23196	2.2
329.06442	1.3
333.24112	3.3
335.25748	41.7
336.26080	2.4
351.25363	2.9
394.40714	1.5
451.32056	1.7
477.35553	2.2
489.35748	2.3
503.37134	2.6
543.36682	5.1
561.41235	2.0
629.56781	1.5
644.01672	1.6
648.67914	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.6
53.87945	1.2
55.01866	7.3
55.05500	21.7
57.03427	16.6
57.07059	5.2
61.02905	3.8
65.03925	5.0
67.05494	75.7
68.36622	1.2
69.03419	5.5
69.07055	36.5
70.04714	7.6
71.04978	5.2
73.02874	1.9
79.05479	58.7
80.69132	1.1
81.03413	12.0
81.07042	94.3
82.07375	1.8
83.04967	13.5
83.08604	21.0
85.02882	5.5
85.06528	5.2
88.82218	1.3
91.03933	1.2
91.05465	46.2
92.05827	1.6
93.07030	75.6
95.04955	10.7
95.08589	30.9
97.02870	3.7
97.06516	18.8
97.10143	8.3
98.21040	3.7
99.04427	2.1
99.08066	4.1
105.07015	29.5
107.04935	5.4
107.08572	45.8
109.06499	6.6
109.10158	9.6
111.04406	1.3
111.08047	8.1
113.09650	1.7
115.05410	1.6
117.07008	17.5
119.08559	19.4
121.06462	3.1
121.10129	24.6
123.08057	2.2
123.11723	4.4
125.09603	5.9
127.03860	3.1
129.07010	4.6
131.08546	20.5
132.08110	1.8
133.06401	1.7
133.10106	19.4
133.11031	2.3
135.08035	5.3
135.11661	13.5
137.09572	2.3
141.07004	1.3
143.08583	2.3
145.10101	11.9
147.08047	1.5
147.11661	11.1
149.09622	11.2
149.13237	31.9
151.11171	3.0
155.08582	1.5
157.10127	4.6
159.11685	21.1
161.13251	4.1
163.11160	5.7
165.12691	1.3
167.08421	1.2
167.14246	1.6
169.10190	1.5
171.11682	3.8
173.04436	2.9
173.13219	4.5
175.11183	2.7
177.12682	6.6
179.14320	1.8
182.30035	1.3
183.11588	2.0
184.07382	2.5
187.14966	1.6
189.11180	2.9
193.12251	2.6
195.13783	13.8
197.13286	1.9
199.14763	1.9
211.13303	3.9
213.14819	3.3
219.13712	1.3
227.12724	13.1
231.96880	1.7
235.16986	1.4
239.18011	3.6
251.16505	2.1
255.15895	4.2
257.18991	9.0
259.20526	3.8
262.18036	5.6
262.85016	1.6
267.15921	2.9
269.17432	100.0
275.20016	33.8
285.16943	4.8
293.21106	2.9
331.22693	2.7
333.24170	4.0
349.23691	25.6
423.27124	1.6
433.30505	1.3
439.26804	4.5
445.29315	2.0
447.30890	2.5
449.28864	23.5
463.30466	77.7
464.30768	3.1
503.33789	2.1
525.35553	3.2
543.36719	49.9
544.36981	2.2
561.37732	9.0
607.34515	3.1
758.47363	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	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.2
54.32965	3.5
55.01859	7.7
55.05509	29.0
57.03431	23.0
61.02914	7.6
63.43213	3.6
65.03920	5.9
67.05502	88.6
69.03394	8.8
69.07066	30.7
70.06580	7.3
70.81157	11.0
70.81499	4.3
71.04972	6.2
71.95779	4.2
79.05485	85.0
81.03410	45.0
81.07050	100.0
83.04955	16.0
83.08608	26.3
85.02885	19.1
85.06558	6.5
86.09682	8.7
91.05459	94.7
93.07037	73.5
95.04971	28.8
95.08590	50.3
97.02874	8.2
97.06524	12.8
97.10147	13.4
97.42968	4.3
103.05461	5.8
105.07014	82.6
107.04956	13.7
107.08577	46.6
109.06521	6.5
109.10123	21.7
111.08050	10.7
112.28923	4.5
117.06993	26.5
119.08566	54.5
121.06474	16.5
121.10123	36.8
124.99958	5.8
125.09631	6.0
129.06987	19.4
131.08545	38.1
133.10106	62.1
135.08083	4.3
135.11678	18.8
137.09612	4.7
143.08551	12.1
145.10121	33.5
147.06908	5.1
147.08003	4.2
147.11655	43.3
149.09627	12.5
149.13231	21.4
157.10117	24.7
159.11687	22.9
161.13223	25.4
163.11151	7.6
169.10213	6.9
171.11684	13.3
173.13251	12.8
175.11206	16.3
175.14809	8.8
182.15392	25.3
184.07355	25.1
185.13254	9.6
187.14804	7.2
189.11101	4.9
193.12183	27.8
195.13818	6.9
199.14827	5.3
200.16396	5.0
209.86710	4.3
211.13228	33.8
227.12701	9.0
231.20990	6.8
241.19516	16.9
257.18912	5.1
259.20520	63.2
260.20929	5.1
267.15906	15.3
269.17471	32.1
274.20062	5.1
275.20050	17.4
285.16885	38.7
314.66348	4.5
315.23178	10.1
333.24200	52.5
335.25867	5.0
349.23651	15.5
433.31195	8.5
449.29230	4.8
463.30408	15.1
525.35876	26.6
534.41254	22.1
543.36792	91.8
561.37817	7.0
596.35529	14.1
696.46521	15.2
740.50592	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	758.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.8
55.01848	4.4
55.05270	3.4
55.05502	36.0
56.74096	3.0
57.03430	21.6
57.07047	3.4
60.64580	2.8
61.02921	3.3
64.40936	3.3
65.03926	6.8
67.05140	4.9
67.05495	91.0
69.03415	5.7
69.07065	25.0
70.03367	4.9
70.03766	18.0
71.04965	7.1
73.02882	4.9
79.05481	87.2
81.03411	70.6
81.07044	90.4
83.04965	16.9
83.08616	35.4
85.02891	27.3
85.06501	4.3
89.52461	2.8
91.05468	100.0
93.07036	78.1
95.04951	38.3
95.08584	37.4
97.02882	7.1
97.06519	9.1
97.10139	10.8
99.08099	5.0
105.07012	86.1
107.04923	12.9
107.08580	56.7
109.06497	10.3
109.10131	14.8
111.08050	15.6
113.05870	3.3
115.05418	3.1
117.07009	20.7
119.08563	83.7
121.06402	4.9
121.10129	37.0
123.11673	5.4
125.09659	5.1
128.06148	4.4
129.06984	28.4
131.08569	42.0
133.06506	4.9
133.10110	67.2
135.11653	13.3
137.09544	4.0
142.07758	5.7
143.08502	15.0
145.10126	27.4
147.08090	6.0
147.11670	55.6
149.09581	11.5
149.13232	14.0
155.08553	6.3
157.10114	29.9
157.80173	3.9
159.11687	28.3
161.13237	23.4
165.12755	4.4
167.08513	3.8
171.11649	19.0
173.13240	11.6
175.11195	16.0
175.14819	13.7
184.07309	8.8
185.13231	11.1
187.14775	4.1
193.12231	50.7
194.65099	3.2
199.14793	5.7
211.13255	72.7
211.15132	4.2
213.14575	3.7
213.16460	4.2
227.12738	11.1
231.20973	5.4
241.13690	3.7
241.19489	24.5
257.18951	4.9
259.20538	60.3
267.15860	23.8
269.17435	14.1
275.19995	7.5
277.21701	6.3
283.15552	3.9
285.16928	68.6
315.22800	4.0
333.24222	57.3
335.25909	3.7
349.23627	5.8
367.35916	3.7
433.30978	7.8
451.31961	5.2
469.32980	6.0
515.37384	6.2
525.35834	27.6
543.36719	73.7
544.36786	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01855	1.0
55.05501	17.1
57.03425	6.0
57.07066	2.8
59.04984	1.4
61.02920	3.9
65.03922	3.3
67.05494	71.3
69.03413	2.1
69.07057	12.1
69.42862	0.6
71.04980	19.3
71.60897	1.4
73.02897	0.8
79.05480	39.3
81.03398	0.9
81.07043	100.0
82.07368	0.7
83.04961	2.7
83.08603	7.9
85.02892	2.8
85.06525	7.4
89.31152	0.5
91.03947	1.3
91.05466	30.4
93.07029	42.7
94.07329	0.8
95.04942	5.1
95.08589	27.3
97.02879	1.9
97.06518	4.5
97.10152	2.2
99.08080	1.4
105.07013	16.2
106.07443	0.6
107.08577	22.0
109.06521	2.5
109.10133	12.8
111.08076	1.8
117.06988	4.4
119.08556	8.5
121.10126	14.4
123.11681	13.0
125.09637	0.9
131.08553	7.7
133.10106	17.3
135.11665	8.9
137.09610	0.7
140.15437	0.6
143.08566	0.7
145.10095	4.4
147.11668	3.9
149.13216	5.8
151.11168	6.5
157.10103	0.5
159.11696	4.7
161.13222	2.0
163.14761	1.2
169.12186	0.9
172.08601	0.5
173.13237	2.2
175.14830	1.3
177.12752	2.0
179.14284	0.8
183.13820	2.0
184.37643	0.6
187.13297	3.6
187.14766	0.9
195.13762	1.6
215.68445	0.6
223.72626	0.5
227.16483	1.2
243.21121	0.7
257.17529	0.7
259.20676	0.9
261.22131	3.1
269.17453	4.5
301.20047	12.0
311.46942	0.5
317.24771	0.9
335.25748	26.8
336.26242	1.5
411.32751	0.7
437.33920	0.8
485.36209	1.9
503.37231	78.5
504.37561	6.3
517.38947	4.1
529.38818	10.2
530.39368	1.2
561.41418	72.2
562.41852	5.5
610.56531	0.6
673.43909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	6.2
69.44868	2.9
69.45290	1.5
84.96020	3.7
88.89247	0.5
98.97559	48.2
110.97544	16.4
112.99073	1.0
116.98596	21.8
124.99088	0.7
127.00618	0.6
128.98582	21.9
131.00111	1.7
134.99625	5.2
140.00117	0.9
140.98558	4.1
143.00127	8.8
144.98044	0.5
146.04503	0.5
146.99622	12.8
152.00095	0.5
152.98555	2.9
153.00555	0.5
154.04884	0.4
155.00095	0.8
158.99619	21.7
161.01196	7.6
162.84039	0.5
162.99181	0.6
165.00647	1.6
170.99620	32.0
173.01128	1.1
174.99023	0.6
177.00668	15.7
179.02223	0.9
182.97977	0.7
182.99606	14.9
189.00671	34.1
191.02240	0.5
194.99666	1.0
195.01674	1.2
201.00670	48.9
203.02229	0.7
207.01717	3.0
212.02188	1.2
213.00671	3.4
219.01723	40.5
220.02101	0.8
224.02225	1.3
225.00601	0.7
231.01741	5.5
236.80455	0.4
237.00334	0.6
237.02773	21.5
242.03351	1.6
243.01729	22.0
244.02014	0.5
247.01045	0.5
249.02771	0.7
254.99335	1.7
255.03860	1.5
261.02768	84.5
262.03094	1.3
273.00311	2.3
273.02792	5.6
279.03824	44.9
284.04428	0.5
291.03833	13.5
292.04092	0.4
297.04858	1.3
302.05402	2.7
303.03711	2.1
309.04871	1.2
321.04861	33.3
322.05341	0.8
333.04825	4.2
351.01599	0.7
351.05945	12.1
363.05847	1.6
381.06970	18.2
382.07407	0.6
399.07990	15.4
417.04630	86.3
418.05069	2.3
422.09601	0.8
435.05743	11.2
441.09091	100.0
442.09390	3.6
453.08896	2.4
458.07257	1.6
471.09982	2.8
495.10150	0.6
501.11191	5.1
525.11475	0.9
543.12378	3.1
561.13385	0.9
723.18213	1.7
752.13202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29584	5.1
54.91139	5.2
56.96552	15.5
69.03398	6.1
69.74169	41.2
83.86177	5.2
85.02909	14.8
97.02864	11.4
98.97562	30.8
103.79530	6.3
110.97562	6.4
112.99142	21.0
116.98606	27.6
123.04440	7.3
128.98619	12.2
130.93333	26.4
131.00145	49.4
134.99638	10.0
135.04411	7.5
136.06212	10.3
139.03868	15.4
143.00238	6.9
146.99638	15.0
148.94333	17.5
149.01178	37.4
151.03882	5.5
154.93211	7.5
158.99608	14.1
161.01236	14.8
162.95842	6.9
163.03874	12.6
170.29971	5.6
170.99602	7.5
172.94305	11.1
173.01184	15.9
174.17224	5.5
174.97647	6.3
177.00705	18.0
182.92822	7.8
186.95911	6.4
189.00719	17.9
190.95387	12.6
191.02206	11.9
200.93817	15.8
201.00722	10.0
204.96854	6.1
211.04915	8.4
214.95340	15.4
216.98601	7.1
218.94897	28.2
219.01804	28.9
219.62981	5.7
230.94881	16.8
230.98459	10.7
232.96391	16.2
236.95822	6.5
237.02754	52.3
245.04784	6.4
248.95973	21.1
251.02327	7.0
258.94308	9.8
260.95700	7.2
261.02869	13.3
268.92609	5.8
269.04788	6.4
275.01794	6.4
275.04572	8.0
276.95355	26.7
279.03845	9.6
281.05521	6.0
286.93973	6.6
287.05646	5.3
294.96582	9.3
300.95422	13.7
321.05063	6.7
321.10220	20.2
328.95071	13.6
337.08075	42.9
338.08725	5.5
339.77280	5.9
346.95935	6.7
355.09137	38.1
358.95963	12.9
360.97589	7.9
375.02155	8.1
386.95477	22.8
388.96857	7.5
393.03723	10.5
398.95490	12.7
417.04590	11.9
437.58060	5.8
444.52618	5.9
461.10675	13.4
505.06381	6.5
514.96484	100.0
516.98059	25.8
521.04242	34.6
542.97131	7.8
574.98425	13.4
581.85175	5.7
607.04547	6.9
648.67688	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96309	0.7
56.96549	7.5
57.10258	0.6
62.70495	0.6
71.21790	1.9
71.95212	0.7
74.89148	0.6
84.96020	4.4
90.65402	0.7
98.97559	56.3
102.97000	0.8
110.97545	19.4
112.99098	1.6
116.98599	27.3
124.99080	1.7
128.98581	27.5
131.00096	2.3
134.99655	5.3
140.00171	0.9
140.98557	5.1
143.00124	11.6
146.99619	14.2
149.01207	1.3
152.98561	3.4
158.99622	25.9
161.01195	10.1
165.00687	1.6
170.99625	40.9
173.01146	1.6
177.00673	21.2
179.02240	1.0
182.97989	0.7
182.99620	19.9
189.00673	38.9
191.02228	0.7
194.99612	0.8
195.01657	1.2
200.02328	0.8
201.00667	56.2
202.00972	0.9
203.02275	1.2
206.99908	0.7
207.01707	3.6
212.02322	1.8
212.59123	0.6
213.00682	5.0
219.01724	50.2
220.02106	1.1
224.02165	1.6
225.00748	1.1
231.01730	6.6
237.02780	23.4
242.03247	1.1
242.99239	1.5
243.01732	25.4
246.78275	0.7
249.02879	0.7
254.99298	2.4
255.04082	1.0
260.04404	0.8
261.02774	99.9
262.03207	1.1
273.00308	2.3
273.02905	5.7
279.03830	50.5
280.04178	1.2
281.07129	1.0
291.03836	13.1
297.04825	2.0
302.05383	3.0
303.03787	1.6
309.04575	1.2
315.03842	0.7
321.04855	36.0
322.05301	1.0
333.04886	5.5
351.05945	12.6
363.05942	1.6
381.06946	17.8
399.08020	16.4
400.08371	0.9
417.04639	93.7
418.05017	3.6
422.10336	0.9
435.05670	10.7
441.09097	100.0
442.09396	5.0
452.41742	0.8
453.09167	2.9
458.06961	1.4
471.10120	3.2
501.11191	5.2
543.12256	3.3
561.12720	0.9
723.18396	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	759.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01846	0.8
55.05500	3.1
56.69480	0.4
57.03423	3.1
57.07052	0.4
61.02916	4.9
64.32372	0.3
64.46445	0.4
65.03944	0.7
67.05498	10.2
68.05827	0.9
69.03409	3.4
69.07069	3.1
71.01325	0.5
71.03755	0.3
71.04982	0.9
71.69484	0.8
73.02905	3.3
77.37068	0.4
79.05482	11.7
81.03401	3.9
81.07043	9.8
82.07376	0.5
83.04987	2.0
83.08612	2.0
85.02890	4.8
85.06570	0.6
86.09698	1.1
91.03960	3.0
91.05463	9.7
92.05836	0.4
93.07030	11.6
94.07357	1.0
95.04957	3.1
95.08589	5.9
96.08898	0.4
97.02892	4.5
97.06519	1.3
97.10171	1.2
99.04430	1.0
99.59966	0.4
101.02363	2.2
105.07016	5.9
107.04948	1.4
107.08575	5.1
108.08920	0.6
109.02888	0.5
109.06532	1.0
109.10163	1.9
111.04393	0.6
111.08083	0.7
115.03946	0.5
117.06983	2.0
119.08583	5.4
121.06506	0.5
121.10093	3.3
123.08099	0.6
123.11713	0.6
127.03905	1.3
129.06958	2.0
131.08554	2.3
133.06453	0.5
133.10109	3.9
135.11681	3.0
137.09572	0.4
143.08569	0.9
145.10066	2.3
147.11668	3.7
149.09598	0.6
149.13239	1.3
157.10104	0.7
159.11700	1.5
161.13283	1.4
163.11192	1.1
164.11502	0.5
167.31534	0.3
171.11687	1.5
173.13112	0.5
181.12204	0.4
184.07283	2.2
185.04213	1.3
190.36852	0.4
191.10689	1.0
193.12160	0.4
198.09392	0.4
199.14896	0.4
207.13852	0.5
210.12053	0.5
227.12802	0.4
243.08464	3.7
247.12979	1.9
253.14352	0.5
259.20694	0.4
260.21118	0.4
261.22128	0.6
265.14429	0.8
267.15921	1.3
269.17487	0.8
270.17941	0.5
283.15457	1.0
284.15820	0.7
301.09015	1.3
301.16452	1.0
302.16800	0.5
303.15686	0.5
315.10541	0.9
335.25861	3.8
336.26190	1.6
345.16656	0.6
373.10992	0.6
377.19098	0.4
379.19492	0.4
383.92526	0.4
397.18448	0.5
435.19315	0.4
437.21933	0.5
464.31012	0.5
465.20938	10.8
481.20071	0.6
495.22073	0.7
526.36218	0.5
527.37537	1.2
535.28741	6.4
537.23273	1.5
544.37244	1.3
545.38385	0.9
562.38116	1.9
759.42780	100.0
760.42993	8.3
760.56458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05504	26.0
55.90990	4.5
57.03417	15.1
67.05492	100.0
68.05853	4.2
69.03397	6.4
69.07066	25.8
69.44101	21.6
69.44518	20.6
71.04975	32.7
79.05482	58.9
81.03387	10.0
81.07040	72.3
83.04984	7.8
83.08598	13.1
85.06551	7.0
86.09690	6.0
91.03928	4.2
91.05458	65.4
93.07027	77.0
95.04935	14.0
95.08590	40.5
97.06486	12.2
97.10178	6.2
98.21461	9.4
105.07018	49.1
107.04967	4.3
107.08581	31.9
109.06495	8.0
109.10139	41.7
112.87038	4.8
113.09596	4.3
117.07012	22.1
119.08556	47.8
121.10116	24.4
123.08048	4.9
123.11697	5.4
124.99960	5.6
125.09549	7.7
128.17810	4.3
129.06886	6.0
131.08586	24.7
133.10114	37.4
135.11693	25.3
137.09590	12.2
143.08537	10.1
145.10072	17.5
147.11647	27.9
149.13242	12.4
155.08554	4.2
157.10088	11.9
159.11668	19.0
161.13246	17.0
163.11124	8.0
171.11659	7.3
173.11760	8.9
173.13242	10.0
175.14786	5.6
177.12657	4.2
183.11755	4.2
184.07330	22.7
185.13191	4.6
199.14813	4.9
201.68869	4.3
229.14380	7.5
241.19464	7.4
243.15866	6.7
259.20541	24.1
269.17493	15.7
271.19128	5.4
275.19971	4.6
287.18506	22.6
300.45935	4.3
315.23209	5.0
333.24304	26.8
335.25644	4.6
354.60248	4.0
421.31024	5.2
463.30222	16.5
465.32135	10.5
469.33118	6.1
487.34119	54.0
513.35663	36.9
519.36255	5.5
531.37335	5.8
545.38348	32.4
614.14886	6.1
761.40118	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	761.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01876	0.7
55.05507	1.3
57.03423	2.5
59.04988	1.7
61.02919	6.9
61.68169	0.6
67.05479	3.9
69.03414	3.3
69.07055	2.1
69.53847	2.0
69.54263	3.6
70.06580	1.1
71.04977	3.2
73.02904	3.9
79.05483	3.9
81.03391	6.1
81.07030	6.0
83.04985	1.0
83.08601	1.2
85.02888	7.0
85.06523	1.3
86.09677	1.0
87.04417	0.7
91.03947	2.8
91.05453	4.8
91.08293	0.6
93.07037	4.5
95.04967	2.7
95.08596	2.7
97.02881	5.0
97.06500	1.3
99.04439	1.3
101.02340	1.7
105.07031	3.7
107.04894	0.9
107.08585	2.6
109.00631	0.6
109.02843	1.3
109.06483	1.3
109.10125	1.4
111.08045	0.9
119.08572	2.9
120.86263	0.6
121.06508	1.8
121.10102	3.7
123.11729	0.7
127.03955	1.4
128.35825	0.7
128.58902	0.7
129.07011	1.8
131.08577	2.6
133.10097	2.4
139.03925	1.4
142.07832	0.7
147.08096	1.1
147.11676	2.7
149.09569	3.5
151.11168	0.8
157.10136	2.1
163.11090	0.6
167.06992	0.7
175.11168	2.5
179.08992	0.6
184.07330	0.8
193.12189	4.1
197.15300	0.8
217.08447	0.6
225.07149	0.7
225.14906	1.1
243.08365	3.2
259.88025	0.6
267.15823	1.5
283.15103	7.9
283.17856	0.8
294.92566	0.6
339.17883	2.3
469.20386	1.0
501.22995	32.0
502.23483	0.9
535.21552	0.7
599.33649	0.9
622.26648	0.7
761.39136	100.0
762.39563	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	761.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18529	0.7
55.05492	2.1
57.03403	1.9
61.02919	4.4
67.05489	5.8
69.03423	2.7
69.07054	4.8
71.68773	0.9
72.93188	0.8
73.02892	3.8
76.04059	0.8
79.05491	5.7
81.03406	2.2
81.07039	6.7
82.19814	1.0
83.04999	1.3
83.08610	1.0
85.02893	5.2
86.09676	1.6
91.03949	2.3
91.05455	6.7
93.07026	5.7
95.04967	2.8
95.08584	3.8
97.02908	4.0
97.06524	0.9
97.10168	0.8
99.04428	0.8
101.02385	2.4
103.05386	0.9
105.07002	7.0
107.04967	2.4
107.08599	3.0
109.10155	1.7
111.08129	1.1
117.07025	1.2
119.08573	3.7
121.10117	1.9
123.08084	1.0
123.11760	0.8
127.03930	1.5
131.08542	2.2
133.10086	3.8
145.10088	1.9
145.14893	0.7
147.11711	1.6
149.09566	1.1
157.10150	1.3
159.11693	1.5
167.42033	0.9
179.14357	0.9
184.07335	6.8
202.25340	0.9
223.69785	0.8
243.08440	2.7
251.12404	1.1
275.20255	1.1
307.15256	1.0
315.19357	3.6
352.90335	0.9
371.22000	1.3
376.65192	0.9
408.31021	0.8
469.20471	5.7
533.27289	11.4
545.38477	0.9
564.58582	0.8
658.43927	1.0
761.40662	100.0
762.41071	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	761.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18529	0.7
55.05492	2.1
57.03403	1.9
61.02919	4.4
67.05489	5.8
69.03423	2.7
69.07054	4.8
71.68773	0.9
72.93188	0.8
73.02892	3.8
76.04059	0.8
79.05491	5.7
81.03406	2.2
81.07039	6.7
82.19814	1.0
83.04999	1.3
83.08610	1.0
85.02893	5.2
86.09676	1.6
91.03949	2.3
91.05455	6.7
93.07026	5.7
95.04967	2.8
95.08584	3.8
97.02908	4.0
97.06524	0.9
97.10168	0.8
99.04428	0.8
101.02385	2.4
103.05386	0.9
105.07002	7.0
107.04967	2.4
107.08599	3.0
109.10155	1.7
111.08129	1.1
117.07025	1.2
119.08573	3.7
121.10117	1.9
123.08084	1.0
123.11760	0.8
127.03930	1.5
131.08542	2.2
133.10086	3.8
145.10088	1.9
145.14893	0.7
147.11711	1.6
149.09566	1.1
157.10150	1.3
159.11693	1.5
167.42033	0.9
179.14357	0.9
184.07335	6.8
202.25340	0.9
223.69785	0.8
243.08440	2.7
251.12404	1.1
275.20255	1.1
307.15256	1.0
315.19357	3.6
352.90335	0.9
371.22000	1.3
376.65192	0.9
408.31021	0.8
469.20471	5.7
533.27289	11.4
545.38477	0.9
564.58582	0.8
658.43927	1.0
761.40662	100.0
762.41071	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	763.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78705	1.5
60.08142	3.2
61.10569	1.5
67.05488	2.7
69.49335	14.8
79.05519	1.8
81.07037	2.0
86.09699	17.3
87.10041	2.0
88.80532	1.5
94.19476	1.5
98.20686	3.3
98.21365	4.4
107.08532	1.7
124.99957	10.7
128.81244	1.5
130.59946	1.4
184.07324	46.3
185.07709	6.2
220.77658	1.6
347.51083	2.3
535.26331	2.3
713.46136	3.6
763.40326	100.0
764.41132	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	763.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01848	0.6
55.05494	1.7
57.03429	2.6
57.92776	0.4
60.08154	0.4
60.38650	0.4
61.02915	5.9
62.77715	0.4
65.47684	0.4
66.28570	0.4
67.05496	4.2
69.03422	3.4
69.07046	1.8
70.75474	0.8
71.01335	0.6
71.04984	0.8
73.02896	3.1
79.05481	5.8
81.03406	2.7
81.07051	4.2
83.04958	0.7
83.08602	1.5
85.02892	5.9
86.09704	1.0
86.85987	0.4
91.03939	3.4
91.05466	4.4
93.07025	5.9
95.01170	0.5
95.04950	1.2
95.08584	2.6
97.02874	5.0
97.06512	0.7
99.04433	1.1
100.81133	0.5
101.02377	1.8
103.03960	0.4
105.07009	4.3
107.08591	2.7
109.02855	1.1
109.10146	1.3
111.08080	0.9
117.07011	0.9
119.08568	2.8
121.10139	1.7
125.00005	0.6
127.03902	1.4
129.07007	0.6
131.08562	1.9
133.10107	2.4
135.11716	1.3
145.04839	0.5
145.10149	1.1
147.11700	1.6
149.09514	0.4
157.10115	0.9
159.11664	0.6
184.07278	3.1
185.04210	1.5
185.07686	0.6
193.12177	0.8
241.19597	0.4
243.08340	3.7
251.12569	1.8
259.20593	0.4
266.17529	0.5
301.08948	1.3
314.20224	0.4
315.10406	0.7
317.20953	0.5
383.16992	0.4
443.18512	0.6
465.20911	1.0
467.22708	0.5
469.20483	6.8
535.28729	9.0
541.22455	1.1
601.37256	0.6
625.31097	0.4
763.42169	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	763.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01859	0.9
55.05499	1.9
57.03426	2.1
57.49421	0.5
61.02918	5.7
67.05502	6.1
69.03429	3.2
69.07063	2.4
70.93641	0.6
70.93957	1.1
71.04984	0.6
73.02899	3.5
79.05484	5.5
81.03411	2.7
81.07044	7.9
83.08617	1.6
85.02899	5.2
86.09703	0.7
87.04475	0.7
91.03938	3.0
91.05457	3.7
93.07020	5.6
95.04956	1.4
95.08615	2.3
97.02892	4.9
97.06522	1.3
99.04437	1.1
101.02357	1.8
105.07016	2.4
107.08598	2.9
109.02893	0.8
111.08076	0.8
115.03932	1.0
117.07010	1.6
119.08534	0.9
121.10129	1.6
125.00064	0.6
127.03927	2.0
129.07053	0.6
131.08597	1.7
133.10136	1.3
135.11699	1.5
145.10156	0.9
147.11632	1.1
149.13274	1.8
159.11629	0.8
177.12769	0.9
184.07317	1.6
185.04195	0.8
235.13167	0.7
243.08475	2.9
333.20285	1.8
357.02176	0.6
446.60815	0.7
453.20865	9.7
469.20380	1.7
535.28912	0.9
541.22699	0.6
551.28107	5.3
665.34747	0.7
763.42175	100.0
764.42694	6.7
781.08673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
53.29729	0.5
55.05504	1.5
57.03431	1.3
61.02918	7.2
67.05497	6.9
68.56934	0.6
69.03412	4.0
69.07044	1.9
70.29940	2.5
71.04986	2.5
73.02907	5.8
79.05489	4.3
80.32005	0.5
81.03407	2.3
81.07047	8.4
83.08609	0.9
85.02891	5.9
91.03934	4.3
91.05473	4.2
93.07034	3.9
95.04948	0.8
95.08586	4.4
97.02879	6.7
99.04460	1.0
101.02390	1.7
103.03947	0.7
105.07036	2.3
107.08596	2.5
109.02837	0.7
109.06463	0.5
109.10142	2.0
115.03930	0.7
117.06999	0.7
119.08561	1.3
121.10142	1.8
127.03916	1.8
131.08545	1.4
133.10144	1.5
135.11693	1.2
145.10143	0.7
149.13283	0.7
185.04288	1.0
243.08488	2.8
259.26328	0.6
267.15707	1.8
335.25912	1.3
352.15320	0.6
400.67053	0.6
402.33713	0.6
485.23621	4.9
519.29333	11.2
520.29492	0.6
713.83917	0.7
763.45911	100.0
764.46307	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	768.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
55.05500	17.8
57.03429	3.7
59.04965	1.0
61.02924	1.3
65.03908	1.7
67.05139	1.9
67.05492	29.2
68.05849	1.0
69.03417	6.4
69.07063	18.9
71.04983	1.9
73.02874	1.1
73.06564	1.4
74.09727	1.1
79.05479	35.2
81.03410	7.9
81.07048	30.1
83.04967	7.5
83.08601	7.3
85.02912	2.0
85.06522	1.2
91.05465	32.1
93.07034	34.7
95.04947	14.2
95.08594	15.1
97.02863	5.5
97.06520	5.3
97.10146	7.9
98.21469	2.5
105.07018	25.5
107.04945	6.9
107.08584	15.2
109.06499	3.3
109.10155	6.7
111.08087	2.5
115.05441	1.2
117.06985	8.6
117.64088	1.1
119.04891	1.5
119.08567	20.6
121.06521	4.1
121.10117	4.9
121.41228	1.2
123.08073	4.0
125.09615	6.8
127.03882	1.4
127.92511	1.1
128.06209	2.0
129.06995	6.7
131.08505	6.3
133.06473	3.5
133.10115	8.3
133.95869	1.2
135.08034	1.9
135.11678	1.8
137.09549	1.6
142.07750	1.1
143.08534	6.2
145.10106	10.7
147.08051	4.9
147.11678	15.1
149.09618	1.8
149.13240	1.6
153.09167	1.5
155.08513	1.6
157.10132	2.9
159.11633	3.1
161.09622	4.3
161.13248	4.4
163.11208	2.5
165.09096	2.1
167.08617	1.4
169.10107	1.4
171.11674	13.9
173.13199	1.3
173.50513	1.2
174.81985	1.0
175.11156	2.2
181.06409	1.2
185.13286	1.7
187.65759	1.2
189.11235	2.6
189.12761	5.9
207.13780	13.0
223.13240	9.9
225.14975	1.4
227.12775	3.6
249.14839	1.8
267.15903	1.7
273.18442	13.4
275.19998	2.2
275.26144	1.1
281.14905	1.0
281.17419	50.3
291.19501	72.5
292.20059	1.7
347.21979	3.1
348.07144	1.1
360.91751	1.4
365.23157	30.7
366.23523	2.0
381.96573	1.3
469.15802	1.5
473.28827	3.4
553.34778	3.0
571.36249	100.0
572.36328	6.3
607.43152	4.5
768.46295	1.7
769.47723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	10.8
55.05501	27.0
57.03425	7.5
57.33324	1.7
65.03929	7.2
65.62466	1.9
67.05495	100.0
69.03411	5.6
69.07059	25.0
71.04974	5.4
71.08615	2.0
71.43353	3.5
73.02940	2.0
73.06539	2.2
78.00307	1.6
79.05480	90.4
81.03402	14.9
81.07043	91.7
82.07341	2.2
83.04966	22.6
83.08613	7.3
83.57252	1.9
85.02879	2.7
85.06529	8.1
91.05463	96.5
93.07030	95.9
95.04957	27.7
95.08588	44.8
97.02893	2.7
97.06512	9.1
97.10164	4.9
99.04440	3.9
99.36746	1.6
101.06020	1.9
103.05470	2.5
105.04471	2.9
105.07011	76.4
105.07722	3.8
107.04935	15.1
107.08574	49.3
109.06506	15.7
109.10144	45.8
111.08078	6.2
113.05968	1.7
115.05437	3.4
116.06255	1.8
117.06991	17.5
119.08558	33.2
121.06489	13.4
121.10131	10.7
123.04358	2.2
123.08081	10.1
123.11667	11.5
125.09532	2.1
127.07526	4.7
128.06232	6.8
129.07002	21.0
131.08548	16.5
133.06451	9.4
133.10109	69.7
135.08029	13.0
135.11644	9.6
137.05951	2.4
137.09648	4.9
139.07497	2.7
141.06975	2.5
143.08546	14.3
145.10097	21.6
147.08058	6.7
147.11667	38.3
149.09592	10.6
151.11154	31.8
151.12300	3.0
153.06918	1.8
155.08568	2.7
157.10098	3.9
159.08015	4.0
159.11670	5.4
159.94591	1.5
161.09625	12.7
161.13269	12.9
163.11171	3.6
165.09029	1.7
169.12228	4.2
171.11656	27.5
173.09509	3.4
173.13226	3.2
175.11153	4.3
175.14748	2.0
177.09097	2.3
177.12718	2.2
179.14337	2.0
185.13274	2.0
189.12691	12.6
195.13777	2.0
207.13766	24.9
215.12709	4.3
216.69684	1.7
225.14754	2.1
237.16383	2.6
245.18962	7.9
251.12865	4.5
253.14311	95.5
254.14813	4.3
255.17474	4.0
263.20007	4.7
273.18454	38.2
275.20078	3.1
281.17444	65.9
281.20526	3.6
291.19485	41.3
309.20618	4.6
347.22104	15.8
365.23199	28.7
421.10452	2.2
475.26871	3.6
477.28439	29.5
543.36743	4.0
553.35046	15.5
571.36212	92.7
572.36334	5.7
609.45166	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	769.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05475	0.5
57.03199	0.2
57.03427	1.8
61.02897	0.4
65.03928	0.3
68.99745	0.3
69.03416	3.6
69.44632	1.5
69.45035	0.3
70.05992	0.2
71.01306	0.2
71.04977	5.7
72.99384	0.2
73.02883	1.1
75.04446	0.3
77.23384	0.2
79.17471	0.2
81.03397	4.0
83.04953	1.8
85.02885	15.1
87.04426	0.3
92.02599	0.6
93.03388	0.6
95.04952	0.4
97.02869	5.8
98.21532	0.2
99.04433	7.1
103.03918	7.4
109.02851	4.7
111.00809	0.2
111.04415	1.4
115.03865	0.2
121.02828	0.8
123.04413	0.2
127.03887	15.3
128.04187	0.2
129.05464	1.7
135.04347	0.3
137.05963	0.2
139.03865	0.6
145.04924	6.0
147.06433	0.5
151.03871	1.6
153.01790	4.9
163.03886	0.4
163.05994	1.7
165.01796	0.6
169.04865	0.4
177.05464	0.4
187.06018	1.0
200.04698	0.2
201.05463	0.6
203.03398	0.2
217.04898	0.4
218.05675	0.3
228.04149	0.7
229.04990	1.4
229.06998	0.4
237.07527	0.2
245.04456	0.8
246.05225	1.3
253.06876	0.4
255.08557	0.3
257.04425	1.6
260.03128	0.2
261.07410	0.3
267.10925	0.2
271.08179	1.0
273.03833	1.3
274.04675	3.1
284.03116	0.4
285.03882	2.2
289.09161	0.6
298.04849	0.2
299.05334	0.2
301.03372	0.4
302.04150	11.2
303.04361	0.4
314.04214	0.5
315.04840	0.6
316.05682	0.4
317.06488	100.0
318.06799	3.4
323.78580	0.2
329.06473	1.8
340.05780	0.2
341.06473	1.2
353.06207	0.2
355.08078	0.3
359.07547	6.4
360.07800	0.4
371.07996	0.2
381.11154	0.2
383.07452	1.7
399.12350	0.2
401.08530	0.2
409.08966	0.5
425.08401	0.8
427.10028	1.7
445.11169	1.2
461.10440	0.3
463.12268	2.5
469.11029	0.2
537.05231	0.2
587.13562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.3
55.05502	38.7
57.03434	12.2
57.07061	2.3
61.02919	14.7
65.03925	6.4
66.47895	1.9
67.05497	62.4
69.03049	2.1
69.03417	28.5
69.07059	27.9
71.04974	5.4
73.02895	11.7
79.05021	2.8
79.05480	56.2
81.03400	40.3
81.07043	61.1
83.04977	11.7
83.08610	14.6
85.02893	19.0
85.06525	2.9
91.03930	5.9
91.05463	55.9
92.05799	2.4
93.07030	52.5
95.04968	11.4
95.08591	49.7
97.02873	19.3
97.06501	6.0
97.10172	9.3
99.04438	4.4
99.08052	2.2
103.03911	1.9
103.05412	3.1
105.07011	50.6
106.40363	1.9
107.04923	8.7
107.08579	33.0
109.02863	6.8
109.06487	8.9
109.10133	18.0
111.04423	4.0
111.08060	5.5
115.05421	4.9
116.06259	1.8
117.07001	27.0
119.08550	39.1
121.02837	3.2
121.06482	4.5
121.10120	21.4
123.08041	6.3
123.11666	4.5
125.09605	6.1
125.39624	1.8
127.03900	10.7
127.98404	2.1
128.06207	8.3
129.05478	3.7
129.06979	22.1
131.04897	2.0
131.08545	32.8
133.06403	3.0
133.10109	22.7
135.08025	6.5
135.11658	8.7
137.09584	5.8
141.06949	13.6
142.07736	6.9
143.08540	29.7
145.04990	2.6
145.06334	3.8
145.10097	28.5
147.07979	5.3
147.11659	12.0
149.02332	44.5
149.03384	2.1
149.09589	8.0
149.13246	3.3
151.11200	3.5
153.06911	3.7
154.07750	3.2
155.08536	19.9
156.09288	3.3
157.10101	22.1
159.07953	3.2
159.11661	21.9
161.09596	4.5
161.13254	7.1
163.11111	2.9
165.07028	4.7
165.12706	2.3
166.07704	3.5
167.08540	15.1
168.09302	2.6
169.10123	22.2
170.10823	2.2
171.11661	16.5
173.04459	9.4
173.09592	5.3
173.11894	2.7
173.13197	13.3
175.11139	3.8
175.14799	5.2
177.12672	3.0
178.07726	2.7
179.08534	8.6
180.09314	3.4
181.10075	18.3
182.10812	2.6
183.08131	2.6
183.11687	23.2
185.09625	3.2
185.13197	10.7
187.11272	2.3
187.14810	6.3
189.12733	2.5
189.16335	3.1
193.04947	43.9
193.10060	8.9
195.11661	19.2
196.12146	2.5
197.13222	12.9
198.13828	2.5
199.11166	2.8
199.14857	8.9
201.16344	2.3
205.10158	3.0
207.11658	11.1
208.12352	2.4
209.13258	17.6
211.11136	4.0
211.14806	9.9
213.12669	3.0
213.16371	4.8
215.17795	1.9
217.10020	1.9
219.11633	6.2
221.13283	9.3
223.11086	2.7
223.14789	12.6
225.12744	2.2
225.16402	9.4
227.18044	2.4
229.14244	2.4
233.13298	3.1
235.14790	5.4
237.16362	7.2
239.17900	5.1
241.19516	3.9
247.20412	2.3
249.16353	5.7
249.69394	2.0
251.18134	1.9
257.19016	3.8
259.20520	3.5
263.17883	4.3
265.19446	2.4
273.18719	2.6
275.20068	19.7
283.20605	2.7
293.22284	2.5
297.18552	2.1
297.21762	2.5
299.20291	2.7
301.21558	2.5
313.07153	2.1
313.21585	2.7
321.22232	5.5
325.21606	4.5
333.24100	4.4
337.21472	2.5
341.06339	3.0
349.25067	3.1
351.23114	3.1
367.22647	3.6
369.24341	2.1
379.26059	2.7
385.08954	4.1
385.23523	2.5
513.35437	5.8
515.38599	10.9
517.34869	2.3
533.39783	4.7
537.35846	3.3
541.34662	2.0
589.41895	6.9
605.41559	3.4
607.43500	100.0
608.43927	5.7
609.45129	2.3
619.43256	2.4
625.44653	3.9
649.45087	3.9
659.42847	3.1
715.45502	2.9
733.46246	6.2
751.47369	4.7
769.17224	4.3
769.48706	40.0
770.48389	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	769.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21272	1.6
55.01856	9.2
55.05501	34.5
55.43058	1.4
57.03425	12.7
57.07053	5.6
61.02913	15.3
65.03926	16.6
67.05492	78.6
69.03418	33.2
69.07057	26.5
69.37101	17.4
70.70927	1.4
71.01324	1.7
71.04987	8.2
73.02892	10.1
79.05019	3.1
79.05482	62.9
81.03401	39.9
81.07043	71.6
83.04965	13.2
83.08610	12.0
85.02890	21.7
85.06525	4.1
87.04450	1.7
91.03932	5.3
91.04922	3.3
91.05466	58.8
92.05835	1.5
93.07029	50.7
95.04951	14.9
95.08591	47.7
97.02872	29.4
97.06498	6.6
97.10153	7.9
99.04459	8.0
99.08092	2.9
101.02352	4.5
103.05418	3.9
105.04494	2.0
105.07006	58.4
107.04932	6.0
107.08578	35.4
108.58159	1.5
109.02838	9.0
109.06505	7.8
109.10140	19.8
111.04430	5.5
111.08083	4.6
113.09613	2.0
115.03915	1.5
115.05418	3.9
116.06200	1.8
117.06991	25.2
119.08556	46.0
121.02840	2.1
121.06492	5.0
121.10121	20.7
123.07985	4.0
123.11678	5.3
125.09622	7.4
127.03899	11.1
128.06168	9.4
129.05441	4.5
129.06985	23.9
130.07733	1.5
131.04874	2.4
131.07645	2.7
131.08543	33.4
133.06432	3.8
133.10114	26.3
135.08018	6.3
135.11678	11.3
137.09549	2.4
137.13245	1.8
139.03882	4.6
139.11150	2.0
141.06973	12.1
142.07722	5.6
143.08536	25.5
145.06424	3.4
145.10100	30.8
147.04361	3.0
147.07959	5.0
147.11642	19.4
149.02321	98.6
149.03415	6.5
149.09622	7.0
149.13239	5.9
150.02631	5.9
152.06250	1.8
153.06926	4.8
154.07713	2.9
155.08527	21.8
156.09247	4.6
157.06473	2.6
157.10107	23.9
158.10658	1.6
159.07986	3.2
159.11667	19.7
161.05908	1.8
161.09595	6.4
161.13226	9.7
163.11133	3.2
165.07010	5.1
165.12694	1.9
166.07713	3.1
167.08528	12.7
168.09314	5.1
169.10104	24.6
171.08032	2.4
171.11662	18.6
173.04446	15.5
173.09584	4.4
173.11938	2.2
173.13220	11.4
175.03902	1.9
175.11172	2.7
175.14777	2.6
177.12686	3.4
179.08560	7.3
180.09320	1.9
181.10083	18.7
182.10825	3.5
183.08031	3.2
183.11662	22.6
185.09596	2.8
185.13216	14.5
187.11197	2.6
187.14745	5.4
189.12633	2.0
191.08498	2.3
192.09334	3.2
193.04938	100.0
193.10080	9.7
194.05278	6.9
194.10866	3.8
195.11661	17.3
197.13235	15.8
199.11150	2.4
199.14821	7.6
201.12759	1.9
201.16373	2.8
205.10056	3.5
206.10854	2.5
207.11652	10.7
208.12466	1.6
209.13266	14.4
211.11131	1.6
211.14752	9.7
213.12785	3.4
213.16367	3.6
215.14388	2.5
217.15904	1.8
219.11681	3.1
220.12299	1.7
221.09772	1.6
221.13223	8.9
223.14799	7.6
225.12692	2.5
225.16411	5.4
227.17981	2.3
227.20035	4.6
229.19522	1.8
231.17393	1.8
233.13191	4.2
233.15372	2.0
235.14812	6.6
237.16324	6.0
239.17897	6.2
241.19591	3.3
247.14859	4.3
247.20488	1.9
249.16400	6.3
251.17911	4.3
257.18933	6.6
259.20560	4.0
261.16336	2.8
263.17926	3.0
265.19626	2.3
271.20419	1.9
273.18634	2.2
273.22424	2.1
275.20068	16.7
279.21225	2.1
289.19336	2.3
295.20224	2.0
297.22055	1.9
299.20056	2.1
315.23108	2.7
321.21994	3.8
323.23376	1.7
325.21674	1.9
327.23071	1.9
333.24356	1.8
335.23447	1.8
341.06461	3.2
341.24567	1.7
347.22971	1.9
349.23889	5.5
363.26825	1.8
367.22556	5.5
369.24185	1.8
385.09137	4.6
385.23666	3.7
403.24701	2.3
403.29910	2.1
419.29355	1.9
441.26526	2.3
445.31403	2.0
459.27164	2.3
507.33847	1.9
513.35492	5.6
515.38776	8.6
533.39661	4.4
537.35510	3.7
538.36005	2.3
589.42090	4.4
605.41815	3.7
607.43512	95.1
608.43671	7.6
609.44830	3.3
616.65869	2.2
625.44617	7.4
653.39465	2.7
671.41180	2.9
679.44940	2.0
715.45526	2.9
733.46289	6.2
751.47119	8.0
769.18115	7.7
769.48615	46.8
770.48566	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	769.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
55.05500	19.3
57.03422	10.4
57.07059	2.1
59.04985	1.2
61.02611	1.0
61.02918	17.4
65.03924	3.0
67.05493	35.7
69.03420	16.1
69.07053	17.4
71.01327	2.1
71.04986	3.9
71.69875	0.9
73.02904	11.8
79.05482	26.7
81.03401	13.9
81.07043	30.9
83.04958	4.8
83.08601	8.5
85.02889	17.7
85.06516	1.8
85.98232	0.7
86.50758	0.7
87.04457	2.3
89.05988	1.3
91.03947	10.3
91.05013	0.5
91.05465	26.5
93.07030	28.0
95.04975	5.8
95.08588	31.7
97.02879	19.4
97.03417	0.6
97.06509	4.2
97.10159	4.8
99.04462	4.0
101.02360	4.0
103.05467	1.6
105.07013	24.7
107.04935	2.5
107.08572	15.6
109.02872	3.1
109.06506	3.5
109.10139	11.7
111.04431	2.0
111.08078	2.1
113.09633	0.9
115.03931	1.6
115.05457	2.3
117.07000	13.1
117.07788	1.2
119.08557	21.5
121.06485	2.5
121.10117	10.8
123.08064	3.4
123.11694	2.5
125.09620	3.5
127.03896	5.1
128.06189	4.5
129.05484	2.2
129.06987	14.1
130.07756	1.2
131.07639	1.5
131.08546	18.0
133.06404	0.8
133.10103	14.5
135.08064	1.7
135.11681	5.5
137.09590	1.6
141.06963	9.0
142.07761	4.1
143.08543	14.2
145.04947	1.7
145.06470	1.3
145.10106	17.3
146.10428	1.0
147.08043	1.9
147.11668	10.6
149.02368	1.1
149.09595	2.4
149.13240	2.6
151.07585	1.2
151.11127	1.3
153.06990	2.8
154.07753	2.3
155.08524	16.2
155.09793	1.3
156.09311	1.2
157.10097	15.2
159.08026	1.8
159.11670	14.3
161.09627	2.0
161.13179	3.7
163.11139	1.3
163.14793	1.0
165.06927	4.1
165.12732	0.9
166.07771	1.9
167.08548	9.5
168.09309	2.6
169.10085	18.4
170.10851	1.8
171.08047	1.8
171.11674	12.0
173.04456	2.1
173.09642	1.8
173.13258	7.5
175.11188	1.8
175.14809	1.6
177.12711	1.3
178.07767	2.3
179.08502	6.6
180.09302	3.0
181.10095	13.5
182.10832	2.3
183.11659	16.9
185.09637	1.7
185.13246	7.6
187.11221	1.1
187.14824	2.4
189.12766	1.2
191.08496	1.4
192.09178	1.5
193.05031	1.0
193.10088	9.5
194.10927	1.2
195.11665	16.8
196.12370	1.8
197.13211	12.8
198.13940	0.9
199.11188	1.4
199.13231	1.3
199.14804	7.2
203.14220	1.3
205.10167	2.6
206.10864	1.4
207.11687	8.9
208.12395	1.8
209.13226	13.7
210.13849	1.5
211.11229	1.3
211.14772	7.9
213.12758	1.2
213.16397	2.7
215.14261	1.0
215.17976	1.1
217.10110	1.5
218.10751	0.8
219.11671	3.7
220.12395	2.1
221.13219	8.1
222.13919	0.9
223.11240	1.2
223.14789	10.5
225.12683	1.3
225.16339	5.3
227.08940	0.8
227.18039	1.6
227.19997	5.7
229.10202	0.8
231.11664	1.7
233.13257	3.5
234.13940	1.3
235.14793	7.7
237.12772	1.3
237.16347	5.8
239.18034	3.9
241.19377	0.9
245.13263	1.4
247.14789	3.1
247.20551	0.8
249.16360	4.8
250.16838	0.9
251.17998	3.6
253.19734	1.2
255.17357	1.3
257.18979	1.7
259.14825	1.4
261.16394	2.2
263.17957	3.3
265.15836	0.8
265.19519	2.6
267.21231	1.6
269.18961	1.2
271.20532	1.3
273.18677	1.4
275.17526	1.1
275.20132	4.3
277.19525	1.7
279.21173	1.0
283.20605	1.0
285.22061	1.0
289.19431	1.0
295.20541	1.4
299.20135	1.5
303.21060	1.2
305.18921	0.8
305.22629	1.2
307.20563	1.5
309.22092	1.5
313.21899	1.3
315.23016	0.8
319.20480	1.0
321.22116	2.5
323.20081	0.9
323.23657	1.5
325.21899	1.4
325.25473	1.0
333.22183	1.0
335.23386	1.2
337.25113	1.0
339.23230	2.1
341.24744	1.0
347.23489	1.4
349.24976	2.6
353.24768	0.9
363.26913	1.6
365.24741	1.8
367.26376	1.5
375.26813	1.0
377.24408	1.3
377.28598	1.6
379.25955	1.6
389.28241	1.5
391.26013	1.2
391.30301	1.2
393.27847	1.1
403.30493	0.9
405.27255	1.0
407.29523	2.1
415.30096	0.9
419.29410	1.4
421.30719	1.0
431.28751	1.3
441.26285	1.1
445.30890	2.7
447.32205	2.1
451.32233	0.9
457.30228	0.8
459.32297	1.3
473.32626	0.7
481.32755	1.0
485.32919	1.5
497.37918	1.8
499.34024	1.4
507.34326	1.0
511.34177	1.2
513.35858	2.8
515.39026	7.6
521.36615	1.4
525.35870	2.8
527.37915	1.0
533.40033	4.7
537.35858	3.8
538.36414	2.3
539.37445	2.7
541.38422	1.4
551.40503	1.3
553.39001	1.7
565.39148	1.3
571.41168	0.9
581.40967	0.9
589.42560	6.1
605.41974	3.0
607.43488	100.0
608.43787	10.9
609.44800	1.4
619.42987	2.1
623.43030	1.0
625.44666	1.2
649.43994	1.7
659.41888	1.1
733.46545	3.5
751.47266	2.8
769.48547	29.3
770.49084	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	769.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.4
55.05498	44.6
57.03433	17.3
57.07058	6.5
61.02914	13.1
65.03921	8.9
67.05492	99.2
69.03415	43.6
69.07056	38.9
70.95404	5.6
71.01348	3.4
71.04971	15.1
72.54860	2.2
73.02887	7.0
79.05476	92.2
81.03402	72.2
81.03880	4.5
81.07043	98.4
83.04960	23.5
83.08613	15.2
85.02877	20.9
85.06521	5.7
87.04457	3.1
91.03934	4.1
91.05464	100.0
93.07028	81.3
95.04956	27.2
95.08588	63.6
97.02872	29.8
97.06511	13.2
97.10141	7.0
99.04440	9.3
99.08049	5.5
101.02386	3.2
103.05458	4.1
105.04493	4.9
105.07014	81.2
105.07725	4.4
106.07339	2.6
107.04942	13.4
107.08574	48.1
109.02860	18.0
109.06494	13.2
109.10137	24.7
111.04436	6.5
111.08061	7.6
115.05429	7.6
116.06269	2.2
117.06991	42.6
119.08556	68.8
121.06496	8.7
121.10115	28.0
123.04396	4.1
123.08054	7.5
123.11702	9.2
124.41405	1.9
125.09571	5.6
127.03886	14.1
128.06216	9.5
129.05470	5.0
129.06976	36.0
131.04887	4.3
131.08546	54.3
133.06500	6.6
133.10097	44.5
135.08044	9.1
135.11667	18.8
137.09595	5.1
137.35857	2.1
141.06966	14.2
142.07726	7.9
142.57716	2.1
143.08539	34.8
145.06480	9.1
145.10101	48.0
147.08011	7.2
147.11662	28.2
149.09618	7.9
149.13220	11.9
151.11188	6.2
153.06984	5.4
154.07697	4.9
155.08505	23.3
156.09346	3.5
157.06465	5.4
157.10091	28.8
159.08017	7.6
159.11687	30.8
161.09633	5.4
161.13243	12.8
163.11168	6.2
163.14850	3.5
165.06976	5.6
165.12775	2.8
167.08530	15.9
168.09299	6.6
169.10118	25.3
171.08099	4.3
171.11630	25.7
173.04465	22.5
173.09618	5.5
173.13223	18.0
175.11153	4.2
175.14836	4.1
177.12753	4.9
179.08524	6.2
180.09331	7.3
181.10103	18.5
182.10805	3.6
183.11638	20.2
184.12479	4.0
185.09605	5.6
185.13191	17.0
187.11169	9.1
187.14819	8.9
189.12703	4.6
189.16495	3.3
191.08595	3.2
191.14302	2.6
193.10135	8.5
194.10767	4.2
195.08018	4.1
195.11664	17.9
195.13664	4.8
197.13187	13.7
199.11147	3.6
199.14775	11.4
201.16386	4.9
205.10132	5.6
205.11942	2.7
207.11664	10.1
207.13603	3.3
209.13327	13.2
211.11110	5.0
211.14857	7.3
213.12735	3.2
213.16367	4.7
215.14270	3.4
219.11684	9.3
221.13217	13.4
223.11276	2.7
223.14746	8.6
225.12747	2.9
225.16371	7.4
227.17989	3.2
231.11719	3.2
233.13293	3.3
233.15422	3.5
235.14806	7.0
237.16434	7.6
239.17964	4.9
241.19545	6.4
247.14867	5.8
251.17992	3.6
257.18976	7.8
259.20581	11.3
261.16455	3.0
267.15756	3.1
269.17505	6.3
271.20563	4.0
273.18640	5.1
275.20059	32.2
287.19983	2.8
289.21756	2.7
295.20609	3.1
301.21552	3.5
311.19861	2.4
313.21606	3.2
315.23184	6.4
323.23590	3.2
325.21500	3.0
327.23242	4.8
331.23022	2.6
339.23071	5.3
343.22598	2.5
349.20975	3.7
349.24100	4.5
367.22650	9.3
369.24155	3.2
385.23804	6.2
415.25388	2.4
423.25159	2.8
441.26294	4.3
459.27036	3.4
515.38477	8.5
527.37280	7.9
539.93170	2.7
543.35712	2.5
589.41748	5.6
607.43463	80.2
608.43518	7.7
625.44379	5.5
631.43347	3.5
635.38995	4.3
653.40424	7.1
671.41254	8.6
715.45514	3.3
733.46039	9.4
751.47260	8.0
769.48663	40.7
770.48901	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	769.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.1
55.05503	28.2
57.03420	12.2
57.07069	5.4
61.02919	18.1
65.03929	4.6
65.12556	2.4
67.05495	66.5
69.03424	21.7
69.07056	29.5
71.04966	8.3
71.70044	3.5
73.02907	11.5
79.05022	3.8
79.05483	60.0
80.05819	3.4
81.03403	30.4
81.07047	55.3
83.04960	11.0
83.08603	8.9
84.27122	2.2
85.02897	23.3
85.06526	5.8
88.06871	2.3
91.03944	9.7
91.05473	52.9
93.07033	59.0
94.07386	3.7
95.04966	15.6
95.08596	44.3
97.02884	21.9
97.06513	6.8
97.10149	9.9
99.04452	6.5
101.02374	4.8
105.07010	51.1
106.07315	2.7
107.04951	8.5
107.08597	31.4
109.02858	9.1
109.03564	2.5
109.06496	7.1
109.10134	15.0
110.74689	2.6
111.04412	5.9
111.08047	3.0
115.05432	4.1
117.07000	24.0
119.08557	38.1
120.08899	2.4
121.06461	7.8
121.10132	16.3
123.08055	8.0
123.11697	5.2
125.09627	3.3
127.03924	10.7
128.06247	5.7
129.05463	4.0
129.06975	21.0
130.07776	3.2
131.04932	2.8
131.08556	28.4
133.06451	4.0
133.10120	24.1
134.10487	2.6
135.08061	4.4
135.11688	6.4
137.09555	3.1
137.13339	2.7
141.06978	11.0
142.07762	6.5
143.08563	22.2
145.06346	2.8
145.10115	24.6
147.08037	2.9
147.11655	18.2
149.09599	4.6
149.13251	4.7
153.06940	2.5
155.08508	13.4
156.09323	2.5
157.10146	14.0
159.08089	2.8
159.11655	18.8
161.13249	8.0
163.11124	2.8
165.07025	3.5
167.08546	11.7
168.09312	3.4
169.10104	20.7
171.11629	16.9
172.11989	3.1
172.75751	2.6
173.04420	11.2
173.13271	10.2
175.11177	2.6
175.14839	5.4
179.08519	7.5
180.09309	3.9
181.10149	13.6
182.10863	3.7
183.11690	18.0
185.09763	2.5
185.13264	12.7
187.14818	3.5
189.11157	3.4
189.12733	4.7
193.10083	8.9
195.11690	19.0
197.13203	11.3
199.14835	3.9
207.11716	8.5
207.13629	3.5
209.13281	11.1
211.14799	8.2
213.16353	4.3
219.11800	4.2
221.13242	10.5
223.11304	2.5
223.14812	9.6
225.16444	5.7
235.14845	3.3
237.16383	5.6
239.18019	3.9
241.19543	3.5
249.16344	3.4
251.17819	3.5
253.19568	3.3
257.18979	4.7
259.20673	3.5
263.17871	3.8
265.19666	5.0
273.18442	4.2
275.17471	2.5
275.20050	14.1
279.21069	3.9
281.17505	6.7
282.17795	4.7
291.19415	14.7
292.19901	8.9
349.23962	3.9
351.22641	2.2
363.26877	2.5
365.23303	4.1
367.22675	5.1
385.23984	2.7
444.27982	2.3
515.38452	8.3
571.36273	5.2
572.36609	25.6
589.42621	5.6
605.41858	3.1
607.43506	100.0
608.43634	4.8
649.45502	3.3
715.45947	2.9
733.46515	3.4
751.47076	5.0
769.48804	31.5
770.31775	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	769.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.9
55.05501	26.3
57.03426	11.6
57.07067	3.5
61.02913	21.3
65.03943	3.3
65.37899	2.2
67.05493	57.3
69.03413	19.6
69.07059	23.5
70.94656	4.4
70.94993	2.8
71.04967	5.6
73.02914	11.9
79.05479	45.5
81.03403	21.6
81.07041	52.0
83.04960	10.1
83.08598	12.6
85.02892	19.7
85.06534	3.6
91.03933	9.5
91.05459	45.7
93.07021	42.6
95.04949	10.6
95.08587	37.7
97.02871	20.6
97.06516	7.1
97.10137	6.9
99.04451	3.9
101.02364	2.6
103.03956	2.4
105.07009	37.8
107.04919	5.8
107.08576	25.7
109.02872	5.9
109.06505	4.9
109.10120	16.4
111.04427	2.1
111.08062	3.9
115.05431	4.3
117.06979	20.1
119.08559	28.6
121.06435	2.0
121.10134	12.3
123.08067	3.2
123.11728	3.5
125.09602	3.5
127.03924	5.4
128.06218	5.0
129.05533	2.6
129.06967	21.3
131.08551	25.8
133.10110	20.9
135.08061	5.0
135.11659	7.8
137.09619	2.7
141.06935	11.8
142.07735	2.5
143.08549	18.0
145.06480	2.6
145.10086	27.6
147.07993	3.5
147.11685	12.1
149.09590	5.2
149.13266	4.8
153.06960	3.3
154.07729	3.1
155.08501	16.0
157.10097	17.0
159.08052	3.3
159.11652	15.3
161.09543	2.7
161.13231	5.5
163.11183	3.9
165.06995	4.7
166.07704	2.9
167.08507	12.2
168.09352	4.3
169.10097	19.3
171.11668	17.2
173.04436	3.7
173.11784	2.4
173.13216	8.6
175.14749	3.2
177.12686	2.6
178.07832	3.3
179.08575	6.3
180.09273	4.0
181.10051	14.7
182.46370	1.9
183.11641	15.2
185.13246	8.7
187.14832	3.4
192.09294	2.7
193.10095	9.8
195.08154	2.0
195.11644	14.8
197.13229	12.5
199.13159	2.9
199.14816	8.5
205.10080	3.8
207.11729	9.9
207.13611	2.5
209.13243	11.5
211.14828	8.6
213.16321	3.7
219.11728	2.4
221.13181	6.5
223.14752	6.1
225.16354	4.4
227.17873	3.0
233.13344	4.8
235.14854	6.2
237.16388	3.9
238.46300	2.2
239.18030	3.6
247.14716	2.8
249.16354	3.4
251.17912	3.9
275.20172	13.0
281.17386	3.3
283.20355	2.8
313.21652	2.3
347.23465	2.9
349.23828	4.4
367.22455	3.0
373.24463	2.3
377.28687	2.1
391.29752	2.6
439.89465	2.2
447.32272	2.1
499.34195	2.7
515.38519	4.1
533.39844	2.5
537.35999	3.4
538.35541	2.4
541.35181	4.7
555.36780	4.8
589.42023	7.7
607.43414	100.0
608.43835	6.0
619.43384	3.1
625.43842	2.7
733.45996	3.1
751.47192	5.5
769.48700	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.6
55.05505	29.8
57.03426	18.4
57.31850	2.4
59.83534	2.0
61.02911	8.2
65.03944	2.4
67.05492	77.9
69.03416	8.3
69.07053	26.7
69.43423	16.1
69.43852	9.3
70.06561	3.3
71.04966	4.5
73.02878	4.2
76.12719	2.5
77.03909	3.5
79.05480	100.0
81.03429	14.5
81.07043	77.0
82.07386	2.4
83.04973	17.0
83.08592	16.6
85.02885	7.2
85.06533	4.6
91.03944	3.0
91.05466	90.8
91.25041	2.5
93.07029	92.2
94.07352	2.9
95.04957	24.2
95.08591	44.8
97.02874	7.0
97.06503	12.7
97.10146	7.2
98.20723	5.6
99.04485	2.6
103.05529	2.9
105.07009	64.6
106.07322	2.5
107.04907	12.0
107.07894	4.3
107.08572	39.9
107.23054	2.4
109.02837	2.9
109.06507	10.7
109.10113	12.0
111.08060	3.1
115.05427	3.1
117.06996	25.5
119.08562	52.4
121.06501	2.8
121.10113	18.2
123.08050	8.0
123.11660	3.7
125.09590	5.0
127.03907	5.2
128.06198	4.3
129.06987	26.6
130.07712	2.7
131.08556	31.8
133.10095	28.2
135.08095	5.7
135.11705	13.3
141.06973	5.9
143.08549	22.5
145.10092	39.1
147.08015	4.1
147.11655	40.1
149.09625	9.4
149.13248	4.5
151.07462	3.3
155.08525	9.2
157.10136	15.8
159.11658	27.7
161.09633	6.1
161.13246	15.8
163.11142	8.8
167.08514	5.4
169.10077	16.8
171.11668	35.6
172.12083	2.7
173.09622	3.0
173.13239	11.6
175.11166	5.9
177.12758	5.4
181.10056	3.9
183.11674	9.3
185.13234	15.3
189.11201	3.6
189.12801	10.5
193.10155	3.2
195.11697	4.1
197.13255	5.6
203.14241	4.8
207.11821	4.8
207.13733	25.9
211.14801	4.6
219.17375	4.8
219.66679	2.7
227.12735	10.5
239.17981	9.1
245.04855	2.4
257.18954	27.1
259.20642	3.5
267.15863	4.6
269.17459	7.1
275.20047	42.2
276.20227	3.1
279.15961	5.2
281.17416	67.9
283.15121	3.9
291.19388	3.2
293.21210	4.8
314.61978	2.5
331.22635	12.1
333.12897	2.9
349.23761	22.6
445.30334	4.3
451.27032	4.3
461.28506	13.3
475.30380	32.1
485.09341	2.7
515.33514	3.4
537.35626	7.4
541.35303	3.8
555.36780	64.7
556.37274	4.4
573.37280	3.3
608.43817	23.6
770.48572	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	770.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.5
55.05502	21.6
57.03430	11.5
58.23804	2.9
61.02923	4.1
65.03912	4.1
67.05489	65.5
69.03407	8.1
69.07055	21.0
71.69054	4.6
73.06540	3.0
79.05472	67.9
81.03392	16.0
81.07036	100.0
82.07413	4.7
83.04958	12.4
83.08572	16.4
85.02887	6.5
91.05461	60.8
93.07027	59.8
94.07356	4.1
95.04939	21.4
95.08586	39.7
97.02899	4.0
97.06515	12.0
97.10140	5.2
105.07008	57.8
107.04943	12.6
107.08552	17.2
109.06509	22.1
109.10141	14.7
111.08070	3.9
115.05383	3.2
117.06974	16.6
119.08552	45.9
121.06504	5.6
121.10095	14.2
123.08041	8.8
123.11706	6.1
124.48798	2.8
125.09606	3.0
128.06195	4.3
129.06996	15.9
131.08516	16.0
133.10103	26.9
135.08076	3.2
135.11691	9.2
139.11247	3.3
143.08554	11.5
145.10103	22.1
147.08023	5.4
147.11665	33.5
149.09576	5.2
149.13237	5.5
155.08516	4.9
155.96640	3.1
157.10104	6.8
159.11691	9.5
161.09602	7.9
161.13245	9.0
165.12836	4.2
169.10114	6.9
171.11646	16.8
173.13263	8.1
177.12715	4.8
181.09985	3.7
183.11693	6.5
184.07219	4.4
185.13194	5.6
187.14777	3.4
187.68727	3.0
189.12721	6.1
207.13823	9.8
223.13214	5.6
225.82051	3.1
229.14331	4.3
241.19427	4.3
259.20514	10.5
275.20059	40.6
281.17404	61.0
282.17587	3.9
293.21066	4.2
297.17035	8.7
333.24222	4.7
349.23688	20.5
367.24704	13.1
475.30728	3.8
537.35742	5.2
555.36700	96.4
556.36926	7.7
560.55762	3.7
573.37823	52.5
608.43854	14.6
770.48413	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	770.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.1
55.05503	15.7
57.03427	7.5
57.07051	1.2
57.53240	1.0
60.01489	0.9
65.03934	2.6
67.05495	49.8
69.03413	4.1
69.07061	19.5
71.04980	3.8
73.06539	1.4
74.65435	0.9
77.03908	1.5
79.05484	56.3
81.03407	9.9
81.07043	54.9
83.04963	12.4
83.08614	7.5
85.02884	2.4
85.06527	2.3
91.05463	45.2
93.07028	55.0
95.04392	1.4
95.04955	15.9
95.08594	23.4
96.08913	0.9
97.02882	2.2
97.06512	11.0
97.10156	3.5
99.08091	1.4
103.05412	1.2
105.04500	2.1
105.07018	36.6
107.04955	7.4
107.08568	24.2
109.02853	2.0
109.06485	5.4
109.10135	5.6
111.08038	2.6
112.43154	1.0
115.05318	1.1
117.06993	11.8
119.08566	22.5
121.06483	3.4
121.10116	10.0
123.08038	3.8
123.11641	1.9
125.09647	1.5
127.03934	1.6
128.06161	1.7
129.07005	11.8
131.08531	8.6
133.06543	1.2
133.10112	12.2
135.07983	1.5
135.11668	7.5
137.09669	1.5
141.06987	1.2
143.08545	6.5
145.06374	1.2
145.10081	11.1
147.08008	1.9
147.11665	25.4
149.09593	4.6
149.13232	7.6
151.11127	1.3
159.11668	7.6
161.09569	3.1
161.13217	7.7
163.11142	4.6
169.10161	1.6
171.10207	1.5
171.11639	14.5
171.13040	1.1
173.04401	1.6
173.13278	1.6
177.12714	2.9
179.14328	1.5
187.11081	1.2
189.12688	5.8
195.13734	2.0
207.13759	18.2
225.14772	1.4
227.12654	1.7
229.19514	1.3
239.18105	1.2
253.14313	1.8
255.15810	4.7
257.18942	4.2
267.15994	1.0
269.17447	15.2
270.17651	1.3
275.20059	14.2
276.20294	1.1
281.17432	44.9
282.17889	1.6
331.22757	1.7
349.23706	9.6
367.24750	2.2
457.28949	1.8
461.28970	21.2
462.29150	1.5
475.30511	100.0
476.30960	6.4
479.56766	1.1
555.36749	20.5
573.38135	5.9
619.34406	2.8
630.60706	1.0
717.42297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.3
55.05501	25.8
57.03428	9.2
57.07058	1.5
62.03945	1.2
65.03924	4.5
65.84620	1.2
67.05491	64.4
69.03416	4.0
69.07056	26.5
71.04975	5.3
73.06518	1.6
75.01435	1.4
77.03897	1.7
79.05477	86.9
81.03400	15.9
81.07040	66.7
83.04969	16.8
83.08605	9.7
85.02879	3.9
85.06540	4.2
91.05460	65.6
92.05798	1.8
93.07024	75.9
95.04948	22.5
95.08586	39.2
97.02867	4.2
97.06510	19.1
97.10137	8.5
99.08073	2.7
103.05502	1.4
105.07008	55.8
105.07718	2.8
107.04937	13.0
107.08569	39.7
109.02833	1.5
109.06480	8.5
109.10136	10.9
111.08049	4.8
115.05434	2.3
117.06995	17.0
119.08556	33.9
121.06500	3.9
121.10117	13.0
123.08076	7.2
123.11699	3.4
125.09623	7.5
127.03858	2.5
127.07545	1.5
128.06168	2.1
129.06987	15.6
131.08533	14.4
133.06476	2.2
133.10101	22.0
135.08026	3.0
135.11659	10.7
137.09576	2.3
141.06972	2.2
143.08525	10.7
145.06514	1.8
145.10107	21.0
147.08066	3.2
147.11656	39.3
148.11986	1.7
149.09587	13.0
149.13240	6.4
151.11125	1.9
155.08502	2.6
156.09328	1.8
157.10101	4.5
159.11662	10.6
161.09592	4.1
161.13246	12.7
163.11171	8.2
169.10207	2.4
171.11646	26.0
171.13052	1.8
173.04411	2.5
173.13220	3.7
177.12730	3.4
179.14320	2.5
183.11678	3.0
185.13187	1.6
189.11134	3.3
189.12729	9.7
195.13814	2.8
199.10991	1.4
207.13773	31.1
217.16064	1.7
225.14812	3.6
227.12709	16.3
229.14220	1.4
229.19496	3.0
230.03889	1.6
239.17920	3.7
247.20415	1.7
251.16338	2.2
255.15880	5.1
257.19025	11.2
258.19461	1.5
269.17438	16.1
275.20038	41.4
275.23041	2.3
281.17410	85.4
282.17810	4.1
293.21121	4.6
331.22629	2.0
349.23621	23.7
350.24036	2.0
367.24829	2.7
368.94299	1.2
371.16922	1.8
377.23114	2.8
413.21982	1.6
435.27258	4.5
444.52756	1.4
445.30527	1.5
451.26791	3.9
461.28906	28.7
464.32339	1.3
466.01074	1.3
475.30457	100.0
476.30988	8.1
515.33569	3.9
527.37366	1.5
537.35455	3.5
555.36713	53.8
556.36951	6.5
573.38007	6.4
595.30219	2.2
619.34039	3.1
759.04974	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2324
Annotation	Isorhamnetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)glucoside
Peak:m/z	Relative Intensity
55.01852	0.3
55.05489	0.5
57.03421	2.1
61.02898	0.4
65.03921	0.2
65.35318	0.1
67.05489	0.2
68.99764	0.1
69.03410	1.7
70.06557	0.4
71.01323	0.2
71.04977	11.8
71.70078	0.2
73.02902	1.2
75.04455	0.8
81.03386	0.6
83.04964	3.2
84.08107	0.2
85.02886	16.7
87.04440	0.6
91.03924	0.2
92.02596	0.4
93.03368	0.7
95.04939	0.7
96.49152	0.1
97.02877	1.1
97.06448	0.3
98.14185	0.1
99.04429	0.7
101.06013	0.2
103.03927	0.2
109.02834	0.4
111.00760	0.2
111.04426	2.5
113.05974	0.2
117.05452	0.6
121.02859	0.7
121.06518	0.2
123.04398	0.2
126.03091	0.3
127.03925	0.8
129.05447	4.4
135.04306	0.3
137.02293	0.2
137.05864	0.2
139.03928	0.4
143.06903	0.2
145.04901	0.3
147.06480	1.4
148.74805	0.1
151.03888	0.8
153.01785	4.6
153.05434	0.8
157.04936	0.2
163.03912	0.3
163.05989	0.6
165.01770	0.5
167.07016	0.2
171.06514	0.2
177.05475	0.4
187.91719	0.2
201.05472	0.3
201.07381	0.2
203.03557	0.2
213.07556	0.2
217.04823	0.4
218.05669	0.3
219.02992	0.2
228.04150	0.8
229.04906	1.6
231.02896	0.4
239.09082	1.0
245.04414	0.6
246.05228	1.3
257.04434	1.6
260.03110	0.2
261.07559	0.3
273.03937	1.2
274.04666	3.2
275.11115	0.4
284.03186	0.4
285.03864	2.0
287.01822	0.1
287.05426	0.2
299.05249	0.2
302.04160	10.4
303.04742	0.4
315.04712	0.2
316.05704	0.2
317.06488	100.0
318.06900	2.0
329.06393	0.9
341.06317	0.3
346.06772	0.5
359.07526	1.9
361.09122	1.1
383.07410	0.3
409.09338	0.3
418.20612	0.2
427.10156	0.7
445.11224	0.4
461.10007	0.3
463.12143	1.1
479.11847	1.2
588.07654	0.2
590.83209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2328
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.01854	0.5
55.05491	0.8
57.03428	2.8
59.04981	0.4
60.01665	0.2
61.02893	0.5
67.05457	0.2
69.03414	2.1
69.35178	1.7
69.35602	0.4
70.27767	0.2
70.88541	0.2
71.01332	0.4
71.04981	14.7
72.05299	0.2
73.02907	1.3
75.04465	0.9
81.03406	1.0
83.04965	4.3
85.02889	21.5
86.09779	0.2
87.04453	0.6
92.02602	0.8
93.03387	0.5
93.18994	0.2
95.04923	0.5
97.02880	1.5
97.06506	0.2
99.04451	1.2
101.06001	0.2
103.03979	0.2
109.02863	0.8
111.04430	2.5
113.05961	0.3
117.05471	0.7
118.97598	0.2
121.02858	0.7
121.06530	0.2
123.04401	0.3
126.03155	0.2
127.03915	0.9
129.05463	5.1
137.02367	0.2
139.03845	0.9
141.05447	0.2
145.04955	1.0
147.04379	0.2
147.06477	1.8
151.03883	1.0
153.00638	0.3
153.01808	4.8
153.05402	0.6
159.06566	0.2
161.05884	0.2
163.03946	0.2
163.05994	0.9
165.01781	0.7
171.06473	0.4
176.56706	0.2
177.05428	0.2
183.06563	0.2
201.05460	0.5
201.07545	0.4
203.03362	0.2
203.61542	0.2
217.04921	0.5
218.05739	0.3
219.02916	0.2
228.04153	0.9
229.04906	2.7
231.02884	0.4
239.09067	1.1
245.04422	0.6
246.05194	1.4
257.04446	2.1
257.10086	0.2
260.02985	0.3
271.05945	0.2
273.03796	1.2
274.04694	3.8
275.11096	0.3
284.02960	0.4
285.03906	3.6
286.04465	0.2
301.03262	0.2
302.04147	10.1
303.04886	1.5
305.81369	0.2
314.04120	0.2
317.06503	100.0
318.06870	2.9
329.03015	0.3
329.06512	0.8
341.06656	0.3
359.07599	1.7
379.09900	0.4
383.07489	0.3
415.13214	0.4
427.10059	0.3
445.11041	0.4
463.12384	1.3
465.10367	0.2
479.11871	1.2
486.46631	0.2
788.57391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	10.1
55.05502	36.6
57.03430	19.5
57.07062	2.4
61.02913	12.7
65.03933	5.4
65.39577	2.2
67.05492	100.0
69.03417	20.2
69.07055	31.1
69.88692	12.8
71.01334	3.0
71.04990	10.7
73.02907	4.0
77.03907	4.1
79.05481	82.4
81.03405	22.9
81.07042	95.4
82.07348	2.1
83.04964	8.7
83.08606	13.9
85.02879	16.4
85.06517	5.0
91.03924	3.7
91.05464	88.4
92.43295	2.1
93.07028	97.3
95.04954	18.3
95.08593	73.0
95.37881	2.1
97.02888	18.0
97.06512	10.5
97.10151	5.0
99.04439	4.1
99.08076	4.1
101.02341	3.0
103.05455	5.6
105.07008	70.0
107.04977	4.5
107.08578	42.7
107.68476	2.0
109.02866	6.7
109.06490	10.7
109.10133	28.1
111.04427	3.1
111.08041	5.7
115.05453	3.9
116.06251	3.0
117.06990	45.1
119.08556	54.3
121.06446	3.1
121.10114	28.9
123.08038	7.1
123.11689	6.4
124.89591	2.0
125.09595	4.2
127.03918	6.3
128.06209	7.8
129.05476	4.1
129.06987	22.2
130.07750	4.1
131.08543	53.9
133.06525	4.5
133.10104	36.9
135.08028	7.6
135.11662	21.3
137.05951	3.5
137.09579	8.0
141.06953	8.3
142.07784	4.0
143.08556	25.9
144.09312	2.6
145.06473	4.7
145.10098	51.6
147.07999	6.3
147.11656	24.7
149.09586	9.2
149.13229	7.3
154.07744	3.6
155.08525	16.8
156.09218	2.6
157.10127	27.1
159.08060	5.0
159.11674	45.7
161.09596	6.2
161.13211	17.0
163.11174	5.0
163.14825	2.5
167.08516	4.5
169.10083	16.2
171.08064	3.1
171.11647	18.7
173.09634	3.5
173.13222	24.9
175.11131	5.5
175.14844	4.8
181.10007	4.3
183.11641	18.6
185.09650	3.4
185.13211	10.6
187.11221	3.5
187.14841	10.1
193.10074	2.6
195.11671	6.9
197.13258	11.2
199.14824	6.0
201.12636	3.7
201.16423	6.0
207.11653	2.5
209.13362	2.5
211.11159	2.0
211.14812	5.7
213.12622	3.2
213.16385	4.9
215.14294	2.3
215.18007	2.7
225.16440	2.9
227.14241	2.2
229.19466	9.6
239.17929	17.7
241.19553	3.2
243.20988	2.9
257.18951	36.8
259.20517	6.3
261.22101	4.6
275.20041	25.9
299.19989	3.4
313.21506	4.0
317.24622	2.6
323.20212	2.8
329.21082	2.6
331.22427	6.2
333.24240	4.8
335.25748	51.9
349.23730	10.2
401.23254	3.0
493.27527	3.7
517.40564	2.8
593.58197	2.6
609.45044	59.8
610.45404	3.1
651.45612	4.1
735.46387	2.7
753.48889	5.9
771.49780	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	771.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.7
55.05418	10.0
55.05716	1.9
57.03342	4.5
57.03643	0.8
57.06978	1.8
59.04922	0.5
61.02826	14.0
61.03174	2.0
65.03845	1.3
67.05399	17.6
67.05797	2.2
69.03323	8.0
69.03729	1.0
69.06962	7.4
69.07369	0.9
70.82127	0.8
71.01270	0.9
71.04893	1.1
71.05246	0.4
73.02807	8.4
73.03256	1.0
77.03838	0.4
77.61953	0.3
79.05380	14.6
79.05870	1.2
81.03300	2.9
81.06938	17.5
81.07469	1.6
83.04861	1.4
83.08499	5.0
85.02788	11.8
85.03332	0.7
85.06449	0.7
87.04369	0.9
91.03831	6.8
91.05358	12.4
91.05962	1.1
93.06916	13.3
94.35975	0.4
95.04831	1.9
95.08482	17.2
95.09125	1.1
97.02762	10.7
97.06396	2.1
97.10142	2.9
99.04373	0.7
99.07968	0.5
101.02243	2.3
103.05377	0.6
105.07011	12.2
105.07643	0.8
107.04849	0.6
107.08577	9.5
109.02751	1.2
109.06366	1.5
109.10144	7.6
111.07996	0.8
115.03837	0.9
115.05318	1.4
116.06104	0.5
117.07004	8.2
119.08556	11.6
121.10115	5.5
122.29816	0.4
123.07899	1.3
123.11568	1.4
125.09475	1.1
127.03919	2.6
128.06206	2.7
129.06981	9.9
129.07851	0.6
130.07700	0.8
131.08546	10.9
133.10094	9.0
135.07901	1.2
135.11652	4.0
137.09448	0.5
139.07367	0.6
139.11137	0.6
141.06972	5.0
142.07732	2.5
143.08530	11.5
144.09222	0.5
145.04831	1.0
145.10091	11.9
147.07950	0.6
147.11673	4.8
149.09496	0.9
149.13232	1.9
153.06834	1.4
154.07597	1.6
155.08522	9.1
156.09135	1.7
157.10098	12.1
158.10564	0.5
159.07890	0.4
159.11653	8.3
161.13205	3.2
162.16513	0.4
163.14676	0.8
165.06839	1.6
165.08896	0.6
166.07608	0.6
167.08514	4.8
168.09184	1.3
169.10104	11.0
170.10611	0.9
171.11649	9.7
172.12053	0.4
173.13223	5.5
174.22057	0.4
175.14766	2.0
177.16194	0.6
179.08514	2.3
180.09193	1.1
181.08649	0.5
181.10081	6.7
182.10695	1.5
183.11664	12.7
184.12218	0.7
185.13216	7.8
187.10965	0.5
187.14806	3.2
189.12688	0.6
189.16228	1.3
191.14172	0.5
193.10074	3.1
194.10750	0.9
195.10068	0.6
195.11664	7.7
196.12422	0.9
197.13228	9.1
198.13609	0.4
199.14806	4.7
201.16226	1.5
201.92258	0.4
203.14195	0.4
203.17839	0.7
205.09966	0.8
206.10870	0.6
207.11665	3.3
208.12355	0.8
209.13214	7.1
211.14807	6.2
213.16394	3.3
215.17831	0.9
219.11673	0.9
221.13239	3.4
222.13734	0.5
223.14789	4.5
224.15434	0.7
225.16327	4.3
227.18071	2.5
229.19370	0.7
233.13075	1.4
235.14679	2.6
237.16299	4.0
239.18059	2.2
241.19539	1.1
247.14716	0.9
249.16257	1.6
251.17923	1.9
253.19646	1.9
255.21149	0.4
257.18945	0.5
259.14752	0.4
263.17752	1.3
265.19299	1.3
267.21051	1.0
277.19254	0.7
279.20889	0.8
281.18723	0.6
281.22275	0.5
283.20343	0.4
291.20862	0.6
295.20337	0.7
297.18491	0.5
297.21930	1.1
309.21933	1.0
311.23639	0.9
313.21683	0.6
321.21988	1.0
323.23502	1.4
325.25131	0.6
327.22937	0.8
335.23288	0.6
337.25140	1.4
339.26682	1.0
341.24597	0.8
349.24979	1.3
351.22836	0.5
351.26642	1.4
355.26321	0.5
363.26801	1.1
365.24512	0.8
365.28424	1.0
367.26157	0.6
369.27740	0.8
375.26740	0.9
377.28314	0.8
379.29929	0.9
381.27719	0.6
391.29910	0.7
405.31708	0.6
409.30765	0.4
417.31665	0.5
421.30569	0.9
429.31415	0.8
433.30746	0.7
447.32562	1.7
461.33630	0.6
473.32431	0.6
475.35071	0.5
499.39462	1.1
501.35535	1.1
511.34091	0.7
513.35773	0.8
515.37848	1.1
517.40460	6.6
518.40021	0.5
523.38086	0.5
525.35553	1.1
527.37610	0.8
535.41498	3.1
539.37457	2.1
540.37976	0.7
541.38702	0.9
546.02948	0.5
553.39789	1.2
555.41754	0.5
565.42719	0.7
567.40637	0.4
573.43042	0.6
584.92242	0.5
591.44287	5.7
607.43445	2.4
609.45032	100.0
610.45386	6.2
611.45923	0.9
621.45074	1.3
633.45258	0.7
642.17584	0.5
651.45789	0.6
717.47015	0.9
735.48395	1.0
753.49585	1.7
756.45496	0.4
771.50299	16.8
772.50647	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05503	11.7
57.03428	6.1
57.07061	2.5
61.02914	14.2
65.03921	2.0
67.05497	27.3
68.05851	0.9
69.03413	9.4
69.07062	12.5
70.07391	1.3
71.04967	3.1
71.08560	1.3
73.02901	8.5
76.02918	1.0
79.05476	19.4
80.05818	1.4
81.03405	6.6
81.07043	26.3
82.07359	1.5
83.04960	2.5
83.08601	6.2
85.02885	13.8
85.06516	1.7
87.04458	1.1
91.03934	6.0
91.05473	17.0
93.07030	18.8
94.07343	1.3
95.04952	4.3
95.08594	24.3
97.02877	13.5
97.06519	2.5
97.10152	2.4
98.20814	4.6
98.21497	1.7
99.04464	1.4
99.08077	1.0
101.02360	2.3
103.05489	1.5
105.07007	17.5
107.04915	2.1
107.08579	13.7
108.08868	1.1
109.06487	2.3
109.10114	7.1
111.49355	1.0
115.05409	1.9
117.06991	9.1
119.08563	14.2
121.10137	8.7
123.08047	1.9
123.11711	2.1
125.09576	1.9
127.03876	1.9
128.06192	3.1
129.06990	9.7
131.08553	13.7
132.08910	1.1
133.10110	9.9
135.08023	2.6
135.11638	5.1
137.13184	1.1
138.69203	1.0
141.06969	5.8
142.07710	3.6
143.08536	13.2
145.10088	12.1
147.11673	5.9
149.02292	1.5
149.09544	1.2
149.13225	2.5
150.91545	0.9
154.07721	1.7
155.08533	10.4
156.09280	1.4
157.10101	11.4
159.11673	9.3
161.13228	4.3
163.14790	1.4
165.07034	1.0
166.07741	1.4
167.08560	3.4
168.09369	1.1
169.10123	11.2
170.10747	1.3
171.11678	10.9
172.12071	1.2
173.13252	4.0
175.14809	1.5
179.08521	3.0
180.09265	1.4
181.10123	7.6
182.10677	1.4
183.11674	11.9
184.12212	1.7
185.13210	7.6
187.14738	3.7
193.10141	4.2
194.10867	1.5
195.11681	8.1
196.12328	1.6
197.13280	9.1
199.14786	4.6
201.16306	1.9
207.11664	3.4
208.12320	1.0
209.13202	7.1
211.14819	4.8
213.16357	2.8
221.13210	2.2
223.14742	4.4
224.15414	1.4
225.12935	1.1
225.16367	4.7
227.17946	2.8
233.13245	1.3
235.14746	3.2
236.15445	1.1
237.16367	4.1
239.17918	3.1
241.19579	1.4
249.16426	1.3
251.17932	1.9
263.18036	1.2
309.22232	1.8
335.25763	1.3
349.25253	1.5
351.26895	1.3
453.32800	1.1
499.39111	1.3
501.35956	1.2
517.40521	6.4
527.36694	1.5
535.40826	3.8
539.37012	2.5
541.37891	1.8
545.38556	1.6
573.42700	1.3
591.44128	7.4
607.43011	3.3
608.44092	2.3
609.45007	100.0
610.45239	4.9
703.27240	1.5
717.47754	1.5
735.48114	1.4
771.50000	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.8
55.05235	1.5
55.05500	29.2
57.03164	1.0
57.03431	12.6
57.28066	0.9
58.06590	1.9
59.04975	1.9
59.94396	0.9
61.02909	2.8
63.79527	0.9
64.93654	1.2
65.03925	2.8
67.05135	2.1
67.05493	42.5
69.03423	11.3
69.06689	1.5
69.07054	29.1
70.03798	5.9
71.01328	1.4
71.04973	6.1
73.02902	1.5
79.05018	2.0
79.05479	39.5
81.03403	48.9
81.07045	44.3
83.04966	15.4
83.08604	22.6
85.02890	20.2
85.06539	1.8
86.06087	1.1
91.05464	41.6
93.07027	29.0
95.04952	24.6
95.08582	18.5
97.02868	9.9
97.06526	6.6
97.10146	15.3
98.21214	2.0
99.08057	2.4
103.05444	1.5
105.07011	28.4
107.04939	11.2
107.08567	18.2
109.06506	7.4
109.10146	9.8
111.04424	3.1
111.08058	7.9
113.05984	2.4
115.05423	2.2
117.06992	8.9
119.04912	2.0
119.08559	22.7
121.06470	4.2
121.10131	13.8
123.04411	1.3
123.08024	5.3
123.11637	1.5
125.09621	10.2
128.06226	1.6
129.06979	9.4
130.07771	1.2
131.08542	14.0
133.06473	5.4
133.10103	12.9
135.08017	4.8
135.11676	2.8
137.05858	1.1
137.09569	3.0
142.07758	2.2
143.08504	3.6
145.06419	1.3
145.10092	8.2
147.08034	9.2
147.11670	13.8
149.09628	6.8
149.13234	2.8
151.11131	1.7
152.23808	1.1
153.09019	1.7
155.08531	1.3
157.10083	14.1
159.08073	1.5
159.11687	3.4
161.09575	2.5
163.11128	3.7
165.09026	1.3
165.12712	3.9
167.08589	0.9
171.11696	1.4
175.11133	10.8
177.12686	1.8
183.11757	1.0
189.11200	5.2
189.12726	1.1
193.12206	31.4
194.12556	1.8
195.13680	1.8
205.12186	2.2
209.11598	1.0
211.13258	44.8
212.13548	1.8
219.13647	2.1
223.13277	19.8
227.12782	8.7
245.18947	2.3
249.14804	4.8
252.73918	1.0
253.14345	1.3
261.14862	1.3
267.15878	29.8
269.17487	2.5
273.18436	12.6
275.19952	1.9
283.15408	3.5
285.16901	43.5
286.17603	1.2
291.19485	100.0
292.19833	1.8
347.21951	1.8
349.23819	1.7
365.23151	42.7
366.23352	2.0
455.25992	1.0
477.28250	4.6
495.29532	1.7
539.33551	1.4
557.34631	28.5
558.34302	1.2
575.35699	53.3
576.35754	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	772.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.3
55.05502	19.4
55.21339	1.3
57.03436	8.1
57.07032	1.5
61.02897	3.1
65.03930	2.4
67.05491	42.5
69.03420	5.0
69.07053	22.6
69.77644	1.3
70.04482	3.0
70.04906	5.3
71.04974	4.1
78.82309	1.3
79.05482	45.6
81.03413	8.1
81.07040	38.7
83.04952	6.8
83.08607	13.9
85.02888	3.3
85.06541	2.4
91.04916	2.4
91.05463	31.0
91.06030	1.5
93.07026	58.1
95.04953	11.9
95.08591	45.6
95.09196	2.7
97.02870	4.4
97.06509	11.9
97.10157	6.1
99.04441	3.7
105.07014	26.9
107.04958	13.9
107.08577	41.2
109.02859	2.2
109.06483	6.3
109.10120	8.4
111.04437	2.8
111.08072	3.0
117.07002	17.4
119.08555	23.7
121.06461	9.5
121.10122	18.7
123.08066	2.5
123.11693	1.9
125.05974	3.4
125.09613	5.8
129.06978	4.3
130.07761	2.6
131.08545	10.8
133.10120	16.5
135.08051	5.9
135.11661	52.7
139.07535	2.9
143.08578	3.3
145.10098	33.6
147.08046	3.7
147.11647	6.8
149.09589	8.5
149.13263	6.2
151.11119	1.6
153.12773	1.7
155.08569	1.6
157.10106	2.6
159.11687	7.3
161.13199	1.9
163.11159	63.0
164.11417	1.6
171.11650	1.7
173.04385	1.6
173.09587	1.5
173.13167	2.5
175.11154	2.3
179.14285	2.3
181.12164	9.4
183.11729	1.4
184.07333	2.7
189.11143	2.9
223.13081	1.5
227.12741	100.0
228.13145	2.7
229.14201	1.4
239.17943	3.5
247.20532	1.8
253.14081	1.5
255.15871	4.3
257.18936	7.5
267.15948	4.1
267.87415	1.4
269.17419	15.1
273.18475	2.5
275.19995	27.1
283.15350	68.6
284.15762	2.2
285.16800	2.2
287.05603	2.0
291.19583	5.1
293.17606	1.5
293.20898	3.1
331.22702	3.2
347.22229	1.4
349.23666	34.6
365.23148	3.9
367.24640	1.5
437.25122	1.6
453.24588	4.5
461.28641	1.9
463.26813	12.9
477.28394	45.0
478.28793	3.2
493.27859	1.9
517.31610	2.1
539.34076	1.9
557.34644	51.4
558.34808	4.1
575.35748	8.4
615.54980	1.4
621.32440	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	773.212
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
57.03429	1.3
58.99571	0.3
61.02896	0.5
63.59680	0.2
64.23286	0.2
65.03923	0.2
68.90314	0.2
69.03431	1.5
70.06583	0.3
70.24892	0.8
70.25321	0.4
71.04978	8.8
71.82053	0.2
73.02885	0.4
75.04454	0.4
76.02209	2.1
79.05472	0.3
81.03392	2.1
83.04969	0.6
83.08594	0.5
84.04468	0.5
84.08125	0.5
85.02887	13.4
86.09673	0.3
91.05444	0.4
95.04948	0.9
97.02855	1.8
98.21365	0.3
99.04414	0.3
103.54881	0.2
105.07066	0.3
109.02845	1.0
111.00781	0.6
111.04414	0.7
116.01670	0.3
119.08658	0.3
121.02837	1.0
123.04356	0.4
127.03933	1.4
129.05453	2.5
130.04964	0.3
133.62262	0.2
137.02306	3.1
137.06017	0.3
139.03839	0.5
144.01170	0.3
145.04935	1.4
147.06512	0.8
151.03835	0.3
153.01816	2.7
162.02177	1.0
163.02621	0.3
163.03905	1.0
165.01752	2.2
179.04787	1.9
183.02812	0.5
193.12204	0.8
194.12570	0.4
201.05435	1.4
229.04927	3.3
247.06010	0.6
257.04401	2.3
259.11780	0.3
267.15732	0.3
268.16031	0.3
274.04633	0.9
285.03827	1.4
285.16956	0.4
286.17361	0.3
287.05438	7.5
301.03735	0.3
303.04929	100.0
304.05301	2.8
308.09033	2.4
309.09186	1.2
315.04984	0.4
324.29401	0.3
327.04785	0.3
345.05875	1.2
360.93735	0.3
369.06131	0.4
393.84729	0.3
413.08130	0.3
431.10080	0.4
449.10394	0.8
465.10184	22.5
466.10620	0.8
611.15802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2122
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.05480	0.3
57.03428	1.4
61.02907	0.5
68.99799	0.3
69.03415	1.4
70.93408	0.3
70.93766	0.4
71.04980	6.9
71.19559	0.2
73.02911	0.3
75.04440	0.5
76.02192	0.6
81.03401	1.3
83.04948	0.6
85.02891	13.0
87.04459	0.3
91.03938	0.3
95.04942	0.3
97.02870	1.5
99.04439	0.6
109.02853	0.6
111.00786	0.8
111.04409	0.4
121.02821	0.8
121.68732	0.2
123.04398	0.3
123.45341	0.2
127.03899	1.4
129.05458	2.6
132.59787	0.2
135.04430	0.2
137.02318	2.2
145.04958	1.3
147.06500	0.8
149.02327	0.3
153.01805	2.7
163.03867	0.6
165.01808	1.6
173.05998	0.2
179.04796	0.2
183.02878	0.8
193.12234	0.2
195.02826	0.4
201.05421	1.2
205.05089	0.2
213.05418	0.2
219.06425	0.3
228.04474	0.2
229.04941	3.3
247.06004	0.7
257.04413	2.1
258.04742	0.2
274.04706	0.8
275.05505	0.3
285.03995	1.1
287.05487	2.2
302.04199	0.2
303.04941	100.0
304.05289	2.3
308.09003	0.7
315.04831	0.5
327.04962	0.3
332.35510	0.2
345.06018	1.6
348.52759	0.2
355.99298	0.2
369.05835	0.4
413.08347	0.4
431.09073	0.2
449.10754	0.8
465.10217	23.8
466.10455	0.7
611.16083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2118
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
54.92984	0.1
55.01866	0.5
55.05505	0.4
57.03426	1.9
58.99570	0.1
61.02915	1.0
61.85026	0.1
64.66668	0.1
66.37135	0.1
67.05502	0.1
68.99796	0.5
69.03420	2.5
69.34645	0.5
69.35061	0.8
71.01350	0.2
71.04982	11.4
73.02895	0.7
75.04472	0.9
76.02226	0.9
81.03410	1.7
82.03707	0.1
83.04968	2.2
83.08609	0.2
84.04497	0.2
85.02892	23.4
86.03237	0.1
87.04463	0.5
91.03951	0.3
91.05486	0.2
93.03385	0.2
95.04964	0.5
97.02879	3.1
98.16419	0.1
98.21445	0.3
99.04458	0.7
101.05991	0.2
107.04939	0.2
109.02858	1.2
111.00787	0.8
111.04429	1.4
116.01681	0.2
121.02845	0.9
123.04406	0.4
127.03899	2.6
129.05461	6.2
130.05028	0.2
131.08553	0.2
135.04405	0.2
137.02316	3.0
139.03897	0.2
145.04929	2.4
147.04448	0.2
147.06506	2.2
149.02345	0.3
153.01791	2.9
155.04872	0.2
161.05930	0.2
162.02200	0.4
163.03909	0.6
163.06003	0.5
165.01805	1.7
166.02467	0.1
172.50435	0.1
173.05957	0.2
175.11197	0.1
177.03270	0.2
177.05492	0.1
179.04837	0.5
183.02863	0.7
183.04298	0.2
187.03880	0.3
191.03403	0.3
193.12219	0.3
194.12625	0.2
195.02852	0.3
201.05443	1.4
205.04958	0.2
211.04042	0.1
215.03333	0.1
219.06477	0.2
228.04219	0.2
229.04939	3.6
233.05885	0.2
237.07306	0.2
246.05354	0.2
247.05991	0.7
255.08595	0.5
257.04401	2.5
265.84351	0.1
265.88525	0.1
267.15924	0.1
273.09464	0.2
274.04733	0.7
275.05502	0.2
285.03952	1.2
287.05453	3.7
299.05615	0.2
301.45337	0.1
302.04108	0.2
303.04944	100.0
304.05283	3.0
308.09036	1.1
309.09250	0.5
315.04895	0.8
327.04926	0.2
345.06012	1.8
369.06070	0.5
411.06973	0.3
413.08493	0.2
447.09274	0.3
449.10855	0.7
465.10156	1.7
611.15961	0.2
627.16675	0.1
710.19238	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	773.2117
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01843	0.2
55.05489	0.2
57.03424	1.4
57.97375	0.1
61.02877	0.4
65.03919	0.2
68.99772	0.3
69.03417	1.2
71.01327	0.2
71.04980	9.7
71.68084	0.2
73.02887	0.3
75.04427	0.4
75.33898	0.1
81.03400	0.6
83.04978	0.8
85.02890	14.3
87.04404	0.4
93.03362	0.2
93.63609	0.1
94.85536	0.1
95.04928	0.3
95.59174	0.1
97.02879	1.3
99.04391	0.4
109.02839	0.6
111.00782	0.7
111.04392	0.6
121.02824	0.8
123.04401	0.3
127.03896	1.0
129.04565	0.2
129.05461	3.1
135.04382	0.2
137.02330	2.5
137.28343	0.1
139.03854	0.4
145.04878	0.3
146.68520	0.1
147.06479	0.7
149.02318	0.3
153.01787	2.3
163.03944	0.7
165.01810	1.6
166.02498	0.2
168.61533	0.1
173.05931	0.2
183.02855	0.7
183.04305	0.2
191.03380	0.2
195.02835	0.2
201.05418	0.8
203.03244	0.1
203.73935	0.1
215.03175	0.1
217.05038	0.1
219.06462	0.2
229.04933	3.1
239.03255	0.1
243.24971	0.2
246.05153	0.1
247.06061	0.7
257.02008	0.2
257.04428	2.3
259.66888	0.1
274.04660	0.6
275.05249	0.2
284.65900	0.1
285.03925	1.2
287.05490	1.4
303.04938	100.0
304.05240	2.9
315.04962	0.2
345.05948	0.6
369.05685	0.1
373.38000	0.2
431.09863	0.2
449.10580	0.3
465.10233	21.9
466.10812	0.6
710.41315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
55.05503	21.4
55.45735	1.2
57.03437	8.0
57.07053	4.2
59.89321	1.3
61.02916	11.8
65.03919	3.7
67.05495	57.1
69.03406	7.8
69.07061	19.2
71.04980	4.1
71.08625	1.3
73.02908	7.4
79.05019	3.0
79.05479	50.4
81.03400	5.1
81.07042	58.2
83.04960	4.4
83.08603	8.9
85.02883	11.5
85.06516	2.8
91.03931	5.7
91.05465	44.0
93.07027	53.1
95.04969	7.9
95.08001	2.8
95.08592	46.4
97.02880	11.1
97.06501	2.5
97.10159	5.0
98.20645	3.2
99.04446	1.9
99.08044	1.4
105.07014	40.5
107.04940	1.2
107.08572	26.3
107.09246	2.5
109.06495	3.5
109.10140	20.3
111.04427	1.7
111.08020	2.7
115.05453	3.1
117.07001	17.9
119.08566	37.5
121.10123	24.4
123.08058	2.4
123.11704	5.1
125.09558	2.1
127.03917	2.6
128.06230	2.9
129.06995	13.4
130.07687	1.3
131.08548	28.8
133.10109	26.8
134.10406	1.7
135.08008	2.5
135.11662	20.0
137.13260	2.2
139.11115	2.4
141.07014	2.5
142.07791	2.7
143.08543	15.9
145.06357	1.8
145.10107	23.3
147.11659	26.6
147.12729	2.3
149.09470	2.2
149.13216	8.7
155.08553	6.6
157.10109	15.9
159.08104	1.6
159.11670	22.2
161.13242	19.7
163.11201	2.0
163.14774	4.7
165.07091	2.1
167.08513	2.9
168.09267	1.7
169.10062	8.3
171.11668	13.7
173.13237	15.6
175.11081	2.0
175.14819	7.6
177.12709	2.6
181.10074	4.3
183.11670	5.7
184.07283	2.4
185.09564	1.4
185.13206	11.2
187.14764	7.4
189.16405	1.5
191.14197	1.6
195.11690	3.7
197.13205	5.4
199.14760	6.6
201.16411	3.2
209.13213	3.8
211.14684	3.1
213.13014	1.3
213.16348	4.6
215.17857	2.7
217.19382	1.8
223.14726	1.7
231.21101	3.3
237.16327	2.3
241.19513	16.8
243.21178	2.1
257.19089	6.5
259.20544	33.5
261.22119	7.7
275.20142	2.9
277.21802	2.3
287.23212	1.7
291.19473	2.6
297.21912	1.9
301.21597	3.6
307.20480	2.0
309.21750	1.6
315.23199	2.7
325.21469	1.9
325.25012	1.9
333.24158	24.0
333.28030	1.8
335.25757	51.1
336.26083	2.2
337.27631	1.8
339.23145	1.7
353.28406	1.6
367.22662	4.2
385.23782	2.5
403.24625	2.2
413.30814	1.6
449.34027	2.4
519.41986	4.1
529.38855	2.6
541.38745	3.3
593.45679	9.5
601.44196	1.6
609.44586	4.0
610.45007	1.7
611.46606	100.0
612.46881	7.1
623.46399	3.8
701.48120	2.0
719.48572	2.4
737.49762	2.8
755.50439	4.3
773.52264	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	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.4
55.05503	23.5
56.49747	2.4
57.03421	12.6
57.07058	5.2
61.02908	16.4
65.03932	3.2
67.05137	5.0
67.05494	89.5
67.65140	2.1
69.03422	14.6
69.06728	2.9
69.07059	26.7
69.89455	16.4
71.04976	4.3
72.93997	2.2
73.02901	8.2
79.05481	65.8
81.03397	10.5
81.07044	83.1
83.04958	4.7
83.08604	17.2
85.02895	14.2
85.06517	5.3
85.33509	2.2
91.03937	10.5
91.04921	4.2
91.05465	62.8
93.07031	84.3
94.07375	2.8
95.04962	13.0
95.08592	65.4
97.02886	13.7
97.06522	5.5
97.10139	4.5
98.21207	5.3
105.06333	4.1
105.07015	67.6
107.08577	45.6
109.06510	3.8
109.10145	27.9
109.93079	2.0
111.08074	3.0
117.06993	21.2
119.08566	58.4
121.06533	2.7
121.10132	33.7
123.11675	6.7
125.09540	2.8
127.03895	3.7
128.06161	3.2
129.06966	17.1
131.08542	41.4
131.30127	2.4
133.10118	38.9
135.07993	2.6
135.11679	25.3
137.09566	3.2
141.06920	4.6
142.07741	2.6
143.08549	23.9
145.10103	36.3
147.11652	40.2
149.13301	16.5
155.08496	8.4
157.10098	20.8
159.11671	31.8
161.09622	4.0
161.13246	29.0
163.14803	6.4
169.10104	8.2
171.11638	18.9
173.13225	21.2
175.14775	14.0
181.10091	5.7
181.98354	2.5
183.11641	9.0
185.13223	13.5
187.14761	8.7
189.12650	2.2
195.11687	5.6
197.13243	8.7
199.11244	2.9
199.14763	9.0
201.16362	2.3
207.11755	2.4
209.13252	2.9
211.14774	5.9
213.16357	4.7
215.17943	3.0
217.19591	2.7
223.14825	3.5
231.21002	3.6
241.19504	24.5
243.21059	3.6
257.18997	6.9
259.20535	43.2
261.22086	10.0
269.49908	2.4
271.51596	2.5
275.20032	5.1
277.21335	2.5
283.20679	2.6
301.21619	4.1
315.23053	3.5
333.24103	27.6
335.25778	71.2
336.26001	5.0
337.27280	3.8
367.22559	5.4
385.23666	3.4
501.35699	2.6
519.42010	5.5
584.58429	3.3
593.45258	8.3
609.44965	6.1
611.46600	100.0
612.46735	6.3
623.45929	2.6
701.46887	4.8
707.46033	2.7
737.49298	2.8
755.50488	4.5
773.51337	3.5
777.04620	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	774.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.4
55.05242	2.0
55.05502	37.7
57.03435	14.3
60.61629	1.6
60.65649	1.5
61.02888	3.7
65.03940	2.4
67.05491	51.5
69.03412	13.2
69.07054	18.2
71.04971	6.7
71.69340	2.5
71.69708	2.2
73.02903	2.0
78.33782	1.6
79.05029	3.4
79.05480	64.0
80.05804	2.1
81.03404	52.9
81.07044	50.8
83.04967	15.4
83.08103	2.2
83.08600	32.0
85.02890	18.8
85.06513	4.3
90.45228	1.7
91.05461	55.4
93.07033	41.4
95.04391	3.0
95.04946	27.1
95.08586	26.3
97.02873	5.5
97.06510	10.8
97.10153	38.6
98.20909	1.6
99.04409	3.0
99.08065	2.3
103.05432	1.9
105.07014	45.1
107.04937	13.5
107.08575	54.0
109.02838	3.2
109.06513	11.3
109.10160	13.1
111.04415	4.9
111.08041	11.0
113.05976	1.8
115.05459	2.8
117.06999	13.6
119.08568	34.7
121.06489	4.1
121.10115	19.4
123.08022	5.8
123.11643	3.4
125.09615	32.0
127.03883	3.0
128.06194	2.0
129.06973	15.3
131.08546	22.7
133.06419	2.5
133.10103	27.3
135.08040	7.1
135.11668	4.5
137.09581	4.2
142.07707	3.5
143.08543	5.4
145.10089	19.2
146.10500	1.8
147.07953	3.5
147.11652	23.9
149.09610	15.5
149.13205	3.6
151.11172	3.0
153.05481	1.7
153.09100	3.8
155.08545	2.9
157.10110	17.2
159.11621	11.9
161.13274	4.0
163.11165	5.4
165.12740	5.7
169.10115	4.3
171.10164	4.6
171.11598	3.9
173.09546	1.9
173.11765	2.3
173.13222	3.0
175.11151	14.8
177.12675	2.6
179.06680	1.7
179.14212	1.8
181.10149	1.6
181.12154	2.8
183.11658	4.4
184.07295	5.3
185.13216	2.5
189.11182	22.7
193.12219	48.5
194.12584	2.1
211.11226	3.7
211.13255	75.0
212.13519	2.2
227.06650	2.0
227.12746	76.2
229.14418	2.5
229.19543	2.4
239.17865	3.5
245.13824	5.9
246.49446	2.0
249.14745	2.3
253.19658	9.0
254.19862	5.4
257.18918	15.0
262.17990	2.0
267.15836	33.0
269.17392	4.5
275.20023	62.3
276.20425	3.7
285.16940	64.6
293.20929	4.1
315.23257	2.6
331.22556	7.0
349.19601	3.3
349.23700	62.4
389.17853	3.9
431.29144	3.0
437.25299	11.5
447.27655	2.0
449.31424	3.5
455.26239	15.9
461.29068	4.7
467.31439	2.7
479.29776	3.7
523.34308	4.0
529.59125	2.2
541.35120	41.3
559.36212	100.0
560.36694	6.6
577.37018	7.6
599.30219	2.9
774.48444	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	774.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.5
55.05269	3.7
55.05500	38.5
57.03205	2.4
57.03429	24.5
59.04945	3.4
61.02908	5.0
65.03902	3.8
67.05495	78.8
69.03413	19.0
69.07051	39.2
70.08553	14.5
71.04992	14.4
73.02898	3.4
73.58228	2.6
79.05476	90.3
80.05822	3.1
81.02942	5.9
81.03401	92.2
81.03876	4.8
81.07040	95.2
83.04964	31.0
83.08604	45.8
85.02885	38.4
85.06506	7.1
91.05464	93.5
91.06038	4.6
93.07025	65.7
95.04949	45.7
95.08593	42.1
95.22254	2.7
97.02859	11.0
97.06497	25.2
97.10150	18.7
98.21449	3.6
99.04441	4.1
99.08088	4.7
105.07009	71.6
107.04922	17.8
107.08574	50.4
109.06484	10.7
109.10135	20.1
111.04411	4.7
111.08075	16.0
113.05976	3.6
115.05406	5.9
116.06276	2.7
117.06989	18.4
119.08554	49.7
121.06493	6.8
121.10114	23.5
123.08045	8.2
123.11668	7.8
125.09576	12.7
127.03897	6.2
128.06163	3.6
129.06981	20.7
131.08540	34.8
133.06447	4.6
133.10100	38.2
135.08014	5.1
135.11665	14.8
137.09535	4.3
141.06952	4.4
142.07724	4.5
143.08560	5.6
145.10091	23.8
147.08002	5.4
147.11661	35.9
149.09604	27.5
149.13225	12.1
157.10088	22.9
159.11639	20.4
161.13258	5.2
163.11090	10.4
165.12666	7.8
167.08420	2.9
169.10158	4.2
171.11693	4.0
173.13234	10.8
175.11186	23.4
177.12653	6.7
179.14323	5.5
183.11801	4.3
185.13231	4.9
187.11102	2.7
189.11177	10.7
193.10533	5.9
193.12222	70.6
195.13770	6.1
211.13254	98.3
212.13571	7.9
227.12752	25.0
229.19554	5.2
239.17920	4.6
249.14717	3.7
255.15910	6.5
257.19009	11.8
267.15872	49.8
269.17380	26.9
275.20013	49.1
285.16904	100.0
293.21008	3.7
349.23669	49.8
350.24146	4.6
437.25107	4.5
439.26450	4.4
443.27890	3.3
447.27188	8.3
455.26187	7.5
461.28784	30.6
463.30597	5.3
465.28351	12.2
467.31149	2.8
479.30017	62.8
480.30008	8.3
501.31699	3.1
541.35144	25.7
559.36261	57.6
560.36700	4.5
577.36877	7.1
609.32446	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	774.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	8.0
55.05504	28.9
57.03431	24.1
61.02908	3.8
61.78027	2.6
65.03936	3.8
67.05495	79.7
69.03429	13.6
69.07057	28.0
69.48099	20.5
69.48507	5.6
71.04974	9.8
73.02896	4.6
79.05483	63.8
80.05809	2.7
81.03405	63.4
81.07043	100.0
82.07356	3.1
83.04970	19.4
83.08601	30.3
85.02893	20.7
85.06515	5.6
91.05469	62.0
92.00301	2.3
93.07032	68.3
94.07340	2.3
95.04952	36.2
95.08596	32.8
97.02856	6.8
97.06508	23.9
97.10136	13.3
99.04424	4.0
99.08061	4.3
100.87709	2.5
103.05465	3.8
105.07011	51.2
107.04930	15.4
107.08579	40.0
109.06519	13.3
109.10146	11.3
111.08070	13.9
113.05996	5.1
115.05466	3.7
117.06995	19.2
119.08575	38.0
121.06477	8.9
121.10126	27.3
123.08047	7.3
123.11667	5.6
125.09621	11.3
127.03944	2.6
129.06941	17.4
131.08560	25.6
133.10101	31.2
135.08014	7.8
135.11662	12.7
137.09637	4.5
141.06892	3.3
142.07739	5.5
143.08557	5.4
145.10091	12.7
147.08000	8.3
147.11670	19.2
149.09596	15.9
149.13219	13.8
157.10106	16.4
159.07990	3.3
159.11642	14.3
161.13141	4.5
163.11133	7.1
165.12758	4.0
169.10115	4.3
171.11665	3.9
175.11160	19.2
177.12712	4.5
183.11674	3.2
189.11201	4.6
193.10519	4.3
193.12230	36.7
195.13750	6.2
211.13264	49.5
212.13657	3.0
227.12714	9.8
255.15833	8.6
257.18976	6.2
267.15878	26.9
269.17462	47.5
273.18399	7.5
275.20047	22.1
285.16956	51.1
291.19559	6.2
318.98779	2.6
331.22647	2.8
347.21994	3.7
349.23581	21.5
365.23495	2.9
367.25116	2.8
439.26837	4.9
447.27249	6.7
449.29385	2.8
461.28848	31.3
462.28979	3.3
463.31030	5.6
465.28403	13.0
479.29984	52.5
480.30557	4.6
489.91946	2.8
541.35162	13.3
559.36133	26.5
577.37073	8.8
741.56439	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	774.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05499	23.0
57.03428	20.2
57.07059	3.8
65.03923	3.3
67.05495	68.0
69.03415	3.7
69.07058	17.7
70.82027	2.9
70.82391	3.5
71.04979	4.5
73.70303	1.5
79.05479	49.7
81.03405	100.0
81.07043	63.3
83.04957	6.8
83.08604	21.9
85.02885	2.5
85.06544	3.4
86.09672	1.4
91.03931	1.5
91.04919	3.0
91.05463	36.5
93.06441	3.0
93.07023	50.5
95.04394	2.7
95.04955	29.9
95.08003	2.8
95.08595	49.0
97.02899	2.9
97.06517	4.9
97.10139	9.7
98.20999	1.7
105.07025	26.9
107.04948	8.8
107.08574	27.7
109.06494	6.1
109.10137	22.8
111.08061	7.9
117.07011	8.4
119.08549	25.7
121.06488	4.7
121.10126	25.8
123.04393	2.2
123.08012	3.9
123.11676	8.5
125.09611	5.5
129.07002	13.3
131.08537	20.9
133.06483	2.3
133.10123	16.1
135.08014	2.7
135.11682	13.6
137.09604	2.9
137.13185	1.8
139.80898	1.6
142.07765	2.3
143.08510	2.5
145.10124	11.8
147.08017	4.0
147.11650	16.3
149.09621	5.6
149.13264	7.6
157.10165	10.8
159.11682	6.2
161.13223	6.4
163.11206	2.8
163.14746	2.7
165.12709	2.8
171.11610	2.0
173.13284	5.8
175.11157	7.0
175.14851	2.7
184.07356	3.2
187.14775	2.3
189.11252	2.9
190.88031	1.6
193.12196	22.0
199.14780	2.3
201.16376	1.7
201.65349	1.7
227.12807	7.1
235.17012	1.6
243.21059	6.1
249.14758	1.7
255.99373	1.7
261.22165	15.7
267.15869	98.6
268.16379	2.0
279.23126	2.3
301.25259	5.4
309.17038	2.8
317.24698	3.5
335.25748	77.2
336.26053	6.1
421.25735	1.8
435.27304	3.0
435.32578	5.2
453.33450	9.4
471.34985	4.0
509.36197	1.9
527.37262	60.1
528.37573	5.5
545.38336	40.9
546.38892	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	774.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	4.1
55.05502	21.3
57.03428	21.1
57.07053	3.3
61.98474	1.1
65.03920	5.0
67.05494	78.4
68.05814	1.9
69.03400	2.3
69.07056	17.7
69.64538	3.0
69.64945	7.5
71.04995	2.4
71.08614	1.3
79.05479	50.3
81.03403	96.6
81.07041	77.2
82.03731	1.7
83.04959	8.4
83.08601	24.6
85.02884	2.8
85.06018	1.2
85.06517	3.5
86.09690	1.5
91.05463	42.2
92.05807	1.7
93.07027	59.2
94.07328	1.3
95.04952	30.3
95.08588	53.1
95.09198	2.6
96.05241	1.5
97.02864	2.9
97.06506	5.2
97.10158	7.1
98.20683	1.6
99.08076	2.1
105.07010	33.0
107.04961	8.0
107.07903	2.5
107.08574	29.1
109.06492	7.5
109.10129	23.3
111.08054	6.9
115.05408	2.5
115.39705	1.2
115.71977	1.2
117.07013	9.0
118.64973	1.2
119.08554	29.0
121.06496	2.9
121.10120	27.0
122.10418	2.5
123.04366	1.9
123.08056	3.9
123.11661	8.5
125.09609	5.4
128.06218	1.3
129.06987	11.2
131.08554	21.5
133.06458	3.4
133.09151	1.9
133.10101	16.8
135.08035	2.5
135.11655	14.0
137.09558	2.4
137.13248	3.0
142.07727	3.3
143.08534	1.8
145.10092	10.6
147.07977	3.0
147.11626	14.9
148.26768	1.2
149.09645	6.3
149.13231	8.4
151.11043	1.5
157.10097	10.6
159.11678	7.5
161.09616	1.7
161.13196	7.5
163.11172	2.7
163.14745	2.0
165.12709	2.5
171.11678	3.3
173.09502	1.8
173.13252	7.6
175.11150	8.1
175.14798	2.8
177.16229	1.3
184.07384	3.0
185.13202	3.6
187.14787	4.6
189.11215	4.3
193.12199	23.1
211.13252	1.7
223.13217	1.6
227.12848	7.4
235.13196	1.9
243.20988	5.7
249.14917	1.7
261.22125	17.7
267.15866	100.0
268.16159	4.6
279.23254	2.2
285.21997	1.2
289.21463	1.5
301.25076	6.1
309.16971	2.3
317.24747	2.4
335.25754	95.0
336.26047	5.2
403.36691	1.4
417.26309	2.3
417.31558	1.6
421.25931	2.8
435.27176	2.1
435.32452	6.0
437.21457	1.4
453.33551	8.2
471.34311	4.3
527.37250	57.5
528.37573	4.8
545.38239	35.3
546.38965	2.8
559.39624	2.0
569.38123	3.7
704.73248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
55.05505	21.1
57.03431	23.8
57.07064	2.2
65.03910	2.9
65.49216	1.4
67.05494	65.3
69.03419	2.1
69.07050	16.7
70.06129	2.1
70.06546	7.9
71.04987	3.7
76.39443	1.6
79.05485	45.9
81.03405	100.0
81.07044	73.3
83.04962	6.4
83.08606	25.1
85.02908	2.8
85.06539	3.5
91.03937	1.8
91.05470	36.7
93.06430	2.8
93.07032	57.2
95.04958	33.9
95.08588	48.1
97.02882	3.1
97.06514	5.5
97.10152	7.1
99.08083	2.9
103.08304	1.4
105.07012	30.5
107.04958	8.9
107.08577	29.3
109.06506	7.0
109.10136	20.1
111.04472	2.3
111.08064	5.8
111.37534	1.7
115.05404	1.7
117.07014	11.5
119.08570	26.0
121.06477	3.9
121.10124	21.9
123.04408	1.7
123.08049	3.5
123.11675	7.9
125.09608	4.6
129.06975	12.5
131.08543	19.9
133.06479	4.6
133.10112	15.9
135.11678	17.1
137.09557	2.0
137.13225	2.8
142.07773	1.6
143.08548	1.9
145.10121	12.7
147.08032	5.5
147.11679	13.9
149.09624	5.4
149.13217	8.7
150.22437	1.9
151.11284	1.7
157.10085	12.1
159.11655	8.2
161.13228	6.9
163.14824	4.5
165.12665	2.4
166.27182	1.5
171.11652	3.8
173.13229	7.3
175.11151	10.9
175.14790	1.9
184.07289	2.4
185.13228	3.6
187.14917	4.0
189.11235	3.3
193.12244	21.3
211.13179	1.7
227.12727	7.8
243.21107	6.4
249.14925	1.9
259.13342	2.2
259.20395	2.2
261.22131	23.8
267.15872	99.8
268.16290	3.5
281.21072	1.7
295.80136	1.7
301.25162	7.6
309.16827	2.3
317.24680	4.0
335.25735	96.2
336.26031	5.0
421.25644	1.7
435.32562	4.4
453.33344	8.1
471.34540	4.1
509.36298	2.6
527.37256	60.4
527.45190	3.7
528.37451	4.8
545.38257	46.8
569.38385	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	774.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05505	21.3
57.03432	10.6
57.07074	3.4
59.04995	1.7
61.02909	4.4
65.03929	3.6
67.05498	73.5
69.03415	3.4
69.06682	1.9
69.07056	23.3
70.06583	3.1
70.88334	1.3
70.88663	3.8
71.04609	2.5
71.04983	37.7
72.04899	1.1
73.06559	1.8
74.45053	1.4
77.03880	1.7
79.05017	2.5
79.05484	49.4
81.03405	5.4
81.07048	100.0
82.07352	1.8
82.49798	1.3
83.04964	5.0
83.08601	12.5
85.02893	3.3
85.06527	10.4
91.05466	69.7
92.26289	1.3
93.06435	2.9
93.07030	59.6
94.07325	1.4
95.04961	6.4
95.08591	35.5
95.69642	1.2
97.02878	2.0
97.06521	9.6
97.10154	5.7
99.04427	1.3
99.08055	2.9
105.04551	1.7
105.07015	64.7
107.04944	3.3
107.08582	33.2
109.06493	4.2
109.10145	18.8
111.08060	4.1
117.07018	20.4
119.07731	2.8
119.08566	48.0
121.06505	2.0
121.10131	24.2
123.07984	3.6
123.11686	14.3
125.09605	7.0
128.06175	1.8
129.05469	2.7
129.06949	8.8
130.07700	1.8
131.08557	28.9
133.10110	51.6
135.08070	2.4
135.11676	16.3
137.09595	1.8
137.13254	1.4
139.11157	2.5
141.06915	1.9
142.07736	2.3
143.08551	10.2
144.09526	1.3
145.10103	23.9
147.11665	26.5
149.09608	2.1
149.13243	11.5
151.11150	8.6
153.12654	1.8
155.08511	3.8
157.10127	13.0
159.11658	24.6
160.11945	1.6
161.13252	17.5
163.11249	1.6
165.12766	2.3
169.10104	4.8
171.11676	10.3
173.13237	10.1
175.11121	1.7
175.14729	7.2
181.10081	2.0
183.11700	6.0
183.13794	4.7
184.07262	4.0
185.13223	9.5
187.13278	5.8
187.14813	4.4
189.12752	2.2
195.11662	2.2
195.13737	1.8
197.13249	3.4
199.14806	5.8
201.14743	2.8
209.13237	2.8
211.14728	1.7
213.16451	3.1
215.18036	2.0
223.14861	1.5
225.12717	1.5
227.16333	2.2
231.21153	2.4
241.19577	13.8
243.15935	5.4
257.17416	4.8
259.20584	27.5
261.22150	2.0
267.15866	2.5
269.17459	8.7
273.18631	1.8
275.20160	2.6
297.22208	2.4
301.20029	24.5
315.23172	7.5
333.24219	34.2
334.24652	2.1
335.25809	2.3
351.25806	1.7
391.29944	1.8
409.30936	7.2
417.31699	1.6
421.16321	2.0
435.32358	5.7
453.33423	4.1
483.34259	7.4
501.35706	86.4
502.35757	5.4
503.37039	5.9
509.36084	5.0
527.37317	47.0
528.37250	3.4
533.37970	5.7
545.38580	7.4
559.39911	23.9
774.41119	9.7
775.41986	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28804	0.4
55.01851	0.9
55.05501	2.7
57.03421	1.6
61.02916	4.4
65.03918	0.4
65.72904	0.4
67.05141	0.6
67.05495	7.4
69.03420	3.4
69.07047	3.2
69.59856	1.5
69.60288	1.5
71.01352	0.6
71.04982	1.5
73.02898	3.6
79.05487	7.7
81.03403	3.0
81.06606	0.7
81.07045	7.9
82.07406	0.6
83.04961	1.5
83.08611	1.1
85.02894	4.9
85.06551	0.4
91.03947	2.3
91.05464	5.8
93.07025	6.3
95.04955	2.5
95.08591	4.0
96.50077	0.4
97.02880	4.6
97.06512	1.2
97.10156	0.7
98.20959	1.3
99.04449	0.6
101.02377	1.5
105.07005	4.6
107.04955	1.3
107.08571	3.1
109.02840	0.7
109.06505	0.9
109.10149	1.5
111.04453	0.5
111.08032	0.6
115.03909	0.4
117.07001	1.1
119.08569	3.4
121.10101	1.1
123.08025	0.7
123.11681	0.5
123.30603	0.4
127.03912	1.1
128.06181	0.4
129.07008	1.7
131.08540	1.5
133.10129	1.6
135.11711	1.4
137.67052	0.5
143.08548	0.8
143.63510	0.4
145.04869	0.5
145.10135	1.4
147.11662	2.6
149.09584	0.8
149.13257	0.9
159.11693	1.0
161.13245	1.1
163.11166	0.6
171.11726	1.1
184.07396	0.6
203.05164	0.4
211.13391	0.5
225.41844	0.4
236.46088	0.4
243.08307	3.0
247.13116	1.2
269.17456	1.3
275.20322	0.5
281.17395	0.5
286.17206	0.4
303.15436	0.7
333.20370	2.0
438.97232	0.4
439.19022	0.6
453.21292	0.9
465.20889	9.6
551.28326	5.5
589.80597	0.5
775.42249	100.0
776.42651	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	775.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28804	0.4
55.01851	0.9
55.05501	2.7
57.03421	1.6
61.02916	4.4
65.03918	0.4
65.72904	0.4
67.05141	0.6
67.05495	7.4
69.03420	3.4
69.07047	3.2
69.59856	1.5
69.60288	1.5
71.01352	0.6
71.04982	1.5
73.02898	3.6
79.05487	7.7
81.03403	3.0
81.06606	0.7
81.07045	7.9
82.07406	0.6
83.04961	1.5
83.08611	1.1
85.02894	4.9
85.06551	0.4
91.03947	2.3
91.05464	5.8
93.07025	6.3
95.04955	2.5
95.08591	4.0
96.50077	0.4
97.02880	4.6
97.06512	1.2
97.10156	0.7
98.20959	1.3
99.04449	0.6
101.02377	1.5
105.07005	4.6
107.04955	1.3
107.08571	3.1
109.02840	0.7
109.06505	0.9
109.10149	1.5
111.04453	0.5
111.08032	0.6
115.03909	0.4
117.07001	1.1
119.08569	3.4
121.10101	1.1
123.08025	0.7
123.11681	0.5
123.30603	0.4
127.03912	1.1
128.06181	0.4
129.07008	1.7
131.08540	1.5
133.10129	1.6
135.11711	1.4
137.67052	0.5
143.08548	0.8
143.63510	0.4
145.04869	0.5
145.10135	1.4
147.11662	2.6
149.09584	0.8
149.13257	0.9
159.11693	1.0
161.13245	1.1
163.11166	0.6
171.11726	1.1
184.07396	0.6
203.05164	0.4
211.13391	0.5
225.41844	0.4
236.46088	0.4
243.08307	3.0
247.13116	1.2
269.17456	1.3
275.20322	0.5
281.17395	0.5
286.17206	0.4
303.15436	0.7
333.20370	2.0
438.97232	0.4
439.19022	0.6
453.21292	0.9
465.20889	9.6
551.28326	5.5
589.80597	0.5
775.42249	100.0
776.42651	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	776.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.0
55.05500	39.3
57.03425	16.8
57.07048	2.7
58.47165	0.9
59.04969	3.8
61.02905	4.1
63.82691	0.9
65.03915	4.1
67.05492	100.0
69.03407	3.3
69.07059	19.4
71.01343	1.1
71.04968	4.2
73.02895	1.1
74.08105	1.1
74.66846	0.8
77.03880	1.0
79.05478	47.7
81.03394	5.4
81.07040	60.8
83.04966	5.4
83.08163	1.3
83.08607	14.1
85.02887	15.7
85.06506	2.7
87.04456	6.5
87.73108	0.9
90.89777	1.0
91.03936	1.2
91.04919	1.8
91.05464	28.0
91.06035	1.4
93.07027	44.6
94.07336	1.3
95.04945	6.3
95.08589	40.4
97.02890	4.6
97.06525	5.2
97.10147	21.9
98.21076	9.1
99.08064	2.0
103.03909	1.4
105.04455	0.9
105.07006	16.2
107.04893	2.9
107.08567	29.0
109.02901	1.0
109.06486	2.5
109.10135	57.8
111.04430	1.8
111.08045	4.3
117.06994	6.7
117.89578	0.9
119.08561	17.2
121.06500	1.1
121.10116	20.5
123.08036	2.8
123.11657	4.5
125.09615	19.0
129.06955	2.7
131.08530	10.7
133.10114	10.7
135.07993	2.1
135.11676	12.6
137.09608	3.8
139.11140	1.7
143.08536	1.3
143.10658	3.9
145.10103	10.1
147.11647	6.9
149.09592	1.9
149.13217	5.3
151.11131	1.1
155.08542	1.2
155.10643	2.6
157.10106	3.2
159.11650	7.1
161.13225	4.8
163.11166	4.6
163.14825	2.1
171.11661	1.8
173.11690	16.2
173.13222	5.2
175.14804	2.4
181.12157	1.6
184.07240	1.5
185.13248	2.1
187.14717	2.2
191.10690	1.9
193.12228	2.1
199.13269	11.2
199.14876	1.8
203.12659	1.1
205.16118	0.9
209.11713	3.6
217.14290	1.7
227.12677	5.8
229.14314	46.8
230.51978	1.2
238.61290	1.0
243.20967	4.3
245.13812	3.1
257.13589	1.0
259.20444	1.9
261.22083	14.5
267.15869	4.7
275.19824	1.1
277.21732	1.2
279.23102	1.2
283.15314	2.3
284.52737	1.0
299.15115	1.2
301.16373	16.9
303.23196	1.4
315.23331	2.0
317.24649	3.0
327.23099	1.3
333.24094	1.6
335.25742	71.6
336.25998	1.9
363.25119	2.4
452.11832	1.3
459.34436	1.6
477.35632	10.4
489.35629	15.6
517.33923	1.4
542.71490	0.9
543.36279	2.7
561.37640	10.9
574.57355	1.0
579.38550	2.0
690.35211	1.5
776.41309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
55.08095	0.1
57.03412	0.2
61.02912	0.8
66.07031	0.1
67.05505	0.8
68.05008	0.8
69.03424	0.4
69.07072	0.1
69.64523	0.8
70.06579	100.0
71.06906	0.4
73.02901	0.3
79.05483	0.5
80.33166	0.1
81.03386	0.2
81.07056	0.6
83.08597	0.2
85.02883	0.5
91.03931	0.3
91.05476	0.5
93.07006	0.6
95.04915	0.1
95.08602	0.4
97.02884	0.5
105.07014	0.3
107.04934	0.2
107.08566	0.3
108.08073	0.1
109.10156	0.2
117.07030	0.1
119.08596	0.2
121.10120	0.3
123.00518	0.1
123.04349	0.1
127.03870	0.2
131.08611	0.2
135.11607	0.1
184.07349	0.3
232.11766	0.2
264.19788	0.2
281.77560	0.1
335.25943	0.3
497.31473	0.2
524.34973	0.1
589.95984	0.1
616.45508	2.3
631.13116	0.1
755.79956	0.1
778.51068	6.4
779.39886	0.9
779.51715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05508	2.2
57.03428	2.8
61.02920	5.0
61.72692	0.4
65.03933	0.5
67.05491	4.5
69.03414	3.4
69.07060	2.2
70.06581	0.4
71.04986	0.9
71.68831	0.7
73.02905	4.2
79.05469	4.0
81.03403	5.1
81.07042	5.9
83.04958	1.6
83.08602	1.3
85.02886	6.7
86.09715	0.6
87.04447	0.5
91.03947	3.2
91.05467	4.8
93.07022	4.1
95.04943	2.1
95.08588	2.2
95.66730	0.4
97.02876	4.6
97.06537	0.8
97.10153	0.6
99.04451	1.1
101.02357	2.2
103.03948	0.7
105.07009	2.9
107.04962	1.0
107.08585	2.0
109.02845	1.0
109.10152	1.1
111.04440	0.4
111.08089	0.5
117.07030	0.8
119.08568	2.9
120.08834	0.4
121.10124	1.5
123.08055	0.9
125.00002	0.5
127.03886	1.5
129.07011	1.1
131.08565	1.7
133.10115	1.8
135.11673	0.8
142.80159	0.4
145.10124	1.0
147.11697	1.6
149.09616	0.6
149.13258	0.5
157.10074	0.9
163.11125	0.4
175.11122	0.9
184.07339	2.2
185.01746	0.4
185.04234	0.6
193.12297	1.5
211.13242	0.5
243.08337	3.1
249.92555	0.3
251.12610	1.5
284.25342	0.4
333.20236	1.8
439.19748	0.8
451.03296	0.4
453.20996	1.7
469.20380	8.9
551.28174	4.0
681.34558	1.4
725.56555	0.5
779.41724	100.0
780.42090	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	779.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05500	2.0
57.03426	2.6
61.02921	4.2
67.05495	4.4
69.03410	3.2
69.07068	3.2
69.90314	0.7
71.01344	0.8
71.69514	0.6
71.69864	0.9
73.02909	3.3
73.81773	0.7
79.05489	4.5
81.03400	4.2
81.07052	4.1
83.04982	1.2
83.08605	1.6
85.02898	7.2
86.09673	0.8
89.54478	0.6
91.03951	2.2
91.05465	4.2
93.07029	3.1
95.04946	2.1
95.08595	2.9
97.02874	5.1
97.06513	0.7
97.10173	0.9
99.04403	1.2
101.02370	1.8
105.07047	3.3
107.04974	1.3
107.08585	2.6
109.10144	1.4
111.08041	0.8
119.08563	3.1
121.10130	1.2
127.03909	1.1
129.06984	1.1
131.08585	1.4
133.10158	2.6
135.08105	0.8
135.11621	0.9
139.03957	0.7
147.11691	1.5
149.13315	0.8
157.10178	1.3
168.74887	0.7
175.11237	0.9
184.07335	2.2
243.08437	2.6
251.12622	0.8
277.18661	0.7
286.95630	0.7
301.09006	0.8
333.20328	1.9
343.26727	0.7
383.16040	0.9
453.20947	0.8
469.20395	9.7
507.52197	0.7
510.76047	0.7
529.90106	0.7
543.37109	0.7
551.28168	3.2
621.07220	0.7
681.33856	1.1
776.42969	0.6
779.41705	100.0
780.41888	9.4
799.07660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61004	1.5
67.21874	1.5
71.70303	2.0
74.20314	1.5
91.75696	1.7
155.31114	1.6
160.15123	2.0
162.49933	1.9
178.02359	1.5
184.07382	5.2
449.93527	1.7
531.90686	1.6
779.43182	100.0
780.43610	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	779.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05496	1.4
57.03424	2.6
59.05002	0.5
61.02915	5.7
67.05495	4.7
67.63734	0.4
69.03419	3.5
69.07053	1.1
70.06575	4.5
70.87832	1.3
70.88187	0.7
71.01357	0.4
71.04981	2.0
71.06940	0.4
73.02904	3.8
79.05479	4.1
81.03410	3.2
81.07040	5.7
83.08604	1.2
85.02889	6.4
87.04467	0.7
91.03935	3.3
91.05457	3.1
93.07027	5.1
95.04943	1.3
95.08604	4.2
97.02875	5.0
97.06535	0.6
99.04414	0.6
101.02368	1.9
103.03942	0.6
105.07007	2.4
107.08562	2.5
109.02858	0.8
109.10154	1.5
117.82766	0.4
119.08568	1.4
121.10112	2.8
121.43826	0.5
123.11737	0.5
124.99977	0.7
127.03899	1.1
129.06941	0.9
129.79688	0.5
131.08551	1.7
133.10094	1.0
135.11688	1.3
145.04948	0.5
147.08061	0.5
147.11655	1.0
149.09612	1.2
184.07370	1.7
185.04265	0.6
203.05318	0.8
243.08458	1.7
283.15140	4.4
335.25745	0.5
409.30762	0.5
468.23013	0.5
486.81778	0.5
501.23102	5.6
519.29236	7.5
779.45367	100.0
780.45435	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	779.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
55.05492	1.8
57.03417	1.9
61.02914	4.3
67.05486	4.8
69.03403	2.6
69.07014	1.3
70.06577	72.4
71.04974	2.9
71.06907	7.3
71.69848	1.1
73.02892	3.8
75.80202	0.6
79.05470	4.4
81.03391	1.1
81.07035	5.7
83.05001	0.5
85.02873	5.6
91.03930	2.6
91.05463	4.7
93.07011	5.1
95.04972	0.9
95.08575	2.3
97.02901	4.2
97.06521	0.9
99.04457	0.8
100.09064	0.6
101.02370	1.8
103.03915	0.7
105.07010	3.4
107.04956	0.6
107.08570	2.2
109.02865	1.0
109.10130	1.1
115.04021	0.6
117.07020	1.4
119.08572	1.3
121.10107	1.5
127.03913	0.9
131.08582	1.0
133.10072	3.4
135.11676	1.2
147.11664	1.2
151.11174	0.7
155.85249	0.7
159.11646	1.1
184.07304	0.6
216.67075	0.7
239.33481	0.6
243.08360	2.2
259.20258	0.7
267.15591	2.7
283.29712	0.8
301.08963	1.6
315.10516	0.8
405.62814	0.7
453.21127	0.7
465.21176	0.9
485.23553	10.3
535.28613	5.2
557.25641	1.3
617.46393	1.4
634.69696	0.6
747.22638	0.6
779.45233	100.0
780.45947	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	785.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.5
55.05503	12.8
57.03440	5.8
57.07051	1.0
59.03060	0.6
61.02919	24.8
65.03928	1.7
67.05496	24.6
69.03421	6.9
69.07059	10.1
70.06590	0.7
71.04979	3.0
71.69843	0.6
71.70382	1.4
73.02910	4.8
73.72958	0.7
79.05483	21.3
81.03412	5.8
81.07047	23.1
83.04976	3.3
83.08607	7.9
85.02380	1.3
85.02896	25.3
85.06519	2.1
91.03943	14.4
91.05465	32.0
93.07032	21.4
93.19023	0.6
94.72299	0.6
95.04958	6.5
95.08598	15.2
96.29738	0.7
97.02245	1.1
97.02876	18.4
97.06526	3.9
97.10145	2.8
99.04421	1.9
99.08060	1.0
103.05446	2.1
105.04545	0.8
105.07018	23.5
105.07719	1.4
107.04960	5.3
107.08586	8.9
109.02837	2.4
109.06497	4.4
109.10145	7.1
111.08056	2.0
115.03884	1.0
115.05442	2.9
116.06236	1.0
117.05550	0.9
117.07001	18.9
119.04906	1.1
119.07733	1.0
119.08567	13.7
121.06505	4.3
121.10133	5.9
123.04423	1.6
123.08048	3.3
123.11710	0.8
125.09615	2.3
127.03900	6.6
128.06190	5.7
129.05495	1.3
129.06989	23.7
129.07959	1.2
130.07784	1.1
131.04938	0.8
131.08549	24.1
132.81505	0.7
133.06471	4.6
133.10118	7.7
135.08025	2.6
135.11681	3.9
137.09589	1.6
137.97266	0.7
139.03859	2.9
139.11176	0.7
141.06960	11.9
142.07732	2.3
143.08546	19.8
145.04941	4.4
145.06458	6.0
145.10094	12.4
147.08029	5.2
147.11673	4.2
149.09624	3.8
149.13261	1.4
151.11186	1.3
153.06956	2.1
154.07748	1.0
155.08527	17.1
156.09328	1.1
157.06479	2.7
157.10109	12.6
159.08018	5.3
159.11647	9.1
161.09593	2.1
161.13257	1.7
163.03900	1.0
163.06001	3.1
163.11169	2.0
165.06981	3.1
166.07751	1.5
167.08539	7.4
168.09268	1.0
169.10109	10.8
171.08046	2.7
171.11664	6.8
173.09619	3.0
173.11836	0.7
173.13245	2.5
175.09865	0.7
175.11160	4.0
175.14844	1.0
177.12750	2.4
179.08501	3.8
180.09322	1.0
181.10080	8.3
182.10864	1.1
183.08046	1.5
183.11682	7.1
185.09605	3.3
185.13237	4.9
187.11223	1.5
187.14818	1.4
189.12688	1.3
193.10117	3.9
193.12019	1.0
195.11688	8.2
197.09616	1.8
197.13242	4.8
199.11163	1.9
199.14766	2.1
201.12733	1.5
203.14380	1.6
205.10117	1.7
206.10942	0.8
207.11768	3.4
208.12447	0.7
209.13272	5.5
211.11220	1.6
211.14842	4.2
213.12733	2.5
213.16324	1.7
215.14308	3.0
217.15851	1.0
219.11726	1.3
219.13699	0.7
221.13281	4.9
221.15205	1.1
223.14839	4.0
225.12762	2.8
225.16324	2.0
227.14357	2.0
229.14172	1.1
229.16187	0.9
231.13846	1.0
233.13266	1.7
233.15425	0.7
235.14824	3.4
237.12790	1.3
239.14299	4.3
241.15942	2.1
245.15411	0.8
249.16409	1.0
253.15871	1.1
255.17410	0.9
257.15283	2.8
259.17096	1.3
263.17953	0.9
267.17529	1.4
269.15244	1.5
271.16873	3.2
283.16898	1.3
285.18475	0.9
305.22543	1.9
315.21075	2.2
323.23657	4.1
329.43707	0.7
331.19028	0.9
333.22086	10.2
333.25885	1.2
341.24713	5.3
351.23123	32.3
352.23654	0.9
369.24182	22.1
387.25159	11.4
389.24646	1.0
407.25909	0.8
415.28104	1.1
425.26886	6.9
433.29248	1.3
443.27878	100.0
444.28116	4.1
459.25534	0.8
461.28937	59.2
462.29337	2.7
485.29068	1.6
503.29965	1.3
519.63861	0.8
527.30005	1.1
542.25696	0.7
551.29950	1.4
569.30774	1.6
587.32007	2.4
605.32977	3.1
623.34222	3.0
709.76801	0.8
749.34497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	12.7
55.05504	53.0
55.32749	1.4
57.03428	13.8
57.07062	5.0
59.04959	2.0
61.02914	12.2
65.03918	5.5
65.64468	1.3
67.05495	83.8
69.03422	19.7
69.07062	33.1
70.29456	3.5
70.29854	2.6
71.01347	1.7
71.04979	8.7
73.02909	8.0
77.03912	2.8
79.05481	61.0
81.03407	23.7
81.07043	63.0
83.01349	1.3
83.04968	12.7
83.08607	27.8
85.02892	18.3
85.06525	3.4
87.04490	1.7
91.03946	7.9
91.05464	67.1
93.07030	48.8
95.04956	16.0
95.08000	3.0
95.08591	50.1
96.31808	1.5
97.02881	15.0
97.06523	8.4
97.10149	35.8
98.20641	1.6
99.04444	4.1
99.08094	3.3
101.02365	2.8
103.05440	3.3
105.04539	1.6
105.07021	51.3
105.09796	1.4
107.04948	7.9
107.08582	38.6
109.02861	7.7
109.06521	7.5
109.10152	25.3
111.04447	2.6
111.08086	5.1
115.05441	6.5
117.07005	35.0
119.04951	3.0
119.08563	36.9
121.06485	5.8
121.10115	18.1
123.04388	2.3
123.08028	7.9
123.11705	4.7
125.09618	25.5
127.03873	7.3
128.06198	10.7
129.05478	2.3
129.06987	27.1
130.07745	1.7
131.08548	31.2
133.06471	4.9
133.10101	23.6
135.08023	8.0
135.11679	10.0
137.09608	3.6
141.06964	13.8
142.07748	8.4
143.08548	28.8
144.09230	2.6
145.06473	7.5
145.10109	31.8
147.08034	7.1
147.11652	18.3
149.09618	6.4
149.13234	3.6
153.06973	4.2
153.09048	5.2
154.07722	2.9
155.08525	25.9
156.09317	3.3
157.06479	3.8
157.10118	27.0
159.08015	6.0
159.11667	19.4
161.09645	4.3
161.13228	6.4
163.11176	2.0
163.14734	2.0
165.07013	5.6
165.09105	1.9
166.07776	4.9
167.08543	14.9
168.09377	4.3
169.06429	2.0
169.10101	22.3
171.08023	6.1
171.10184	3.3
171.11646	19.0
173.04422	3.7
173.09592	6.0
173.13206	11.5
175.11189	3.4
175.14824	2.7
179.08548	8.5
180.09343	3.4
181.10104	14.9
182.10861	3.7
183.08054	2.7
183.11671	20.3
184.07288	2.8
185.09583	5.8
185.13231	13.4
187.11177	5.3
187.14787	5.9
189.11205	19.8
189.12749	2.1
191.08487	2.2
191.14346	2.0
192.09422	2.0
193.10118	7.4
193.12143	1.9
194.10866	2.7
195.08012	1.9
195.09976	2.5
195.11664	16.1
197.09645	4.7
197.13246	14.2
199.11143	4.5
199.14812	6.9
201.12843	3.2
201.16367	2.3
205.10141	2.0
207.11678	8.5
209.09642	2.6
209.13251	13.3
211.11182	3.4
211.13168	1.6
211.14859	9.3
213.12798	3.5
213.16345	3.6
215.14243	1.7
215.18016	1.7
219.11673	5.8
221.13367	8.1
223.11230	3.2
223.13022	2.4
223.14827	5.0
225.12776	3.0
225.16359	6.9
227.12674	15.1
227.17972	3.1
231.17407	1.8
233.13206	3.4
235.14767	5.2
237.12599	2.1
237.16405	6.4
239.17984	6.1
241.15872	2.2
241.19511	4.1
243.11670	2.5
245.13551	3.5
251.14243	2.0
251.17947	4.5
253.15813	3.7
253.19661	2.9
255.17407	2.6
257.19104	3.6
259.20569	6.6
263.17911	2.6
265.15726	1.9
265.19531	2.5
267.17520	1.9
269.18967	1.8
271.16956	3.6
271.20456	3.0
273.18481	6.3
275.20142	4.8
283.20480	2.7
285.22122	1.9
291.19427	15.8
297.18497	2.2
297.21930	2.6
299.19907	2.1
307.20480	2.1
309.22040	2.5
311.19846	2.6
313.21619	2.3
315.23169	2.6
325.25336	2.2
333.24307	4.1
339.23151	2.8
341.24826	2.5
343.22614	1.8
349.21640	2.4
355.23004	1.8
363.26913	2.0
365.23694	3.4
367.22403	2.5
377.28351	2.3
379.29999	13.1
385.23712	2.7
417.65594	1.7
419.29596	2.3
433.31287	1.7
443.29172	1.9
461.30148	2.6
487.31699	3.1
497.32300	1.7
511.34042	3.0
513.36713	6.0
529.35254	1.9
531.38086	11.4
535.34192	2.3
536.35345	2.1
541.35297	4.8
543.36389	1.7
549.39526	8.8
550.57800	2.1
553.35028	3.9
554.35754	4.8
569.38684	1.7
605.41931	33.0
623.42999	100.0
624.43335	10.5
687.40344	1.9
716.40796	2.4
731.44098	3.7
749.45453	2.6
767.46722	6.5
785.48224	35.5
786.48328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2274
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01831	0.2
56.51066	0.1
57.03426	1.5
61.02883	0.4
65.03897	0.1
69.03425	1.1
70.06537	0.3
71.04980	8.3
71.05368	0.3
71.69645	0.2
73.02859	0.5
75.04407	0.4
77.31443	0.1
81.03362	0.6
83.04929	0.6
85.02890	12.7
87.04417	0.4
92.02572	0.3
93.03340	0.6
97.02876	1.4
99.04408	0.3
107.04963	0.1
109.02819	0.4
111.04369	0.5
121.02808	0.5
123.04377	0.3
124.36160	0.2
126.03161	0.1
127.03880	0.9
129.04578	0.2
129.05457	2.3
135.04353	0.2
137.02272	0.3
137.05933	0.2
139.03845	0.9
145.04956	0.7
147.06451	0.5
151.03867	1.0
153.00655	0.3
153.01799	3.9
163.03867	0.3
165.01744	0.6
173.06018	0.2
177.05478	0.3
183.02666	0.2
197.21042	0.1
201.05420	0.4
203.03262	0.2
217.04968	0.2
218.05698	0.3
219.02870	0.2
228.04108	0.5
229.04922	2.0
243.06540	0.2
245.04451	0.5
246.05193	1.1
257.04401	2.0
260.03122	0.3
261.07498	0.3
264.65991	0.1
271.06046	0.2
273.03809	1.2
274.04654	3.3
284.03192	0.3
285.03912	3.3
286.04346	0.3
288.06400	0.2
299.05426	0.2
302.04156	11.9
303.04526	0.4
317.06500	100.0
318.06891	2.8
329.06705	0.3
359.07504	0.5
461.10605	0.2
479.11786	23.7
480.12238	1.0
641.17224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.6
55.05503	23.1
57.03418	6.4
57.07072	2.3
61.02921	12.0
65.03941	2.6
66.08667	1.3
67.05495	36.3
69.03412	7.6
69.07054	18.5
71.04992	3.7
71.08624	1.1
71.69652	1.2
73.02901	5.1
79.05485	27.7
81.03412	4.5
81.07044	34.6
83.04956	5.9
83.08611	10.7
85.02895	9.3
85.06528	2.2
91.03947	5.0
91.05470	28.2
93.07036	29.7
95.04960	7.5
95.08591	21.2
97.02877	8.5
97.06514	9.0
97.10155	12.3
99.04465	1.5
99.08086	1.8
103.05433	1.6
103.54271	1.0
105.04568	1.1
105.07013	28.7
107.04932	3.9
107.08581	19.4
108.08965	1.3
109.06502	3.9
109.10147	12.9
111.08081	2.2
115.03915	1.1
115.05463	1.5
117.07007	11.9
119.08564	20.1
121.06518	1.8
121.10117	10.7
123.08064	2.9
123.11691	7.7
125.09612	9.0
127.03867	3.5
127.11313	1.2
128.06219	3.2
129.06987	11.8
131.08557	17.7
133.10098	18.7
135.08052	3.6
135.11682	6.4
135.71092	1.1
137.09505	2.5
139.11134	1.4
140.90665	1.1
141.06960	4.3
142.07799	3.4
143.08542	13.6
145.06459	1.2
145.10098	18.3
147.08073	1.5
147.11664	12.0
149.09557	5.6
149.13257	2.7
151.11172	2.4
155.08525	9.1
156.09309	1.7
157.10104	16.8
159.08096	1.4
159.11687	13.6
161.09625	1.5
161.13239	6.2
163.11218	2.9
165.07027	1.4
166.07687	1.2
167.08559	3.9
168.09355	2.3
169.10101	12.9
171.10298	1.8
171.11659	14.9
173.11780	2.2
173.13196	8.6
177.12592	2.1
179.08521	2.5
181.10086	6.5
183.11685	12.3
185.13242	9.3
187.13278	1.9
187.14848	2.9
189.11205	4.0
189.12709	1.4
193.10110	2.9
195.11653	7.1
197.13260	9.1
199.14786	8.2
201.12791	2.2
201.16383	2.6
207.11667	3.6
209.13206	6.4
211.14713	6.9
213.12762	1.3
213.16370	5.0
215.17996	1.7
221.13248	3.6
223.14807	4.1
225.16417	4.4
227.12685	7.2
227.18060	2.6
229.19487	1.4
233.13231	1.6
235.14798	1.2
237.16476	2.7
239.17967	3.5
241.19539	4.3
243.15887	1.7
245.13547	1.4
251.18027	3.2
253.19611	1.3
257.19037	3.7
259.20505	6.4
267.20929	1.5
271.16663	1.2
273.18469	2.8
275.20120	9.9
279.21112	1.4
283.20523	1.7
309.22220	1.5
313.21545	1.9
315.23135	1.4
325.21661	1.7
333.24283	3.1
335.25867	2.4
349.23776	7.4
365.28372	6.1
381.31625	2.8
383.29486	1.8
407.29034	1.3
421.30865	2.7
439.32071	2.8
495.34534	3.8
513.35724	26.8
514.35797	1.2
515.38580	3.6
525.35889	1.6
533.40033	5.7
551.40167	2.3
555.36584	2.2
607.43494	37.0
610.45166	2.7
623.42767	1.5
625.44525	100.0
626.44476	6.9
635.88324	1.2
675.41022	1.4
769.47644	3.2
787.50012	8.2
787.90094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	20.2
55.05503	40.6
57.03427	13.2
57.07067	4.7
61.02917	18.0
65.03927	3.0
67.05495	78.8
69.03420	14.2
69.07059	34.3
70.29774	7.4
71.01332	3.3
71.04984	7.3
73.02895	10.6
79.05483	60.0
81.03402	18.2
81.07044	67.2
83.04974	8.0
83.08607	22.5
85.02897	19.9
85.06521	4.3
91.03424	1.4
91.03956	9.2
91.05470	56.4
91.79330	1.4
93.07030	55.5
95.04953	15.1
95.08588	46.3
97.02882	17.6
97.05936	2.1
97.06519	19.4
97.10165	17.3
98.21348	3.2
99.04456	2.1
99.08050	2.1
101.02368	3.5
103.03958	1.8
103.05457	2.4
105.07014	46.4
107.04939	7.5
107.08584	32.7
109.02880	4.5
109.06505	7.7
109.10136	24.6
111.08042	3.9
115.05453	4.4
117.06995	26.6
119.08569	38.5
121.06461	4.2
121.10122	20.5
123.08060	5.1
123.11704	10.8
123.12486	2.0
124.74487	1.8
125.09631	12.7
127.03886	4.6
128.06216	6.7
129.05470	2.3
129.06996	22.5
131.08551	36.9
133.06496	3.5
133.10094	26.4
135.08022	5.2
135.11684	12.1
135.36864	1.7
137.09595	2.3
139.11214	2.2
141.06993	10.2
142.07758	5.3
143.08534	26.0
145.06422	4.2
145.10103	32.8
147.08003	5.6
147.11647	15.0
149.09610	8.9
149.13257	6.3
151.11166	4.2
153.07069	2.8
153.09184	2.4
154.07745	2.8
155.08519	15.7
156.09337	4.9
157.06493	2.3
157.10114	25.0
159.08081	1.8
159.11667	21.8
161.09564	2.4
161.13234	8.9
163.11128	5.9
163.14845	4.0
165.07011	2.4
166.07838	1.7
167.08519	8.8
168.09402	3.3
169.10095	20.5
170.24940	1.6
171.10257	2.0
171.11659	22.1
173.09644	3.1
173.11795	2.9
173.13188	12.3
175.11137	4.6
175.14761	3.9
177.12665	1.7
179.08591	2.7
181.10081	12.4
182.10851	2.1
183.11690	21.1
185.09650	2.2
185.13214	17.1
187.11163	2.9
187.13289	3.1
187.14830	6.7
189.11203	4.4
193.10103	5.3
195.11687	12.2
196.12413	1.9
197.13232	14.2
199.14786	10.2
201.16397	2.1
205.10114	3.0
207.11621	4.6
209.13234	10.7
211.14810	8.1
213.16362	5.5
215.18071	1.9
219.11732	2.3
221.13245	5.2
223.14790	7.0
225.16353	5.4
227.12645	8.9
227.18040	3.5
227.19994	3.0
229.14268	4.0
235.14755	4.8
237.16393	3.7
239.17934	6.5
241.19553	5.5
243.20830	1.9
251.17967	3.7
253.19525	2.4
257.19025	5.1
259.20523	7.7
261.22104	3.8
265.19522	2.0
267.15894	6.6
273.18338	4.5
275.20151	12.1
283.20490	3.2
291.19629	3.9
301.21777	2.4
313.21570	2.8
315.23431	1.7
325.21609	2.2
331.22696	1.9
333.24283	7.8
335.25931	8.1
337.24802	2.6
339.22858	1.9
349.23822	6.3
365.28510	5.4
381.31729	2.1
393.27460	1.9
407.28949	2.3
421.30960	3.6
439.31931	2.9
445.30939	1.8
495.34589	3.6
513.35767	29.8
514.35791	2.6
515.38269	6.1
525.36139	2.1
527.37140	5.1
533.39655	6.2
543.36279	2.5
545.38263	1.8
551.40448	5.2
556.37384	2.4
589.42487	2.4
607.43512	43.5
608.43439	2.9
625.44556	100.0
626.44824	10.7
769.48169	4.2
787.49823	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	787.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.9
55.05503	37.9
57.03429	19.4
57.07061	8.7
61.02918	22.1
62.45288	2.0
65.03923	5.7
67.05493	78.3
69.03159	1.8
69.03421	22.1
69.07053	31.4
70.85286	5.5
70.85685	4.1
71.01361	3.5
71.04987	10.8
73.02901	12.4
77.01711	2.6
79.05480	64.4
81.03410	18.8
81.07039	82.8
83.04967	11.5
83.08604	19.9
85.02898	23.0
85.06521	6.9
87.04456	4.1
89.05989	4.2
91.03926	9.4
91.04922	3.8
91.05466	59.5
93.07030	64.0
95.04960	14.2
95.08589	60.6
97.02867	18.8
97.06509	20.6
97.10130	9.7
99.04411	6.5
99.08057	4.7
103.40004	2.1
105.07014	54.0
107.04935	10.5
107.08573	32.8
109.02854	5.4
109.06512	18.3
109.10139	29.0
111.08048	7.3
115.05436	5.1
117.07005	25.8
119.08554	51.5
121.06448	5.1
121.10112	24.3
123.08043	8.6
123.11672	9.3
125.09612	8.3
127.03875	9.6
128.06169	7.7
129.06992	22.7
130.07797	4.7
131.08543	42.2
133.06461	2.9
133.10098	36.6
135.08028	9.8
135.11664	11.7
137.09561	5.8
137.13246	3.5
141.06943	14.4
142.07739	5.1
143.08534	31.0
144.09256	2.6
145.06400	3.7
145.10100	35.8
147.07997	5.1
147.11659	15.1
149.09589	9.4
149.13261	7.8
151.11127	3.9
153.06953	3.2
155.08545	24.7
156.09279	3.2
157.10098	31.0
159.08003	5.4
159.11667	30.0
161.09622	5.7
161.13251	10.8
163.11131	6.8
165.06960	3.4
167.08539	11.8
168.09409	2.4
168.82422	2.5
169.10098	27.0
170.10776	2.5
171.11655	24.1
173.09563	5.9
173.11885	2.5
173.13245	14.4
175.14807	4.0
179.08549	5.4
181.10097	18.2
183.11655	25.4
184.12285	2.5
185.09541	4.2
185.13261	18.9
187.14771	7.3
191.08446	3.1
193.10028	7.5
195.11646	19.3
197.13249	15.5
199.14813	9.5
201.16339	5.6
205.10062	3.0
206.10873	2.7
207.11636	9.2
209.13240	15.0
211.14844	8.7
213.16325	4.4
219.11636	3.6
221.13252	8.3
223.14774	11.0
225.16400	6.2
227.12723	3.5
227.18039	4.5
227.20013	23.1
228.20415	11.2
233.12988	2.6
235.14778	5.5
237.16344	8.8
239.17903	3.5
241.19594	3.9
245.19009	2.5
247.14751	3.2
249.16400	4.3
250.05756	2.4
251.17888	3.9
257.18961	7.4
259.20529	7.1
263.17947	2.8
273.18433	10.1
275.20105	16.0
283.20490	3.0
291.19470	5.7
301.21683	3.1
309.21951	2.6
311.20175	2.6
313.21497	3.4
325.21481	2.6
333.24298	2.7
335.25800	9.8
347.22342	2.3
349.23953	8.2
365.28580	3.4
421.31000	5.1
445.30115	3.3
447.32367	2.8
513.35608	23.0
515.38556	9.0
527.37268	2.8
533.39563	9.6
539.37189	5.1
541.38739	9.5
551.40656	5.1
553.38831	7.8
567.40143	4.9
588.76544	2.8
589.42450	3.6
597.44690	2.8
607.43610	59.9
608.43494	7.1
617.59540	2.7
625.44513	100.0
626.44720	10.0
733.46173	6.0
751.47314	5.3
769.48212	5.6
787.02563	2.7
787.49402	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	787.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	16.7
55.05504	40.3
55.07203	2.0
57.03433	14.1
57.07056	4.7
61.02909	10.5
65.03929	6.6
67.05497	83.5
69.03423	25.3
69.07053	37.8
70.11591	2.0
70.29292	9.7
71.04976	9.3
73.02896	4.6
76.43706	2.9
79.05477	73.3
81.03404	54.7
81.07044	100.0
83.04984	13.3
83.08605	18.4
85.02887	17.2
85.06538	6.2
91.03931	3.5
91.05464	77.2
92.05782	3.0
93.07028	71.4
95.01311	2.9
95.04948	17.5
95.08590	53.2
97.02876	23.7
97.06519	20.7
97.10139	9.2
99.04408	8.0
99.08073	6.2
103.05415	4.2
105.06326	5.0
105.07011	71.9
107.04930	11.6
107.08578	47.0
109.02863	10.3
109.06508	11.1
109.10149	23.8
111.04421	4.5
111.08081	6.7
115.05458	3.4
117.06997	30.9
119.08561	55.5
121.06499	8.9
121.10124	25.4
122.07125	2.0
123.08041	7.8
123.11681	9.6
125.09591	5.6
127.03866	10.0
128.06171	5.4
129.05418	3.1
129.06982	21.2
130.07799	3.4
130.19006	2.1
131.08545	44.3
133.10112	49.4
135.08022	9.6
135.11674	15.2
137.09599	5.4
141.06976	10.1
142.07739	3.8
143.08546	29.0
145.06470	3.1
145.10104	29.0
147.08083	4.6
147.11671	29.7
149.09595	6.5
149.13226	11.0
151.11148	4.5
154.07791	2.7
155.08511	14.5
157.10112	19.1
159.08008	5.1
159.11688	26.9
161.09624	4.1
161.13217	17.0
163.11154	6.8
163.14825	4.3
165.09052	2.3
165.12720	7.2
167.08551	8.6
169.10114	15.2
171.11636	17.4
173.04440	21.0
173.09572	3.9
173.13248	16.1
175.11156	3.2
175.14784	8.7
177.12746	3.3
179.08606	3.6
181.10091	7.9
183.11684	14.8
185.09567	2.4
185.13141	13.2
187.11134	3.6
187.14777	7.5
189.12683	2.4
195.11690	8.0
197.13162	12.4
199.11269	4.9
199.14775	10.7
201.12767	4.2
201.16405	3.3
207.11639	3.4
209.13229	8.1
211.14845	5.0
213.12770	2.4
213.16409	6.2
215.14432	2.5
215.17949	3.0
221.13289	4.5
223.14839	5.9
225.16383	2.9
239.17845	4.0
241.19476	6.3
247.14890	2.8
247.20424	3.4
253.19662	3.1
257.19037	7.3
259.20596	15.8
261.22202	4.8
263.20123	3.5
265.19485	3.2
267.15857	7.1
269.17429	7.2
273.18430	7.0
275.20050	25.0
276.13055	2.3
277.21689	2.5
297.22113	3.1
313.21576	2.5
315.23090	2.8
333.24295	13.6
335.25693	9.0
341.24869	2.9
349.23856	16.9
369.24161	2.8
385.23923	2.8
387.24734	2.4
435.32422	4.6
454.09882	2.5
501.35016	3.2
513.35797	6.3
514.45721	2.2
515.37946	6.7
525.35321	3.2
527.37225	22.5
533.39734	9.0
545.39343	3.4
551.40808	3.3
597.44885	3.1
607.43518	43.0
625.44452	56.9
626.44067	6.5
635.38843	4.1
639.96307	3.1
648.28101	2.5
653.40247	4.6
671.41034	4.7
689.42493	10.8
690.42548	2.8
691.44019	3.0
715.44879	2.8
733.46234	4.3
751.46814	4.1
769.48627	7.5
787.48553	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	787.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.8
55.05502	31.6
57.03420	11.1
57.07075	4.1
57.57460	1.9
61.02915	17.4
63.80351	1.4
65.03951	3.5
67.05494	67.2
68.05842	1.8
69.03413	17.5
69.07058	28.6
70.87327	2.7
70.87678	2.6
71.04984	6.5
73.02914	7.7
75.17364	1.6
77.03952	2.5
79.05479	46.3
81.03405	28.7
81.07043	62.6
82.07350	1.8
83.04971	8.3
83.08615	15.3
85.02889	14.5
85.06525	3.6
91.03935	4.1
91.05462	45.3
92.05798	1.7
93.07030	48.6
95.04959	13.4
95.08590	40.6
97.02875	17.0
97.06516	15.2
97.10137	10.6
99.04438	3.8
99.08100	2.7
101.02327	1.8
105.07009	44.1
107.04952	9.4
107.05582	1.7
107.08582	30.9
108.08900	2.2
109.02865	6.0
109.05823	1.6
109.06498	6.5
109.10136	23.1
111.04417	3.0
111.08080	7.9
113.09574	1.7
115.05466	3.9
117.06997	21.6
119.08562	35.0
121.06488	3.0
121.10108	16.1
123.08060	4.8
123.11709	4.8
125.09621	6.9
127.03917	4.9
128.06200	4.5
129.05547	2.4
129.06992	16.4
131.08540	29.9
133.06491	2.5
133.10109	28.4
134.53981	1.9
135.08041	6.1
135.11652	10.8
137.09598	5.4
141.06918	7.6
142.07726	5.2
143.08525	20.5
145.06422	3.0
145.10107	28.2
147.08028	3.2
147.11659	20.4
149.09624	11.0
149.13245	5.8
151.11177	1.8
153.06978	2.6
154.07799	2.7
155.08537	14.7
156.09198	2.4
157.10104	22.0
159.08055	3.2
159.11662	20.1
160.12036	1.5
161.09538	4.2
161.13235	10.1
163.11168	5.4
163.14705	2.3
165.06947	2.6
165.12733	3.6
167.08574	7.6
168.09360	3.7
169.10097	19.1
171.07976	3.6
171.11674	19.6
173.04442	5.0
173.09608	3.5
173.11934	2.8
173.13191	11.5
175.11113	2.3
175.14809	5.3
177.12639	3.3
179.08511	3.7
179.14273	1.8
181.10083	8.7
182.10864	1.6
183.11694	14.4
184.07365	1.8
185.13242	14.8
187.11223	2.4
187.14822	6.4
189.11172	3.4
189.12727	2.6
193.10205	2.4
195.11740	10.9
197.09526	2.0
197.13255	13.4
199.11148	3.3
199.14822	7.8
201.12645	2.3
201.16359	2.7
205.10301	2.1
207.11664	4.8
209.13130	7.9
211.14777	8.1
213.16347	5.1
219.11501	2.1
221.13141	4.9
223.14751	5.7
225.12732	2.4
225.16391	3.9
227.12717	4.0
227.17931	2.2
229.14189	3.7
233.13240	2.2
235.14905	2.5
237.16400	5.1
239.17934	5.1
241.19518	3.5
243.15822	2.6
243.21025	1.8
247.14841	3.2
249.16193	2.0
251.18024	3.1
253.15996	2.2
253.19658	2.8
257.19037	5.0
259.16800	2.2
259.20605	9.3
261.22223	4.2
273.18491	2.5
275.20023	15.7
276.20319	3.1
277.21729	2.0
279.52939	1.8
285.18573	1.9
285.21875	2.1
289.21844	1.7
291.19421	2.0
292.19153	1.9
295.20340	1.8
297.22275	2.4
301.21600	1.9
309.22067	3.1
313.21542	2.8
315.23108	1.8
321.22256	2.4
325.21454	1.9
331.22723	3.2
333.24200	8.2
335.25513	4.6
343.22775	1.9
349.23633	7.4
361.24991	2.1
365.28339	2.7
379.30130	1.9
381.31595	2.3
384.14951	1.7
403.29916	2.5
421.30856	3.5
435.17416	3.0
439.32059	2.9
473.32239	2.0
495.34610	3.0
504.66528	2.0
513.35675	33.6
514.36420	2.2
515.38361	6.0
525.35468	2.7
527.37213	5.8
533.39697	4.9
537.35437	2.9
551.40393	4.6
555.36224	2.1
607.43524	47.8
608.43646	2.7
623.42395	1.8
625.44507	100.0
626.44879	6.3
671.40759	2.5
689.42059	2.7
733.46057	2.4
769.48138	5.8
787.49432	13.4
788.48993	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	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.6
55.05504	33.5
57.03432	11.0
57.07046	2.9
61.02913	10.8
65.03924	3.9
67.05492	71.2
67.63132	1.4
69.03409	7.4
69.07056	19.6
69.45953	13.8
69.46355	2.2
71.04972	4.6
73.02924	2.2
79.05479	60.9
81.03420	9.2
81.07042	71.8
83.04972	7.7
83.08608	15.4
85.02895	10.7
85.06557	2.5
91.03931	4.5
91.05464	65.3
93.07026	60.9
95.04955	11.8
95.08591	48.9
97.02861	7.3
97.06493	5.5
97.10138	5.5
99.08065	2.8
103.05406	2.7
105.04517	1.9
105.07011	43.1
107.04925	9.0
107.08575	31.1
109.02890	2.8
109.06506	11.7
109.10137	15.4
111.08060	3.9
115.05425	5.0
115.25525	1.8
116.06259	1.9
117.07001	33.5
119.04926	3.6
119.08558	33.3
121.06465	5.7
121.10121	22.2
123.08028	6.4
123.11674	4.9
125.09608	4.2
127.03851	2.8
128.06213	9.9
129.06970	19.6
130.07765	4.3
131.08549	50.3
133.06532	8.7
133.10104	19.9
135.08020	9.2
135.11655	9.4
137.09595	2.5
141.06915	8.4
142.07721	4.4
143.08531	33.3
145.06464	4.6
145.10091	46.8
147.08018	7.1
147.11664	12.6
149.09561	5.5
149.13202	5.2
153.06935	1.6
154.07761	1.8
154.33044	1.6
155.08516	7.1
157.06445	1.8
157.10094	18.4
159.08041	5.8
159.11681	17.0
161.09604	13.3
161.13202	5.2
163.11201	7.4
165.06958	3.1
165.12819	1.8
167.08554	2.7
169.10069	10.8
171.08041	3.8
171.11662	15.8
173.09612	5.3
173.13219	6.6
175.11140	9.6
177.12657	5.0
180.09311	2.2
181.10095	6.0
183.11563	3.6
184.07257	1.7
185.09483	3.0
185.13269	5.4
187.11220	1.9
187.14841	2.6
189.11176	2.7
189.12735	3.1
191.10539	1.8
193.12347	2.0
195.11674	9.4
197.13225	3.8
199.11047	3.4
199.14708	3.1
201.12758	1.9
209.13173	3.6
213.12738	1.8
223.13155	1.6
227.17871	7.5
231.17258	1.9
237.16252	11.3
245.18927	7.9
255.17354	15.7
259.20374	2.7
261.22076	5.5
271.16812	1.7
273.18439	65.8
274.18860	2.2
275.19934	2.1
291.19556	9.8
329.21188	3.2
335.25751	100.0
336.26004	4.6
347.22104	35.7
348.87228	1.8
365.23074	3.7
607.43518	35.6
608.43811	2.6
625.44586	12.6
714.37482	1.8
787.48102	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	3.3
55.01868	35.8
55.05506	30.7
57.03428	19.0
57.07063	2.8
59.04987	3.5
61.02913	8.6
65.03935	7.0
67.05496	100.0
68.05828	8.1
69.03419	12.3
69.07060	44.3
70.15340	2.1
71.04979	8.9
73.02881	2.4
79.05486	67.5
80.05821	3.1
81.03417	20.2
81.07045	96.6
83.04967	10.0
83.08607	11.4
85.02890	11.4
85.06541	6.8
91.03891	2.7
91.05468	81.4
92.05752	2.3
93.07028	69.8
94.07357	3.9
95.01297	5.0
95.04960	21.2
95.08593	54.3
96.08921	3.7
97.02897	8.1
97.06519	43.8
97.10168	6.9
99.08094	7.1
101.02415	2.0
103.05451	4.5
105.07016	94.8
107.04952	19.1
107.07906	3.5
107.08579	43.4
108.08955	2.4
109.06498	15.2
109.10146	40.6
110.10474	5.2
111.04424	2.8
111.08083	7.1
114.86862	2.3
115.05433	5.0
117.07009	27.9
119.08561	54.7
120.08855	4.1
121.06488	6.3
121.10148	21.3
122.98679	1.9
123.08057	8.8
123.11692	5.6
125.05852	2.4
125.09592	4.6
127.03912	5.9
127.07528	2.9
128.06207	6.1
129.06975	16.1
131.08551	39.3
133.06470	2.9
133.10121	47.5
135.08038	10.6
135.11650	17.3
137.09637	7.9
139.07574	2.9
140.34328	2.0
141.06984	5.7
142.07713	2.7
143.08574	15.6
145.06442	4.7
145.10115	32.2
147.07971	4.7
147.11673	28.3
149.09615	7.1
149.13246	8.6
151.07509	2.6
151.11205	2.6
155.07228	2.4
155.08519	5.1
157.10115	13.8
159.08026	3.1
159.11646	22.3
161.09705	5.2
161.13255	14.7
163.11166	6.8
163.14830	2.3
165.12738	2.3
165.55971	2.3
169.10100	10.0
171.11650	15.0
173.09732	2.4
173.11720	5.4
173.13271	12.8
175.11186	4.2
175.14815	5.4
177.12732	3.7
179.14339	6.8
181.10130	6.0
183.11711	8.6
185.09618	2.7
185.13254	11.6
187.11221	6.3
187.14809	4.2
189.12685	3.2
195.11742	5.7
197.13275	5.9
199.14801	4.5
201.12761	2.2
201.16414	3.0
205.12215	2.3
209.13220	2.7
219.17488	2.3
221.13278	2.4
223.13152	3.2
223.15041	2.4
224.13765	3.3
229.14342	19.2
230.14709	5.8
231.17485	2.2
239.17953	3.5
241.14085	3.2
241.19458	13.1
243.21181	2.3
244.21391	2.3
257.19031	7.1
259.20538	16.4
261.22131	4.9
262.22546	4.1
273.18466	9.3
275.20056	53.9
279.16083	2.1
291.19550	5.8
293.21060	3.7
297.16858	6.2
298.17261	5.5
315.23129	6.9
333.24240	32.7
335.25830	28.2
336.25964	15.8
343.99927	2.2
347.22128	4.8
349.23734	35.9
403.29904	2.7
437.34076	3.3
489.35492	5.9
490.36057	9.6
501.35043	3.3
515.38745	3.0
529.38916	3.1
533.39795	2.5
551.41193	5.3
558.38379	3.1
607.43469	51.0
625.44598	34.7
639.37030	2.4
691.45526	2.6
769.48511	3.0
787.49786	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	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	16.5
55.05498	33.8
57.03418	14.8
57.07071	3.0
59.04980	2.3
61.02920	17.3
65.03910	8.2
67.05143	4.4
67.05492	81.2
69.03426	16.1
69.07055	37.3
71.04964	9.0
71.69648	3.5
73.02888	9.2
79.05476	56.3
81.03403	40.3
81.07043	74.5
83.04971	11.1
83.08607	21.0
85.02886	19.5
85.06505	4.5
91.03935	6.6
91.05460	69.3
91.16017	2.2
92.04984	3.9
93.07027	59.7
95.01306	2.3
95.04449	2.2
95.04945	18.7
95.08591	53.5
97.02889	15.3
97.06505	23.7
97.10161	9.5
97.58091	1.7
98.71399	1.9
99.04438	5.2
99.08073	5.3
99.57523	2.0
101.02354	3.9
103.05433	3.5
105.06342	3.3
105.07014	62.4
107.04932	15.0
107.08573	31.6
109.02856	7.2
109.06522	9.8
109.10137	35.2
111.04423	2.6
111.07372	2.0
111.08013	9.5
115.05421	5.6
115.72358	2.0
117.05670	2.6
117.07013	26.7
118.06541	14.7
119.07294	2.6
119.08553	45.2
121.06464	4.6
121.10128	17.7
123.04366	3.5
123.08042	7.5
123.11678	8.6
125.09614	8.9
127.03912	4.1
128.06232	6.4
129.06973	24.5
130.06454	2.6
131.07639	3.4
131.08548	35.6
133.06450	4.3
133.09169	3.4
133.10112	40.6
135.08011	4.3
135.11662	14.5
137.09610	4.2
139.11131	2.6
141.06972	8.6
142.07713	5.5
143.08522	21.7
144.09326	2.4
145.06462	3.5
145.10115	32.6
147.08041	5.3
147.11670	20.5
149.09566	12.3
149.13167	4.1
151.11134	3.6
155.08539	12.1
156.09338	2.7
157.10086	27.9
159.11682	24.0
161.09566	3.5
161.13237	11.3
162.09109	18.9
163.09885	4.6
163.11147	6.5
165.06938	2.6
165.12746	3.3
167.08539	8.5
168.09248	2.6
169.10094	17.1
171.07939	2.8
171.11668	16.7
173.04399	3.4
173.11783	4.6
173.13231	15.0
175.11179	6.6
175.14836	3.7
179.08530	3.6
179.14252	4.4
181.10078	9.5
183.11641	18.0
184.07259	2.9
185.13261	13.4
187.11066	3.9
187.14789	7.4
189.11195	3.5
193.10162	2.6
193.12193	7.7
195.11656	9.4
197.13252	12.8
199.11017	2.2
199.14711	10.7
201.12802	2.3
201.16315	3.8
202.15828	5.1
207.11620	6.1
209.13261	10.2
211.11067	2.6
211.14810	7.6
213.12726	2.9
213.16335	4.5
215.14264	2.2
221.13075	3.8
223.14781	6.3
225.12793	2.7
225.16307	4.6
227.12701	5.6
227.17953	4.5
229.14276	7.0
229.19511	3.0
230.15356	25.8
233.13155	2.3
235.14796	4.0
237.16295	4.6
239.17827	4.2
241.19510	2.6
247.20506	2.5
248.16179	2.3
251.18063	2.6
257.18976	5.5
259.20535	7.5
267.15857	30.8
273.18564	2.5
275.20035	30.8
292.19022	65.1
301.21646	2.6
315.23010	3.1
333.24277	5.0
335.25592	2.4
349.23770	15.5
379.30014	3.1
381.31613	2.4
383.20529	2.1
403.29761	2.3
421.30746	5.5
445.31366	2.5
453.33289	2.3
463.79953	2.4
495.34396	3.3
510.26636	6.5
511.37393	2.3
513.35626	27.0
515.38397	5.9
527.37115	4.7
533.39917	5.7
541.35168	63.2
551.40466	3.4
567.40118	3.0
571.42596	2.2
607.43475	43.8
608.43591	4.8
625.44537	100.0
626.44147	7.4
667.45398	2.5
769.47882	7.4
787.49182	13.4
788.49280	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	788.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.8
55.05500	23.1
57.03431	7.7
57.07064	1.3
59.04993	2.2
61.02915	2.5
65.03914	2.4
67.05493	59.3
69.03419	10.4
69.07056	29.6
69.57333	3.2
69.57760	3.3
71.04978	23.0
73.02896	1.5
79.05019	1.6
79.05479	30.0
81.03414	6.9
81.07041	81.6
82.07362	1.1
83.04957	6.4
83.08601	12.2
85.02888	3.1
85.06523	6.4
86.09705	0.9
91.05462	33.2
92.04994	0.9
93.07027	24.7
95.01318	1.0
95.04945	8.0
95.08586	16.2
97.02868	10.7
97.06505	6.0
97.10149	11.8
98.21536	0.9
99.04437	1.2
99.08082	1.7
105.07007	17.7
107.04918	5.4
107.08569	19.5
109.02851	0.9
109.06492	4.7
109.10139	14.1
111.04464	1.3
111.08112	3.5
113.09667	0.8
115.05429	1.1
117.06995	8.2
118.06489	3.6
119.04921	0.9
119.08570	12.5
121.06490	3.2
121.10130	6.6
123.04408	1.0
123.08024	3.7
123.11703	10.5
125.00005	0.9
125.09605	7.9
127.73185	0.7
128.06207	1.0
129.06973	3.8
131.08536	10.3
133.06470	3.0
133.10104	16.9
134.09595	0.8
135.08028	4.0
135.11684	5.7
137.09637	2.5
139.11136	1.0
141.07001	0.8
142.07834	1.0
143.08551	3.6
145.10107	6.3
147.08038	4.9
147.11667	5.2
149.09564	2.6
149.13219	5.7
151.11147	6.3
153.09024	1.4
155.08569	1.2
157.10123	3.4
159.08028	1.2
159.11661	6.2
161.09613	1.3
161.13232	1.6
162.09117	3.8
163.09857	1.0
163.11165	1.6
165.09027	1.6
165.12694	0.8
169.10204	1.0
169.12219	1.2
171.11662	1.8
173.04436	0.8
173.13277	1.3
175.11136	1.8
177.12740	3.3
183.13831	2.9
184.07266	3.9
187.13269	3.9
189.11234	3.4
195.13725	4.1
201.14850	1.2
202.15913	1.2
205.12241	1.8
213.14781	0.9
223.13235	19.1
223.15302	1.1
225.14731	3.9
227.12732	5.6
230.15405	6.1
243.15857	1.0
245.18871	1.0
249.14894	2.7
255.17310	1.0
257.17380	2.8
267.15961	1.1
269.17435	8.0
273.18472	11.9
274.18698	0.8
275.19998	1.2
291.19489	87.4
292.19046	18.0
301.20035	21.0
306.67249	0.7
309.20596	1.2
347.22186	2.2
365.23154	21.5
365.27768	1.1
366.23563	1.0
406.99252	0.8
421.25723	0.9
435.27701	1.3
461.28799	1.3
480.93658	0.9
510.26660	1.0
511.32410	1.8
515.33484	3.4
533.34656	100.0
534.35034	5.3
541.35333	2.1
547.36261	16.9
548.35956	0.9
559.36200	52.2
560.36548	2.7
591.38776	27.3
625.44373	1.0
626.44531	3.3
646.73663	0.8
788.49286	17.8
789.49188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	11.7
55.05505	29.0
57.03421	18.5
65.03923	4.0
67.05137	5.5
67.05488	84.4
69.03406	6.3
69.07047	25.9
71.04959	7.6
71.68859	6.4
73.73630	3.0
79.05476	80.3
80.34029	4.0
81.03403	19.6
81.07040	88.3
83.04952	16.7
83.08607	22.0
83.28516	3.1
85.02899	6.9
85.06516	6.8
91.05456	72.8
92.05774	3.5
93.07027	88.1
95.04958	26.1
95.08586	44.9
97.02869	5.9
97.06504	11.4
97.10168	8.1
105.07009	59.8
107.04945	19.1
107.08562	41.2
109.02851	5.0
109.06487	18.1
109.10123	32.6
111.04433	3.8
111.08075	5.4
115.05453	4.7
117.07003	16.6
119.08547	40.7
121.06461	6.0
121.10091	17.1
123.04388	4.9
123.08027	11.5
123.11671	4.3
125.09607	5.8
129.06989	16.6
131.08589	21.0
131.73412	3.9
133.10095	20.8
135.08083	6.6
135.11655	11.5
139.03911	4.3
143.08490	11.3
145.10085	23.7
147.07997	4.9
147.11659	37.8
149.09593	5.7
149.13213	9.9
157.10194	4.8
159.11629	9.6
161.09573	8.0
161.13223	7.0
163.11176	8.4
171.11618	24.4
173.11639	5.6
175.11130	3.5
177.12700	7.3
184.07352	18.9
189.12715	6.0
193.12227	6.3
207.13783	18.7
211.13264	4.0
221.56586	3.1
227.12753	9.2
229.14334	10.5
257.18762	5.0
267.15762	7.3
269.17416	12.7
275.19989	26.6
281.17358	51.6
283.15436	4.9
285.17102	3.3
291.19525	7.0
293.20892	3.6
349.23621	13.5
363.21576	3.6
367.24570	5.7
435.27344	40.4
460.19891	3.9
475.30542	100.0
476.30371	5.7
493.28091	4.1
555.36658	52.6
556.35913	4.5
573.37225	14.3
591.35303	7.1
617.00146	3.8
619.35052	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	788.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	0.7
60.08151	5.6
63.21273	0.5
71.07364	3.3
71.61819	0.9
72.92044	0.5
74.79517	0.4
76.97142	0.4
86.09690	32.0
95.08591	0.5
97.87228	0.4
98.98447	3.8
104.10720	3.0
124.99981	21.4
137.88962	0.5
142.39908	0.5
184.07304	100.0
185.07565	0.7
245.90346	0.6
299.49313	0.5
500.08203	0.5
506.15732	0.5
601.27069	0.6
690.45844	0.5
699.86536	0.5
788.54083	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	789.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	26.8
55.05505	38.9
57.03428	13.0
57.07059	3.4
59.36015	1.5
61.02918	18.0
65.03926	5.0
67.05494	100.0
69.03421	15.6
69.07063	29.0
70.94262	3.5
70.94600	2.4
71.04982	5.7
73.02894	6.0
79.05483	76.9
80.05806	2.1
81.03392	9.0
81.07044	82.4
83.04987	9.7
83.08614	22.0
85.02887	15.5
85.06541	6.4
91.03959	4.2
91.05463	62.2
93.07030	81.0
95.04955	16.7
95.08590	59.8
97.02877	13.5
97.06516	47.0
97.10157	18.7
97.25279	1.6
98.20985	2.7
99.04465	2.5
99.08063	3.0
99.84888	1.9
103.05485	2.9
105.07018	56.4
107.04937	17.4
107.08579	56.3
109.02869	2.5
109.06491	9.8
109.10134	28.9
111.08067	5.4
115.05433	2.7
117.04362	1.8
117.06995	22.8
119.08571	33.8
121.06509	7.6
121.10126	29.6
123.08076	5.5
123.11684	11.0
125.09598	19.5
127.03889	7.0
128.06110	2.1
129.06978	7.5
131.08551	30.0
131.09474	3.1
133.06432	4.0
133.10112	31.7
135.08038	6.9
135.11676	17.4
137.09612	5.9
139.07533	2.2
141.06981	2.7
143.08545	8.9
145.06453	2.7
145.10107	30.1
147.08066	3.0
147.11678	19.9
149.09610	27.6
149.13237	7.4
151.11208	3.2
155.08569	4.6
157.10132	7.1
159.11671	15.3
161.09593	4.2
161.13220	10.0
163.11214	8.8
163.14784	2.9
169.10115	5.1
171.10318	3.1
171.11708	7.7
173.11787	3.7
173.13155	12.5
175.11212	3.5
175.14824	3.7
177.12732	3.7
179.14236	2.3
183.11681	5.4
183.88083	1.7
184.07326	2.5
185.13286	6.6
187.13252	2.4
187.14790	6.1
189.11169	10.9
189.12712	2.3
193.12325	2.5
197.13261	3.0
201.12567	2.3
201.16396	3.0
211.14812	2.0
219.17470	2.4
227.12733	28.6
229.14427	2.3
229.19414	3.7
239.17899	3.7
241.19624	2.2
243.21181	3.0
257.18997	7.0
259.20728	2.7
261.22012	10.5
267.15900	2.1
275.20020	66.2
276.20334	3.0
277.21780	2.1
293.21106	3.1
331.22516	1.9
333.24188	4.3
335.25742	85.1
336.26056	3.5
349.23709	48.1
350.24277	4.1
351.25296	4.2
367.24606	1.6
431.31583	7.2
488.78049	1.9
505.35092	12.9
513.39496	6.3
515.37085	4.9
609.45062	50.5
610.45453	4.3
613.06531	1.8
627.46161	22.6
763.42383	1.9
789.51990	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	789.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	16.8
55.05506	23.8
57.03419	6.0
57.07063	5.1
60.08134	4.0
67.05489	55.0
69.07053	26.6
71.04977	4.2
71.70200	5.6
73.19951	3.2
79.05488	43.6
81.03406	7.9
81.07041	64.2
83.04960	7.3
83.08613	6.9
86.09686	18.4
91.05473	54.0
93.07028	53.4
95.01291	5.9
95.04942	13.4
95.08595	44.1
97.06516	25.3
97.10145	4.6
105.07011	62.5
107.04931	14.8
107.08568	19.1
108.60806	3.3
109.10127	11.6
117.06991	15.1
119.08561	33.2
121.06448	3.8
121.10098	10.4
124.99975	11.4
129.06981	3.7
131.08557	20.5
133.10112	27.4
135.08066	3.8
135.11638	8.7
137.09589	3.6
145.10100	13.5
147.11720	10.9
157.10201	4.6
159.11674	11.6
161.13184	3.8
170.89091	3.6
173.13263	5.9
179.14276	9.2
184.07329	40.1
219.17372	9.0
257.18860	5.1
275.20035	56.7
293.20868	5.6
335.25720	83.8
349.23517	19.1
422.54639	3.4
454.33121	3.6
488.91748	4.0
609.45038	100.0
610.45050	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	789.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	25.1
55.05506	36.0
57.03418	19.2
57.07053	6.0
59.04980	8.7
61.02922	8.8
65.03922	4.8
67.05495	100.0
69.03410	9.8
69.07065	30.4
71.04984	9.8
71.69914	4.9
73.02894	7.9
79.05479	92.5
81.03400	23.9
81.06607	8.3
81.07043	89.1
83.04960	8.7
83.08601	17.6
85.02883	16.5
87.04440	12.3
91.03927	4.4
91.05467	77.5
93.07030	68.8
95.04980	21.5
95.08595	85.9
97.02869	8.4
97.06514	31.2
97.10146	12.2
99.08076	3.8
105.07021	59.5
105.52732	3.7
107.04929	15.2
107.08581	50.6
107.09787	4.0
109.02808	4.3
109.06503	13.9
109.10150	36.9
111.08083	4.6
115.49571	4.1
116.06200	4.6
117.07008	21.6
119.08564	53.8
121.06504	8.1
121.10105	36.1
123.00848	4.5
123.08054	5.3
123.11657	11.3
125.09633	9.1
127.03863	6.1
129.06961	11.2
130.25121	4.2
131.08539	30.1
133.10109	33.3
135.08003	8.5
135.11674	22.0
137.09570	8.4
143.08592	9.5
145.10107	33.2
145.98846	3.6
147.11623	20.8
149.09610	24.1
149.13248	13.8
151.14633	4.3
155.08565	4.1
157.10092	8.5
159.11644	18.5
161.13216	16.3
163.11131	11.9
163.14835	4.8
171.11696	9.2
173.04411	5.1
173.11804	4.0
173.13264	11.0
177.12746	5.1
183.11681	8.8
184.07281	12.6
185.13226	6.1
193.12192	5.1
227.12802	11.2
229.14336	13.4
239.17892	6.5
257.18997	13.0
261.22192	9.1
275.20026	64.7
293.20819	4.1
317.63739	4.7
335.25775	68.2
336.26028	6.6
343.22833	5.0
349.23682	36.1
432.79562	5.3
489.35477	10.9
497.01868	5.4
505.35239	7.1
609.45142	49.3
610.44556	6.1
627.45905	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	790.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01646	1.5
55.01867	12.5
55.05502	33.1
57.03157	2.8
57.03429	38.8
57.07691	1.5
61.02913	9.7
65.03923	7.1
66.86982	1.5
67.05494	93.2
69.03421	24.6
69.07057	61.0
70.06584	3.1
70.66148	4.4
71.01340	2.3
71.04980	26.4
73.02902	8.0
73.04456	1.5
73.06522	1.7
73.72132	1.5
79.05482	97.7
81.03403	86.9
81.07043	100.0
83.04965	30.5
83.08609	33.0
85.02895	39.1
85.06521	6.2
86.09658	2.0
91.03957	3.0
91.05464	96.0
93.07030	79.0
95.04955	52.1
95.08004	3.1
95.08594	41.1
97.02868	18.4
97.06514	88.6
97.10146	8.7
99.04435	7.5
99.08057	8.0
103.05430	3.9
105.04481	1.6
105.07012	63.0
107.04945	20.5
107.08566	34.9
109.02854	7.8
109.06505	28.7
109.10117	14.6
111.04433	5.7
111.08062	18.1
113.05989	5.5
115.05415	5.6
115.07546	26.0
117.07012	26.0
119.08569	42.6
120.08863	1.6
121.06480	12.4
121.10119	20.3
123.04399	3.7
123.08040	11.7
123.11679	6.1
125.09602	4.6
127.03867	9.3
127.07534	5.7
128.06206	6.0
129.06992	27.0
130.07706	1.8
131.04877	2.4
131.08539	38.6
133.06459	7.9
133.10104	34.2
135.08037	15.3
135.11676	8.6
135.32626	1.6
137.05922	2.8
137.09578	4.1
139.03879	2.4
139.07494	1.8
141.06932	3.6
142.07744	6.4
143.08568	11.6
145.05006	2.0
145.06400	3.3
145.10101	16.1
147.08095	12.1
147.11665	21.7
147.95386	1.6
149.09578	12.3
149.13188	8.8
151.07518	1.7
151.11147	4.1
153.09062	2.3
155.08546	4.0
157.06442	2.0
157.10092	25.0
159.08054	4.8
159.11662	13.4
161.09624	8.9
161.13222	4.1
163.07535	2.2
163.11116	7.8
165.12706	3.6
169.10088	5.7
171.08115	1.9
171.10384	1.9
171.11630	8.9
173.04500	5.9
173.09579	3.3
173.13252	3.7
175.11174	21.5
177.12755	7.7
183.11665	4.0
184.07341	4.7
185.09572	1.7
185.13223	5.5
187.11179	3.3
189.11209	4.0
189.12718	2.1
191.10628	2.2
193.12209	49.9
195.13808	5.6
197.13312	3.0
199.11055	2.3
199.14839	4.7
199.49640	1.6
201.12773	2.0
201.16493	1.8
203.14336	2.7
211.11206	3.6
211.13242	65.1
217.12343	1.8
217.15938	11.3
219.13936	2.7
221.15364	2.9
227.12665	3.7
227.17932	2.5
233.15353	4.9
235.16965	1.8
245.18976	2.9
251.16351	2.4
253.14282	5.5
255.17644	3.6
267.15851	26.3
269.17453	20.2
273.15381	2.0
273.18442	37.2
283.15451	2.8
285.16904	50.9
291.19485	20.4
307.19037	5.0
329.21173	3.4
347.22104	13.6
365.23160	10.0
461.28845	10.4
465.28830	5.0
479.29959	24.6
499.29977	3.8
505.31754	2.8
513.35406	2.3
517.31122	3.2
527.58398	1.8
533.31140	2.6
539.33344	4.2
557.34656	15.5
575.35565	13.1
593.36755	6.0
618.45941	2.0
737.39795	2.6
744.46033	5.6
790.46228	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	790.457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	17.0
55.05504	37.9
57.03154	2.5
57.03423	28.4
57.07059	4.7
59.04995	1.8
61.02908	6.4
65.03923	3.4
67.05492	100.0
69.03412	13.2
69.06683	3.0
69.07053	53.1
71.01325	4.3
71.04989	9.9
71.69839	2.3
73.02893	5.1
77.03908	1.8
79.05479	75.1
81.03400	62.9
81.07040	90.6
82.07341	2.1
83.04964	26.9
83.08603	30.3
85.02888	23.4
85.06519	6.1
86.09689	3.2
91.03928	2.1
91.05465	90.9
93.07029	72.9
95.04955	41.5
95.08588	49.6
97.02875	14.0
97.06507	25.7
97.10148	18.8
99.04438	3.4
99.08067	4.6
103.05430	2.7
105.04479	2.4
105.07013	63.4
105.07720	3.1
106.07314	1.5
107.04935	23.1
107.08575	42.3
109.02831	2.4
109.06490	11.5
109.10137	38.8
111.04412	5.7
111.08064	15.1
113.06033	2.6
113.09632	1.9
113.93180	1.5
115.05421	3.8
116.04707	2.1
117.06998	19.6
119.04903	2.6
119.08557	47.6
121.06507	8.6
121.10115	24.4
123.04391	3.0
123.08074	7.1
123.11641	3.8
124.99986	2.9
125.05949	2.0
125.09602	15.7
127.03887	3.1
127.07533	2.0
127.82009	1.5
128.06192	2.6
129.05475	9.4
129.06976	18.1
130.07806	2.7
131.08545	29.6
131.14705	1.5
132.27432	1.6
133.06451	6.1
133.10101	39.3
135.08032	10.0
135.11674	16.4
136.61362	1.6
137.09587	16.3
139.07570	2.0
139.11092	2.1
141.06961	2.7
142.07761	4.6
143.06982	1.9
143.08559	9.1
145.06461	3.2
145.10094	23.3
147.08023	6.3
147.11662	26.5
149.09592	27.8
149.13202	5.0
151.11142	7.2
153.09071	1.7
153.12723	2.7
155.08537	4.5
155.10648	2.6
157.08577	5.7
157.10094	18.7
159.08052	2.1
159.11644	17.1
161.09634	4.2
161.13264	7.7
163.11156	18.0
165.12677	2.6
167.08540	1.9
169.10091	4.1
171.10286	2.2
171.11661	6.9
172.03857	1.6
173.09602	2.4
173.11707	9.1
173.13246	7.4
175.11150	13.7
177.09061	1.5
177.12714	5.3
179.14261	4.4
181.12238	2.8
183.11621	2.0
184.07295	10.0
187.11229	1.7
187.14784	1.8
189.11186	4.6
189.12717	1.8
191.10603	3.1
193.12195	37.2
195.13777	2.4
197.13306	1.7
199.13242	5.6
199.14818	2.1
201.16397	1.8
209.11707	4.7
211.13235	32.8
217.15977	1.8
227.12749	12.6
229.14268	9.3
229.19377	2.5
239.17958	3.7
245.13792	1.9
247.20444	2.1
253.14301	9.8
253.17921	2.4
255.15919	3.1
257.18967	8.5
259.20435	7.7
267.13110	2.8
267.15814	21.7
268.16177	2.1
269.17413	9.2
273.18457	4.6
275.20020	33.2
283.15393	5.4
285.16910	25.5
291.19409	8.6
293.20984	3.1
299.14816	7.5
301.16473	17.4
331.22522	1.9
333.24200	6.8
349.23669	37.6
365.22937	4.7
381.22540	2.4
409.25449	1.8
421.25970	2.2
423.27313	3.3
439.26657	7.5
439.37405	1.6
463.30911	8.1
477.28296	2.9
495.29465	7.7
539.33514	2.6
541.35040	6.9
542.35156	2.0
557.34613	8.7
559.36230	23.1
575.35529	14.6
577.36597	2.0
593.36578	2.5
791.40887	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	790.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.9
55.05501	33.5
56.05809	1.8
57.03165	1.1
57.03428	16.1
57.07062	2.8
59.04988	34.3
61.02906	4.5
65.03918	5.5
67.05492	100.0
68.05825	2.0
69.03410	5.0
69.07055	19.3
69.85590	8.3
71.01331	1.6
71.04976	10.2
79.05476	45.4
80.05817	2.0
81.03409	7.8
81.07041	58.1
82.07353	2.4
83.04959	5.4
83.08606	14.4
85.02896	7.3
85.06516	4.2
87.04448	45.8
88.85699	1.2
89.06008	2.2
91.03947	1.4
91.05463	31.2
92.05737	1.2
93.07027	42.2
94.74673	1.2
95.04964	7.4
95.08589	36.2
96.08900	1.3
97.02871	3.9
97.06521	5.9
97.10143	15.0
98.20721	2.4
98.21343	2.3
99.04448	14.8
99.08132	1.4
101.05965	1.3
105.07001	18.7
107.04930	4.4
107.08572	27.8
108.08940	1.5
109.02827	1.7
109.06489	3.8
109.10132	53.6
110.10452	2.0
111.04450	1.8
111.08067	3.0
117.07019	8.9
119.08571	18.8
121.06497	2.3
121.10130	20.6
122.10577	1.2
123.08024	1.3
123.11668	3.3
125.09612	11.2
127.03866	1.5
129.06938	3.0
131.08539	11.0
133.10104	10.3
135.07999	2.1
135.11699	8.9
137.09612	2.7
145.10100	7.7
147.11703	7.9
149.09607	3.4
149.13277	6.9
153.12746	1.7
155.10558	1.7
156.99858	1.2
157.10269	1.8
159.08066	1.2
159.11687	5.6
161.13229	3.8
163.11186	3.9
163.14830	2.4
171.11674	2.2
173.04498	1.2
173.09528	1.8
173.11717	16.7
173.13225	6.7
173.36418	1.3
175.11136	1.2
175.14772	2.0
184.07208	2.6
185.13109	1.5
187.14760	3.4
189.11174	1.8
191.14209	1.4
195.13824	1.3
199.13231	6.3
209.11542	1.5
227.12737	5.5
227.20119	1.3
229.14299	32.3
241.14311	3.4
243.21097	3.4
257.13797	2.5
259.20419	2.0
261.22098	10.1
267.15964	5.8
275.20010	5.7
276.20389	2.1
289.21805	2.0
293.20990	1.4
315.17963	3.9
335.25735	49.6
336.26178	3.2
349.23880	3.5
350.23889	1.6
355.27408	1.3
363.25232	2.8
459.34366	2.1
477.35931	10.4
489.35651	37.8
543.36389	2.3
610.44769	4.0
621.95538	1.3
628.45941	2.6
639.10138	1.4
769.78369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.9
55.05501	33.5
56.05809	1.8
57.03165	1.1
57.03428	16.1
57.07062	2.8
59.04988	34.3
61.02906	4.5
65.03918	5.5
67.05492	100.0
68.05825	2.0
69.03410	5.0
69.07055	19.3
69.85590	8.3
71.01331	1.6
71.04976	10.2
79.05476	45.4
80.05817	2.0
81.03409	7.8
81.07041	58.1
82.07353	2.4
83.04959	5.4
83.08606	14.4
85.02896	7.3
85.06516	4.2
87.04448	45.8
88.85699	1.2
89.06008	2.2
91.03947	1.4
91.05463	31.2
92.05737	1.2
93.07027	42.2
94.74673	1.2
95.04964	7.4
95.08589	36.2
96.08900	1.3
97.02871	3.9
97.06521	5.9
97.10143	15.0
98.20721	2.4
98.21343	2.3
99.04448	14.8
99.08132	1.4
101.05965	1.3
105.07001	18.7
107.04930	4.4
107.08572	27.8
108.08940	1.5
109.02827	1.7
109.06489	3.8
109.10132	53.6
110.10452	2.0
111.04450	1.8
111.08067	3.0
117.07019	8.9
119.08571	18.8
121.06497	2.3
121.10130	20.6
122.10577	1.2
123.08024	1.3
123.11668	3.3
125.09612	11.2
127.03866	1.5
129.06938	3.0
131.08539	11.0
133.10104	10.3
135.07999	2.1
135.11699	8.9
137.09612	2.7
145.10100	7.7
147.11703	7.9
149.09607	3.4
149.13277	6.9
153.12746	1.7
155.10558	1.7
156.99858	1.2
157.10269	1.8
159.08066	1.2
159.11687	5.6
161.13229	3.8
163.11186	3.9
163.14830	2.4
171.11674	2.2
173.04498	1.2
173.09528	1.8
173.11717	16.7
173.13225	6.7
173.36418	1.3
175.11136	1.2
175.14772	2.0
184.07208	2.6
185.13109	1.5
187.14760	3.4
189.11174	1.8
191.14209	1.4
195.13824	1.3
199.13231	6.3
209.11542	1.5
227.12737	5.5
227.20119	1.3
229.14299	32.3
241.14311	3.4
243.21097	3.4
257.13797	2.5
259.20419	2.0
261.22098	10.1
267.15964	5.8
275.20010	5.7
276.20389	2.1
289.21805	2.0
293.20990	1.4
315.17963	3.9
335.25735	49.6
336.26178	3.2
349.23880	3.5
350.23889	1.6
355.27408	1.3
363.25232	2.8
459.34366	2.1
477.35931	10.4
489.35651	37.8
543.36389	2.3
610.44769	4.0
621.95538	1.3
628.45941	2.6
639.10138	1.4
769.78369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.7
55.05502	43.8
57.03157	1.9
57.03423	21.4
57.07060	4.6
59.04716	2.6
59.04993	38.7
61.02922	4.8
65.03932	3.8
67.05493	100.0
69.03412	5.0
69.07056	19.6
71.04981	13.7
71.08608	2.1
71.42461	2.0
72.65086	1.3
73.02913	2.1
79.05019	2.8
79.05479	57.4
81.03421	9.1
81.07041	69.7
83.04973	5.6
83.08602	16.5
85.02876	8.4
85.06511	3.9
86.09697	1.7
87.04449	56.5
91.05464	31.0
93.07027	49.7
95.04948	8.6
95.08588	42.8
97.02861	3.6
97.06514	4.0
97.10146	20.6
98.74590	1.5
99.04441	20.2
105.07005	16.4
107.04938	3.3
107.07903	3.0
107.08570	31.5
109.06490	5.5
109.10137	61.4
111.04429	3.0
111.08091	3.9
115.03894	1.8
115.89418	1.5
117.06986	8.7
119.08561	18.9
121.10124	21.0
123.08035	3.2
123.11699	4.0
124.99999	2.3
125.09595	15.7
127.03921	1.7
129.06979	2.5
131.08560	13.5
133.10086	10.2
135.08029	2.1
135.11665	12.1
137.09564	3.5
137.13316	1.8
143.10678	1.9
145.10097	9.7
147.11632	8.4
149.09613	2.7
149.13229	5.9
153.12715	1.9
155.10568	3.4
157.09993	1.8
159.11659	8.3
159.58397	1.3
161.13232	4.5
163.11151	5.0
163.14851	3.0
171.11644	3.0
173.11713	17.8
173.13219	5.4
177.12865	1.4
184.07324	5.6
185.13284	2.4
193.12202	3.0
199.13228	14.6
199.14867	2.0
216.09395	1.5
217.14359	3.0
223.13124	2.0
225.14709	1.8
227.12813	6.2
229.14317	44.9
231.82365	1.7
241.14328	5.9
243.21149	2.1
257.13742	3.3
259.20468	1.7
261.22089	14.8
267.15903	6.6
271.20401	2.1
275.20190	2.5
315.17996	9.2
333.18881	3.0
333.24396	2.3
335.25760	73.0
336.26028	2.2
363.25262	5.5
459.34406	3.5
477.35684	24.7
489.35699	44.1
517.35706	1.6
543.36475	3.6
575.39044	3.8
593.40472	4.3
610.45416	2.5
730.22870	1.8
799.77887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
55.05499	22.2
55.35213	1.3
56.80755	1.3
57.03426	12.2
57.07074	1.3
61.02888	1.8
65.03923	1.4
67.05494	52.2
69.03411	5.3
69.07063	14.5
69.37237	16.5
70.40644	1.3
71.04979	12.4
79.05482	47.9
81.03403	43.0
81.07045	53.9
83.04968	6.5
83.08604	16.1
85.02898	2.4
85.06527	5.3
91.05466	52.9
93.07031	52.7
95.04961	18.1
95.08590	26.9
97.02866	2.4
97.06513	5.3
97.10162	10.8
99.08086	3.0
103.03942	1.6
103.05467	2.6
105.07013	50.7
105.07722	2.9
107.04948	5.4
107.08580	28.7
109.06506	6.1
109.10119	12.8
111.04462	1.6
111.08076	4.9
113.09639	1.7
115.05459	2.6
117.06992	19.9
119.08560	35.5
121.06499	5.6
121.10131	22.5
123.08012	3.7
123.11694	3.5
125.09608	9.4
128.06210	4.3
129.06981	15.5
131.08546	27.4
131.09460	2.6
131.65863	1.4
132.22215	1.4
133.06468	2.9
133.10110	28.8
135.08063	5.1
135.11667	9.9
137.09639	2.3
141.06982	2.4
142.07759	3.2
143.08540	14.4
145.10104	24.7
147.08003	2.8
147.11664	17.4
149.09602	5.5
149.13281	3.9
151.11162	3.0
155.08546	6.5
157.10124	15.1
159.08055	2.3
159.11671	17.9
161.09641	1.9
161.13199	7.5
163.11159	3.3
163.14796	1.9
167.08479	2.6
169.10138	7.5
171.11621	11.6
173.09628	2.4
173.11823	2.7
173.13181	8.3
175.11166	4.4
175.14731	3.3
177.12756	2.2
181.10091	3.5
183.11641	6.8
185.09697	1.7
185.13234	7.3
187.11142	2.6
187.14832	4.0
189.11263	4.8
193.10312	2.1
193.12234	8.0
195.11728	4.4
197.13240	6.4
199.13161	2.1
199.14842	6.1
203.14305	2.2
207.11713	2.0
209.13249	3.5
211.14810	1.9
217.15865	2.5
223.14740	1.9
227.12793	9.3
231.21228	1.7
235.70370	1.5
239.17963	2.7
241.19566	6.1
243.15938	2.6
257.19067	2.6
259.20496	17.1
267.15881	20.3
269.17343	1.9
275.20068	3.9
283.20679	2.3
287.81317	1.5
299.23648	7.3
301.20074	4.3
315.23264	1.9
323.23270	1.6
331.22675	1.9
333.24280	12.4
349.23859	3.1
415.29831	3.9
421.25555	8.4
423.27515	2.3
433.31079	11.3
434.39273	1.6
435.27609	8.3
443.28372	1.5
449.29150	2.8
451.31927	12.9
463.30515	2.6
469.33008	5.2
471.31470	2.7
493.63025	1.7
499.34131	4.1
507.34500	6.9
517.35205	10.2
525.35620	54.3
543.36755	100.0
544.36871	5.4
557.38391	10.4
575.39325	18.6
669.39081	2.0
734.19781	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	790.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.3
55.05505	22.4
56.93111	0.9
57.03429	9.6
57.07058	1.5
59.04984	2.0
61.02905	3.6
65.03935	4.7
67.05495	76.1
68.05830	1.8
69.03415	6.8
69.07056	24.4
70.87952	2.7
71.01345	1.0
71.04980	29.5
71.05379	1.7
73.02894	2.9
73.06570	1.2
76.78603	0.9
77.03936	1.0
79.05481	44.8
81.03405	14.8
81.07044	100.0
82.07373	1.3
83.04977	11.4
83.08613	12.6
85.02884	4.2
85.06533	8.9
87.04416	1.2
91.03948	1.3
91.05462	47.1
92.05796	1.3
93.07028	40.3
95.04959	11.8
95.08588	24.4
96.08923	0.9
97.02882	4.9
97.06513	13.6
97.10147	8.4
99.04443	2.1
99.08074	3.1
101.05962	1.2
103.05470	1.2
105.04540	1.4
105.07014	32.5
106.07372	1.5
107.04953	6.0
107.08579	31.2
109.02831	1.2
109.06515	6.6
109.10133	13.1
110.02037	0.9
111.04444	1.5
111.08042	4.1
113.09652	1.8
115.05463	1.2
117.07009	15.3
118.06544	2.1
119.08567	21.1
121.06475	3.5
121.10138	13.4
123.08034	4.2
123.11683	12.9
125.09609	5.4
126.55942	0.9
127.03925	1.8
129.05473	1.8
129.06967	5.2
131.08553	17.3
133.06438	1.7
133.10115	31.7
135.08054	3.8
135.11667	11.2
137.09570	2.0
139.11041	0.9
142.07797	1.0
143.08531	3.6
145.06412	1.0
145.10097	10.2
147.11667	8.5
148.12041	1.2
149.09595	9.1
149.13231	11.0
151.11165	8.2
155.08601	2.8
157.10133	3.7
159.08095	1.2
159.11639	15.1
161.09599	1.5
161.13203	3.1
162.09142	1.7
163.04002	0.9
163.11171	4.8
165.12750	1.2
169.10031	1.6
169.12219	1.4
171.11659	2.4
173.04437	2.4
173.09619	1.0
173.11781	1.2
173.13214	3.5
175.11160	1.8
177.12718	5.5
179.14262	2.4
181.12148	1.1
183.11690	2.4
183.13800	3.1
184.07350	3.1
185.13181	1.1
185.89801	1.0
186.90187	0.9
187.11421	1.1
187.13255	6.0
189.11159	1.8
193.12201	1.6
195.13826	6.0
197.13214	1.3
213.12881	1.2
225.14848	3.7
227.12704	11.0
230.15414	1.8
231.15805	1.5
235.16876	1.0
239.17912	1.9
243.15865	4.1
251.16440	1.4
257.17087	2.2
257.19202	2.8
259.20529	1.2
267.15872	5.4
268.16232	3.3
269.17441	13.5
275.20032	21.0
276.20306	2.2
292.19131	6.7
293.19449	4.1
294.19556	2.4
301.16669	1.4
301.20026	19.8
331.22504	2.6
349.23676	16.2
350.24185	1.2
397.25470	1.2
407.29102	1.2
419.28055	1.3
423.27420	7.7
427.26953	2.2
431.02277	1.1
431.27960	1.3
435.31104	1.4
437.28912	22.7
443.78934	0.9
445.29410	2.4
449.28995	15.0
451.30496	7.1
455.29706	1.3
461.28961	1.2
463.30518	16.1
477.31995	2.0
481.31256	4.4
489.35287	1.2
495.33124	31.1
496.33231	1.4
499.33896	3.8
517.35168	36.7
518.35468	1.6
525.35083	1.2
531.36884	5.1
539.29004	1.2
541.34967	1.1
542.35376	4.0
543.36517	27.0
545.31262	1.2
561.37561	2.2
575.39343	17.0
581.33008	2.0
593.40454	2.1
607.34381	2.2
628.45349	1.2
639.37213	1.5
744.36133	2.4
745.35864	1.3
758.21783	1.2
790.50452	13.1
791.38623	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	790.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
56.05016	0.8
57.07060	0.2
58.06630	0.4
60.08155	6.6
67.05486	0.3
69.07065	0.2
69.41418	1.5
71.07360	3.6
81.07029	0.4
83.08591	0.1
86.09692	32.1
87.10030	0.3
91.05450	0.2
93.07019	0.2
94.66895	0.1
95.08592	0.3
98.97808	0.2
98.98450	3.9
104.10730	2.9
105.07032	0.1
124.99982	20.6
133.10187	0.2
143.01018	0.4
147.99435	0.2
166.02824	0.2
184.07314	100.0
185.07697	1.0
193.86336	0.2
275.20178	0.2
280.47650	0.2
329.48044	0.2
336.26041	0.2
381.91394	0.2
610.45197	0.2
690.47046	1.1
706.24988	0.2
772.53778	0.6
790.56128	1.9
791.56274	0.2
798.65472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.7
55.05504	14.5
57.03430	8.7
57.07065	5.7
59.04971	1.8
61.02913	9.7
65.03925	2.5
67.05492	24.1
68.99786	4.4
69.03415	48.8
69.07054	17.2
70.06582	17.2
71.04975	11.4
71.70263	2.4
73.02893	10.1
79.05479	15.8
80.05015	1.8
81.03405	53.6
81.07041	36.0
82.06581	1.6
83.01315	2.1
83.04984	5.3
83.08608	12.4
84.04498	1.4
84.08106	1.8
85.02889	100.0
85.06531	20.7
85.64915	1.6
87.00813	40.1
87.04463	3.6
91.03945	3.4
91.05460	18.9
93.07019	32.9
95.04943	16.6
95.08586	47.9
95.09193	2.5
97.02876	42.0
97.10143	6.2
99.04433	21.7
99.05034	2.0
99.08099	2.3
100.11248	8.4
103.03964	1.9
103.05421	2.8
105.01849	36.8
105.07011	33.2
107.04941	2.3
107.08572	47.5
108.04487	2.4
109.02863	53.9
109.06499	5.7
109.08966	1.6
109.10130	32.9
109.10866	2.0
111.04426	4.3
111.08080	2.8
113.09635	11.1
115.03900	5.7
117.01842	8.1
117.07007	6.3
119.08559	39.9
120.08102	1.9
121.06517	2.3
121.10123	63.0
123.04421	3.4
123.08085	4.7
123.11691	31.9
125.09626	6.8
127.03894	86.8
128.06210	1.8
129.01830	5.5
129.06941	3.2
131.08530	16.9
133.06471	2.2
133.10106	66.2
134.10445	2.1
135.08044	3.8
135.11668	49.4
137.06012	2.5
137.09599	6.4
137.13208	3.4
139.03903	2.4
139.11180	4.7
142.08662	2.1
143.08537	5.8
144.09329	1.9
145.04932	29.4
145.10106	36.2
147.02869	3.9
147.08043	1.6
147.11667	26.6
149.09586	3.5
149.13200	12.2
151.03920	2.7
151.07552	2.8
151.11137	5.5
155.08488	3.0
155.10649	8.2
157.10080	9.6
158.10863	5.2
159.02855	28.8
159.08015	1.6
159.11664	32.6
161.09596	2.0
161.13242	14.1
163.11148	4.2
163.14748	10.1
165.09102	2.0
167.07048	4.3
169.04915	2.0
169.10057	3.3
171.11671	8.5
172.12387	2.3
173.13232	44.9
174.13737	2.0
175.11247	2.7
175.14781	25.6
177.03918	1.9
177.09113	2.3
177.16382	7.1
179.10614	3.1
181.12277	2.1
182.15454	2.1
183.11717	2.0
185.13185	7.5
187.14806	31.1
189.03922	5.1
189.16394	5.2
191.14297	2.1
191.18022	2.0
193.12212	2.1
197.09534	1.8
197.13324	3.5
199.14897	4.6
201.16325	21.6
203.17923	19.7
205.15884	4.6
209.13342	1.9
210.14882	2.0
211.14854	2.0
213.03932	8.7
213.16328	2.0
215.17908	2.4
217.19466	2.0
221.11697	3.2
225.16301	2.1
231.04964	24.0
231.13910	2.3
241.19542	3.9
243.21063	64.2
243.23564	3.8
244.21399	2.4
245.22556	8.5
249.06099	5.1
253.19388	2.2
255.20995	5.0
259.20520	4.5
261.22104	73.1
262.22488	2.0
267.21091	3.0
271.20383	1.9
273.06052	5.5
273.22028	6.5
279.23276	3.0
285.22144	4.6
291.23227	2.0
296.18649	2.4
297.21866	2.4
303.23148	4.4
325.12964	2.1
327.23059	2.3
343.13684	3.3
351.23120	5.5
356.21115	1.6
369.14719	1.8
369.24200	6.0
455.24146	7.6
461.08777	3.0
473.25299	11.0
491.26160	15.3
509.27423	11.7
580.34827	10.7
679.50586	2.7
702.55908	1.7
742.39697	4.7
779.31787	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	792.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.1
55.05499	33.1
56.36917	1.5
57.03425	18.9
57.07047	2.1
58.70816	1.6
59.04989	3.0
60.59779	1.9
61.02916	3.6
65.03928	4.1
67.05492	100.0
69.03408	8.3
69.07060	27.0
70.06576	5.1
71.01372	1.9
71.04987	10.6
71.69282	2.6
73.02885	2.7
74.04388	1.6
79.05478	53.5
81.03402	78.5
81.07040	82.3
83.04964	22.0
83.08607	34.6
84.98650	1.8
85.02886	31.1
85.06519	4.8
87.04430	2.7
91.03930	2.6
91.05463	60.6
93.07026	55.3
95.04951	43.4
95.08586	36.6
97.02887	8.9
97.06501	11.7
97.10159	14.0
99.04434	3.1
99.08092	2.7
103.05461	2.7
105.07012	43.5
107.04943	14.6
107.08575	32.4
108.08904	2.0
109.02862	2.8
109.06490	14.1
109.10128	49.3
111.04414	2.7
111.05614	1.6
111.08062	11.6
113.05995	4.7
117.06997	10.8
117.07685	1.6
119.08560	39.3
120.08045	1.8
120.08894	1.7
121.06487	5.4
121.10117	19.8
123.04399	2.2
123.08045	7.1
123.11685	6.0
125.05946	3.3
125.09597	9.9
127.03884	2.9
129.05499	1.7
129.06981	17.7
131.08545	28.6
133.06471	4.0
133.10121	21.9
135.08022	4.8
135.11671	6.5
137.09610	4.3
139.03862	3.1
142.07756	4.5
143.08551	4.9
145.10097	13.2
147.08015	5.6
147.11652	24.0
149.09610	14.9
149.13229	9.1
151.11133	3.5
155.08502	2.6
157.10103	23.5
159.11659	8.1
161.13263	2.9
163.03851	2.4
163.11139	5.5
165.12737	7.2
167.07133	2.0
171.11656	4.5
173.09631	2.4
173.11708	13.7
173.13132	3.8
175.11133	17.5
177.12727	4.0
179.14386	2.8
189.11168	2.6
192.76190	1.8
193.12212	49.9
197.13237	2.2
203.14256	1.9
211.13263	55.7
227.12764	8.6
227.25536	1.9
229.14297	30.6
229.19438	2.3
239.17807	2.3
249.64098	1.7
257.18863	7.3
267.15866	30.5
269.17462	17.7
275.19998	27.8
285.16901	52.0
293.21088	3.5
331.22601	2.1
349.23697	25.1
367.24817	9.4
402.14749	2.3
421.25952	12.4
439.26816	76.5
440.27368	3.9
443.27905	3.0
449.29874	2.4
455.26669	2.6
461.28970	20.2
462.28992	3.4
463.30020	2.2
479.30017	59.8
480.30023	2.6
541.35132	20.9
559.36206	41.8
560.36414	3.3
577.37366	16.5
583.30774	4.9
623.33832	3.7
633.30084	1.8
649.03577	1.8
680.31866	2.0
750.95313	2.0
792.48260	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	792.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05502	16.7
57.03428	10.8
57.07055	2.0
61.02916	3.3
65.03931	3.5
67.05492	59.3
69.03400	1.5
69.07063	13.2
71.04965	1.7
71.08606	0.7
71.58990	1.2
73.02880	0.7
79.05481	37.5
80.05192	0.6
81.03388	0.8
81.07043	55.2
83.04948	1.9
83.08595	7.8
85.02873	3.1
85.06506	1.8
91.05460	22.2
93.07030	43.2
95.04961	4.8
95.08588	42.0
97.02867	1.5
97.06509	2.0
97.10162	2.8
99.08052	1.0
105.04456	0.6
105.07016	18.7
107.08572	22.0
109.06491	2.2
109.10137	18.7
111.08073	1.5
111.11711	0.6
117.07001	5.8
119.07735	1.0
119.08562	14.7
121.10122	18.8
123.08038	1.3
123.11675	7.9
125.09594	1.0
129.06978	1.6
130.07771	0.7
131.08548	10.0
133.10110	11.6
135.11667	14.0
137.09546	1.0
137.13226	2.3
143.08554	0.9
145.10107	9.5
147.11662	9.4
149.13231	6.2
151.14752	1.1
157.10126	1.9
159.11668	7.2
161.13228	8.4
163.14775	4.2
171.11646	2.0
173.13252	6.2
175.14821	3.3
177.12741	0.9
177.16389	1.5
185.13208	1.6
187.14810	3.4
189.16350	1.2
191.14211	0.7
191.17892	0.7
197.13181	0.6
199.14775	1.2
199.45386	0.6
201.16301	1.1
213.16440	1.1
215.17882	0.8
224.73415	0.6
231.21071	0.9
233.22554	0.8
235.25439	0.5
239.18054	0.6
240.53970	0.6
241.19540	3.6
243.21051	5.9
245.22601	0.6
259.20496	7.1
261.22113	18.6
262.22739	0.6
263.23734	1.8
273.22061	0.6
277.21616	0.7
279.23019	0.8
293.82709	0.6
299.23611	0.7
315.23209	1.2
317.24741	3.4
333.24149	5.5
335.25739	100.0
336.25961	3.1
337.27316	9.2
341.28116	0.6
355.29782	0.7
376.75821	0.6
491.98175	0.7
521.43225	1.8
539.43988	0.9
564.03546	0.6
595.47089	12.2
596.47607	1.1
613.48407	8.9
614.47662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.1
57.07065	7.6
58.06588	3.5
60.04507	1.3
60.08150	2.4
61.02915	2.0
65.03922	7.0
65.04202	0.9
67.05495	4.4
68.05024	1.5
69.07065	2.9
70.06583	100.0
71.07360	2.2
71.08617	5.2
71.31430	2.2
71.31781	1.3
77.68967	1.0
78.65637	0.9
79.05477	3.1
81.03406	2.0
81.07037	4.2
84.08154	0.9
85.02853	1.8
86.09694	14.9
86.37708	0.9
88.07622	28.0
91.05456	2.8
93.07032	3.0
94.07383	1.1
95.04945	1.4
95.08625	2.0
96.51836	0.9
97.02888	1.4
100.15072	0.9
101.07914	1.0
102.09169	20.8
105.06999	2.6
107.08575	2.3
109.10146	1.8
119.08520	1.8
121.02876	2.7
124.99997	9.9
129.06975	1.3
131.04903	1.0
131.08592	1.5
133.10190	1.1
135.11659	1.7
139.03909	4.6
145.10223	1.4
147.04378	2.0
149.02327	91.2
149.03407	6.0
150.02635	1.1
156.17519	1.3
157.10109	1.0
169.50810	1.0
175.03922	2.8
177.05437	2.7
184.07323	46.4
193.03168	2.5
193.04936	45.3
200.20074	74.0
201.20547	2.1
219.06546	2.7
237.07555	10.1
241.19139	1.0
244.22816	1.1
297.03897	1.2
329.38708	1.1
332.22800	0.9
341.06671	4.0
359.07629	1.4
385.09082	7.4
429.11697	2.3
577.13416	7.6
614.42395	2.1
621.15906	13.6
776.33099	1.8
776.49249	5.4
794.33533	70.1
795.34607	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	795.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.3
58.98899	0.6
61.02915	5.8
67.05489	7.0
69.03410	4.1
69.07049	2.6
70.06570	0.9
71.01337	0.9
71.04977	2.1
71.70313	0.9
73.02908	3.1
79.05479	5.7
81.03403	4.9
81.07040	6.0
82.07382	0.9
83.04939	1.5
83.08604	1.6
84.08149	0.7
85.02896	6.9
85.06572	0.8
86.09702	1.9
91.03961	2.7
91.05463	7.0
93.07037	4.7
94.06580	1.0
95.04954	3.4
95.08604	2.9
97.02866	5.4
97.06522	3.2
99.04469	1.4
101.02370	2.1
105.07002	3.5
107.04939	1.5
107.08595	2.8
109.02879	1.5
109.06512	1.2
109.10156	2.3
111.08073	1.2
117.06985	1.3
119.08536	3.3
121.06451	0.6
121.10141	1.6
123.08069	1.2
125.00064	0.8
127.03909	1.8
129.07024	1.1
131.08557	2.0
133.10152	2.1
135.11667	1.0
139.03920	1.9
142.07884	0.7
145.10063	0.8
147.11694	2.2
157.10097	1.6
163.03914	1.5
174.32274	0.7
175.11263	0.9
184.07332	4.2
185.07768	0.9
191.70515	0.7
193.12286	1.1
196.08307	0.7
203.05266	0.9
243.08426	2.2
251.12434	0.8
349.19781	5.2
436.27924	1.0
439.19196	0.8
469.20255	7.2
479.17355	0.8
567.27679	4.9
597.42072	1.0
615.43079	1.7
653.14575	0.7
667.32916	1.0
777.48859	1.5
795.41174	100.0
796.41382	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	795.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15910	1.4
57.07064	1.5
67.05474	2.8
70.06579	1.4
72.43049	1.4
79.05460	2.4
81.07054	2.5
87.04456	6.3
95.08606	3.2
97.02960	1.8
109.10215	1.5
115.44904	1.8
118.19037	1.5
139.03899	2.4
163.03954	3.2
182.31236	1.5
224.06187	1.6
241.04854	3.0
304.38477	1.7
313.27396	5.0
421.16815	2.0
424.88718	1.7
465.19095	10.1
466.18442	1.7
535.27313	2.1
759.42731	2.2
795.42780	100.0
796.43347	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	795.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.6
59.04996	0.6
61.02916	6.6
67.05498	6.2
69.03417	3.4
69.07062	1.7
70.06580	16.9
71.04967	3.9
71.06913	1.0
71.67503	0.7
71.67947	0.7
73.02901	5.0
74.86224	0.5
74.97507	0.6
79.05483	7.2
81.03400	3.4
81.07043	7.7
83.04972	0.9
83.08608	1.9
85.02893	6.2
85.06523	0.7
91.03942	4.7
91.05450	6.6
91.05866	0.5
93.07024	5.8
95.04941	1.4
95.08594	3.1
95.92511	0.5
96.18927	0.7
97.02883	5.8
97.06498	0.9
101.02348	2.8
105.07011	4.6
105.49878	0.6
107.04935	0.8
107.08574	4.5
109.10136	1.4
115.03928	0.7
117.07022	2.2
119.08596	3.0
121.10139	2.0
127.03916	2.0
129.07030	1.7
131.08548	2.0
133.10106	2.9
135.11642	1.4
139.03938	0.6
145.10063	0.7
147.11746	1.5
149.09608	0.8
151.11168	1.1
157.10143	1.1
159.11723	1.4
177.12787	0.8
185.04195	0.9
201.03703	0.8
233.15375	0.7
243.08368	3.1
247.13037	0.7
254.17635	1.4
264.55151	0.6
267.15710	1.3
283.15186	3.2
301.08838	1.1
323.18433	0.8
333.20447	1.6
381.18903	0.7
465.14810	0.8
465.20975	2.7
485.23599	5.2
501.22980	6.1
535.28601	4.6
551.28296	2.4
573.25555	1.2
632.45148	0.8
633.45410	1.9
709.37170	1.0
727.07611	0.7
778.51050	0.7
795.44781	100.0
796.45282	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.1
57.79088	0.1
61.02918	0.5
67.05489	0.5
67.79470	0.1
68.04705	0.1
68.05008	0.7
69.03422	0.2
69.07059	0.2
70.06578	100.0
71.04989	0.1
71.06296	0.1
71.06911	0.7
73.02904	0.1
74.23398	0.1
76.06129	0.1
76.82662	0.1
79.05489	0.3
81.03398	0.2
81.07054	0.3
83.04927	0.1
85.02902	0.2
86.09679	0.1
91.03960	0.2
91.05450	0.2
93.07050	0.2
95.08604	0.3
97.02892	0.3
99.83514	0.1
105.07024	0.2
107.08585	0.2
109.62132	0.1
121.10123	0.1
133.10094	0.1
184.07350	0.1
221.36896	0.1
228.95769	0.1
232.11879	0.3
335.25760	0.2
341.31766	0.1
383.06323	0.1
486.24161	0.1
497.31183	0.2
510.51022	0.1
616.45575	1.3
617.46204	0.1
709.73553	0.1
778.50873	6.2
779.51617	0.3
796.44788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54597	0.9
57.03418	2.4
61.02909	5.4
67.05499	6.3
69.03429	5.1
69.07063	2.1
70.88319	3.2
73.02913	4.1
79.05476	4.6
81.03409	1.6
81.07048	7.6
83.08607	1.4
85.02909	5.5
87.04456	1.2
91.03961	3.3
91.05482	2.7
93.07027	4.3
95.08600	5.3
97.02893	6.5
99.04449	1.6
101.02338	2.0
105.07046	1.3
107.08584	1.8
109.10133	2.4
119.08588	1.6
121.10139	2.2
123.34820	0.9
127.03909	1.7
130.59680	1.0
131.08534	1.0
133.10139	1.4
184.07307	1.3
243.08298	1.4
267.42654	1.0
335.25555	1.2
519.29218	19.8
528.07794	1.1
706.03802	1.1
797.51575	100.0
798.52820	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	802.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18699	0.2
67.05481	0.6
69.03413	0.7
69.07043	0.3
69.67733	1.6
70.06569	0.3
71.04989	0.3
79.05479	1.1
80.05016	1.2
81.03407	1.9
81.07039	0.5
83.04955	0.2
85.02898	0.6
89.66608	0.2
91.05457	2.3
93.07005	0.8
95.04943	0.8
97.02872	0.6
97.06519	0.3
98.20694	0.3
99.04444	0.4
99.22467	0.2
103.05451	0.2
105.07003	2.1
107.04923	0.3
107.08543	0.5
108.04446	1.0
108.05677	0.2
109.02863	4.9
109.06524	0.4
110.06010	0.3
111.04414	0.6
115.05414	0.2
117.06989	2.0
119.04910	1.0
119.08548	0.7
121.06451	0.7
123.04399	0.7
124.05182	0.2
125.05966	0.5
128.06200	0.3
129.06975	1.0
131.08540	2.0
133.06480	0.6
133.10129	1.1
135.04407	0.7
137.02290	0.5
137.05980	1.0
141.06979	1.1
142.07710	0.4
143.08543	3.4
145.06427	0.7
145.10088	1.6
147.04431	0.2
147.08022	0.8
149.07921	0.2
151.03896	0.5
153.07016	0.3
154.07719	0.5
155.08501	1.7
157.10126	2.9
159.08018	4.2
159.11670	0.8
160.08791	0.9
161.09596	5.4
162.10344	0.5
163.03857	0.3
163.07526	0.4
165.07034	0.7
165.09013	0.3
166.07722	0.4
167.07156	0.4
167.08530	5.6
168.09181	0.5
169.06451	0.3
169.10095	3.6
170.07271	0.2
171.08032	0.8
171.11652	0.4
173.09605	0.4
175.07489	0.2
177.09093	0.7
179.08522	0.7
180.09325	0.4
181.01373	0.2
181.10121	1.9
182.10831	0.2
183.08008	0.5
183.11612	1.0
185.09584	7.9
185.13205	0.3
187.07481	0.6
187.11121	1.7
188.08165	0.3
189.09143	0.3
191.08383	0.3
192.09294	0.3
193.10013	0.5
195.08026	0.5
195.11670	3.0
197.09621	0.6
197.13220	1.2
199.11168	0.5
201.08997	0.3
203.08804	0.3
203.10632	1.5
205.08528	0.7
205.10213	1.1
206.09346	2.9
207.09933	0.2
207.11630	1.1
208.08630	0.3
209.09601	0.8
211.11195	0.5
213.09142	1.3
213.12747	0.6
218.07401	0.3
223.11139	2.7
224.11476	0.2
225.09094	0.5
225.12720	1.5
227.10649	0.9
227.14258	0.3
231.10107	3.8
233.09503	1.0
235.11308	0.3
241.12149	2.3
249.11192	10.2
250.11606	0.3
251.10652	5.2
253.12169	1.0
255.10045	0.2
259.13452	0.2
269.11670	5.0
271.13205	2.7
279.10110	0.9
287.12674	1.5
289.14185	0.3
295.11703	0.4
296.12769	0.3
297.11151	5.9
298.11658	0.2
300.91705	0.2
301.14182	1.1
303.05219	0.2
303.15775	1.8
314.13757	0.7
315.12201	11.4
316.12607	0.3
319.15344	0.8
329.13855	1.1
332.14911	0.6
333.13266	13.9
334.13535	0.3
343.11700	2.1
347.10718	0.4
347.14835	6.8
360.14355	9.7
361.12653	2.5
375.14316	100.0
376.14606	3.4
378.15402	6.5
392.16986	2.0
410.18127	2.4
415.13297	1.1
416.13855	0.7
517.96863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03146	3.2
57.03422	26.8
57.07055	3.0
59.24075	2.2
60.00275	2.5
61.02916	9.5
65.03915	8.5
67.05493	100.0
69.03418	10.9
69.07059	22.4
71.04971	8.6
71.69868	5.3
73.02879	2.3
79.05479	68.9
81.03405	16.7
81.07043	82.8
83.04960	9.4
83.08615	14.1
85.02872	10.8
85.06528	16.7
91.03941	5.5
91.05468	73.8
91.06041	3.7
93.07022	70.2
94.07370	2.5
95.01331	3.6
95.04953	63.9
95.08585	47.0
96.05264	3.0
97.02874	9.5
97.06506	9.8
97.10136	5.4
103.05435	5.6
105.04509	4.6
105.07008	64.4
107.04942	22.3
107.08577	37.5
109.06497	61.0
109.10120	12.6
110.06826	3.2
111.04383	2.5
111.08031	4.0
113.05979	43.5
113.06719	3.1
115.05437	6.9
116.06224	2.3
117.06995	36.0
119.04955	3.4
119.08556	41.1
121.06497	11.3
121.10109	25.4
123.04420	9.8
123.08070	13.7
124.04847	2.9
125.09621	2.7
128.06224	7.0
129.06992	20.9
130.07799	4.0
131.08545	50.7
133.06487	7.0
133.10085	34.2
135.08014	42.5
135.11649	15.9
141.07014	11.1
142.07767	3.9
143.08511	24.1
145.06450	10.4
145.10094	42.5
147.08023	9.1
147.11655	21.1
149.09613	9.5
149.13251	8.5
155.08533	8.7
157.10088	21.3
159.08051	9.4
159.11670	37.3
161.09587	10.3
161.13168	13.0
163.11145	4.3
169.10022	10.5
171.11693	13.8
171.75005	2.7
173.09543	3.2
173.13211	14.1
175.11136	3.3
175.14767	7.2
177.12721	7.2
181.10156	6.2
183.11642	10.9
185.09473	2.8
185.13193	13.3
187.11143	8.5
187.14827	5.8
187.89439	2.2
189.16530	2.6
195.11626	4.1
197.13281	6.4
199.11241	2.8
199.14771	7.5
201.12666	3.4
201.16356	4.3
203.14429	2.5
205.12209	2.5
209.13246	4.4
213.12711	3.4
213.16364	3.2
217.15765	10.8
221.13213	2.6
223.14810	3.8
225.16408	5.6
227.18008	2.8
239.97346	2.5
241.14159	5.7
241.19476	6.1
249.16368	2.7
255.17377	4.0
257.19052	6.5
259.20569	13.8
273.18494	27.9
275.20053	6.9
279.15820	21.4
291.19473	64.0
297.16898	3.7
315.23090	7.0
327.16055	2.7
327.26904	7.9
328.15945	2.6
329.24222	2.8
333.24191	32.4
335.26114	3.7
336.26138	2.5
347.22025	8.5
349.23929	3.2
365.22998	13.0
401.00897	2.4
449.19290	2.4
450.19614	2.7
451.20102	4.8
513.36481	4.5
531.38159	6.9
543.36664	7.1
549.38867	3.4
565.38489	3.3
605.42023	17.1
623.42865	96.8
624.43066	9.9
641.43848	34.6
785.46832	3.2
803.45929	3.6
816.86255	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	803.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.5
61.02917	15.5
65.03938	8.8
67.05492	100.0
69.03418	26.8
69.07057	50.0
71.01353	4.0
71.04975	18.2
71.70345	2.9
71.70718	3.8
73.02905	8.9
77.03930	2.4
79.05019	4.5
79.05480	84.3
81.03405	34.8
81.07041	97.6
82.07402	2.4
83.04955	13.8
83.08601	21.0
85.02900	23.7
85.06540	7.8
91.03940	9.0
91.05462	82.6
93.07031	74.8
95.04949	23.3
95.08591	64.4
96.08914	3.0
97.02872	18.6
97.06518	34.3
97.10130	12.1
98.06072	3.1
99.04449	5.2
99.08058	15.6
101.02315	3.5
103.05458	3.2
105.07014	71.8
107.04940	18.4
107.08574	51.0
109.02866	5.1
109.06512	24.4
109.10146	30.7
111.04430	6.9
111.08083	9.0
115.05455	7.9
115.07572	9.3
117.06998	30.1
119.08560	58.2
121.06489	9.9
121.10117	30.1
123.04420	7.4
123.08061	12.1
123.11736	6.0
125.09608	9.4
127.03915	7.3
127.07570	6.5
128.06201	7.3
129.06989	23.3
130.07747	6.1
131.08556	43.0
133.06480	8.9
133.10103	45.2
135.08037	13.8
135.11653	15.2
137.05994	3.1
137.09602	10.9
139.03865	2.7
139.07495	2.5
141.06992	9.4
142.07785	5.9
143.08553	22.0
145.06462	7.5
145.10095	37.7
146.10538	2.4
147.08041	7.7
147.11670	25.7
149.09627	21.2
149.13252	9.1
151.11148	6.2
153.09100	4.4
155.08543	20.5
156.09216	2.8
157.10114	26.9
159.08054	7.0
159.11685	33.5
161.09596	7.1
161.13242	15.2
163.11133	9.1
163.14862	2.3
165.12764	3.4
167.08571	8.1
168.09392	2.4
169.10143	20.9
171.08101	3.1
171.11649	22.0
173.04510	3.9
173.09647	6.9
173.11905	3.8
173.13165	14.6
175.11148	5.0
175.14818	5.3
177.12732	7.2
179.08594	4.0
179.14255	5.5
180.09340	2.9
181.10129	12.3
183.08159	3.8
183.11688	14.8
185.09627	5.0
185.13219	12.2
187.11166	8.1
187.14870	5.5
189.11264	4.1
189.12761	6.1
191.14240	3.2
193.10110	4.7
195.11673	13.0
197.09596	3.3
197.13187	13.3
199.11197	5.0
199.14842	8.0
201.12776	4.5
201.16486	3.3
205.12297	3.2
207.11781	4.8
209.13300	8.0
211.11160	4.0
211.14813	7.2
213.12633	3.8
213.16455	5.2
215.14351	4.1
219.11633	3.1
221.13280	6.7
223.11115	3.2
223.14803	7.0
225.12642	2.7
227.12724	7.1
227.17972	4.6
229.14195	3.4
229.19519	3.5
231.17384	3.0
233.15428	3.3
235.14764	3.1
235.16876	2.5
237.16486	3.4
239.14354	4.2
239.17992	5.5
241.15936	3.0
241.19444	5.4
247.20525	3.7
249.16270	3.3
256.94165	2.7
257.18979	14.4
259.20636	5.8
267.15790	3.3
269.17441	4.7
273.18491	10.2
275.20035	49.4
287.19958	2.7
291.19537	11.4
293.21265	4.7
297.18353	3.4
297.21811	3.6
309.22055	2.9
313.21603	2.8
315.23209	3.1
333.24344	3.7
349.23804	25.1
411.81503	2.8
465.94305	2.5
513.36633	5.7
527.36786	3.8
531.38074	11.4
543.36462	3.9
549.39191	15.9
559.36121	3.6
567.40234	10.0
595.42987	4.1
605.42078	12.8
623.42853	63.5
624.43945	3.5
641.43982	61.9
749.45544	3.1
767.47400	3.6
780.98431	2.5
785.47980	6.7
803.49042	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	803.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	31.3
57.07060	5.8
61.02932	14.1
61.03181	3.6
62.16072	2.8
62.78359	2.4
65.03909	6.9
67.05494	92.8
67.29942	2.7
69.03416	22.1
69.07058	32.1
71.04982	17.2
73.02897	8.4
79.05480	81.2
81.03399	26.5
81.07043	100.0
83.04962	9.3
83.08599	16.7
85.02888	21.7
85.06512	14.2
91.03933	5.8
91.05460	80.0
93.07030	77.4
95.04949	25.4
95.08595	58.7
97.02867	24.4
97.06522	29.1
97.10146	10.4
98.20914	13.6
99.04422	7.3
99.08042	13.4
101.02353	3.3
103.05439	4.9
105.07017	71.9
107.04935	13.7
107.08574	45.4
109.02877	8.5
109.06503	49.6
109.10130	27.3
111.08064	9.6
113.05959	13.3
115.05400	7.6
117.06992	33.8
117.97803	2.7
119.08554	59.1
121.06463	8.9
121.10128	26.2
123.08046	12.8
123.11687	7.4
125.09605	11.7
127.03903	7.9
128.06186	11.6
129.06989	25.7
130.07765	5.5
131.08548	53.3
133.06477	6.6
133.10104	34.5
135.08014	23.2
135.11667	14.0
137.09615	9.9
139.11092	3.0
141.06966	11.5
142.07747	4.4
143.08536	29.5
145.06488	5.0
145.10129	39.4
147.08023	9.5
147.11644	20.6
149.09637	17.0
149.13234	9.9
151.11209	3.4
153.06911	2.7
155.08521	21.9
156.09250	3.2
157.10071	22.4
159.08049	8.2
159.11667	31.4
161.09576	11.9
161.13252	9.9
163.11198	8.1
167.08522	11.8
168.09303	5.5
169.10094	23.9
171.11635	20.9
172.12631	3.2
173.09584	8.3
173.11882	4.1
173.13100	14.1
175.11208	7.2
175.14825	7.9
177.12730	4.3
179.08467	6.4
179.14258	4.0
181.10030	17.6
183.11632	18.0
185.09558	3.0
185.13264	14.4
187.11176	7.8
187.14743	6.3
189.11223	7.0
189.12764	3.7
191.08536	2.7
193.10110	6.7
194.29886	2.4
195.11650	13.7
197.09740	3.1
197.13239	13.1
199.11163	3.1
199.14853	6.5
200.95786	2.9
201.07628	3.0
201.12701	3.9
201.16286	3.7
203.14349	5.4
203.17871	3.2
205.15799	3.2
207.11633	8.6
209.13248	10.7
211.11331	3.4
211.14832	5.7
213.12761	4.4
213.16348	3.7
219.11732	3.8
219.17422	4.6
221.13248	7.5
221.15268	5.1
223.14830	7.0
225.12729	3.2
227.12790	6.8
233.13156	3.3
235.14664	6.3
237.16388	6.0
239.18022	5.6
247.14784	4.0
252.65335	3.0
257.19016	7.4
259.20596	6.8
259.36215	3.3
263.17764	3.3
271.17023	4.6
273.18509	25.9
275.20068	31.4
277.21747	4.2
285.18759	3.0
287.20035	3.8
291.19501	10.4
293.21332	3.2
321.21936	3.2
333.24179	5.2
347.22208	17.2
349.23734	17.8
351.25375	8.9
377.28323	3.2
463.32440	3.4
485.32715	3.8
503.33093	3.4
513.36420	6.5
527.37677	5.7
531.38013	7.8
537.35675	4.8
539.37183	4.2
549.39075	6.2
551.36835	6.0
553.38678	4.3
557.37280	3.6
567.40051	6.8
569.38043	9.3
571.39532	4.0
605.41748	12.4
623.43030	54.3
641.43927	28.8
780.69952	3.9
785.47754	6.6
803.48920	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	803.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	21.8
57.07057	7.8
61.02911	15.7
65.15614	3.6
67.05139	7.4
67.05492	100.0
69.03413	19.8
69.07057	54.3
71.04976	10.8
71.67755	5.8
71.68125	4.6
73.02888	5.3
79.05479	95.6
81.03408	34.8
81.07043	99.8
81.45835	3.6
83.04958	12.3
83.08601	29.9
85.02888	15.9
85.06510	6.7
91.05463	80.3
92.78973	3.7
93.07030	73.2
95.04958	28.9
95.08576	58.3
97.02872	13.7
97.06506	17.7
97.10164	37.5
105.07020	76.3
105.36218	3.5
107.04932	15.6
107.08572	50.1
109.02862	5.6
109.06495	16.3
109.10136	29.2
111.04471	6.1
111.08084	7.7
115.05430	9.8
117.06991	41.2
119.08567	68.7
121.06496	7.7
121.10107	25.5
123.08046	14.3
123.11697	10.8
124.10926	3.7
125.09594	36.0
127.03892	8.3
128.06203	9.4
129.06989	22.7
131.08553	49.9
133.06461	8.7
133.10114	50.4
135.08038	16.4
135.11674	17.5
137.09612	9.6
141.06958	17.3
142.07802	5.2
143.08534	25.4
145.06447	6.7
145.10112	42.2
147.08044	11.8
147.11664	34.8
149.09579	9.9
149.13243	10.5
153.09016	4.4
155.08525	22.0
157.10114	28.9
159.08101	9.0
159.11652	29.4
161.09637	7.4
161.13229	18.2
163.11102	6.0
165.09097	5.3
167.08455	5.3
169.10103	21.5
171.11650	25.6
173.13264	18.1
175.11162	6.8
175.14827	9.4
177.12788	5.8
179.08585	5.7
179.69336	4.0
180.09286	4.3
181.10086	10.7
183.07999	3.7
183.11652	22.4
185.13202	14.9
187.14790	7.2
189.11188	14.1
189.12712	5.7
190.69363	4.6
191.14337	6.8
193.12207	9.4
195.11691	7.7
197.13206	16.2
199.14873	10.8
201.16290	5.7
209.13203	11.0
211.13242	9.4
211.14957	6.9
213.16428	5.6
221.13129	6.7
223.13148	6.7
225.16266	5.7
227.12723	25.7
235.14804	6.3
237.16315	6.7
239.18008	6.1
241.19452	14.0
241.21680	4.1
245.13570	5.1
257.19016	7.7
259.20538	27.8
267.15717	4.2
271.20590	4.2
273.18484	14.5
275.20081	18.4
285.22037	6.7
289.17621	3.9
291.19470	49.3
301.21390	4.9
333.24194	17.0
335.25824	14.9
347.21811	5.3
365.23242	11.8
367.22589	7.6
379.30118	6.6
397.31235	4.3
400.47031	3.9
511.34204	6.6
513.36139	5.9
525.35596	11.7
528.37177	6.4
529.35205	11.7
531.38116	6.6
543.36823	25.8
545.61096	4.1
549.38440	4.3
560.37402	4.3
562.99536	4.2
564.48523	4.7
597.37683	4.5
605.41681	28.4
623.42950	78.9
624.43274	8.1
641.43945	37.2
749.45862	8.8
785.48065	6.6
803.48730	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	803.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	13.7
57.07076	3.1
60.90009	3.6
61.02912	7.8
65.03913	8.3
67.05496	100.0
69.03416	22.5
69.07052	41.3
71.04983	11.7
71.69626	6.1
72.20599	3.6
79.05476	68.3
81.03403	42.3
81.07040	91.2
81.07481	7.2
83.04975	19.1
83.08613	23.1
85.02910	19.0
85.06533	6.6
91.04916	5.9
91.05469	80.6
93.07032	66.2
95.01339	5.5
95.04960	30.3
95.08594	56.7
97.02891	9.4
97.06517	38.0
97.10146	27.7
99.04442	4.0
102.92027	3.6
105.07013	84.2
107.04910	17.3
107.08591	43.0
109.02885	8.0
109.06512	10.1
109.10160	24.0
111.04346	4.0
111.08031	5.3
117.07005	30.1
119.08560	51.7
121.06486	5.7
121.10106	26.4
123.04433	6.2
123.08044	6.9
123.11726	6.2
125.09635	17.1
127.03947	7.6
128.06232	6.4
129.06987	18.0
130.07706	3.9
131.08549	45.5
133.06479	11.5
133.10101	51.1
135.08032	16.4
135.11684	13.3
137.09584	9.5
139.07515	3.4
139.36667	3.7
141.06990	7.7
143.08542	16.2
145.06482	5.5
145.10091	34.2
147.08000	9.4
147.11661	29.3
149.09625	12.2
149.13252	10.6
151.11191	4.8
155.08548	10.6
157.10139	19.7
159.11742	27.2
161.09517	6.4
161.13222	19.1
163.11220	8.4
165.12804	4.5
167.08554	8.2
169.10143	12.3
171.11615	23.5
173.04463	10.7
173.13225	14.9
175.07451	3.7
175.14804	8.3
177.12747	6.7
179.14256	9.5
183.11690	12.8
185.13274	10.7
187.11185	5.7
189.11209	11.5
189.12712	4.0
193.12244	7.6
195.11690	7.5
195.13899	3.3
197.13223	6.4
199.14819	8.4
201.12785	4.4
209.13266	6.8
211.13124	7.5
211.14963	4.8
213.16356	5.2
215.17920	4.8
221.13344	6.4
227.12613	16.7
239.17920	8.0
241.19481	12.0
257.19055	8.2
259.20593	15.2
267.15964	5.7
273.18463	14.4
275.20047	61.5
289.18246	5.6
291.19437	26.2
293.21094	5.6
301.21744	5.8
331.22495	4.9
333.24289	9.3
335.25769	6.4
349.23709	26.4
350.23682	4.3
365.23166	10.8
402.14694	3.9
413.21716	8.0
435.29730	3.7
454.50482	4.1
525.35864	8.8
529.35309	4.8
543.36823	34.5
549.39526	4.4
605.41541	10.8
623.42859	58.4
641.43744	25.9
687.40326	8.3
731.45435	4.5
744.29608	3.7
749.44818	4.2
785.48859	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	803.4923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	14.1
61.02917	5.2
67.05497	58.1
69.03415	12.1
69.07067	33.3
71.05000	5.3
77.68265	3.0
79.05482	60.7
79.19363	3.3
81.03414	26.3
81.07042	72.6
83.04959	11.7
83.08606	11.5
85.02902	7.3
89.27145	2.8
91.04915	5.8
91.05463	66.1
93.07033	54.9
95.01304	6.4
95.04971	20.0
95.08591	39.1
97.02891	7.9
97.05948	4.4
97.06525	52.1
97.10141	8.5
98.20954	18.4
99.77224	3.3
103.05467	5.3
105.07016	79.6
107.04950	21.0
107.08578	34.4
109.06491	10.8
109.10155	18.0
111.08072	6.2
117.06998	23.5
119.08561	37.9
121.06525	5.6
121.10129	16.3
123.08096	6.1
123.11691	3.5
125.09603	7.1
127.03891	5.4
129.05473	3.3
129.06989	9.5
131.08546	32.1
133.10117	50.1
135.08044	10.6
135.11670	12.6
143.08586	10.9
145.10104	24.8
147.08025	5.1
147.11687	18.0
149.09596	14.8
149.13168	6.2
155.08545	4.4
157.10094	8.7
159.11705	19.4
161.09630	4.9
161.13252	6.8
163.11189	7.7
164.77596	3.9
169.10023	5.3
171.11655	7.0
173.04329	6.0
173.13254	6.5
177.12709	4.1
179.14304	13.1
181.19200	2.8
183.11684	8.5
185.13304	3.7
187.11087	3.6
187.14804	5.4
189.11241	5.6
197.13237	4.4
198.58321	3.0
219.17433	4.1
227.12755	11.4
229.19514	5.7
229.41504	3.4
239.18089	4.2
247.20523	5.5
249.18976	3.1
257.18954	12.3
273.18402	5.8
275.20032	100.0
276.20395	4.0
291.19540	4.9
293.21051	9.9
312.43985	3.0
331.16040	3.3
335.25714	3.4
347.22220	3.4
349.23706	59.1
450.16800	3.3
498.22125	3.6
527.37354	6.4
543.36786	17.1
591.00824	3.6
623.43036	35.9
630.69904	3.2
641.43671	10.9
687.40509	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	804.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.0
61.02917	4.7
61.78125	0.6
65.03924	1.5
66.17551	0.8
67.05495	18.4
69.03407	2.2
69.07064	6.2
71.04980	1.6
72.79002	0.8
73.02900	1.9
77.64941	0.7
79.05480	15.7
81.03406	3.8
81.07045	17.6
82.07356	1.0
83.04977	2.1
83.08614	3.8
85.02893	5.0
91.03925	2.8
91.05466	16.7
93.07030	12.5
95.04951	4.0
95.08598	8.9
97.02876	3.0
97.06507	2.9
97.10149	3.1
99.04378	0.8
99.08005	0.8
102.21835	0.7
105.07011	18.3
106.07350	0.9
107.04926	2.8
107.08575	8.2
108.08909	1.0
109.06499	2.9
109.10140	4.7
110.10454	0.8
111.04358	0.9
111.08060	1.6
115.05421	1.0
116.06171	0.7
117.07020	5.6
119.08565	9.8
120.08882	1.2
121.06474	2.4
121.10134	5.7
122.10436	0.7
123.04500	1.2
123.08049	2.5
123.11709	1.4
125.09620	1.4
127.03896	1.3
128.06204	0.8
129.05492	0.7
129.06996	5.0
130.07753	0.7
131.08556	13.5
133.06490	1.6
133.10115	8.0
135.08040	1.9
135.11694	2.6
137.09572	1.3
141.07039	0.9
143.08527	5.7
145.06483	1.2
145.10106	8.3
147.08052	1.7
147.11659	3.1
149.09569	1.8
149.13268	1.0
151.11218	1.0
151.47253	0.7
155.08513	3.2
157.10100	5.6
159.08055	1.2
159.11649	3.5
161.09578	1.1
161.13237	1.4
163.05986	0.8
163.11195	0.8
167.08528	1.0
169.10118	3.0
171.11644	3.2
173.04500	0.7
173.09563	1.0
173.13246	1.5
175.11221	1.0
181.10074	1.7
183.11736	1.3
185.13197	2.3
187.11191	1.2
187.14713	1.7
189.11113	0.8
195.11705	1.7
197.13297	2.2
199.14870	1.2
201.12750	0.9
211.14827	1.5
213.12660	0.9
223.14845	1.0
225.16525	0.8
227.12607	1.1
229.81880	0.9
239.18105	0.9
257.19006	0.9
267.15726	1.4
269.17679	0.8
275.20074	3.2
276.20288	1.4
291.19656	2.6
325.25293	1.1
335.23474	0.7
343.26205	1.7
349.23941	0.9
350.24039	1.2
353.24799	3.2
365.23206	1.9
371.25870	3.9
389.26920	4.4
424.65479	0.9
427.27933	1.0
445.29456	100.0
446.29501	6.5
463.30499	21.4
464.30923	0.8
485.27213	0.8
539.34076	0.8
557.34552	3.1
624.43738	1.6
642.44440	1.2
650.41425	1.0
733.54724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	3.0
61.02917	4.7
61.78125	0.6
65.03924	1.5
66.17551	0.8
67.05495	18.4
69.03407	2.2
69.07064	6.2
71.04980	1.6
72.79002	0.8
73.02900	1.9
77.64941	0.7
79.05480	15.7
81.03406	3.8
81.07045	17.6
82.07356	1.0
83.04977	2.1
83.08614	3.8
85.02893	5.0
91.03925	2.8
91.05466	16.7
93.07030	12.5
95.04951	4.0
95.08598	8.9
97.02876	3.0
97.06507	2.9
97.10149	3.1
99.04378	0.8
99.08005	0.8
102.21835	0.7
105.07011	18.3
106.07350	0.9
107.04926	2.8
107.08575	8.2
108.08909	1.0
109.06499	2.9
109.10140	4.7
110.10454	0.8
111.04358	0.9
111.08060	1.6
115.05421	1.0
116.06171	0.7
117.07020	5.6
119.08565	9.8
120.08882	1.2
121.06474	2.4
121.10134	5.7
122.10436	0.7
123.04500	1.2
123.08049	2.5
123.11709	1.4
125.09620	1.4
127.03896	1.3
128.06204	0.8
129.05492	0.7
129.06996	5.0
130.07753	0.7
131.08556	13.5
133.06490	1.6
133.10115	8.0
135.08040	1.9
135.11694	2.6
137.09572	1.3
141.07039	0.9
143.08527	5.7
145.06483	1.2
145.10106	8.3
147.08052	1.7
147.11659	3.1
149.09569	1.8
149.13268	1.0
151.11218	1.0
151.47253	0.7
155.08513	3.2
157.10100	5.6
159.08055	1.2
159.11649	3.5
161.09578	1.1
161.13237	1.4
163.05986	0.8
163.11195	0.8
167.08528	1.0
169.10118	3.0
171.11644	3.2
173.04500	0.7
173.09563	1.0
173.13246	1.5
175.11221	1.0
181.10074	1.7
183.11736	1.3
185.13197	2.3
187.11191	1.2
187.14713	1.7
189.11113	0.8
195.11705	1.7
197.13297	2.2
199.14870	1.2
201.12750	0.9
211.14827	1.5
213.12660	0.9
223.14845	1.0
225.16525	0.8
227.12607	1.1
229.81880	0.9
239.18105	0.9
257.19006	0.9
267.15726	1.4
269.17679	0.8
275.20074	3.2
276.20288	1.4
291.19656	2.6
325.25293	1.1
335.23474	0.7
343.26205	1.7
349.23941	0.9
350.24039	1.2
353.24799	3.2
365.23206	1.9
371.25870	3.9
389.26920	4.4
424.65479	0.9
427.27933	1.0
445.29456	100.0
446.29501	6.5
463.30499	21.4
464.30923	0.8
485.27213	0.8
539.34076	0.8
557.34552	3.1
624.43738	1.6
642.44440	1.2
650.41425	1.0
733.54724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.1
57.03428	13.2
59.04971	1.4
59.73092	0.9
65.03922	1.6
67.05140	2.2
67.05491	38.2
69.03421	10.7
69.07055	28.0
71.04966	4.6
71.69980	1.5
73.02914	1.4
79.05478	36.6
80.05811	1.2
81.03403	79.2
81.07040	35.6
83.04967	9.6
83.08602	23.2
85.02892	2.9
85.06525	1.9
91.05463	35.8
92.05762	1.2
93.07030	27.7
95.04954	31.0
95.08588	15.2
96.05299	1.2
97.02876	12.5
97.06499	6.5
97.10152	16.8
99.08031	2.1
105.07005	25.9
107.04944	14.3
107.07896	2.0
107.08576	18.6
107.09252	2.1
107.44448	0.9
108.08891	1.4
109.06504	7.6
109.10130	13.2
111.04405	2.4
111.08089	7.2
115.05412	1.5
117.06987	11.4
118.07339	1.0
119.04948	2.3
119.08567	23.2
120.05677	1.7
121.06480	6.9
121.10119	13.0
123.04374	1.9
123.08028	5.2
123.11646	2.5
125.09608	11.8
129.06992	11.5
131.08546	18.1
133.06459	5.8
133.10101	13.6
135.07994	5.1
135.11653	4.1
137.05934	1.6
137.09578	4.4
141.06941	1.2
142.07765	2.4
143.08536	4.8
145.06445	2.0
145.10101	10.4
147.07990	7.7
147.11667	9.1
149.02301	1.7
149.09579	8.2
149.13261	1.3
151.11153	2.4
153.09113	1.6
155.08479	1.4
157.10118	10.6
159.08025	1.2
159.11653	3.6
161.09581	3.5
161.10942	1.0
161.13206	1.3
163.11157	3.3
165.09084	2.0
165.12724	1.5
169.10069	1.1
171.11656	3.0
173.13203	1.5
175.11147	7.6
177.12732	2.2
184.29840	1.0
185.13203	2.5
187.11003	1.0
189.11217	7.3
193.12206	17.1
195.13794	1.6
205.12186	3.3
211.13112	1.5
219.13770	4.9
221.15269	1.4
223.13249	20.5
227.12692	7.9
245.18880	1.7
249.14925	5.2
253.14287	6.9
267.15872	84.9
268.16199	2.3
273.18356	10.7
274.18692	1.2
275.19907	1.7
283.15378	1.1
291.19495	85.3
292.19858	3.0
313.21518	2.8
347.21967	2.7
365.23181	47.8
366.23630	2.9
375.49844	1.0
385.23645	2.7
445.25632	5.9
449.24460	1.1
459.27243	4.5
463.26761	1.7
465.29993	1.4
476.31235	1.3
477.28421	4.3
483.30856	2.0
529.35425	1.4
539.33673	7.5
557.34644	100.0
558.35089	9.3
575.35400	1.7
607.38019	1.3
794.83215	1.3
804.48572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.2
57.07056	3.4
65.03923	1.4
67.05498	12.6
69.03420	100.0
69.07053	2.6
70.03748	1.2
70.06557	1.5
71.01338	7.8
71.04982	15.9
71.70374	2.1
79.05497	7.0
81.03405	4.9
81.07043	33.2
83.04970	32.0
83.08613	1.8
85.02895	22.1
85.06529	19.4
87.00819	22.3
87.04462	3.4
91.05461	8.4
93.07031	11.8
95.04949	6.5
95.08588	8.6
97.02875	3.8
97.06540	2.4
99.04451	3.5
101.05995	3.4
103.05463	1.6
105.01848	19.8
105.07012	11.3
107.04933	1.5
107.08575	6.9
107.72289	1.1
109.02854	9.0
109.06505	2.6
109.10154	6.6
111.04432	41.8
115.05419	1.7
117.07034	3.0
119.08558	6.8
121.06486	2.0
121.10127	6.5
123.04407	11.0
123.08055	2.2
125.09605	5.0
125.51373	0.9
127.03904	5.3
128.06175	1.8
129.05461	81.7
129.06845	5.6
131.08556	8.7
133.10103	8.6
135.08037	2.4
135.11642	1.3
137.05966	2.1
137.09544	1.7
139.11108	1.6
141.06943	1.8
141.09091	3.2
142.07756	1.9
143.08556	10.0
145.04968	2.1
145.10086	10.5
147.08064	1.9
147.11661	5.1
149.09578	2.1
151.11186	2.3
152.30144	0.9
153.09088	0.9
155.08546	4.2
156.15858	1.0
157.10106	17.1
159.08052	1.0
159.11687	7.1
161.09543	2.2
161.13315	1.6
163.11165	1.9
165.09102	22.1
165.83746	1.2
167.08553	1.4
167.10692	3.0
169.10110	6.7
169.12256	1.2
171.11665	11.8
173.04291	1.1
173.13281	2.6
175.07516	1.1
175.11188	1.1
175.14839	1.0
179.10629	7.5
181.10101	2.7
181.12273	1.5
182.10933	1.8
183.11623	4.6
185.13272	3.3
187.14900	1.1
193.10074	1.5
195.11696	2.9
196.12492	2.3
197.13251	4.2
199.14879	1.9
203.14381	1.2
207.11794	1.5
209.13255	3.3
211.14804	15.3
213.16360	43.1
214.16748	1.9
215.05536	3.8
215.17946	1.8
221.13225	0.9
223.14876	1.3
225.16451	1.5
227.18019	1.4
229.15862	3.9
231.13741	2.0
231.17381	1.5
233.06532	25.4
235.14876	1.9
237.16318	3.6
239.17955	5.8
249.16408	2.5
251.17883	5.6
253.19543	14.5
255.17363	2.4
267.17297	1.3
277.19748	1.2
279.21054	4.1
293.22806	1.5
297.22012	1.3
309.22025	2.2
319.14569	1.0
365.24106	1.1
365.28262	1.7
375.26974	6.4
393.27814	64.8
394.27966	5.1
409.27402	2.6
411.28882	9.4
440.45090	1.0
505.71729	1.0
555.32898	1.4
571.32166	1.1
573.33679	1.8
761.40002	1.6
762.20593	1.0
787.39288	1.2
805.39917	8.6
806.39868	1.2
830.03644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	25.6
57.07061	2.7
65.03920	6.6
67.05496	77.6
69.03430	4.3
69.07058	16.3
69.69202	8.5
69.69610	2.9
70.08657	1.4
71.04961	4.4
79.05486	49.6
81.03391	4.2
81.07049	59.8
83.04986	3.7
83.08597	6.9
85.02879	2.0
85.06533	12.1
91.05468	40.6
93.07036	49.9
95.04957	64.8
95.08594	38.0
97.02911	1.9
97.06510	6.5
97.10172	2.4
97.22188	1.4
105.04487	2.4
105.07018	26.9
105.71211	1.7
107.04949	9.6
107.08588	28.9
109.06509	58.8
109.10143	15.7
111.08047	3.5
113.05998	28.4
115.05436	2.6
117.07000	12.3
119.08566	18.6
119.64251	1.5
121.06477	6.8
121.10126	13.6
123.04435	1.7
123.08065	2.8
123.11643	3.3
123.89176	1.6
127.07500	1.5
129.07025	9.0
131.08562	21.5
133.06493	4.7
133.10132	16.7
135.08041	45.9
135.09064	2.6
135.11673	9.6
137.05962	1.7
137.09605	1.6
141.06937	2.1
143.08528	8.9
145.06398	2.1
145.10121	15.0
147.08031	5.8
147.11632	5.3
149.09593	5.6
149.13240	5.4
155.08482	2.2
157.10092	6.7
159.08069	2.6
159.11670	8.4
161.09569	8.0
161.13245	4.5
163.11153	4.0
165.09111	1.7
169.10049	1.7
171.11676	4.8
173.13184	5.1
175.11200	3.2
177.12761	3.0
183.11667	2.2
185.13286	3.5
195.13673	1.6
196.51346	1.7
199.14758	4.4
201.12778	2.0
207.21431	1.5
217.15845	12.3
227.12747	1.9
233.15393	1.6
255.17377	3.8
261.21924	2.7
273.18472	37.4
275.20035	4.5
291.19501	100.0
292.19781	2.2
309.20587	2.4
335.25772	93.5
336.25955	2.7
347.22131	10.8
349.23703	2.3
365.23166	11.5
567.40179	3.1
607.43616	14.4
625.44592	61.7
626.44666	4.4
838.58392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	23.4
65.03925	6.7
67.05496	80.6
69.03418	4.4
69.07056	13.2
70.27254	4.3
71.04984	2.1
79.05484	48.9
81.03397	3.8
81.07048	57.2
83.04964	2.8
83.08601	5.7
85.02879	1.5
85.06536	13.3
86.09695	3.4
91.05463	35.0
93.07030	48.0
95.04955	65.8
95.07999	2.6
95.08594	35.6
97.06503	5.6
97.10155	4.1
98.21452	2.3
103.05463	1.9
105.07006	23.9
107.04935	11.9
107.08578	29.9
109.06505	60.5
109.10131	12.7
111.08054	4.2
113.05987	28.9
116.06239	1.6
117.07002	15.0
119.08557	18.2
121.06486	6.0
121.10118	11.2
123.08070	6.0
123.11700	3.3
127.03890	1.7
128.06198	2.7
129.07002	7.1
130.07735	1.6
131.08546	21.6
133.06441	3.0
133.10097	9.0
135.07033	3.0
135.08031	42.2
135.09064	2.1
135.11659	10.0
137.05989	1.3
137.09628	2.1
142.07758	2.5
143.08537	10.2
145.10114	14.4
147.08026	7.2
147.11685	5.6
149.09608	5.9
149.13229	4.3
155.08517	1.5
157.10106	5.3
159.08083	2.2
159.11667	8.2
161.09612	8.4
161.13290	1.9
163.11159	3.6
169.10060	3.3
171.11682	3.3
173.13242	3.3
175.11134	3.6
177.12695	3.8
183.11719	1.8
184.07326	7.7
185.13281	1.9
189.12639	2.0
199.14772	3.7
203.14299	1.6
217.15825	14.2
237.16302	2.3
243.20825	1.4
245.18867	2.2
247.67032	1.4
252.10475	1.7
255.17436	4.4
261.22104	2.2
273.18454	34.3
291.19507	100.0
292.19931	2.1
309.20468	3.3
335.25754	87.5
336.26068	2.7
347.22302	7.7
365.23157	15.4
381.77118	1.6
567.40338	2.7
607.43341	14.1
625.44537	57.7
626.44830	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	805.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79498	2.2
57.03425	42.0
57.07065	3.7
61.02910	13.5
65.03914	2.5
67.05140	4.2
67.05495	84.0
69.03406	18.0
69.07058	31.6
70.03280	9.6
71.04987	12.2
73.02901	9.0
79.05018	4.5
79.05478	70.8
81.03406	18.4
81.07042	87.3
83.04957	10.0
83.08595	11.1
85.02891	26.5
85.06529	11.5
86.09700	4.1
91.03936	7.3
91.05465	52.2
93.07024	71.1
95.04945	23.0
95.08592	51.9
97.02870	17.2
97.06517	23.2
97.10126	4.4
99.08079	100.0
103.05430	2.8
105.07018	37.6
107.04945	26.1
107.08572	38.0
109.02925	3.3
109.06506	21.8
109.10137	19.2
111.08058	10.1
115.05445	2.8
115.07551	5.9
117.07005	19.0
119.08559	35.5
121.06472	8.0
121.10129	25.9
123.08023	11.0
123.11691	3.8
125.05991	2.8
127.03901	5.0
127.07535	41.8
128.06207	3.7
129.07007	11.0
130.07759	3.2
131.08533	27.6
133.06500	6.4
133.10118	25.1
135.08022	10.2
135.11662	15.2
137.09599	6.4
143.08539	14.2
145.06456	5.3
145.10104	17.5
147.08044	10.3
147.11665	19.1
149.09622	15.4
149.10675	2.7
149.13248	7.9
151.11157	4.0
155.08531	4.9
157.10086	14.1
159.08067	4.2
159.11626	15.8
161.09570	8.8
161.13234	5.5
163.11127	7.0
165.09088	3.3
167.08681	3.1
169.10141	5.1
171.11697	9.2
173.09573	6.1
173.13206	7.6
175.11124	7.7
175.14771	3.3
177.08998	3.2
179.10663	7.8
181.10072	3.6
181.12228	2.5
183.11649	3.4
184.07333	10.9
185.13203	4.0
187.14743	2.8
189.12619	4.7
199.11169	4.2
201.12778	6.6
203.14290	4.7
211.14897	3.3
217.15810	15.7
219.13783	6.5
221.15440	5.5
229.93315	2.6
237.16405	5.3
245.18965	4.5
255.17445	8.0
259.20654	2.8
261.22272	5.5
273.18436	49.0
274.18826	3.2
275.19910	4.8
291.19525	55.4
293.21222	4.2
301.44794	2.7
325.17545	2.9
335.25757	76.4
336.26117	3.6
347.22232	11.3
365.23157	27.4
366.36768	2.7
407.24097	3.3
529.38342	3.2
533.39899	2.8
574.78625	3.1
607.43048	9.5
625.44543	32.1
643.45471	63.0
805.49902	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	806.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	4.8
57.07057	1.6
60.66138	1.7
65.03925	3.1
67.05495	45.3
69.07050	21.0
69.90945	4.6
69.91357	4.9
73.28967	1.6
79.05480	29.7
79.25663	1.6
81.03396	4.5
81.07040	50.5
83.04971	3.0
83.08602	6.9
85.06548	1.7
88.88789	1.6
91.04919	2.5
91.05466	35.4
93.07030	37.9
95.01325	3.6
95.04961	7.5
95.08588	33.4
97.06509	14.2
97.10143	3.1
98.21579	1.8
105.07011	48.5
105.07713	2.9
107.04939	10.0
107.08572	16.9
109.06519	3.9
109.10143	11.5
117.06992	9.2
119.08573	26.9
121.06505	2.3
121.10132	12.0
123.08049	2.7
125.09540	2.5
129.06931	1.6
131.08528	14.9
133.10106	23.6
135.08018	1.8
135.11670	6.6
137.09622	2.0
137.13332	1.7
143.08557	3.7
143.20050	1.4
144.64761	1.5
145.10123	11.1
147.11674	8.2
149.09592	3.6
149.13297	2.8
159.11670	8.6
161.13235	4.8
163.11159	2.1
168.50552	1.5
171.11768	1.9
173.13281	3.1
177.12691	1.8
179.14285	7.5
184.07356	2.5
205.55434	1.5
219.17415	6.0
234.28319	1.7
257.18903	4.2
261.22058	2.0
275.20007	41.0
293.21115	4.5
317.90219	1.8
328.02155	1.9
335.25754	67.2
349.23697	17.1
412.74017	1.7
481.34436	1.7
609.45013	100.0
610.44855	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	807.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	7.9
57.07060	1.7
59.04988	0.5
61.02907	1.0
61.65211	0.3
65.03920	0.6
67.05496	9.1
68.99786	0.9
69.03416	7.5
69.07051	1.7
71.01345	0.7
71.04980	40.3
72.05319	0.4
73.02911	2.2
75.04472	1.9
79.05474	5.2
81.03409	6.3
81.07045	8.9
83.04973	6.7
83.08606	1.2
85.02891	69.1
85.06530	9.0
86.03238	0.6
87.00806	4.8
87.04438	1.9
91.05461	7.9
93.07028	8.5
95.04941	2.4
95.08589	4.9
97.02879	4.4
97.06530	0.7
99.04429	4.0
101.05991	0.5
103.03938	1.3
103.05449	0.5
105.01144	0.3
105.01847	8.0
105.07011	10.8
107.04954	0.6
107.08575	6.5
109.02861	8.1
109.06511	0.9
109.09405	0.4
109.10143	7.0
111.04423	6.8
111.11694	0.3
113.05997	0.5
115.03867	0.4
115.05431	0.8
117.01844	0.5
117.05552	0.3
117.07012	3.6
119.08556	6.4
121.06520	0.6
121.10125	9.5
121.10969	0.5
122.10576	0.3
123.04400	0.6
123.08071	0.5
123.11671	1.5
125.02331	0.4
125.05963	0.5
125.09621	1.5
127.03902	14.4
128.06174	1.9
129.01813	1.1
129.05457	18.1
129.06917	4.4
130.07686	0.4
131.08546	8.9
133.10112	10.1
135.04379	0.6
135.11635	2.1
139.03918	0.3
141.06972	1.9
141.09074	3.0
142.07759	4.6
143.07411	0.5
143.08540	9.9
143.10571	0.8
144.09326	0.9
145.04942	4.1
145.10103	10.9
147.02859	1.3
147.06482	3.5
147.11662	17.9
149.09648	0.5
149.13246	1.9
151.03885	0.5
151.11102	0.4
153.05495	0.6
154.07803	0.3
155.08533	3.3
156.09372	0.7
157.04980	0.6
157.10101	22.8
158.10487	0.6
159.02840	2.7
159.11665	14.8
161.13274	2.5
163.11143	0.5
165.09116	0.8
167.08530	0.5
167.10640	0.6
168.09358	0.8
169.04982	0.4
169.10127	2.8
171.02904	0.8
171.06454	0.6
171.11659	10.0
171.13052	0.6
172.12068	0.4
173.04456	0.8
173.13222	4.2
175.11197	0.5
175.14793	0.6
180.90062	0.3
181.04778	0.4
181.10110	1.1
182.10909	0.7
183.11676	5.1
185.13243	3.7
186.13934	0.4
187.14723	0.7
189.03932	3.7
190.06970	0.3
191.06981	0.4
193.12164	0.4
195.11723	1.0
196.12511	0.8
197.13242	6.0
198.13840	0.4
199.14720	1.5
209.13271	1.3
211.13141	0.5
211.14815	3.4
212.15549	0.4
213.03867	3.6
213.07533	0.4
213.16359	0.8
215.05441	1.0
215.17911	0.4
223.14799	1.0
224.15591	1.3
225.16341	2.4
229.19460	0.9
231.04979	6.5
231.08536	0.5
233.06494	0.8
235.14853	0.4
237.07545	2.3
237.16391	0.4
238.17216	1.7
239.17627	0.7
249.06076	2.3
251.17947	4.6
253.19476	100.0
254.19887	3.4
255.08607	1.7
255.21013	4.6
263.17795	0.3
265.19379	0.8
269.18930	1.0
271.20508	6.5
273.05969	0.9
275.07449	0.6
277.19434	0.6
279.20941	0.4
281.22522	1.7
295.20508	1.1
311.23709	0.4
313.21539	0.8
315.10684	1.0
341.08572	1.4
359.09827	1.6
363.22748	0.4
377.10663	0.9
377.28384	2.0
381.24295	0.7
395.29398	6.5
399.25229	4.0
413.30396	0.5
417.26691	0.5
483.23401	0.5
501.24683	1.1
517.24133	0.4
519.25995	2.0
665.31482	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	807.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.0
57.07064	2.0
59.04984	0.8
61.02914	1.3
63.00491	0.5
65.03947	0.6
67.05495	11.5
68.99782	1.3
69.03421	10.1
69.07058	2.9
70.06579	2.3
71.01361	1.2
71.04981	37.6
73.02914	2.5
75.04475	1.7
78.84452	0.5
79.05476	7.5
81.03411	8.3
81.07041	11.2
83.04969	7.1
83.08600	1.9
85.02891	67.5
85.06522	10.9
86.03264	0.5
86.06023	0.7
87.00804	6.8
87.04447	2.2
91.05464	8.2
93.07032	11.5
94.07329	0.5
95.04968	3.3
95.08586	6.9
97.02880	6.7
97.06503	1.6
97.33365	0.6
97.72054	0.5
99.04438	3.6
99.39384	0.5
101.05994	0.8
103.03919	2.2
105.01848	9.9
105.07011	10.1
107.04948	1.1
107.08578	7.9
109.02854	11.4
109.06466	0.7
109.10137	7.9
111.04426	7.8
113.02394	0.6
113.06007	0.9
115.05407	1.6
117.01868	0.7
117.05376	0.5
117.06989	4.5
119.08562	6.5
121.06432	1.4
121.10127	11.4
123.04400	1.0
123.08048	0.8
123.11703	1.7
125.09624	2.3
127.03895	18.2
128.06203	1.9
129.01770	1.2
129.05458	15.6
129.06949	5.1
130.07790	0.6
131.08539	9.4
133.10107	11.3
135.11682	3.6
137.05980	0.6
137.69841	0.5
139.03925	0.5
141.06966	2.1
141.09071	4.9
142.07761	4.2
143.08543	10.8
143.10681	1.0
144.09207	0.5
145.04918	4.6
145.10106	10.8
147.02881	1.6
147.06503	3.5
147.11668	20.1
149.13219	1.4
151.03899	1.1
155.08484	4.3
156.09378	0.7
157.10100	25.5
159.02835	2.7
159.11673	14.5
161.09535	0.8
161.13219	3.3
163.11134	0.5
165.05608	0.7
165.09070	1.0
167.08542	0.5
169.10149	2.5
171.02792	1.0
171.06497	1.1
171.11661	10.6
173.04433	1.3
173.13205	4.9
175.14841	0.6
181.10103	0.9
183.11656	4.1
185.13190	3.2
187.14742	0.9
189.03946	4.2
191.06976	0.6
193.04933	0.8
195.11653	0.6
196.12387	0.9
197.13226	7.2
199.14780	1.4
207.11781	0.6
209.13251	1.7
211.14806	3.8
212.15450	0.6
213.03888	3.2
213.07513	0.7
213.16434	1.0
219.06589	0.7
223.14902	1.1
224.15617	1.0
225.16322	2.3
229.19394	0.6
229.31352	0.5
231.04973	7.6
231.08537	1.0
233.06577	1.1
237.07588	2.5
238.17123	1.5
249.06085	2.7
251.17900	3.1
253.19479	100.0
254.19923	2.7
255.08649	1.9
255.21011	4.8
271.20508	6.3
273.05991	1.4
275.20197	0.8
279.20660	0.6
281.22641	1.5
289.19479	0.7
315.10782	1.1
341.08514	1.5
359.09592	1.8
377.10681	2.0
377.28336	1.9
381.24039	0.7
395.29367	8.0
399.25272	3.6
483.23840	0.9
501.24557	1.0
517.24139	0.7
519.25647	2.1
527.76135	0.6
628.49298	0.5
665.31122	2.6
758.82483	0.5
787.73584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	12.1
57.07077	1.3
59.05022	1.9
61.02922	1.4
65.03932	1.9
65.60876	1.0
67.05493	25.6
68.99766	1.5
69.03416	12.2
69.07063	4.2
70.06580	2.3
71.01381	1.3
71.04982	57.2
71.45743	2.5
73.02917	3.5
75.04491	3.4
79.05481	12.5
81.03400	9.5
81.07047	16.3
82.07343	1.1
83.04966	11.7
83.08614	3.0
85.02892	91.0
85.06528	4.8
86.09698	1.5
87.00822	6.2
87.04463	2.2
91.05464	16.0
92.76604	1.0
93.07040	13.2
95.04957	11.8
95.08587	8.4
97.02870	6.2
97.06520	3.3
99.04433	6.2
103.03979	2.2
105.01859	8.8
105.07003	16.9
105.07616	1.3
107.04965	2.4
107.08573	13.7
109.02861	11.6
109.06535	2.2
109.10128	14.2
111.04421	9.5
111.08075	1.7
113.05988	8.9
115.05531	1.2
117.06983	6.1
119.08570	8.2
121.06505	1.8
121.10127	15.8
122.60512	1.0
123.04469	1.5
123.11746	1.9
127.03899	23.1
128.06229	3.8
129.01796	2.0
129.05461	21.0
129.06944	7.1
131.08548	14.3
133.10109	17.5
135.08128	1.5
135.11719	3.8
135.89517	1.1
136.06152	6.4
139.03929	2.0
141.07005	3.2
142.07742	7.8
143.08533	13.0
144.09314	1.5
145.04947	4.9
145.10075	13.6
147.02908	1.7
147.06544	4.5
147.11668	23.9
148.12108	1.3
149.13303	3.4
155.08501	4.9
157.10104	40.4
158.10674	1.1
159.02939	3.5
159.11650	14.2
161.13268	2.8
163.11208	1.8
167.07010	1.1
169.10179	3.4
171.11668	12.0
173.13181	5.8
181.04941	1.5
183.11665	6.0
185.13330	4.7
189.03961	4.2
190.48016	1.1
195.11610	1.8
196.12466	1.2
197.13229	8.7
199.14761	1.4
209.13281	2.0
211.14868	4.2
213.04013	3.4
224.15570	2.5
225.16345	2.6
231.04990	7.8
231.08618	1.7
233.06618	1.7
238.17166	2.7
249.06151	3.6
251.18016	3.4
253.19481	100.0
254.19914	4.0
255.08780	1.6
255.21240	2.4
271.20517	6.9
273.06223	1.5
283.24304	1.1
295.20865	1.2
315.10742	2.6
316.81631	1.1
359.09848	3.2
365.28592	1.2
377.11063	1.8
377.28323	1.3
389.00543	1.1
395.29660	3.6
399.25320	2.5
425.37363	1.1
519.26215	2.4
665.31470	3.1
763.42529	5.4
784.99030	1.2
807.41565	36.0
808.41730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03154	0.7
57.03424	10.1
57.07068	1.1
59.04985	0.8
61.02912	1.7
64.89560	0.4
65.03931	2.0
67.05493	19.3
68.99782	0.6
69.03416	12.6
69.07052	1.8
70.50127	1.1
70.50530	0.8
71.01333	1.2
71.04980	57.3
72.05303	0.4
73.02887	2.1
75.04474	3.5
79.05481	6.4
81.03409	7.7
81.07045	10.4
83.04503	0.9
83.04967	10.2
83.08612	1.2
85.02889	93.4
85.06516	3.9
86.03248	0.5
87.00808	6.4
87.04436	2.2
88.67830	0.4
91.05465	8.9
93.07025	10.5
95.04956	10.3
95.08585	6.8
97.02874	5.8
97.06522	1.1
99.04440	3.9
101.05985	1.0
103.03933	1.6
105.01853	8.2
105.07011	13.9
107.08574	9.9
109.02852	10.0
109.06529	0.5
109.10137	10.4
109.10875	0.6
111.04430	9.0
111.08075	0.9
113.05988	8.7
115.03883	0.5
115.05424	0.8
117.05544	0.5
117.06979	4.1
119.08556	7.2
121.10123	15.2
123.04408	0.8
123.08126	0.8
123.11685	2.5
125.09625	0.7
127.03897	15.9
128.06229	1.7
129.01855	0.6
129.05463	26.9
129.06914	4.6
130.07776	0.7
131.08545	9.4
133.10103	13.4
135.11684	2.8
136.07565	0.6
139.03839	0.6
141.06952	2.3
142.07741	6.3
143.08534	10.7
144.09311	1.1
145.04942	5.8
145.10101	13.1
147.02908	1.2
147.06508	5.2
147.11659	21.6
149.09546	0.6
149.13202	3.0
151.03796	0.9
155.08531	3.4
156.09267	0.6
157.10101	33.0
158.10629	0.5
159.02856	2.7
159.11668	16.7
161.13225	3.7
167.08507	0.6
169.04997	0.6
169.10100	3.8
171.02861	0.6
171.06570	1.2
171.11667	10.9
173.04404	1.1
173.13261	4.8
175.11157	0.5
175.14856	0.6
181.04822	0.6
181.10144	0.8
182.10857	0.6
183.11667	4.8
184.76584	0.5
185.13223	3.8
187.14806	0.7
189.03905	3.6
191.06972	0.6
193.04919	0.5
195.11734	1.2
196.12373	0.9
197.13228	7.1
198.13969	0.5
199.14790	1.6
201.16370	0.5
209.13254	1.5
211.14775	6.2
212.15314	0.6
213.03915	3.1
213.07512	0.7
213.16293	1.0
215.05545	2.0
223.14841	1.8
224.15591	1.6
225.16429	2.9
227.12837	0.5
231.04968	7.1
233.06578	2.8
237.07503	2.3
237.16403	0.6
238.17203	1.9
241.10754	0.5
249.05995	3.5
249.16743	0.6
251.17896	3.9
253.19470	100.0
254.19765	2.3
255.08693	1.8
255.20982	2.9
265.19501	0.7
269.19052	1.2
271.20529	9.2
273.06042	1.2
283.24197	1.4
285.12170	0.5
295.20575	0.8
313.21591	0.6
315.10602	0.5
341.08789	1.1
359.09814	1.3
363.23267	0.6
365.28378	1.1
377.10754	1.4
377.28528	1.4
381.24066	0.8
395.29276	3.0
399.25183	3.4
413.30267	0.6
483.23962	0.9
501.24719	1.0
517.24121	0.5
519.26184	2.1
660.53833	0.5
661.35364	0.8
665.31561	3.7
763.42621	4.4
789.40320	1.5
807.41425	37.3
808.42041	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	16.4
57.07054	7.8
59.48980	4.3
65.03928	7.5
67.05494	89.1
69.07059	27.7
70.87682	8.5
70.88052	9.7
71.04960	5.2
79.05474	85.6
81.07042	88.7
83.08595	9.7
86.09627	4.3
91.05463	74.5
93.07027	100.0
95.04939	13.5
95.08592	59.7
97.06499	4.3
97.10162	5.1
105.07013	76.1
107.04896	5.2
107.08569	52.2
109.10143	25.0
117.07000	21.4
119.08563	70.4
121.10125	44.6
123.11662	12.1
124.42431	4.3
128.06174	5.9
129.06964	11.6
131.08531	28.3
133.10106	52.9
135.11673	31.4
139.36864	4.6
143.08568	14.7
145.10126	29.0
147.11656	44.8
149.13217	21.5
154.61436	4.5
157.10094	13.9
159.11691	27.4
161.13251	30.8
163.14774	6.1
171.11655	19.7
173.13237	18.9
175.14833	10.8
183.11676	7.5
184.07318	5.8
185.13231	13.9
187.14810	6.6
197.13205	7.7
199.14821	11.7
216.27454	4.1
231.21138	6.7
240.46506	4.2
241.19463	25.0
257.19012	9.1
259.20532	81.2
261.22046	13.7
273.05542	5.5
300.78922	4.4
315.22803	4.8
333.24216	58.1
335.25745	83.9
589.67621	4.9
593.45313	13.9
611.46539	44.2
786.94653	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	811.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.5
59.04990	1.1
61.02913	4.7
67.05494	5.9
69.03421	3.8
69.07072	2.6
69.57861	1.8
69.58294	1.7
70.06589	3.1
71.04981	1.8
73.02902	4.0
79.05475	5.8
81.03403	4.5
81.07040	6.4
83.04971	1.2
83.08636	1.3
85.02898	5.2
86.09734	0.7
87.04450	0.7
91.03953	2.8
91.05466	5.9
93.07033	4.6
95.04983	2.1
95.08585	2.6
97.02872	4.9
97.06504	1.1
97.10159	0.7
99.04454	1.3
101.02393	2.2
103.03957	0.6
105.07008	4.3
107.04922	0.8
107.08600	2.5
109.02902	0.6
109.06484	0.4
109.10167	1.3
111.08095	1.1
113.37570	0.4
117.80885	0.5
119.08566	2.9
121.10115	2.3
127.03910	1.3
129.07010	1.5
131.08545	2.1
133.10135	2.0
135.11705	0.9
145.10123	0.9
147.08080	0.6
147.11708	1.6
149.09581	2.3
154.09056	0.5
157.10139	2.0
171.11653	0.5
175.11217	1.2
184.07314	1.5
185.04242	0.6
193.12311	1.9
203.05264	0.8
225.14886	0.9
243.08339	4.1
267.15958	1.2
283.15131	4.6
291.65302	0.4
333.20428	1.8
339.17764	1.2
389.22989	0.6
439.19403	0.7
441.20166	0.5
453.20786	1.2
469.20309	1.2
501.22977	15.5
509.22125	0.5
532.90955	0.5
551.28284	7.4
551.36157	0.7
713.37653	0.8
811.44330	100.0
812.44855	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	812.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.6
60.08153	6.1
67.05479	0.4
71.07000	0.4
71.07362	3.9
71.70065	0.2
71.70492	0.3
76.47041	0.2
79.05448	0.3
81.07033	0.3
86.09690	30.8
87.09988	0.3
93.07013	0.3
95.08532	0.2
98.98436	3.4
104.10728	2.1
105.07057	0.3
124.99982	21.0
126.03571	0.2
139.03900	0.4
143.01045	0.4
184.07310	100.0
185.07643	1.4
241.01813	0.3
350.41629	0.3
704.91101	0.3
708.37579	0.3
776.52069	4.5
777.51416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07038	0.2
58.06363	0.2
58.06617	0.4
60.07844	0.3
60.08154	5.9
66.92426	0.1
67.05500	0.2
69.07055	0.2
69.52441	1.3
71.07363	3.5
81.07056	0.2
83.08597	0.2
86.09692	29.1
87.10006	0.2
91.05486	0.2
93.07061	0.2
95.08582	0.3
98.98450	3.4
104.10727	2.6
105.07006	0.2
112.48613	0.1
119.24764	0.1
124.99983	19.9
138.88722	0.1
143.01053	0.3
166.02629	0.2
184.07315	100.0
185.07645	1.0
186.07773	0.2
186.59911	0.1
285.30847	0.2
313.27328	0.2
318.07208	0.1
344.15753	0.1
369.49969	0.1
399.93918	0.2
439.65436	0.1
506.86191	0.1
511.84927	0.2
716.48328	0.7
736.72870	0.2
798.55493	0.6
816.57202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	15.3
57.07075	4.2
58.30630	3.6
61.02907	6.9
67.05492	72.8
69.03440	20.0
69.07052	37.9
70.78288	13.0
79.05485	66.9
81.03404	22.7
81.07043	75.4
83.04980	16.5
83.08614	17.1
85.02879	7.7
85.06507	8.7
91.05461	70.0
93.07029	55.4
95.04948	30.2
95.08597	42.3
97.02895	9.4
97.06506	27.9
97.10149	20.1
99.04457	5.7
105.07018	61.5
107.04944	18.6
107.08569	35.9
109.06490	32.8
109.10149	15.0
111.08025	5.3
113.05997	6.7
113.09602	5.5
117.07019	20.1
119.08578	41.7
121.06493	9.1
121.10137	18.9
123.04395	7.7
123.08057	9.9
123.11674	5.6
125.09615	12.7
127.03954	4.3
128.06215	4.8
129.07002	14.8
131.08549	35.2
133.10121	26.5
135.08052	17.5
135.11684	12.5
137.09587	6.5
143.08565	9.9
145.08046	4.2
145.10081	27.0
147.07970	7.4
147.11694	17.3
149.09616	15.7
149.13240	9.1
155.08490	7.5
157.10062	9.2
159.08025	7.0
159.11642	11.5
161.09613	9.6
161.13307	9.0
163.11156	16.0
165.09047	4.3
165.12723	4.5
169.10155	5.3
171.11647	10.3
175.11133	8.9
179.14159	6.2
183.11639	7.1
185.13199	5.0
189.11218	14.0
193.12204	5.1
199.11142	5.6
206.92831	4.5
217.12137	4.1
223.13196	11.2
227.12808	17.1
239.17947	4.7
257.19000	6.0
267.16119	5.2
271.16846	6.2
273.18445	27.5
275.20047	57.4
289.17914	10.2
291.19482	100.0
293.21085	6.3
347.21933	9.0
349.23651	27.7
365.23096	26.3
523.34302	5.5
541.35156	6.1
559.36322	11.1
621.41028	19.0
639.42444	49.3
657.43256	11.4
703.40045	6.1
819.48889	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	819.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	20.5
61.02906	2.3
65.03929	7.5
67.05494	81.7
69.03418	13.2
69.07050	19.3
71.04970	7.8
71.70638	2.5
79.05483	53.7
81.03400	21.2
81.07042	60.6
83.04968	11.9
83.08598	8.0
85.02885	6.9
85.06535	13.1
91.04916	3.5
91.05464	48.9
93.07028	45.3
95.04951	69.9
95.08589	34.2
97.02873	7.9
97.06513	14.0
97.10126	4.8
99.04450	5.4
105.07016	41.5
107.04931	17.6
107.08578	32.9
109.02840	3.3
109.05743	3.2
109.06499	65.0
109.10141	14.3
111.08063	6.5
113.05984	31.0
115.05391	4.9
116.06219	2.0
117.06983	26.9
117.99053	1.7
119.04938	2.0
119.08562	25.8
121.06483	10.1
121.10120	12.7
123.04426	6.7
123.08029	6.7
123.11680	2.8
125.09641	3.5
127.03893	3.5
128.06221	3.2
129.06987	13.4
130.07745	2.4
131.08536	32.6
133.06468	4.0
133.10110	21.6
135.08028	51.5
135.11658	11.4
137.05945	2.3
137.09584	3.0
138.22963	1.6
141.06937	2.2
142.07707	2.1
143.08580	11.8
145.06470	4.1
145.10094	22.3
147.08047	8.5
147.11678	12.1
149.09575	13.5
149.13231	7.9
151.11160	2.2
153.05334	1.8
153.06865	2.3
153.09038	3.1
155.08574	3.5
157.10100	12.1
159.08067	3.6
159.11691	14.6
161.09575	10.4
161.13242	5.0
162.10410	1.8
163.11147	7.0
165.09160	2.4
169.10123	5.0
171.08110	1.9
171.11687	8.0
173.04445	6.6
173.09593	3.8
173.13226	4.6
175.11217	4.8
175.14909	2.2
177.12703	6.4
179.14235	3.1
183.11673	5.3
185.13194	3.1
187.11136	3.1
189.11165	3.3
189.12779	2.2
191.14371	4.9
193.12393	2.2
195.11609	1.8
195.13588	2.3
197.13341	2.8
199.11168	1.8
199.14879	4.0
201.12811	4.1
215.14291	2.1
217.15808	11.5
227.12740	4.0
227.17958	2.4
229.14343	3.2
245.18906	3.9
251.16690	1.9
255.17422	4.7
257.19028	4.7
267.15805	2.2
269.17346	4.4
273.18448	42.3
275.20023	25.8
279.15869	4.4
281.18921	1.9
291.19507	100.0
292.19812	2.1
296.24197	1.8
309.20300	2.0
335.25711	2.5
347.22021	11.2
349.23581	21.6
365.23151	19.7
413.21732	9.8
449.19128	3.2
461.63443	2.0
482.22864	1.8
519.33258	3.3
541.35071	9.0
559.36151	30.7
621.41467	11.1
639.42487	27.2
657.42841	3.6
667.41742	4.4
685.39404	2.9
703.40253	11.5
801.46710	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	819.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	20.1
57.07055	2.5
65.03932	5.9
67.05494	82.4
69.03413	10.2
69.07046	19.9
71.04974	8.2
71.69894	2.1
71.70310	3.6
79.05473	55.1
81.03407	22.7
81.07041	61.8
83.04973	9.4
83.08618	7.2
85.02898	4.0
85.06529	14.6
91.05462	50.1
93.07026	45.5
95.04948	63.6
95.08589	29.0
95.09140	3.7
97.02868	7.8
97.06516	14.5
97.10157	6.6
99.04432	2.3
99.08045	1.9
105.07008	34.1
107.04919	14.9
107.08572	35.1
109.02858	3.3
109.06501	61.6
109.10122	15.1
111.04414	3.0
111.08039	4.7
113.05988	31.4
117.07017	22.5
119.08563	27.0
121.06509	6.9
121.10116	16.4
123.04400	6.4
123.08071	6.4
123.11723	3.8
125.09628	5.4
127.03897	5.3
128.06212	4.6
129.06999	14.1
130.26732	1.9
131.08527	29.2
133.06506	4.9
133.10114	23.0
135.08035	44.9
135.11674	10.2
137.06015	2.7
137.09616	4.6
137.14813	2.0
139.03886	4.3
139.49849	2.3
141.06987	2.8
143.07570	2.1
143.08533	12.9
145.06448	3.4
145.10101	18.9
147.08002	11.3
147.11658	11.1
149.09578	14.1
149.13242	5.4
151.11128	4.3
155.08543	3.5
157.10109	10.4
159.08006	4.1
159.11681	13.7
161.09579	9.6
161.13280	4.9
163.03888	3.7
163.11163	5.9
165.09074	2.7
169.10078	4.8
171.11722	5.9
173.04451	6.9
173.13210	5.1
175.11176	7.4
177.12735	4.2
179.14349	2.7
183.11713	2.3
185.13239	3.6
187.11189	4.4
189.11238	2.8
191.14439	3.7
195.13791	2.7
197.13200	3.1
199.11133	2.7
199.14853	4.9
201.12746	3.1
205.12305	2.3
217.15872	10.2
221.15375	2.9
227.12816	6.1
227.17979	2.3
229.14294	3.1
237.82249	2.5
245.19028	3.4
248.90190	2.0
255.17555	4.6
257.19040	4.2
269.17416	3.7
273.18414	37.0
275.19983	29.0
279.15857	3.0
291.19489	100.0
291.22772	4.8
309.20474	3.3
327.15958	3.3
347.22165	14.4
349.23676	20.6
365.23276	23.2
413.21667	7.3
449.19489	2.9
511.28568	3.4
519.32855	2.3
541.35339	10.5
559.36328	24.0
621.40936	7.3
639.42493	22.7
657.43463	4.9
667.41443	6.4
703.40698	11.3
801.45563	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	819.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	19.3
57.07043	5.6
59.04975	3.0
61.02903	9.0
65.03923	6.5
67.05142	5.4
67.05493	100.0
69.03414	34.3
69.07055	29.1
71.04955	8.7
71.42755	5.0
71.43084	4.2
79.05477	52.7
81.03402	56.0
81.06618	4.3
81.07049	60.3
83.04958	19.1
83.08608	16.4
85.02902	22.6
85.06486	4.9
87.04468	4.0
91.05468	73.6
93.07031	50.7
95.04955	24.0
95.08585	38.9
97.02879	26.3
97.06520	30.6
97.10168	15.4
98.17447	3.4
98.21374	3.6
99.04437	6.5
105.07008	65.7
107.04945	15.3
107.08578	32.4
109.02843	8.9
109.06463	6.3
109.10127	43.0
111.04429	6.8
111.08032	8.4
115.05437	6.8
116.10963	3.5
117.07004	27.2
119.08551	47.1
120.82250	3.2
121.10111	21.2
123.04395	11.2
123.07996	7.3
123.11689	7.0
125.09612	17.4
127.03887	15.7
128.06142	7.9
129.05437	6.6
129.06923	16.8
131.08539	37.7
133.06499	4.0
133.10098	35.1
135.07991	6.8
135.11646	10.1
137.09616	4.0
141.06979	10.6
142.07742	4.5
143.08505	15.3
144.09314	3.5
145.06454	4.4
145.10106	28.3
147.08041	5.9
147.11681	20.3
149.09557	10.3
149.13235	5.2
155.08507	14.6
157.10120	20.2
158.54861	3.5
159.08003	3.7
159.11656	22.6
161.09631	4.9
161.13214	12.9
163.11166	8.0
167.08563	7.6
169.10083	11.1
171.11636	14.2
172.16107	2.9
173.04439	17.6
173.09581	3.5
173.11723	9.3
173.13264	9.0
175.11058	7.4
175.14821	7.3
177.12727	4.6
179.14265	5.3
183.11633	16.5
185.13194	10.7
187.11151	5.8
187.14783	7.3
189.11162	6.4
193.12149	6.1
195.11601	5.7
199.14841	4.4
209.13232	5.9
211.13098	5.1
218.62778	3.3
223.15001	3.6
227.12750	10.9
229.14284	21.6
229.19354	4.5
241.19563	9.7
257.18954	5.8
259.20599	9.4
267.15991	4.8
275.20062	48.0
289.46075	3.3
291.19467	13.3
301.21643	3.5
333.24109	6.6
335.25937	4.4
347.22372	3.7
349.23795	16.5
359.29599	3.3
365.23169	6.5
367.22845	6.2
369.61621	3.8
455.19928	4.3
525.35596	4.2
541.35101	23.5
542.35345	3.7
559.35626	4.5
621.40985	7.9
639.42377	22.6
657.43427	5.3
683.73376	3.6
819.48285	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	821.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
68.06007	0.4
69.03394	0.8
69.23407	0.5
70.06580	0.9
71.24863	1.0
75.69526	0.6
76.99575	0.5
78.19862	0.5
79.05466	1.4
80.04993	0.5
81.03398	0.7
81.06998	0.7
82.06553	0.6
83.04962	0.8
84.08134	0.5
85.02877	1.4
86.09657	0.5
86.53493	0.4
91.05475	1.2
93.05733	0.5
93.07028	2.0
94.06549	3.9
95.04947	1.0
95.07331	2.1
96.08111	5.3
101.90345	0.5
106.06506	0.7
107.04919	2.5
108.04463	1.6
108.08110	6.3
110.09653	6.0
116.04968	1.5
119.04920	1.1
120.04424	2.5
120.08082	5.2
121.06525	0.5
122.05997	4.3
123.04407	0.8
123.06767	0.6
124.07553	5.0
127.03907	0.5
132.08058	0.5
134.05997	2.1
136.07535	6.9
138.09116	8.4
139.03891	0.7
140.06981	0.5
144.04420	3.3
146.05997	4.0
146.09697	0.5
147.04370	0.8
148.07552	1.8
150.05518	0.6
151.03891	0.9
152.07040	1.6
160.03940	2.6
160.07449	0.6
162.05447	2.9
163.03882	4.2
163.06248	0.6
164.07059	1.6
166.08604	10.5
172.03900	15.5
174.05443	1.9
176.07002	4.4
178.05061	0.5
179.03398	0.7
185.10695	0.8
186.09200	0.5
187.12436	0.5
190.04955	14.1
191.03323	0.6
191.05284	0.6
196.07594	0.8
197.10681	0.6
198.07829	1.0
199.08678	0.8
199.12294	0.6
204.06532	26.8
205.04976	0.4
205.08675	0.9
209.10684	0.5
211.08665	1.4
211.12350	1.0
212.09349	0.7
213.10173	4.0
214.10956	0.7
215.11830	1.6
224.09435	1.4
225.10196	2.3
226.08662	0.9
226.10820	0.8
227.11708	2.1
229.13423	0.7
236.09392	0.7
237.10191	2.2
238.11014	1.6
239.09387	0.5
239.11763	1.5
241.09651	3.6
243.06577	0.6
243.11243	9.0
245.12831	0.8
247.09752	1.0
249.10307	1.0
251.08116	1.2
251.11821	1.7
252.09023	0.6
253.09645	1.9
254.10500	0.7
255.11270	1.6
256.09384	0.7
256.11990	1.0
257.12836	1.8
263.08197	1.0
263.11914	0.6
264.08823	2.5
265.09741	1.1
266.10370	0.6
267.11298	1.7
269.09274	3.2
269.12555	0.7
270.10074	0.6
271.10840	2.0
273.12271	5.3
274.13345	0.5
277.09882	1.1
278.10590	1.0
279.11313	2.4
281.09241	0.9
281.12772	1.0
283.10669	3.8
284.11411	1.0
285.12296	14.5
287.05389	0.6
287.10187	6.0
294.09830	0.7
295.10828	0.5
297.12268	6.0
299.10324	1.2
299.13965	2.6
301.11890	2.5
302.12790	1.5
303.09875	1.1
303.13345	23.7
304.14316	1.0
307.10754	1.1
309.12122	0.6
311.09882	0.9
311.13028	1.6
313.11765	1.8
314.16525	0.9
316.11053	0.8
316.14511	1.1
317.15399	1.2
318.16055	1.5
319.16818	0.8
323.10199	4.8
325.11758	16.4
326.12598	0.6
327.13507	2.4
328.14572	1.0
329.11490	0.9
330.12384	1.6
330.16052	1.1
331.13272	0.6
332.13931	1.0
334.15128	0.5
339.13797	0.5
342.12415	1.0
342.16309	0.6
343.12921	5.1
343.16714	0.9
344.13803	3.3
345.14719	1.4
346.15549	1.6
347.16284	0.9
353.13940	1.9
355.12610	0.6
356.13962	0.7
357.14471	9.0
358.11536	1.2
358.15540	4.5
360.17166	0.9
361.14194	1.0
368.10013	0.8
368.13953	0.8
370.11963	1.4
370.15860	0.8
371.12866	2.0
372.13275	3.5
372.17374	0.6
373.14294	1.4
374.14874	3.0
374.19040	0.6
376.16705	1.3
378.18234	0.6
384.13351	0.9
385.14404	2.4
386.14886	8.5
386.19376	0.6
387.15930	3.6
388.16739	1.0
392.16010	1.4
394.17801	1.1
398.69757	0.5
400.12271	0.6
400.16919	1.0
401.13367	1.1
402.14182	1.4
402.18372	1.2
403.14951	0.9
404.16016	4.9
406.17496	3.3
413.14713	0.8
414.14365	10.2
415.15195	20.1
416.15982	2.0
418.17807	2.0
420.15387	4.0
428.16098	1.5
430.17618	2.6
432.15457	14.0
433.16138	0.8
434.17215	0.6
438.16309	1.9
444.15585	2.1
446.16965	3.6
456.15488	3.7
462.16431	7.6
462.22391	0.6
463.17108	0.5
464.17615	1.0
474.16510	23.8
475.17194	1.0
476.18161	1.0
494.19138	2.1
506.19199	7.7
507.16498	1.5
539.22931	0.7
555.44751	0.5
557.24060	0.5
581.24164	0.7
583.25476	1.5
585.23364	3.9
591.22791	0.5
599.24957	2.1
609.23230	5.1
610.24255	0.6
618.20856	0.6
627.24384	100.0
628.24792	4.3
636.21558	2.1
643.21704	1.9
659.26978	12.5
771.28168	1.0
789.29547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
68.06007	0.4
69.03394	0.8
69.23407	0.5
70.06580	0.9
71.24863	1.0
75.69526	0.6
76.99575	0.5
78.19862	0.5
79.05466	1.4
80.04993	0.5
81.03398	0.7
81.06998	0.7
82.06553	0.6
83.04962	0.8
84.08134	0.5
85.02877	1.4
86.09657	0.5
86.53493	0.4
91.05475	1.2
93.05733	0.5
93.07028	2.0
94.06549	3.9
95.04947	1.0
95.07331	2.1
96.08111	5.3
101.90345	0.5
106.06506	0.7
107.04919	2.5
108.04463	1.6
108.08110	6.3
110.09653	6.0
116.04968	1.5
119.04920	1.1
120.04424	2.5
120.08082	5.2
121.06525	0.5
122.05997	4.3
123.04407	0.8
123.06767	0.6
124.07553	5.0
127.03907	0.5
132.08058	0.5
134.05997	2.1
136.07535	6.9
138.09116	8.4
139.03891	0.7
140.06981	0.5
144.04420	3.3
146.05997	4.0
146.09697	0.5
147.04370	0.8
148.07552	1.8
150.05518	0.6
151.03891	0.9
152.07040	1.6
160.03940	2.6
160.07449	0.6
162.05447	2.9
163.03882	4.2
163.06248	0.6
164.07059	1.6
166.08604	10.5
172.03900	15.5
174.05443	1.9
176.07002	4.4
178.05061	0.5
179.03398	0.7
185.10695	0.8
186.09200	0.5
187.12436	0.5
190.04955	14.1
191.03323	0.6
191.05284	0.6
196.07594	0.8
197.10681	0.6
198.07829	1.0
199.08678	0.8
199.12294	0.6
204.06532	26.8
205.04976	0.4
205.08675	0.9
209.10684	0.5
211.08665	1.4
211.12350	1.0
212.09349	0.7
213.10173	4.0
214.10956	0.7
215.11830	1.6
224.09435	1.4
225.10196	2.3
226.08662	0.9
226.10820	0.8
227.11708	2.1
229.13423	0.7
236.09392	0.7
237.10191	2.2
238.11014	1.6
239.09387	0.5
239.11763	1.5
241.09651	3.6
243.06577	0.6
243.11243	9.0
245.12831	0.8
247.09752	1.0
249.10307	1.0
251.08116	1.2
251.11821	1.7
252.09023	0.6
253.09645	1.9
254.10500	0.7
255.11270	1.6
256.09384	0.7
256.11990	1.0
257.12836	1.8
263.08197	1.0
263.11914	0.6
264.08823	2.5
265.09741	1.1
266.10370	0.6
267.11298	1.7
269.09274	3.2
269.12555	0.7
270.10074	0.6
271.10840	2.0
273.12271	5.3
274.13345	0.5
277.09882	1.1
278.10590	1.0
279.11313	2.4
281.09241	0.9
281.12772	1.0
283.10669	3.8
284.11411	1.0
285.12296	14.5
287.05389	0.6
287.10187	6.0
294.09830	0.7
295.10828	0.5
297.12268	6.0
299.10324	1.2
299.13965	2.6
301.11890	2.5
302.12790	1.5
303.09875	1.1
303.13345	23.7
304.14316	1.0
307.10754	1.1
309.12122	0.6
311.09882	0.9
311.13028	1.6
313.11765	1.8
314.16525	0.9
316.11053	0.8
316.14511	1.1
317.15399	1.2
318.16055	1.5
319.16818	0.8
323.10199	4.8
325.11758	16.4
326.12598	0.6
327.13507	2.4
328.14572	1.0
329.11490	0.9
330.12384	1.6
330.16052	1.1
331.13272	0.6
332.13931	1.0
334.15128	0.5
339.13797	0.5
342.12415	1.0
342.16309	0.6
343.12921	5.1
343.16714	0.9
344.13803	3.3
345.14719	1.4
346.15549	1.6
347.16284	0.9
353.13940	1.9
355.12610	0.6
356.13962	0.7
357.14471	9.0
358.11536	1.2
358.15540	4.5
360.17166	0.9
361.14194	1.0
368.10013	0.8
368.13953	0.8
370.11963	1.4
370.15860	0.8
371.12866	2.0
372.13275	3.5
372.17374	0.6
373.14294	1.4
374.14874	3.0
374.19040	0.6
376.16705	1.3
378.18234	0.6
384.13351	0.9
385.14404	2.4
386.14886	8.5
386.19376	0.6
387.15930	3.6
388.16739	1.0
392.16010	1.4
394.17801	1.1
398.69757	0.5
400.12271	0.6
400.16919	1.0
401.13367	1.1
402.14182	1.4
402.18372	1.2
403.14951	0.9
404.16016	4.9
406.17496	3.3
413.14713	0.8
414.14365	10.2
415.15195	20.1
416.15982	2.0
418.17807	2.0
420.15387	4.0
428.16098	1.5
430.17618	2.6
432.15457	14.0
433.16138	0.8
434.17215	0.6
438.16309	1.9
444.15585	2.1
446.16965	3.6
456.15488	3.7
462.16431	7.6
462.22391	0.6
463.17108	0.5
464.17615	1.0
474.16510	23.8
475.17194	1.0
476.18161	1.0
494.19138	2.1
506.19199	7.7
507.16498	1.5
539.22931	0.7
555.44751	0.5
557.24060	0.5
581.24164	0.7
583.25476	1.5
585.23364	3.9
591.22791	0.5
599.24957	2.1
609.23230	5.1
610.24255	0.6
618.20856	0.6
627.24384	100.0
628.24792	4.3
636.21558	2.1
643.21704	1.9
659.26978	12.5
771.28168	1.0
789.29547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	16.0
57.07056	2.1
57.13292	1.0
58.62554	0.8
61.02915	68.8
65.03912	2.4
67.05491	32.5
69.03043	1.4
69.03419	25.8
69.07043	6.7
70.06567	2.1
71.01340	2.3
71.04985	4.1
71.69556	1.7
73.02902	21.7
74.40586	1.1
79.05482	19.9
79.05927	1.6
81.03403	19.6
81.07043	30.2
83.01314	1.9
83.04969	3.8
83.08614	4.5
85.02890	100.0
86.03223	1.1
86.85153	1.1
87.04453	2.7
88.07602	1.8
91.03941	51.9
91.05453	14.5
93.07027	23.5
93.07592	1.9
95.04948	4.0
95.08588	25.7
97.02876	69.9
97.06532	2.6
97.10160	2.1
99.04436	11.3
101.02371	4.3
102.09129	1.6
103.03926	10.8
103.05438	1.3
105.07010	14.0
107.04944	1.8
107.08575	13.7
109.02845	9.8
109.06498	2.5
109.10139	12.6
111.04417	4.5
111.08076	1.4
115.03910	6.4
117.05442	1.3
117.07001	4.3
119.05014	1.3
119.08556	9.9
121.10118	12.4
123.04395	1.0
123.08023	1.5
123.11708	4.9
125.09653	1.4
127.03897	39.2
129.05469	6.1
129.06984	2.3
131.08549	8.4
133.06461	1.8
133.10097	7.4
135.11676	8.9
136.12076	1.1
137.09579	1.0
137.13202	2.1
139.03888	1.1
143.08548	1.9
145.04930	32.8
145.10083	7.1
147.07948	1.1
147.11674	6.1
149.02335	7.6
149.09668	1.2
149.13222	5.2
151.14865	1.2
155.07007	1.1
155.08545	1.7
157.10112	1.4
159.06519	2.3
159.11711	7.1
161.13251	5.3
163.05981	18.6
163.11253	1.2
163.14819	3.8
168.06636	1.0
171.06512	2.0
171.11682	1.8
173.09631	1.3
173.13197	5.3
175.14774	2.6
183.06497	9.6
183.11693	2.4
185.13333	2.4
187.14897	2.9
189.12677	1.6
193.04881	2.5
195.13771	1.1
197.13255	1.6
201.07545	5.8
215.14188	1.1
219.08624	1.4
228.23206	4.3
233.22772	1.1
241.19447	2.2
243.20969	5.6
259.20483	2.4
261.22095	16.1
273.22198	1.3
275.19986	1.1
279.23151	0.9
285.22372	1.1
301.21573	1.6
303.23190	3.3
313.21750	1.5
315.23376	2.2
317.24710	1.7
327.23068	2.8
335.25732	53.6
336.26038	2.6
341.24884	1.5
351.23087	2.9
353.26935	1.5
363.25287	3.2
369.24155	4.8
377.26727	3.7
382.94794	1.0
387.25418	2.5
389.26874	1.7
405.26450	2.1
419.27859	1.8
443.27844	4.1
461.28976	4.1
479.30164	9.4
480.30557	1.2
497.30920	3.3
822.37048	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	822.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03186	0.5
57.03427	4.6
57.07062	0.7
58.22134	0.4
59.04963	0.3
61.02914	5.5
63.30827	0.3
65.03922	0.9
67.05495	33.1
68.05837	0.4
69.03413	2.0
69.07061	9.9
69.41345	2.9
69.41752	1.0
71.01330	0.6
71.04980	3.7
71.08619	0.5
73.02899	1.7
79.05018	0.7
79.05482	20.0
81.03406	7.5
81.07043	43.2
83.04976	3.6
83.08603	9.7
85.02885	7.1
85.06522	2.8
91.03949	4.5
91.05464	14.6
92.86613	0.4
93.07030	30.6
94.07352	0.4
95.04954	5.4
95.07997	0.8
95.08586	11.5
97.02879	3.8
97.06512	6.2
97.10155	2.6
99.04445	1.2
99.08081	1.6
105.04558	0.4
105.07016	8.1
107.04943	2.2
107.05570	0.3
107.08575	18.3
109.06511	2.3
109.10137	4.1
111.04411	0.9
111.08050	4.2
111.11699	0.4
113.05980	0.6
115.03803	0.3
115.05448	0.4
115.07556	0.4
117.07001	6.8
119.04850	0.4
119.08564	5.5
121.06483	2.4
121.10130	10.5
123.04401	0.6
123.08052	2.2
123.11691	2.1
125.09567	1.4
127.03894	1.3
127.07508	0.4
129.06982	2.6
131.08540	9.7
133.06525	1.0
133.10104	9.3
135.08051	2.5
135.11684	5.9
137.09651	0.6
139.03850	0.6
139.11159	0.7
141.06969	0.4
143.08522	2.3
145.04941	1.5
145.10097	3.0
147.08023	1.1
147.11646	2.3
149.09631	1.8
149.13231	14.0
151.11156	1.3
155.08539	1.0
157.10069	2.1
159.11681	8.8
161.09570	0.6
163.03951	0.4
163.05992	1.4
163.11180	1.0
167.08453	0.5
169.10095	0.8
171.11636	0.9
173.09598	0.5
173.11765	0.5
175.11217	0.9
177.12730	3.8
178.13240	0.4
183.11673	0.7
185.09628	0.6
185.70805	0.4
187.14757	0.5
189.11264	0.8
193.12221	1.8
195.11958	0.6
195.13774	7.1
199.11221	0.4
199.14784	0.6
201.12633	0.5
209.13388	0.6
211.14790	0.7
213.12872	0.7
213.14755	0.9
217.15955	0.5
227.12738	1.1
229.14275	0.6
251.16394	1.5
255.33899	0.4
267.15851	4.3
269.17435	22.5
270.17654	0.6
273.18491	1.3
280.84845	0.4
291.19577	2.1
293.19424	0.4
335.23624	0.4
335.79556	0.4
339.18228	0.5
347.22095	0.5
353.24658	2.0
365.23181	1.3
369.24152	0.5
371.25784	1.2
383.24390	0.5
389.26868	1.0
413.21768	0.7
437.25259	0.7
445.29453	12.6
446.29779	0.5
461.28983	1.1
463.30481	100.0
464.30966	3.3
481.31839	0.6
539.33954	0.8
557.34601	2.9
575.35706	1.6
607.34656	6.6
641.53864	0.4
822.48999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.8
57.07043	1.2
61.02919	3.7
65.03908	1.1
67.05491	33.0
68.05826	1.1
69.03409	2.6
69.07052	10.2
70.06561	0.8
70.12703	0.6
70.85426	1.1
70.85764	1.0
71.04986	3.4
73.02902	1.7
77.03908	0.7
79.05475	20.4
81.03419	4.8
81.07038	40.5
83.04955	2.9
83.08597	9.2
85.02889	7.9
85.06520	2.7
91.03938	3.5
91.05463	15.8
93.07023	26.7
95.04951	4.6
95.08587	10.6
97.02877	4.7
97.06508	7.2
97.10139	1.5
99.04444	1.5
99.08065	0.9
105.07021	7.6
107.04916	1.3
107.08575	18.6
109.06481	1.7
109.10097	4.0
111.08046	2.9
115.05402	1.0
116.08739	0.6
117.06989	6.7
119.08565	4.2
121.06484	2.5
121.10118	8.3
123.11687	1.5
127.03920	1.8
129.06981	3.0
131.08556	8.6
133.06468	0.9
133.10101	7.7
135.08002	1.7
135.11620	4.9
141.06903	1.4
143.08527	2.9
145.05000	1.0
145.10065	2.5
147.11679	1.8
149.09628	1.4
149.13214	11.1
151.11218	0.6
155.08572	1.3
157.10127	2.2
159.07954	0.9
159.11702	5.7
163.06036	0.8
167.43054	0.7
169.10095	0.7
171.11589	1.7
173.04436	0.8
177.12726	3.3
183.11688	1.4
193.12337	0.7
195.13768	6.2
197.13246	1.0
213.14754	0.9
251.16293	1.1
261.18448	1.0
267.15714	1.3
269.17413	20.9
293.82889	0.6
297.16840	0.7
299.98911	0.7
343.26404	1.2
353.24609	1.6
370.01956	0.7
371.25562	1.8
389.26868	1.8
413.21689	1.1
445.29492	13.2
446.29681	0.8
461.28931	1.2
463.30457	100.0
464.30988	3.7
481.31726	1.9
557.34491	0.9
571.33044	0.9
575.36328	0.9
589.33710	1.0
607.34625	9.7
608.35522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03197	2.8
57.03432	29.7
58.66539	1.9
58.68175	1.9
59.85280	2.2
61.02907	6.5
65.03923	4.3
67.05495	81.5
69.03418	14.6
69.07062	48.6
69.36000	23.1
70.06580	2.9
71.04670	1.9
71.04987	21.5
73.02890	6.7
79.05485	79.2
81.03407	100.0
81.07049	87.1
83.04964	13.0
83.08611	29.0
85.02897	15.6
85.06526	7.9
91.05470	70.1
93.07030	63.6
93.07584	4.2
93.80177	2.2
95.04961	43.6
95.08590	38.6
97.02879	14.7
97.06516	69.6
97.10173	11.6
99.04432	3.5
99.08073	7.8
101.02364	2.9
103.05486	2.2
105.04510	2.2
105.07019	47.6
107.04939	21.5
107.08575	35.8
109.02872	6.3
109.06497	21.8
109.10145	16.0
111.04458	3.4
111.08087	13.0
113.06002	3.3
115.05452	7.5
115.07554	19.2
117.06999	24.8
118.07323	1.9
119.04909	4.4
119.08571	35.8
121.06492	15.1
121.10129	24.4
123.04410	6.8
123.08097	11.3
123.11676	4.9
125.09616	10.6
127.03911	6.2
127.07513	2.3
128.06212	3.8
128.14771	2.0
129.05479	3.7
129.06987	22.4
131.04939	3.0
131.08560	34.6
133.06470	7.4
133.10117	26.5
135.08017	12.0
135.11684	12.5
137.09590	5.9
139.07538	2.3
141.06961	5.2
142.07736	5.5
143.08560	14.3
145.06444	6.1
145.10118	20.0
147.08037	11.7
147.11653	15.6
149.09618	12.4
149.13213	13.2
151.03891	2.8
151.11197	4.3
153.09082	4.0
155.08545	9.5
157.10120	18.8
159.08008	7.3
159.11649	16.2
161.09578	10.3
161.13168	4.0
163.11182	8.4
167.08546	3.9
169.10104	5.3
171.11664	7.9
173.04414	4.6
173.09586	5.8
173.13268	6.1
175.11142	11.1
177.12726	5.9
181.10126	2.6
183.11681	5.3
185.09637	2.9
185.13220	5.7
187.11150	4.3
187.14728	2.1
189.11208	5.8
191.10674	2.5
193.12181	19.4
193.32930	2.1
195.13802	4.1
197.09581	2.5
199.14784	2.7
201.12714	2.9
203.14383	2.9
205.12021	3.7
207.13765	2.4
209.13264	3.3
211.13098	2.8
213.12610	3.0
217.15924	10.0
219.13832	3.2
221.15355	4.2
225.14706	2.9
227.12711	3.5
227.17960	2.8
228.46487	2.1
232.39946	2.0
233.15297	4.9
237.16377	2.8
249.14813	4.1
253.14142	2.9
259.17108	2.4
263.14029	2.0
267.15875	54.2
269.17444	21.5
273.18509	20.2
274.18716	2.2
275.19922	2.4
276.26059	2.0
283.15430	3.0
289.17944	3.7
291.19501	12.5
307.18997	3.3
313.21811	2.7
329.20923	2.7
347.22198	6.8
351.23340	2.1
353.24673	4.2
365.23248	8.8
369.24030	3.4
383.24142	2.4
387.24835	2.9
405.26590	2.5
421.25900	3.1
443.27805	9.6
445.29794	10.4
447.27658	6.2
461.28888	34.2
463.30560	41.6
465.29724	6.8
473.29025	2.9
479.29550	3.3
483.30750	7.0
487.30267	6.3
489.28336	5.3
493.31879	9.4
499.30579	6.3
513.31616	2.4
539.33746	16.3
557.34747	28.4
575.35931	15.3
589.36859	4.0
607.34326	3.2
744.19672	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	822.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.2
57.07044	1.5
59.04989	0.8
61.02903	1.4
65.03922	1.5
65.50163	0.6
67.05490	40.7
68.05791	0.7
69.03419	7.1
69.07054	26.7
71.04958	1.9
71.11935	0.6
71.12269	1.4
77.03890	0.7
79.05476	33.7
81.03416	4.0
81.07037	35.8
83.04948	2.9
83.08601	10.2
85.02879	1.0
85.06516	1.5
86.09675	1.5
91.05462	19.3
91.06032	1.2
92.05766	0.7
93.06429	1.5
93.07024	29.5
95.01287	0.7
95.04946	8.0
95.08585	24.8
97.02872	7.7
97.06505	2.9
97.10152	9.6
99.08073	0.9
99.31567	0.7
103.05421	0.7
105.06335	1.0
105.07008	14.6
107.04932	4.2
107.08575	18.1
109.06467	2.7
109.10132	13.6
111.04369	0.7
111.08046	2.0
117.06996	8.2
119.04903	1.0
119.08552	14.2
120.05670	0.7
121.06434	2.4
121.10118	11.1
123.08030	2.5
123.11687	3.0
124.99932	0.7
125.09613	8.1
128.06186	1.2
129.06958	2.6
130.07761	0.9
131.08546	8.7
133.06462	2.1
133.10095	8.5
134.07312	1.0
135.08047	3.4
135.11652	6.9
137.09543	2.3
139.11177	0.8
143.08537	2.9
143.10551	0.7
144.09358	0.9
145.10091	6.7
147.08003	4.0
147.11684	3.5
149.09558	1.9
149.13202	3.7
151.11148	0.7
155.08513	1.0
157.10091	1.7
159.08067	0.9
159.11708	4.9
161.09604	2.1
161.13210	1.9
162.10352	0.8
163.11156	1.9
163.14717	1.2
165.09010	1.7
169.10135	0.8
171.10254	0.9
171.11674	1.6
173.13219	1.6
175.11130	2.0
177.12733	1.1
184.07361	3.8
187.13289	0.9
187.14801	0.8
189.11142	4.0
191.14326	0.7
195.13814	0.7
199.11121	0.6
205.12062	0.8
212.92912	0.6
223.13234	18.1
223.16707	0.8
227.12701	4.0
243.21043	1.9
245.19008	1.3
248.07109	0.8
249.14761	2.1
255.17433	1.0
261.19043	0.8
261.22034	7.2
263.20135	0.7
266.72955	0.6
273.18436	13.0
273.21231	0.6
291.19476	100.0
292.19742	3.6
317.24643	2.1
335.25729	59.1
336.26132	2.1
347.22009	1.9
365.23157	45.4
366.23407	1.5
533.39154	0.7
545.38196	2.8
557.37555	0.8
567.40588	0.7
607.43127	2.3
625.44513	55.0
626.44897	4.1
643.44879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	9.4
57.07054	2.6
60.29177	1.0
65.03939	4.2
67.05490	90.7
68.05802	1.2
69.03414	4.3
69.07055	22.1
71.04984	6.6
71.19930	2.8
73.02897	1.8
79.05476	59.1
80.05786	1.5
80.24767	0.9
81.03414	6.6
81.07038	88.7
82.07384	1.3
83.04964	12.4
83.08591	9.1
85.02882	3.4
85.06521	5.8
91.05457	64.9
93.07023	63.6
95.04948	13.8
95.08585	45.3
97.02854	1.7
97.06494	7.0
97.10118	1.8
99.04443	2.4
99.08059	1.7
103.05441	2.5
105.07006	52.3
107.04333	1.0
107.04922	6.2
107.08569	51.7
109.06504	8.3
109.10132	64.3
111.08068	4.8
113.01138	1.3
113.05988	2.2
115.05367	1.5
117.06982	9.8
119.08549	18.7
121.06489	6.2
121.07211	0.9
121.10117	20.1
123.04414	1.6
123.08053	4.9
123.11695	12.0
125.09624	2.6
125.16201	1.2
127.07517	3.3
128.06158	1.6
129.06995	3.1
131.08534	18.4
133.06453	5.9
133.10098	72.4
134.10368	1.6
135.08049	5.8
135.11668	14.3
137.09572	2.8
139.07533	1.2
142.07779	1.1
143.08539	3.1
145.10077	10.7
147.07988	2.9
147.11658	6.6
149.09583	5.4
149.13211	6.2
151.11147	29.7
153.12668	1.1
155.08565	1.4
157.10077	2.4
159.08054	1.9
159.11630	7.1
161.09631	7.0
161.13196	5.5
161.28209	1.0
163.11198	1.7
163.14792	2.8
165.76035	1.0
169.12204	7.8
171.11690	3.8
173.09627	1.4
173.13161	5.6
175.11197	3.1
175.14766	2.2
177.09074	1.6
177.12724	1.5
179.10661	2.4
181.10115	1.8
183.11676	1.4
185.13274	1.3
187.14815	1.4
215.12758	3.6
227.17914	1.8
243.21092	3.1
245.18990	6.5
251.12750	2.2
253.14297	100.0
254.14680	2.3
255.17519	2.2
261.22110	12.8
263.20090	4.0
271.15399	2.2
273.18423	22.2
277.21594	1.1
291.19485	22.4
309.20590	2.1
317.24759	2.7
333.23941	1.5
335.25726	93.9
336.26080	4.0
338.86545	1.1
347.21982	8.3
365.23129	31.4
383.24524	1.5
399.84741	1.0
439.31985	1.6
457.33664	1.2
459.57144	1.1
513.35474	3.6
529.35071	4.5
531.36676	30.5
532.37097	3.1
607.43207	5.7
625.44519	54.0
626.44653	4.6
642.61932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	9.6
57.07045	1.3
61.02922	2.5
65.03928	3.0
65.43433	0.9
67.05493	58.0
69.03412	8.4
69.07059	33.1
71.04981	3.6
71.60782	1.8
73.02899	1.1
79.05017	2.2
79.05481	43.7
81.03429	5.6
81.07041	50.7
83.04965	3.0
83.08601	10.5
85.02901	1.1
85.06523	1.7
86.09691	2.1
91.05466	25.9
93.07028	43.0
94.07324	0.9
95.04945	11.4
95.08589	35.5
96.08881	1.2
97.02872	11.1
97.06511	3.4
97.10157	11.1
99.08092	1.6
105.04511	1.1
105.07015	20.5
107.04943	5.7
107.08577	25.0
109.06520	3.7
109.10135	17.4
111.08102	1.9
117.06993	9.0
119.04909	1.6
119.08564	16.2
121.06464	2.6
121.10131	15.5
123.08050	3.6
123.11668	3.0
125.09612	8.0
129.06973	4.4
131.08559	9.7
133.06456	3.3
133.10120	7.8
135.08023	2.2
135.11668	10.2
137.09598	1.8
143.08536	3.2
145.10065	10.6
147.08002	4.8
147.11644	4.9
149.09624	2.1
149.13231	4.4
153.09200	1.0
157.10117	2.9
159.08031	1.1
159.11642	4.8
161.09592	3.0
161.13242	2.9
165.09177	1.5
169.10126	1.2
173.13246	3.5
175.11226	1.5
177.12700	2.7
177.16222	0.9
179.14267	1.3
184.07225	5.4
186.11646	0.9
187.14833	1.9
189.11203	3.4
193.12276	1.4
195.13771	1.0
201.91534	0.9
205.12277	1.8
211.13190	1.7
223.13254	18.1
227.12761	2.8
227.17900	1.3
243.21005	2.7
249.14862	2.9
255.17349	1.1
259.20499	1.1
261.22141	9.3
263.20129	0.9
267.16077	1.4
273.18503	14.0
291.19492	100.0
292.19812	5.5
317.24722	3.4
335.25751	94.5
336.26102	6.5
347.22205	2.1
365.23181	45.3
365.27798	2.2
366.23624	3.0
515.13116	1.0
527.37091	1.4
545.38098	4.4
625.44550	84.9
626.44745	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	822.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.4
67.05492	70.2
69.03402	4.8
69.07065	20.4
70.94311	2.8
70.94678	8.0
71.04980	5.3
77.89289	2.7
79.05484	55.8
81.03387	4.7
81.07043	67.8
81.36289	2.4
83.04957	8.9
83.08602	11.5
85.06548	3.6
85.77104	2.7
91.05467	53.6
93.07027	56.1
95.04961	8.9
95.08585	32.5
97.06510	6.2
97.10146	4.0
105.07003	48.7
107.04927	6.6
107.08569	37.1
109.06492	3.8
109.10136	54.9
117.07012	8.3
119.08586	12.5
121.06467	6.4
121.10126	16.0
123.08036	3.3
123.11684	9.2
129.07014	4.1
131.08553	14.1
133.06447	6.1
133.10106	58.1
135.08061	5.2
135.11620	12.9
137.09563	2.8
143.08565	3.9
143.81163	2.6
145.10124	11.9
147.08002	5.0
147.11671	7.8
149.09599	6.6
149.13243	4.7
151.11162	26.4
157.10158	4.9
159.11694	4.6
161.09564	7.0
161.13284	4.5
169.12195	5.2
171.11713	5.3
173.13242	5.9
177.08965	3.2
184.07320	3.0
198.08821	2.9
215.12782	3.2
215.53482	2.8
243.21048	3.7
245.19055	4.9
251.12645	4.6
253.14307	100.0
254.14699	4.5
260.03064	2.6
261.22131	15.7
263.20081	3.4
273.18372	21.0
291.19440	27.6
309.20322	3.1
335.25699	55.1
347.22052	6.4
365.23181	33.6
513.35651	7.4
531.37103	13.3
607.43634	4.7
616.11255	2.9
625.44458	45.9
626.45190	5.5
644.82434	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.9
57.07061	3.0
64.22295	1.7
65.03923	3.4
67.05133	3.0
67.05493	48.5
69.03417	2.2
69.07054	34.1
69.56898	1.6
70.88219	5.3
71.04974	3.6
79.05480	53.7
81.03415	9.4
81.06555	1.9
81.07043	61.9
83.04969	7.9
83.08604	9.9
91.05466	75.8
93.07030	56.3
95.01335	10.1
95.04961	10.3
95.08006	2.7
95.08592	39.1
97.06516	22.0
97.10140	2.6
99.08103	2.1
103.05415	3.0
105.04513	1.7
105.07017	100.0
106.07346	2.5
107.04948	17.1
107.08575	26.5
109.06487	5.6
109.10120	9.1
111.08072	2.8
115.05438	2.5
117.06995	20.1
119.08569	60.2
120.08876	2.2
120.40910	1.8
121.06489	1.9
121.10114	15.2
123.08053	4.3
123.11660	2.9
125.09625	3.5
129.06958	8.2
131.08549	30.5
133.10110	52.1
135.08009	3.2
135.11688	14.5
137.09605	2.0
141.06992	2.5
141.35277	1.6
143.08528	6.3
145.06487	3.2
145.10114	22.6
147.11664	30.7
149.09589	5.9
149.13222	8.0
151.11142	2.7
155.08463	3.7
157.10095	9.0
159.11679	20.0
161.13257	17.6
163.11179	4.0
165.09076	2.3
169.10040	2.8
171.11705	8.0
173.13228	8.1
175.14818	7.4
177.12773	3.3
179.14320	14.5
179.76912	1.7
183.11609	2.4
185.13216	5.7
187.11133	3.0
187.14825	2.2
197.13298	1.8
199.14795	3.6
201.00014	2.0
201.16356	2.8
231.21001	2.8
239.17899	3.3
241.19441	17.9
257.18958	6.2
259.20529	30.0
275.20038	63.2
276.20374	3.1
277.21689	2.2
283.48676	1.8
293.20975	3.8
297.21896	1.9
315.23129	13.4
333.24210	49.2
334.24698	2.1
349.23737	45.3
350.24112	3.2
506.99258	2.1
511.37274	2.5
607.43524	95.0
608.44031	9.3
625.44690	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	823.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	1.3
61.02903	1.7
65.03936	0.9
67.04263	0.7
67.05491	10.7
68.72100	0.8
68.99770	1.8
69.03420	52.8
69.07046	2.6
70.01008	3.2
70.06569	1.0
71.01336	2.3
71.04981	39.1
73.02898	2.3
75.04452	1.6
78.49723	0.7
79.05478	7.5
81.03406	10.4
81.07044	15.7
83.04971	20.1
83.08612	1.3
84.08114	0.8
85.02893	59.7
85.06532	9.4
87.00813	18.5
87.04433	3.6
91.05462	10.5
93.07031	12.9
94.88876	0.8
95.04948	5.3
95.08595	9.7
97.02870	6.6
97.06500	2.0
98.20767	1.1
99.04442	4.7
101.06009	1.6
103.03904	0.7
105.01846	14.5
105.07010	14.1
107.04941	2.4
107.08573	9.0
109.02870	8.9
109.06512	6.2
109.10128	9.2
111.03661	1.1
111.04428	22.4
111.08044	3.0
113.05978	0.9
115.05407	1.1
117.06958	4.3
119.08573	9.6
120.08142	0.8
120.20012	0.7
121.06491	1.6
121.10124	15.6
123.04405	2.0
123.11681	1.5
125.05993	0.7
125.09607	4.0
127.03896	13.0
127.37432	0.7
128.06160	1.1
129.05460	45.4
129.06905	6.2
131.08546	11.3
133.10109	14.5
135.08054	1.1
135.11702	3.4
136.06161	1.0
139.03854	1.4
139.07515	2.4
141.06947	2.1
141.09082	2.5
142.07764	4.9
143.08548	12.2
144.09302	0.9
145.04929	5.1
145.10109	12.7
147.02875	1.1
147.06503	2.1
147.08058	1.0
147.11665	23.4
149.09584	1.9
149.13245	3.4
151.03862	1.7
155.08537	5.0
156.09363	1.1
157.04906	0.8
157.10107	34.2
157.11409	1.7
158.10489	1.1
159.02890	3.2
159.11673	18.6
161.13208	4.3
162.34186	0.9
163.03920	1.3
163.11143	1.5
165.09106	1.6
166.08554	1.2
167.07138	0.9
167.08572	1.0
167.10651	2.4
168.09370	1.2
169.10156	4.0
171.06583	1.2
171.11685	11.2
173.09622	0.8
173.13287	6.6
175.11102	1.1
177.12572	0.8
179.08531	0.7
179.10660	0.9
181.10150	1.1
182.10843	1.0
183.11668	5.9
185.13187	5.9
187.14746	1.0
189.03902	2.1
195.11710	2.1
196.12456	0.8
197.13275	8.4
199.14738	2.6
209.13208	1.6
211.14787	7.6
213.03856	1.8
213.16388	3.8
215.05499	6.5
215.17943	1.1
223.14876	1.3
224.15585	1.0
225.16335	3.1
226.10863	1.2
227.17834	0.8
229.19557	1.3
231.04971	2.7
233.06497	13.5
237.07527	1.4
237.16345	1.0
238.17117	1.6
239.17918	1.1
241.13300	4.7
249.05923	0.9
249.16353	1.1
251.17938	4.7
253.19485	100.0
254.19875	4.8
255.08549	0.9
255.21092	3.7
265.19391	1.2
267.21014	1.6
269.12790	2.7
269.18942	2.2
271.20532	31.2
272.20853	1.3
277.19485	1.3
279.21109	1.5
281.22534	1.4
293.08826	0.8
295.20667	1.0
297.22064	1.1
317.06485	1.5
327.23111	2.1
359.09756	1.0
359.27606	0.8
363.26855	1.8
373.13812	0.8
375.26691	1.8
377.28360	1.6
381.27795	3.3
393.27832	5.1
395.29199	2.3
411.28888	8.8
413.30304	3.3
429.29916	4.7
433.25674	2.6
485.25250	1.1
503.38464	0.8
519.25702	2.1
643.26849	1.1
661.25861	1.5
665.31598	2.4
791.30719	0.9
794.55670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	0.8
61.02919	0.8
64.63114	0.4
65.03928	0.5
67.05486	5.3
68.71001	0.3
68.99784	0.5
69.03416	80.3
69.07086	0.6
70.03761	0.8
71.01334	5.4
71.04977	14.1
71.68859	0.4
71.69283	0.4
73.02896	0.9
73.06535	0.3
73.46783	0.3
75.04472	0.6
77.03899	0.4
79.05481	4.9
81.03413	1.2
81.07042	6.7
83.04964	24.0
83.08598	1.1
84.05315	0.5
85.02885	16.0
85.06528	0.8
87.00813	17.6
87.04442	2.8
88.01168	0.3
91.05468	5.1
93.07028	7.1
95.04958	1.2
95.08576	4.5
97.02884	1.8
97.06470	0.6
99.04453	1.2
101.05985	1.9
105.01847	15.7
105.07011	7.6
107.04908	0.4
107.08565	6.0
108.08958	0.4
109.02884	1.3
109.06511	0.4
109.10143	5.7
111.04424	29.6
112.04745	0.5
115.05434	0.7
117.07005	2.3
119.08570	4.4
121.06493	1.0
121.10119	8.0
122.10448	0.4
123.11667	1.0
127.03899	3.0
128.06204	1.5
129.05452	62.8
129.06996	3.6
130.05795	0.7
130.07802	0.4
131.07033	0.5
131.08546	6.9
133.10094	8.6
135.11682	1.9
141.06966	1.2
141.09077	1.5
142.07753	3.4
143.07437	0.5
143.08536	8.1
145.04913	1.2
145.10100	8.3
147.06502	0.4
147.11652	15.0
149.13216	0.8
153.06895	0.5
155.08505	2.7
156.09209	0.4
157.10100	18.6
158.10428	0.4
159.10384	0.4
159.11664	10.7
161.13246	1.5
169.10101	2.3
171.11653	7.0
173.04489	0.5
173.13275	3.3
175.14868	0.5
181.10062	0.7
182.10931	0.6
183.11676	3.2
185.13274	2.9
189.07516	0.6
193.10017	0.4
195.11705	0.8
196.12416	1.0
197.13206	5.2
198.13934	0.6
199.14822	0.6
209.13242	1.0
209.71101	0.4
211.14766	3.4
212.15500	0.7
213.16322	0.7
215.05498	3.3
223.14714	0.9
224.15561	1.0
225.16309	1.7
233.06517	27.4
234.06918	0.4
237.07544	0.4
238.17207	1.0
251.17949	3.1
253.19467	100.0
254.19807	4.6
255.08603	1.1
255.20993	1.9
265.19510	0.4
269.18933	2.0
271.20502	15.8
271.23459	0.8
272.20929	0.5
273.09579	1.5
277.19522	0.5
289.19601	0.4
327.23099	1.5
373.13950	0.5
375.26672	0.6
381.24176	0.4
393.27756	1.3
411.28900	2.8
415.25397	0.4
429.29803	1.0
433.25525	2.4
442.71188	0.3
485.25159	2.4
503.26331	1.6
509.69907	0.4
512.21924	0.4
591.34534	0.5
665.31537	6.1
666.31836	0.7
805.38623	0.5
823.41101	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	823.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.5
61.02908	2.1
65.03922	3.5
67.05494	32.9
68.99773	4.7
69.03416	87.0
69.07049	5.6
70.06569	2.5
70.06983	4.2
70.66636	1.0
71.01326	4.7
71.04980	74.4
75.04458	2.6
79.05477	14.1
81.03392	4.7
81.07040	56.5
83.04964	68.3
83.08609	3.2
84.04486	1.1
84.08064	0.9
85.02888	82.4
85.06526	26.3
86.09630	1.3
87.00812	37.8
87.04449	8.7
91.05460	15.3
93.07024	18.8
95.04948	29.1
95.08592	25.6
97.02891	6.0
97.06516	5.3
99.04441	7.0
99.08083	1.9
101.06001	5.2
103.05452	1.3
105.01845	21.1
105.07010	24.3
107.04920	1.6
107.08573	14.1
109.02857	44.5
109.06494	7.4
109.10135	19.8
111.00785	1.4
111.04420	70.9
111.08068	2.2
113.05971	1.3
115.07526	3.4
117.07006	7.9
119.08560	15.9
121.06489	8.5
121.10104	8.8
122.09668	1.0
123.04410	69.9
123.08036	10.6
123.11720	7.5
124.05195	1.7
125.05966	4.0
125.09610	14.4
127.03902	7.0
128.06183	1.9
129.05455	96.1
129.06998	6.1
130.05833	1.7
130.07820	1.1
131.08540	19.6
133.10092	15.5
135.08028	7.7
135.11682	4.9
137.05945	5.5
137.09599	11.3
139.07571	1.3
139.11124	7.2
141.05461	1.7
141.06920	1.4
141.09079	21.8
142.07730	4.8
143.03377	2.7
143.08530	13.7
144.09087	1.1
145.04933	1.8
145.06422	1.9
145.10091	18.5
147.08034	9.3
147.11652	11.3
149.05936	1.9
149.09572	6.4
149.13223	3.5
151.11147	12.3
153.09088	2.8
155.08537	5.5
156.09341	2.0
157.04945	6.9
157.10103	30.0
159.08006	1.7
159.11665	12.6
161.04401	1.4
161.09612	4.1
161.13240	6.1
162.20793	0.9
163.11150	3.7
165.09087	89.8
166.09505	2.3
167.08482	2.1
167.10674	8.9
169.10080	7.5
171.07973	2.1
171.11649	14.7
173.09514	2.0
173.13284	5.9
175.11197	1.9
175.14783	2.1
179.10641	53.7
181.10068	4.4
181.12196	6.4
183.10101	3.5
183.11688	4.3
184.12367	1.2
185.09570	2.0
185.13187	6.4
187.11131	2.4
187.14755	4.0
189.12733	2.4
191.10683	1.1
193.12242	1.8
194.10876	1.2
195.11632	5.9
196.12428	3.7
197.04404	1.4
197.13176	5.0
199.11165	1.0
199.14824	3.9
203.14328	1.4
207.11526	1.9
209.13260	5.0
211.14804	14.4
213.12912	2.1
213.16345	46.0
214.16666	2.2
215.05469	55.0
215.14336	1.9
215.17998	1.7
221.13193	2.7
223.14665	2.7
225.16356	4.0
227.17969	6.5
229.15843	6.5
231.13849	1.3
231.17435	4.6
233.06512	39.8
233.15399	1.1
235.14758	1.8
237.16373	4.5
239.17850	2.6
247.14627	1.1
249.16376	4.3
251.17868	7.7
253.19405	6.6
255.08498	1.2
255.17424	2.9
267.17422	5.0
269.18994	3.5
271.20517	4.1
279.20969	5.9
281.18924	1.2
281.22406	1.3
295.20444	1.7
297.22003	7.5
309.22247	1.7
315.23074	3.4
337.25348	1.5
365.28256	2.4
375.26712	17.9
393.27808	76.8
394.28357	5.7
411.28873	100.0
412.29349	8.1
429.29990	30.8
430.30161	3.0
459.59937	1.0
477.49182	1.1
555.32703	1.3
573.26312	1.3
573.34210	16.8
573.42657	2.0
591.35175	12.6
615.24170	1.4
661.26477	1.1
787.38531	2.8
805.25970	1.8
805.39856	26.3
806.39288	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	823.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	1.4
61.02908	1.3
65.03928	1.4
67.05495	9.1
68.99777	0.9
69.03419	45.6
69.07055	3.6
70.06601	2.0
71.01339	2.7
71.04982	36.0
71.31574	1.7
73.02900	2.8
75.04465	3.1
79.05478	8.5
81.03416	7.5
81.07044	13.6
82.52902	0.9
83.04966	20.6
83.08610	1.4
85.02892	57.5
85.06520	8.2
87.00805	13.5
87.04449	2.9
91.05468	10.5
93.07025	11.4
95.04977	6.5
95.08610	7.3
97.02894	5.2
97.06528	1.0
97.10145	1.1
99.04445	3.7
101.06000	1.8
103.05459	0.9
105.01845	13.3
105.07005	16.1
107.04939	1.9
107.08580	10.1
109.02851	8.9
109.06513	5.2
109.10132	8.7
111.04422	23.8
111.08067	3.1
113.66834	0.8
115.05472	1.2
117.06992	4.2
119.04905	1.2
119.08552	7.6
120.08067	1.1
121.06480	1.5
121.10132	13.6
123.04445	1.2
123.11736	2.1
124.07581	1.0
125.02311	0.9
125.09640	4.2
127.03896	12.5
128.06219	2.0
129.05461	39.5
129.06906	5.0
129.85840	0.8
131.08546	10.9
133.06499	1.1
133.10120	13.6
135.11684	3.6
137.09564	1.3
139.03891	2.4
139.07567	1.2
141.06952	2.6
141.09038	1.7
142.07761	3.7
143.08559	8.4
145.04980	4.8
145.05978	0.9
145.10100	12.0
147.06500	3.4
147.11665	20.8
148.07603	0.9
148.12041	1.2
149.09624	1.8
149.13252	2.5
151.03938	1.7
155.08562	3.5
157.04909	1.1
157.10091	31.2
159.02919	1.9
159.08063	1.0
159.11674	16.6
161.13251	3.7
165.09128	1.3
166.08630	1.6
167.07082	1.3
167.10664	2.2
169.10100	2.5
169.70306	0.9
171.11679	12.2
171.17339	0.8
173.13213	5.8
175.11186	2.0
181.10001	1.4
183.11682	5.7
185.13235	4.3
187.14819	1.7
189.03920	1.5
197.04529	0.9
197.13225	7.4
199.14825	1.8
201.16370	1.2
209.13223	2.6
211.08693	1.3
211.14830	6.3
212.15500	1.4
213.03914	2.2
213.16386	3.4
215.05455	9.9
215.17914	1.6
223.14851	2.0
224.15630	1.4
225.16383	2.6
227.17902	1.0
229.19415	1.0
231.04979	3.9
233.06511	11.0
237.07674	1.3
238.17151	2.1
241.13333	6.4
249.06047	1.6
249.16214	1.4
251.17990	4.5
253.19485	100.0
254.19757	4.7
255.08626	1.8
255.21130	3.9
267.20929	1.2
269.12860	3.5
269.18893	1.2
271.20520	28.3
272.20966	1.4
273.09598	1.1
279.20923	1.2
281.22577	1.1
297.22247	1.4
317.06616	1.3
327.22791	1.9
341.08475	1.1
363.26923	1.6
375.26791	1.5
377.28528	1.6
381.27930	2.4
393.27960	4.8
395.29352	2.9
399.24829	1.1
411.28775	9.3
413.30276	3.2
415.24634	1.0
429.29984	4.4
433.25742	2.3
519.25903	1.9
643.25360	1.0
661.26935	1.4
665.31116	1.9
713.33386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.6
59.51634	0.4
59.84462	0.3
61.02921	2.0
65.03920	1.0
67.05495	7.7
68.99770	1.2
69.03418	11.4
69.07049	1.3
71.01341	1.3
71.04980	50.4
73.02919	1.9
75.04461	3.4
77.03928	0.4
79.05481	5.1
81.03405	7.4
81.07039	9.4
83.04966	7.4
83.08611	1.0
83.93260	0.4
85.02892	85.7
85.06518	0.7
86.03223	0.6
87.00818	6.0
87.04462	1.8
91.05468	6.5
91.73100	0.4
93.07030	7.7
94.53875	0.4
95.04955	4.3
95.08586	6.3
97.02877	5.7
97.06513	1.6
99.04432	3.9
101.05978	0.6
103.03914	1.7
105.01845	9.6
105.06329	0.8
105.07010	12.9
106.70155	0.4
107.04918	0.6
107.08576	8.1
108.98040	0.4
109.02857	10.9
109.06494	5.8
109.10139	8.8
111.04427	9.2
111.05158	0.8
111.08084	0.5
113.05968	1.2
115.05449	0.9
117.01824	0.4
117.07011	3.6
119.08568	5.8
121.06465	1.3
121.10123	10.8
123.04392	1.7
123.08102	1.2
123.11689	1.8
125.09581	0.4
127.03896	16.9
127.07507	0.4
128.06189	1.1
129.01793	1.6
129.05455	24.5
129.06897	4.0
130.05777	0.4
131.08545	7.9
133.06427	0.6
133.10115	10.3
135.04364	0.4
135.08012	0.8
135.11676	2.3
137.05986	1.0
137.09584	0.6
139.03865	0.8
141.06947	2.2
141.09108	2.5
142.07751	4.6
143.08553	8.9
144.09296	0.9
145.04947	5.3
145.10100	11.3
147.02869	1.1
147.06523	4.8
147.11664	16.0
149.09508	0.5
149.13222	2.3
151.03885	0.8
151.07526	0.6
151.11169	0.6
153.05455	0.6
155.08559	3.0
155.80695	0.5
157.10104	25.6
158.10458	0.5
159.02884	3.2
159.11679	13.2
160.07632	0.4
161.13219	2.2
163.06071	0.5
163.07477	0.9
163.11147	0.5
165.09145	2.1
167.10683	0.6
168.09399	0.4
169.10063	2.7
171.02869	0.6
171.06500	0.8
171.11665	9.8
172.12015	0.5
173.04510	0.7
173.13260	4.1
175.11198	1.0
177.09087	0.4
177.12631	0.5
179.10646	1.6
181.08533	1.4
181.10051	0.7
182.10901	0.9
183.10158	0.9
183.11674	4.1
185.13231	2.9
189.03938	2.8
191.06946	0.5
195.06602	0.4
195.10072	0.5
195.11702	0.9
196.12442	0.9
197.13222	7.3
197.14925	0.6
199.14758	1.5
200.51196	0.4
209.13297	1.0
211.14810	4.8
212.15488	0.6
213.03845	3.2
213.07442	0.6
213.16301	1.4
215.05447	0.5
215.17928	0.7
223.14818	1.0
224.15529	1.5
225.16327	2.4
229.19489	2.1
229.99577	0.5
231.05009	7.1
231.08635	0.7
233.06468	1.0
237.07596	1.8
237.16264	0.9
238.17125	1.6
249.05981	2.3
251.17958	3.2
253.19478	100.0
254.19803	4.7
255.08582	1.3
255.20992	2.7
263.17749	0.5
265.19379	0.7
269.19073	1.2
271.20532	17.2
272.20764	0.8
273.05972	1.3
281.22610	0.7
283.24164	1.4
295.20370	0.5
305.22623	0.7
313.11566	0.8
313.21735	0.5
315.10690	1.0
323.23752	0.4
341.08359	0.8
355.26224	0.5
359.09531	0.8
373.13608	0.7
375.26688	0.8
377.10608	0.8
393.27853	5.4
395.29306	1.6
399.25146	1.8
411.28894	6.1
412.29123	0.6
413.30429	1.2
429.30099	2.4
430.30487	0.5
483.23645	0.7
501.24615	1.0
502.16525	0.4
519.25830	5.1
591.35443	0.5
611.23871	0.7
659.34375	0.8
665.30975	1.7
677.34729	1.9
805.38635	1.0
823.41174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	0.6
61.02913	0.6
65.03923	0.7
67.05493	6.2
68.99783	1.2
69.03419	86.8
69.07063	1.5
69.79793	2.1
70.03750	0.5
70.06602	0.5
71.01347	6.4
71.01737	0.3
71.04981	15.0
73.02916	0.9
74.09715	0.3
75.01166	0.3
75.04472	0.4
79.05481	4.6
81.03405	2.1
81.07042	8.7
81.52388	0.3
83.04969	26.8
83.08618	1.3
84.05292	0.3
85.02894	21.3
87.00815	19.5
87.04453	2.6
89.23754	0.3
91.05457	6.7
91.11913	0.3
93.07029	8.0
93.07584	0.6
95.04957	2.9
95.08584	5.6
97.02875	2.5
97.06523	1.6
99.04436	2.4
101.06004	1.9
103.05440	0.4
105.01847	16.3
105.07012	10.2
107.08574	6.8
108.08844	0.3
109.02877	1.3
109.06494	4.1
109.10136	7.4
111.04425	33.3
112.04753	0.4
113.05973	0.6
115.05453	0.8
117.06995	2.8
119.08560	5.7
120.08031	0.5
121.06458	0.9
121.10126	10.3
122.10516	0.4
123.04398	0.4
123.08090	1.2
123.11694	1.3
127.03891	3.1
127.41426	0.3
128.06181	1.7
129.05458	72.6
129.07007	3.9
130.05807	1.0
130.07822	0.4
131.08545	7.5
131.09451	0.6
133.10112	10.5
135.08022	0.4
135.11678	2.9
137.05980	0.6
141.06940	1.6
141.09065	2.2
142.07759	3.9
143.08546	9.9
144.09251	0.9
145.04938	1.8
145.10112	10.5
147.02882	0.4
147.11665	16.9
148.12106	0.4
149.13205	2.1
151.03905	0.3
154.07777	0.3
155.08556	2.4
157.10104	24.0
158.10463	0.4
159.11673	12.3
161.13229	2.7
163.06004	0.4
163.11092	0.9
165.09088	1.2
167.07056	0.5
167.08478	0.6
169.10074	2.6
171.11667	8.5
172.12119	0.4
173.13232	4.5
175.11166	1.0
175.14781	0.7
179.10703	0.5
181.08635	0.6
181.10120	0.6
182.10846	0.7
183.10150	1.2
183.11674	3.9
185.13248	2.8
186.13890	0.5
187.14761	1.1
195.10080	0.7
195.11659	1.0
196.12422	0.5
197.13216	4.9
198.13968	0.5
199.14774	1.4
201.16353	0.5
209.13242	1.1
211.14763	5.0
212.15594	0.8
213.16403	0.9
215.05470	7.1
215.17967	0.7
223.14792	0.9
224.15591	1.1
225.16283	2.3
227.17926	0.5
229.19366	2.4
233.06525	26.9
234.06944	0.4
235.14705	0.5
237.07587	0.6
237.16290	0.4
238.17075	1.4
239.17979	0.4
249.16354	0.6
251.17940	3.5
253.19479	100.0
254.19817	4.0
255.08493	1.3
255.21072	1.3
265.19373	0.5
269.18915	1.4
271.20526	24.0
272.20874	1.0
273.09616	0.7
281.22418	0.3
283.20941	0.4
283.24088	0.9
305.19229	0.4
305.22519	1.1
313.21475	0.4
314.03967	0.9
323.23697	0.5
329.06451	2.2
363.23096	0.4
373.13931	0.8
375.26517	0.7
377.10602	0.5
393.27798	4.4
394.27960	0.5
397.12723	2.9
398.13071	0.5
411.28860	5.0
413.30243	0.3
415.24728	0.6
429.29932	5.4
433.25879	2.8
485.25217	1.4
503.26260	1.2
573.33832	0.7
587.83533	0.3
591.35248	2.0
661.27948	0.3
665.31580	2.7
823.39771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.7
59.28789	0.4
65.03931	1.4
67.05491	7.0
68.99786	1.2
69.03420	98.4
69.07052	1.8
70.03758	0.8
70.06587	0.6
70.72613	0.5
71.01340	5.8
71.04983	16.8
71.70276	0.7
73.02901	0.8
79.05484	5.9
81.03388	2.3
81.07042	8.2
83.04968	32.8
83.08593	0.8
85.02893	25.0
87.00820	19.8
87.01362	0.8
87.04451	3.6
89.64760	0.5
91.05464	7.4
93.07030	8.8
95.04942	3.8
95.08600	6.7
97.02879	2.1
97.06516	2.1
99.04425	2.3
101.06004	1.8
105.01849	18.3
105.07016	12.0
107.04965	0.9
107.08583	8.7
109.02875	1.3
109.06498	5.7
109.10137	9.9
111.04428	36.9
113.06010	0.7
115.05434	0.9
117.07004	4.3
119.08559	6.7
119.90277	0.5
120.08037	0.7
121.06487	1.1
121.10126	10.4
123.04424	1.3
123.08035	1.3
123.11683	1.8
127.03898	4.1
128.06218	1.9
129.05461	81.4
129.07008	5.4
130.05817	0.8
130.07768	0.6
131.08556	9.3
133.10112	11.2
133.11121	0.5
135.11644	3.1
136.07529	0.7
137.05962	1.8
137.09584	0.9
139.03912	0.7
141.06998	1.9
141.09076	3.0
142.07747	5.4
143.08548	9.9
144.09259	0.6
145.04919	1.4
145.10109	11.7
146.05853	0.5
147.06538	0.7
147.11661	19.9
149.13245	2.1
151.03888	0.6
153.01855	0.6
153.05484	0.7
155.08527	3.3
156.09334	0.8
157.10112	31.0
158.10457	0.7
159.11676	17.1
161.13222	1.9
163.03874	1.6
163.11131	0.5
163.14714	0.6
165.09081	1.4
167.07063	1.0
168.09364	0.5
169.10115	2.5
171.10349	0.9
171.11662	9.3
173.13254	4.7
175.11191	1.4
177.05487	0.7
177.09088	0.6
181.10170	0.8
183.10156	1.0
183.11617	4.0
185.13251	3.0
187.14816	1.1
195.10159	0.8
195.11713	1.0
197.13239	6.5
198.13750	0.5
199.14786	1.4
201.16411	0.6
207.06670	0.5
209.13208	0.8
211.14772	5.7
212.15573	0.8
213.16364	1.1
215.05450	8.0
215.17863	0.9
223.14893	0.8
224.15598	1.4
225.16385	2.7
227.11736	0.6
229.19550	2.4
233.06529	31.0
234.07092	0.6
238.17126	1.4
251.17958	3.2
253.19482	100.0
254.19875	3.5
255.08415	1.3
255.11104	1.2
255.21098	1.4
269.18982	1.0
271.20529	27.2
272.20914	0.9
273.09546	1.6
283.24249	0.9
305.22617	0.7
323.23642	0.7
329.06519	0.8
353.13736	1.1
354.13992	0.7
373.13873	0.7
375.26547	0.5
385.09149	1.5
393.27765	4.8
395.12177	0.6
397.12976	0.9
411.28925	5.9
429.11713	1.8
429.30045	3.5
433.25958	3.2
485.25006	1.7
503.26254	0.7
557.34180	0.5
591.34479	1.6
665.31677	2.6
805.38806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67031	0.4
59.04980	0.9
61.02921	0.9
65.03935	1.0
67.05492	7.0
68.99781	0.9
69.03417	94.7
69.07052	1.4
70.03750	0.8
70.06578	0.5
71.01334	7.2
71.04980	16.5
73.02934	0.5
75.04461	0.8
79.05483	6.6
81.03422	2.0
81.07044	8.8
83.04965	32.0
83.08621	1.0
84.05289	0.5
85.02891	26.4
85.06541	0.7
86.03265	0.5
87.00815	20.6
87.04445	2.9
91.05461	7.6
93.07028	9.2
95.04966	3.0
95.08584	5.4
97.02879	2.3
97.06505	1.9
99.04431	2.6
101.06001	2.5
105.01135	0.8
105.01848	17.4
105.07008	11.8
105.07717	0.6
107.04938	1.0
107.08578	8.2
109.02868	1.1
109.06493	5.6
109.10145	8.0
111.04424	35.8
112.04742	0.7
113.06003	0.8
115.05470	0.9
117.06995	3.4
119.08559	5.6
121.06506	1.5
121.10128	13.1
122.05938	0.4
122.41315	0.4
123.04414	0.7
123.08054	0.5
123.11686	1.8
127.03880	3.0
128.06189	1.5
129.05457	75.9
129.07011	4.7
130.05794	0.9
130.07762	0.6
130.31644	0.4
131.08545	7.8
131.09465	0.7
133.10104	10.9
133.47108	0.5
134.06125	0.5
135.04401	0.6
135.08113	0.7
135.11659	3.3
137.05884	0.4
137.09586	0.6
139.03940	0.6
140.74547	0.5
141.06969	1.6
141.09097	2.0
142.07729	5.4
143.08542	9.3
144.09232	0.5
145.04950	1.8
145.06400	0.5
145.10088	11.7
147.04405	0.5
147.11658	18.5
149.09575	0.5
149.13225	1.9
151.03914	0.8
151.11159	0.5
155.08513	3.0
156.09357	0.7
157.10094	30.0
158.10426	0.7
159.11678	15.3
160.12025	0.6
161.09602	0.6
161.13249	3.1
163.03964	0.6
163.07494	0.6
165.05606	0.4
165.09013	0.9
166.08713	0.5
167.07182	0.5
167.08501	0.6
168.09288	0.7
169.10062	2.9
171.11667	10.0
172.12222	0.4
173.13261	4.7
175.11168	0.7
175.14876	0.4
179.10786	0.6
181.10139	0.7
182.10841	0.6
183.10170	0.9
183.11674	4.7
185.13220	3.5
187.14792	1.2
188.75772	0.4
191.07037	0.5
195.11653	1.6
196.12421	0.7
197.13237	6.8
199.14816	1.2
204.06438	0.6
209.13260	1.2
210.13910	0.7
211.14774	4.2
212.15422	0.5
213.16318	1.0
215.05479	10.3
223.14873	0.9
224.15611	1.1
225.16347	2.0
227.17929	0.6
229.19466	2.3
233.06519	30.4
234.06888	0.7
238.17117	1.7
239.17886	0.7
245.13237	0.4
251.17943	3.1
253.19475	100.0
254.19801	4.1
255.08746	0.9
255.21031	1.5
269.18915	1.6
271.20532	26.3
272.20828	1.1
273.09619	0.7
283.24152	1.0
305.22815	0.7
313.11749	0.6
354.14114	0.5
373.13843	0.9
375.26596	0.8
385.09103	1.1
393.27957	4.5
411.28888	6.0
429.11652	1.6
429.29819	4.2
433.25888	3.1
485.25388	0.9
503.25809	0.8
573.34442	0.7
591.34814	1.5
665.32202	2.4
773.29547	0.5
805.40045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	2.4
61.02912	2.8
65.03915	3.1
67.05489	37.8
68.99767	1.8
69.03419	79.5
69.07051	6.8
70.06560	4.3
70.12110	1.9
71.01337	4.4
71.04978	58.9
71.69333	2.1
73.02898	3.9
79.05479	18.8
81.03394	11.5
81.07042	50.8
83.04963	35.8
83.08598	7.1
85.02887	84.9
85.06522	26.3
87.00813	17.8
87.04446	5.3
91.05463	20.1
91.50076	2.1
93.07029	25.5
95.04949	29.9
95.08586	21.6
97.02876	8.2
97.06521	4.9
99.04452	12.1
99.08088	3.0
101.06018	2.3
105.01855	19.1
105.07018	20.7
107.04964	4.9
107.08558	14.8
109.02866	50.1
109.06490	9.0
109.10133	20.6
110.06854	1.9
111.04426	28.9
113.05980	4.0
115.05455	2.3
117.06997	8.2
119.08571	16.3
121.06485	9.0
121.10143	10.9
123.04413	60.9
123.08067	13.0
123.11678	5.5
124.05204	2.2
125.05954	4.7
125.09609	17.2
127.03873	12.0
128.06189	3.8
129.05466	65.5
129.06976	6.0
131.08540	19.0
133.10121	18.2
135.08029	4.8
135.11662	4.9
137.05972	5.3
137.09564	12.5
139.03889	2.9
139.11195	6.3
141.09053	19.1
142.07802	4.8
143.08553	10.5
145.04945	6.2
145.10103	18.8
146.10382	2.0
147.06471	5.0
147.08012	8.6
147.11646	10.6
149.09634	5.3
149.13278	3.9
151.11162	12.6
155.08516	4.2
156.09224	2.8
157.10088	24.2
159.08035	2.3
159.11732	11.5
161.09639	5.3
161.13266	5.5
163.11179	5.3
165.09094	82.4
167.10663	6.2
169.10109	6.1
171.11693	12.8
173.04581	2.4
173.13329	4.5
175.11150	2.6
177.12823	2.3
179.10641	58.0
181.10211	2.3
181.12230	7.3
183.10144	5.7
183.11752	5.9
184.07399	6.0
185.13219	6.9
187.11061	2.0
187.14793	5.2
191.10620	2.2
195.11626	2.6
197.13205	4.1
199.14871	2.3
207.11816	3.1
211.14833	13.7
213.03932	3.1
213.16350	49.9
215.05472	2.9
223.14664	2.1
225.16386	4.5
227.17953	6.9
229.16016	3.7
230.98154	2.0
231.04985	3.6
231.17493	3.3
233.06541	19.3
235.14754	3.1
237.16298	4.5
239.17964	3.7
249.16418	4.0
251.17923	6.7
253.19536	7.1
260.71280	2.2
267.17532	3.1
271.20563	3.0
277.19415	2.5
279.21118	4.7
297.22110	8.5
315.22940	2.4
337.25287	4.2
375.26743	16.4
393.27817	83.3
394.28366	4.3
411.28867	100.0
412.29565	3.3
429.29959	31.8
450.16507	4.6
463.30615	4.0
464.30746	9.1
555.98767	2.1
573.34290	12.0
575.45093	2.2
591.35571	9.4
659.34503	9.6
661.27594	2.6
677.35254	4.3
787.39166	2.7
805.40167	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	81.5
69.03407	8.2
69.07069	20.8
69.72009	17.9
70.06571	11.6
71.04967	11.7
73.02877	2.6
79.05482	43.5
81.03403	79.7
81.06606	5.0
81.07048	62.2
83.04963	9.8
83.08619	24.3
85.02880	8.5
85.06534	6.7
86.09699	4.8
91.05470	42.0
93.07030	47.8
95.04958	34.9
95.08598	33.3
97.02855	5.0
97.06528	9.6
97.10149	16.1
105.07030	42.9
107.04929	14.9
107.08576	34.4
109.02860	3.9
109.06509	6.4
109.10138	37.1
111.04425	3.0
111.08060	9.5
115.05471	3.2
117.06998	11.0
119.04961	3.1
119.08552	39.5
121.06477	9.4
121.10125	17.1
123.04453	3.1
123.08037	10.1
123.11686	4.5
125.09594	12.0
127.03819	2.9
129.06981	14.3
131.08540	26.3
133.06470	7.5
133.10107	21.2
134.27400	2.4
135.08037	8.4
135.11699	9.1
135.26566	2.6
136.87254	2.5
137.05937	2.8
137.09564	4.8
139.03848	3.1
139.11182	2.8
141.07001	2.7
143.08517	9.8
145.06488	4.1
145.10072	17.0
147.08014	6.6
147.11644	18.8
149.09543	14.4
149.13272	6.1
151.11172	4.0
155.08513	2.9
157.10091	20.7
159.11682	9.2
161.05952	4.6
161.09558	3.8
161.13254	4.6
163.11165	6.8
163.91206	2.8
165.12772	3.5
169.10101	3.7
171.11639	4.1
173.11682	10.9
173.13200	5.1
175.11162	9.2
177.12794	3.0
184.07300	4.1
189.11156	8.2
193.12242	22.5
195.11604	2.9
195.13702	3.0
197.13206	4.0
199.14792	3.4
213.12746	3.5
219.10147	3.3
223.13142	2.8
227.12814	7.5
227.16586	3.1
229.14278	36.6
253.19482	3.3
267.15875	100.0
268.16251	3.5
269.17493	10.8
273.18536	2.9
275.20050	19.6
291.19525	3.6
293.21048	5.3
349.23587	18.6
367.24783	18.6
369.24240	4.1
403.24722	4.9
421.25842	44.7
443.27728	7.9
445.16632	3.1
447.27310	10.0
449.30417	3.7
459.27524	2.8
461.28937	65.0
465.28476	13.7
467.31519	4.3
479.30286	4.8
493.31607	28.1
541.35107	54.9
542.35559	2.9
559.36145	61.6
579.86041	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	824.55
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.5
67.05495	57.4
69.07059	23.1
69.32431	14.5
69.32857	20.9
71.04980	5.5
79.05477	50.0
81.07040	44.7
83.08591	10.4
91.05462	63.2
93.07026	47.2
93.16572	2.9
95.04951	9.3
95.08584	40.5
97.06509	5.6
97.10162	4.0
98.21472	5.9
105.07011	57.7
107.08573	30.7
108.12135	3.0
109.06509	5.9
109.10109	14.4
117.06998	26.9
119.08571	35.4
121.10099	25.9
123.11690	4.3
125.09614	3.0
128.06186	6.7
129.07013	16.1
131.08542	28.1
133.10080	23.9
133.64522	2.7
135.11681	9.4
141.06935	6.7
142.07764	4.8
143.08525	17.0
145.10106	26.7
147.11667	17.0
155.08501	13.2
157.10028	19.1
159.11615	21.1
161.13260	3.6
163.14778	4.0
168.22635	3.5
169.10092	15.2
171.11664	16.9
173.13232	9.7
175.14830	4.2
179.08551	4.2
181.10092	8.8
182.10800	3.9
183.11632	16.3
184.07248	5.9
185.13239	9.0
186.31453	2.7
187.14760	6.1
195.11688	10.2
197.13249	14.0
199.14778	8.7
209.13187	6.1
211.14780	6.5
213.16353	5.0
215.18030	3.1
225.16397	3.6
227.17915	4.1
237.16492	3.0
239.17911	6.5
257.19016	4.6
259.20554	3.9
281.46729	3.3
318.68152	3.2
333.24469	5.2
335.25839	3.1
346.11609	3.1
392.55029	3.0
407.28891	3.0
517.40247	7.1
535.41663	5.4
553.64020	3.0
591.43701	9.2
609.45050	100.0
610.45367	8.3
825.43860	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	824.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04969	1.8
64.91838	1.5
65.03918	4.2
67.05493	91.0
69.03417	6.8
69.07053	25.4
69.34300	2.8
69.34650	20.6
71.04974	3.8
75.08823	1.8
78.34460	1.8
79.05480	84.2
81.03400	7.1
81.07044	78.0
82.07359	2.2
83.04987	8.0
83.08601	31.9
85.02877	5.7
85.06541	4.4
91.05465	50.8
93.07030	78.1
95.04944	9.7
95.08590	55.4
97.02866	2.8
97.06525	7.5
97.10152	51.5
98.21487	3.7
105.07011	49.0
107.04935	4.9
107.08578	88.0
108.08932	1.8
109.02883	2.1
109.06483	4.9
109.10144	29.6
111.08052	6.0
111.87641	1.6
112.61719	1.6
115.05450	1.9
117.06992	15.1
119.08549	28.4
121.10125	25.1
123.08091	2.1
123.11676	8.4
125.09615	46.2
127.03851	2.5
129.06993	4.6
131.08548	20.8
133.10107	31.0
135.08018	7.1
135.11665	21.0
137.09561	2.7
137.13223	1.9
143.08537	5.5
143.10687	2.9
145.10094	22.5
147.08025	1.9
147.11664	19.3
149.09590	8.2
149.13232	9.5
153.09114	4.3
157.10094	5.9
159.11679	16.3
161.12097	1.8
161.13185	9.4
163.11060	1.8
163.14812	3.1
165.12761	2.1
169.10132	3.4
171.10239	3.0
171.11658	4.8
173.11739	3.2
173.13231	7.7
175.14763	2.5
177.12665	2.0
181.12169	2.6
183.11757	2.3
185.13255	3.2
186.68459	1.6
187.14822	4.3
189.11200	29.0
197.13335	1.8
199.14828	2.9
201.16368	1.9
213.16357	3.1
227.12752	60.2
237.16260	1.9
239.18034	4.2
243.20978	4.5
245.13733	4.6
247.20573	1.9
257.18976	11.7
259.20535	5.0
261.22159	20.1
275.20013	44.5
276.20328	2.2
317.24561	3.0
331.22510	5.7
333.24106	3.9
335.25739	100.0
336.25964	3.2
339.09769	1.7
342.87808	1.6
349.23688	44.5
350.23984	2.6
351.25455	3.2
389.18243	4.5
431.31772	2.1
487.34106	3.5
505.35211	25.8
609.45026	97.6
610.45886	8.6
627.46027	12.4
640.77289	1.8
649.39197	2.6
825.47308	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	824.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	2.1
65.03925	4.8
66.07190	1.1
67.05492	96.1
69.03416	7.7
69.07056	28.2
69.35279	15.1
71.04987	5.8
73.02898	2.0
74.56691	1.1
77.03914	1.4
79.05479	73.6
80.05807	1.3
81.03397	12.5
81.07042	100.0
83.04967	10.0
83.08606	13.8
85.02888	6.6
85.06524	3.8
90.68338	1.1
91.05463	52.0
93.07027	78.5
95.04948	14.3
95.08588	56.8
97.02897	3.8
97.06515	11.9
97.10157	6.2
98.21574	1.8
99.04450	1.4
99.08072	4.8
103.05464	1.6
105.04491	2.0
105.07010	38.3
107.04929	6.2
107.08577	45.7
109.02862	1.5
109.06519	5.7
109.10145	20.3
111.08040	4.9
113.05978	1.4
115.05453	1.9
117.06989	17.3
119.08560	30.9
119.09395	1.6
121.06506	4.4
121.10129	29.0
123.08047	4.0
123.11674	6.7
125.09599	3.2
127.03900	2.2
128.06177	1.4
129.06996	5.2
131.08557	24.3
133.06482	1.4
133.10103	21.2
135.08035	4.0
135.11668	18.5
137.09663	1.6
139.11203	1.8
141.06958	1.9
143.08516	4.7
144.09375	1.2
145.06468	1.2
145.10098	15.6
147.08070	2.0
147.11667	11.2
149.09589	9.8
149.13229	16.0
151.11179	2.2
155.08524	3.4
157.10088	3.2
159.11673	16.8
161.13243	5.8
163.11096	6.0
163.14813	3.4
165.12614	1.4
169.10077	1.9
171.11646	4.0
173.04463	1.4
173.13202	6.8
175.11208	1.4
175.14751	2.6
177.12708	3.3
179.14276	1.9
183.11766	1.5
185.13208	3.7
187.14751	2.0
195.13760	6.4
197.13284	1.7
201.16295	1.8
210.56076	1.4
215.18024	1.2
227.12863	1.5
235.16838	1.4
239.18018	2.0
243.21013	3.0
247.20667	1.9
251.16356	1.9
255.15903	8.4
257.19006	6.0
259.20566	2.1
261.22128	13.2
267.15912	2.4
269.17419	31.7
275.20010	20.3
293.21030	1.6
311.23602	1.4
331.22565	1.6
333.24323	2.2
335.25739	81.0
336.26199	4.3
349.23697	18.4
367.24817	2.4
372.15866	1.5
407.81970	1.2
437.34259	1.5
515.37061	14.4
516.37225	1.6
517.40186	1.5
529.38800	65.4
530.38916	4.0
569.41510	4.0
579.82117	1.2
609.45142	17.3
610.45276	2.5
627.46039	5.7
733.70282	1.3
786.10303	1.2
794.28040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.5
61.02911	1.4
65.03927	0.8
67.05495	13.2
68.99767	0.6
69.03415	11.0
69.07049	2.9
70.06562	0.8
71.01340	1.2
71.04978	53.7
71.69234	0.4
71.69672	0.5
72.05312	0.3
73.02897	2.4
75.04463	3.2
79.05480	6.8
81.03400	8.8
81.07037	10.5
82.07408	0.4
83.04970	7.6
83.08603	1.8
85.02889	88.6
85.06524	10.7
86.03232	0.7
87.00813	7.4
87.04448	2.2
91.03943	0.4
91.05463	8.2
93.07024	9.4
95.04956	7.2
95.08586	7.9
97.02871	6.6
97.06508	1.4
97.10145	1.5
99.04433	4.8
99.08090	0.5
101.05998	0.4
103.03914	1.6
103.05398	0.3
105.01849	9.4
105.07007	11.9
107.04928	0.6
107.08578	9.1
108.08839	0.4
109.02859	10.6
109.06492	4.4
109.10131	9.3
111.04424	6.6
111.08060	0.8
111.11718	0.3
113.05985	5.1
115.05450	0.8
115.07542	0.8
117.01834	0.7
117.06995	4.0
119.08561	7.2
120.08949	0.4
121.06483	2.7
121.10118	12.2
123.04410	0.7
123.08034	1.9
123.11689	2.0
125.09625	2.0
127.03890	18.7
128.06166	1.3
129.01808	1.7
129.05457	19.5
129.06917	4.9
129.48299	0.4
130.07788	0.6
131.07042	0.7
131.08540	10.5
133.10107	12.8
134.10507	0.5
135.08035	0.7
135.11671	3.4
137.09555	0.9
139.03859	0.7
141.06970	2.2
141.08974	0.5
142.07770	5.1
143.08545	10.1
143.10625	3.3
144.09261	0.5
145.04930	5.9
145.10097	13.5
147.02885	1.7
147.04388	0.3
147.06493	3.7
147.11655	18.2
148.11946	0.5
149.09608	1.0
149.13251	2.2
151.03880	0.6
151.11160	0.8
153.05432	0.4
155.08563	2.8
156.09294	0.5
157.04945	0.6
157.10100	33.4
158.10529	0.4
159.02847	4.1
159.11661	16.1
161.13228	4.3
163.11099	1.0
165.05518	0.4
165.09091	1.1
167.10638	1.1
168.09300	0.4
169.04898	0.4
169.10107	4.3
171.06528	0.6
171.11659	9.6
172.12083	0.4
173.04399	0.8
173.13228	4.6
175.11162	2.4
175.14845	0.5
177.05484	0.4
177.12715	0.6
178.11119	0.4
179.10678	0.7
181.10086	0.4
182.10825	0.5
183.10124	0.6
183.11644	4.8
184.12198	0.5
185.13240	4.3
186.13933	0.4
187.14787	1.2
189.03922	2.8
191.07002	0.5
195.11649	1.1
196.12401	1.0
197.13214	7.3
198.14000	0.5
199.14772	2.4
201.16324	0.7
209.13226	1.2
211.14778	6.2
212.15317	0.6
213.03934	3.5
213.16313	3.5
215.17802	0.7
223.14732	1.0
224.15556	1.5
225.16367	3.1
227.18005	0.5
229.15839	0.5
229.19551	1.0
231.04964	6.5
231.08498	0.6
233.06477	0.5
237.07527	2.7
237.16397	0.9
238.17125	2.2
239.17923	0.8
249.06050	3.0
249.16257	0.6
251.17882	3.9
253.19469	100.0
254.19984	2.4
255.08519	1.4
255.21019	3.5
263.17834	0.6
265.19440	0.9
267.20853	0.5
269.18863	0.8
271.20508	28.8
272.20770	0.7
273.06009	1.0
275.07553	1.0
279.20953	0.5
281.22565	0.9
283.24081	2.3
295.20273	0.9
297.22134	0.4
313.21622	1.2
315.10733	1.0
323.23724	0.7
337.25116	1.0
341.08557	1.4
355.26279	4.5
356.26645	0.4
359.09561	1.3
359.27338	0.7
363.22964	0.5
377.10635	1.2
377.28189	2.1
381.24036	0.4
393.27777	1.1
394.28137	0.4
395.29364	12.0
396.30032	0.3
397.30759	0.8
399.25171	2.0
411.29056	1.8
413.30435	15.4
414.30591	0.4
431.31464	14.3
432.31647	0.7
483.23349	0.6
501.24573	1.1
517.24713	0.4
519.25696	6.4
525.27118	0.4
603.31122	2.1
643.34344	0.5
659.33618	1.5
661.35657	8.8
665.31451	3.1
677.34857	1.3
679.36853	5.7
749.37946	2.6
763.42804	0.4
807.28333	0.5
807.41443	7.6
808.40674	0.7
823.77173	0.4
825.41400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.9
65.03942	1.9
67.05492	13.4
68.99770	0.9
69.03417	9.8
69.07050	3.3
70.06570	0.5
70.26656	1.6
71.01342	1.4
71.04980	55.0
72.05299	0.8
73.02910	2.8
75.04466	3.6
77.03879	0.4
79.05479	7.0
81.03403	8.5
81.07040	11.5
83.01330	0.4
83.04967	8.2
83.08620	2.0
85.02891	87.2
85.06532	10.0
86.03223	1.5
86.47079	0.3
87.00811	7.2
87.04448	2.6
91.03954	0.5
91.05463	7.9
93.07032	10.3
95.04958	7.0
95.08586	7.5
97.02877	7.4
97.06516	1.0
97.10163	1.7
99.04429	4.9
101.05984	0.5
103.03944	1.3
103.05475	0.7
105.01849	9.5
105.02522	0.7
105.07014	12.4
106.07340	0.8
107.04919	0.6
107.08578	9.9
109.02860	13.7
109.06496	5.0
109.10139	10.2
110.03201	0.5
111.04428	7.4
111.08078	0.8
111.11662	0.5
112.04749	0.3
113.05984	5.3
115.03927	0.6
115.05424	0.9
115.07560	1.0
117.01830	0.6
117.06996	3.6
119.08558	7.8
120.08930	0.5
121.06507	3.0
121.10129	12.9
121.19355	0.4
123.04428	2.7
123.08055	1.8
123.11670	2.1
124.04739	0.7
125.02339	0.7
125.05984	0.4
125.09595	2.1
126.84292	0.3
127.03899	20.7
128.06203	1.2
129.01836	1.4
129.05460	19.4
129.06921	5.2
130.05788	0.4
130.07753	0.5
131.07063	0.6
131.08543	9.8
133.10109	12.9
135.04378	0.5
135.07997	0.7
135.11658	3.6
137.09598	1.1
139.03888	0.7
139.11127	0.4
141.06966	1.7
141.09087	0.9
142.07758	4.5
143.08546	11.1
143.10641	4.5
144.09247	0.7
145.04935	6.1
145.10103	12.3
146.10458	0.5
147.02808	2.0
147.06505	4.3
147.07719	0.5
147.08092	0.4
147.11662	19.7
148.12015	0.4
149.05884	0.4
149.09615	1.4
149.13243	3.4
151.03888	0.7
151.11221	0.8
153.05440	0.5
155.08531	3.1
156.09293	0.7
157.10101	31.3
158.10498	1.5
159.02867	4.5
159.08075	0.5
159.11671	18.2
160.12057	0.6
161.13249	3.5
163.11145	0.8
163.14824	0.4
165.09106	3.4
166.09433	1.0
167.10704	0.8
168.09192	0.4
169.10089	3.5
171.06520	1.0
171.10197	0.5
171.11668	9.6
172.12085	0.5
173.04420	0.6
173.13245	5.0
175.11122	2.1
175.14836	0.5
177.12747	0.4
179.10605	2.4
179.14232	0.5
180.10994	0.7
181.04944	0.5
181.10052	0.8
182.10915	0.8
183.10162	0.6
183.11667	4.4
185.13225	4.1
186.14058	0.4
187.14813	1.3
189.03934	3.3
195.11641	1.1
195.13385	0.3
196.12402	0.8
197.13220	7.5
198.13896	0.8
199.14793	2.9
201.16284	0.6
207.11494	0.4
209.08102	0.3
209.13184	0.9
211.14790	5.9
212.15366	0.8
213.03903	4.3
213.07364	0.3
213.16330	4.3
214.16690	1.1
215.18024	0.9
217.15735	0.5
221.13191	0.3
223.14796	1.3
224.15564	1.7
225.16347	2.9
227.17874	0.8
229.16011	0.5
229.19463	1.5
231.04950	8.2
237.07504	2.6
237.16307	0.7
238.17043	1.6
239.17879	1.0
249.06079	3.2
249.16354	0.9
251.17899	4.2
253.19478	100.0
254.19940	5.4
255.08623	1.5
255.21080	2.8
265.19434	0.5
267.20862	0.7
269.18933	1.1
271.20529	25.3
272.20874	1.2
273.05972	1.0
279.20874	0.8
281.22519	1.0
283.24127	2.6
307.20694	0.5
313.21646	0.8
315.10724	1.5
327.23093	0.5
337.25180	1.2
341.08591	1.5
355.26291	4.4
359.09930	1.8
359.27234	0.6
363.23233	0.6
375.26642	0.5
377.10648	1.1
377.28299	2.6
381.24036	0.6
393.27768	2.2
394.28079	1.1
395.29352	13.1
396.29623	0.7
397.30801	1.0
399.25168	2.0
411.28967	2.7
412.29196	1.2
413.30396	15.0
414.30615	0.7
417.26361	0.6
429.30194	0.5
431.31516	13.1
432.31683	0.8
501.24591	0.4
519.25775	7.0
603.31873	2.0
643.33868	0.6
659.34167	2.1
661.25238	0.8
661.35730	10.6
662.35675	0.7
665.31610	2.6
677.34723	1.3
679.36707	7.0
749.37555	2.7
755.56702	0.5
763.41956	0.9
807.41412	9.2
808.41455	0.7
825.42761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.6
61.02905	0.8
65.03921	0.9
67.05492	15.4
69.03416	10.6
69.07065	2.9
70.84909	1.6
71.01345	1.7
71.04980	53.0
72.05320	0.5
73.02892	2.9
75.04474	3.5
79.05487	5.9
81.03403	8.2
81.07040	10.7
83.04963	8.7
83.05412	0.8
83.08604	1.5
85.02888	91.9
85.06530	9.2
86.03220	1.6
87.00806	6.4
87.04460	2.3
91.05466	8.4
92.27151	0.6
93.07031	10.9
95.04945	8.3
95.08586	7.9
97.02869	7.8
97.06510	1.8
97.10160	1.3
99.04440	5.7
103.03927	1.3
103.05432	0.9
105.01853	10.1
105.07008	11.3
107.04922	1.3
107.08579	10.2
109.02857	12.9
109.03620	0.6
109.06480	4.2
109.10131	9.8
110.03188	1.0
111.04426	5.6
111.08055	0.6
113.06001	6.6
115.05412	0.8
115.07513	0.5
116.15954	0.6
117.01851	0.9
117.06994	4.1
119.08568	7.3
121.06497	3.0
121.10121	13.0
123.04438	3.6
123.08054	2.2
123.11700	1.7
124.04737	1.1
125.02338	0.6
125.06008	0.7
125.09608	1.5
127.03893	19.8
128.06238	1.5
129.01784	0.8
129.05463	18.0
129.06929	4.3
131.08545	11.3
131.54599	0.5
133.10109	13.3
135.04449	0.6
135.08061	1.5
135.11656	3.7
137.06003	0.7
137.09595	1.4
139.03911	0.9
141.06932	1.7
141.09061	0.7
142.07755	4.3
143.08545	9.2
143.10634	3.6
144.09288	0.8
145.04924	6.1
145.10077	12.6
147.02823	1.4
147.06502	4.7
147.07565	0.7
147.11661	18.3
149.05959	0.6
149.09564	1.4
149.13249	2.7
151.11143	0.9
155.08524	2.8
156.09393	0.6
157.10101	32.5
158.10417	1.0
159.02878	4.0
159.11665	15.2
161.09665	0.7
161.13239	3.6
163.11125	0.8
165.09106	3.3
166.09492	0.7
167.10698	1.3
169.10066	4.2
171.06364	0.7
171.11647	10.0
173.13242	4.1
175.11115	1.6
175.14821	1.0
179.10648	2.4
180.10910	0.9
181.10095	0.8
183.10236	1.0
183.11627	3.6
185.13208	4.3
187.14839	1.0
189.03903	3.0
191.06926	0.7
195.11690	1.0
196.12236	0.9
197.13240	6.4
199.14830	2.9
201.16374	0.8
209.13145	1.5
211.14780	5.3
212.15344	0.8
213.03947	3.1
213.16322	5.4
214.16814	0.7
215.17848	1.1
223.14847	1.0
224.15556	1.2
225.16341	2.5
227.17964	0.8
229.19478	1.6
231.04955	6.5
233.06589	0.6
237.07571	2.1
237.16431	1.2
238.17149	1.8
239.17876	0.7
249.06015	2.8
251.17917	3.4
253.19475	100.0
254.19957	2.3
255.08618	2.0
255.21016	3.9
269.18909	0.9
271.20508	26.7
272.20700	0.6
273.05954	0.7
277.19485	0.8
281.22440	0.9
283.24063	2.7
297.22134	0.7
315.10611	1.1
323.23715	0.7
325.25119	0.9
337.25204	1.1
341.08789	0.9
355.26328	3.8
359.09583	1.9
377.10861	1.1
377.28040	2.1
393.27740	3.1
394.28165	2.5
395.11975	0.6
395.29324	11.9
397.30954	0.9
399.25201	2.2
411.28900	2.5
412.29041	2.1
413.30417	14.3
431.31454	11.4
491.09772	0.8
501.25131	1.3
518.80066	0.7
519.25806	7.0
527.29474	0.6
603.31439	1.7
643.33911	1.0
659.33545	2.1
661.35608	8.9
665.31635	4.1
677.35406	1.2
679.36896	6.6
749.36987	2.6
807.27600	0.8
807.41370	8.2
825.41675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.8
61.02909	1.0
63.95360	0.6
67.05494	12.2
68.99781	1.0
69.03418	81.4
69.07074	3.8
69.40784	2.3
69.41207	6.2
70.03741	0.9
70.06570	2.9
71.01340	5.4
71.04980	26.5
72.08184	1.1
73.28672	0.8
75.04457	1.7
79.05492	5.9
81.03412	3.4
81.07036	10.5
83.04967	27.1
83.08601	1.8
85.02892	25.5
85.06531	9.2
86.09693	1.0
86.71661	0.9
87.00326	1.5
87.00816	17.0
87.01311	1.7
87.04450	4.6
91.05467	9.0
93.07028	12.4
95.04939	5.2
95.08599	7.9
95.09579	0.8
97.02879	2.9
97.06519	1.6
97.10152	1.6
99.04436	2.5
101.05979	2.1
105.01847	16.1
105.07014	11.6
107.08585	9.3
109.02866	2.4
109.06509	2.9
109.10142	10.3
111.04425	34.1
111.08071	0.9
112.04733	1.1
113.05974	3.7
115.05527	1.2
117.06979	4.0
119.08549	8.1
121.06470	1.3
121.10128	13.9
123.08030	1.2
123.11709	1.7
125.09587	1.8
127.03879	5.1
128.06186	1.5
129.05455	69.6
129.07014	4.2
130.05800	1.3
131.08554	8.0
133.10100	11.1
134.10454	1.4
135.08095	1.1
135.11664	3.7
139.03888	1.1
141.06924	1.1
142.07744	2.6
143.08545	11.7
143.10669	3.1
145.04971	2.0
145.10098	9.9
147.11653	18.9
149.09608	1.4
149.13239	2.3
155.08525	2.5
157.04865	1.2
157.10098	25.7
158.10440	1.3
159.11670	16.3
161.13264	4.0
163.11113	1.5
165.09132	1.6
167.10641	0.9
169.10098	2.9
171.11642	8.9
173.13289	5.3
175.11133	1.7
181.10159	0.9
182.10950	1.2
183.11658	4.7
185.13289	4.2
197.13194	6.5
199.14796	1.7
201.16368	1.2
209.13245	1.1
211.14799	5.4
213.16473	2.0
215.05482	9.2
215.17964	1.7
216.05901	1.1
223.14925	1.2
224.15532	1.3
225.16362	2.3
229.19495	1.2
233.06525	31.2
234.06863	1.0
237.16508	0.8
238.17160	1.2
251.17944	3.2
253.19479	100.0
254.19852	6.9
255.08528	1.1
255.20898	3.1
269.18890	1.2
271.20520	31.2
272.20993	1.7
273.09567	1.7
281.22623	1.2
283.24210	3.7
337.25211	1.3
355.26212	1.6
371.96280	0.8
377.28223	1.3
395.24814	1.5
395.29388	15.3
411.29092	0.9
413.30432	25.5
414.30527	1.3
429.29584	0.9
431.31479	17.0
433.25574	5.4
485.25598	1.3
503.26266	1.5
515.21167	0.8
559.35822	1.0
573.34137	1.2
575.35773	6.3
577.37372	1.3
593.36450	4.3
665.31506	6.6
749.36627	1.6
807.41071	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	826.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.2
61.06467	0.5
65.03943	0.9
67.05493	14.6
68.05011	1.5
69.03417	9.9
69.07058	3.6
70.02949	0.9
70.06583	9.4
71.04980	100.0
73.02900	4.2
74.09693	0.7
79.05018	1.0
79.05479	14.6
81.03405	4.1
81.07045	10.8
82.06559	0.8
83.04977	1.3
83.08607	3.2
84.04478	0.7
84.08134	6.3
85.02885	5.3
86.06044	7.0
86.09711	1.0
86.61036	0.5
87.04442	1.3
88.03967	4.1
91.03947	3.1
91.05463	7.6
93.07027	11.3
94.06551	0.5
95.04977	2.1
95.08590	7.3
96.08121	10.1
97.02876	5.7
97.06526	1.0
97.10152	4.5
98.06037	4.5
101.02399	1.4
105.07008	4.4
106.06531	1.4
107.04972	0.7
107.08578	6.5
109.02937	0.6
109.06509	0.7
109.10110	3.1
111.08076	1.2
112.07591	8.9
112.92290	0.5
114.05537	0.5
114.09145	0.7
117.07022	1.9
119.08559	2.8
121.10094	3.2
122.06044	0.7
123.04393	0.5
123.08057	1.1
123.11681	0.9
124.07563	6.3
124.08263	0.5
125.09623	4.4
127.03933	1.5
131.08543	2.4
131.61047	0.5
133.10112	1.8
135.08051	2.3
135.11678	1.7
140.07005	2.8
141.07817	1.6
142.08604	8.0
142.09665	0.6
145.10120	1.2
147.11674	1.2
149.09557	0.6
149.13260	1.1
153.09145	1.8
157.10127	0.8
158.08115	11.3
163.14853	0.5
170.08102	3.6
173.04570	0.7
184.07373	1.7
189.11241	2.1
202.10744	1.2
227.12683	3.6
229.14528	0.5
248.16476	1.0
261.22195	0.9
317.25165	0.6
335.25732	8.1
492.94058	0.6
497.31232	0.6
519.95612	0.5
579.13373	0.6
585.48694	0.6
621.18390	0.6
628.42432	0.7
646.42944	1.1
650.07526	0.6
664.44434	2.6
722.38068	0.7
826.49396	76.6
827.49878	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	826.4931
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
60.04509	0.8
60.88442	0.6
61.02186	0.6
61.02922	6.0
65.03935	1.3
67.05495	14.2
68.05013	1.5
68.73269	0.6
69.03420	7.4
69.07050	3.0
70.02948	0.8
70.06579	8.0
70.46304	0.5
70.88668	1.4
70.89027	0.7
71.01345	0.6
71.04980	100.0
73.02910	4.0
74.09708	2.0
79.05476	13.5
81.03406	4.3
81.07037	8.7
82.06580	0.7
83.01341	0.6
83.04961	1.3
83.08609	4.0
84.04490	0.7
84.08127	4.8
85.02888	4.8
86.06039	5.1
88.03970	3.3
91.03967	2.7
91.05468	7.4
91.68001	0.6
92.47027	0.5
92.95702	0.6
93.07028	10.7
93.07586	0.8
94.06596	0.9
95.04959	2.2
95.08588	6.6
96.08118	8.7
97.02881	5.8
97.06541	1.0
97.10161	4.1
98.06047	4.0
101.02360	1.0
102.05548	0.9
105.07007	3.8
106.06554	1.9
106.07310	0.6
107.04935	0.6
107.08569	6.1
109.02866	0.9
109.06511	1.2
109.10132	2.9
111.08085	2.5
112.07592	7.3
114.05485	0.8
114.09171	0.9
117.07003	2.6
119.08601	2.7
121.10105	2.8
123.11671	0.6
124.07567	5.8
125.09613	3.9
127.03934	0.9
131.08548	1.9
133.10120	1.4
135.08051	1.9
135.11710	2.0
140.07088	1.0
141.07828	1.2
142.08614	8.3
145.10100	1.3
147.11685	1.1
149.09521	0.6
153.09119	2.1
158.08115	11.8
170.08122	3.6
173.09520	0.7
184.07419	1.6
189.11266	1.8
202.10713	0.8
227.12720	3.8
248.16524	0.8
335.25732	6.2
664.44104	2.0
686.99719	0.7
826.49316	74.0
827.49451	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	826.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	3.1
61.02919	9.2
65.03903	1.4
67.05495	55.7
69.03378	1.6
69.07047	5.0
71.04962	3.0
71.08302	1.3
71.08622	16.1
71.67730	1.5
71.68192	2.0
73.02896	3.2
75.52991	1.2
79.05488	1.5
81.03381	1.6
81.07039	13.2
83.08604	10.2
85.02906	8.3
85.06518	2.4
85.10164	8.9
86.09685	3.7
90.43281	1.3
91.03944	7.4
91.05417	3.0
93.07010	1.8
95.08580	15.3
97.02864	5.2
97.10141	2.5
107.08546	1.4
109.10136	60.1
110.10494	1.7
111.08004	2.3
111.11683	1.9
119.08536	4.6
123.11698	1.5
125.00000	1.7
127.03888	4.1
137.09595	2.0
145.04933	2.7
155.10623	3.8
163.06007	3.4
173.11700	16.9
184.07347	11.0
229.14317	77.8
229.36285	1.3
230.14769	2.0
257.24823	1.8
267.48892	1.5
313.27322	81.0
314.27658	3.4
338.01019	1.3
355.29407	1.3
467.37253	100.0
468.37354	7.0
723.84296	1.6
743.39130	1.6
856.97296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	2.6
61.02914	9.3
65.03928	1.0
67.05491	54.2
69.03410	2.6
69.07053	4.9
70.06560	1.2
71.04967	2.9
71.08252	0.8
71.08618	13.4
71.69485	0.9
73.02905	3.6
79.05466	1.0
81.03384	0.7
81.06548	0.7
81.07037	14.5
83.04981	0.6
83.08604	9.5
83.27577	0.6
85.02888	10.9
85.06527	2.0
85.10164	8.2
87.75771	0.6
88.29638	0.6
89.05999	1.2
91.03934	7.7
91.05456	2.4
93.07011	2.5
95.08588	14.5
97.02874	5.8
97.10157	3.3
107.08556	0.9
109.10133	58.9
110.10454	1.8
111.08031	1.4
119.08602	4.4
123.11676	2.2
124.61437	0.5
127.03899	3.0
133.62520	0.7
137.09598	2.3
137.13222	0.8
145.04919	3.8
155.10632	2.8
163.05983	4.5
164.43475	0.7
173.11713	17.0
173.13234	0.9
184.07300	3.6
229.14310	100.0
230.14619	2.4
239.23607	1.6
257.24716	1.7
275.13547	0.6
313.27307	80.0
314.27521	4.1
355.87497	0.7
391.24768	0.7
467.37247	65.2
468.37680	4.7
620.34009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.7
66.91290	0.2
67.05502	0.2
68.99778	0.3
69.03418	3.8
69.07038	0.3
70.01873	0.8
70.02297	0.7
71.01353	0.4
71.04980	11.1
73.02909	1.6
75.04458	0.4
81.02950	0.3
81.03407	4.1
83.04968	3.4
85.02891	17.4
87.00819	2.2
87.04443	0.4
91.05460	0.3
95.04947	0.6
96.08081	0.4
97.02879	2.6
98.21390	0.3
99.04439	2.0
105.01849	1.7
107.04958	0.4
108.08113	0.2
109.02864	5.0
110.09657	0.4
111.00755	0.3
111.04420	2.4
113.05976	0.6
117.01843	0.5
117.05521	0.4
117.17724	0.3
120.08099	0.5
121.02857	1.9
124.07540	0.4
124.42441	0.2
125.06065	0.3
127.03899	5.9
129.05438	2.8
136.07581	0.3
137.02309	0.6
138.09152	0.6
139.03848	0.3
140.07103	0.2
145.04924	2.4
146.05960	0.4
147.02858	0.4
147.04430	0.3
147.06500	1.1
148.07610	0.3
153.01807	1.9
153.05455	0.6
159.02843	2.5
162.09087	0.2
163.06009	0.8
165.01794	1.1
166.08618	0.6
167.06952	0.3
171.48412	0.2
172.03918	0.7
183.02811	0.5
189.05519	0.2
190.04947	0.4
203.07056	0.4
204.06497	0.6
213.03741	0.4
213.05441	0.8
231.04877	1.4
237.07495	0.3
239.09006	0.6
241.04878	0.5
255.08443	0.3
255.11409	0.4
258.05347	0.6
269.09253	0.2
277.09344	0.3
278.10388	0.3
279.11322	0.3
282.25757	0.3
285.12335	0.3
287.05453	100.0
288.05798	2.2
296.11292	0.4
297.12576	0.3
299.05508	0.7
299.13852	0.5
303.13361	0.4
315.10706	0.3
325.12012	0.4
329.06479	2.0
337.11801	0.3
338.50601	0.3
345.14429	0.3
353.06613	0.5
367.08054	0.3
397.09030	0.8
415.10233	0.8
433.11218	1.8
508.21417	0.3
516.76910	0.3
535.10773	3.4
579.18567	0.3
594.24048	0.5
615.24225	0.6
620.22034	0.8
637.26746	0.3
638.23163	0.7
652.24481	0.5
757.51367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65321	0.7
61.02920	5.2
66.96373	0.8
67.05495	5.1
69.03403	2.4
69.07059	2.2
69.37231	7.7
73.02901	3.4
79.03183	0.8
79.05483	5.0
81.03403	1.8
81.07037	4.6
83.04981	1.2
85.02912	4.7
91.03944	3.1
91.05482	5.6
93.07061	4.9
95.04944	1.7
95.08587	3.7
95.11829	0.8
97.02871	4.4
97.06527	1.1
98.20708	1.3
101.02382	2.1
105.07011	4.4
107.04984	0.9
107.08580	2.4
109.10168	2.7
117.07021	1.6
119.08593	2.1
121.10124	1.1
127.03934	1.2
131.08577	2.1
133.10161	2.9
135.11694	1.1
145.10013	0.9
147.11708	1.8
159.11659	0.8
171.11748	0.9
184.07326	2.4
229.14403	2.8
230.14558	0.8
243.08415	2.8
277.21082	0.8
301.08871	1.5
313.27258	1.7
314.27521	1.3
315.19290	4.9
371.22217	1.1
436.63400	0.8
461.85092	0.7
468.37723	2.8
495.21878	1.0
533.27106	9.4
535.28912	8.7
605.28748	1.5
827.49011	100.0
828.49841	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	829.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	2.4
69.44880	2.1
70.86653	4.5
74.91419	2.7
76.72674	2.5
87.75045	2.6
95.41552	2.5
101.01506	2.8
101.92635	2.8
139.80435	2.2
184.07387	3.4
207.47784	2.9
287.06491	2.3
331.07214	2.7
369.62695	2.6
385.35992	2.6
449.43079	2.8
747.41895	2.5
829.48468	100.0
830.48859	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	829.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	8.6
67.05496	8.1
69.03413	4.4
69.03760	0.7
69.07063	2.5
71.05004	1.0
71.47643	1.2
71.47974	0.9
72.51948	0.6
73.02893	4.6
79.05486	6.9
81.03407	2.8
81.07040	6.8
83.08595	0.7
85.02892	8.2
87.04470	0.7
91.03939	4.2
91.05473	4.8
93.07034	6.8
95.04940	1.4
95.08588	5.1
97.02875	7.0
101.02388	2.4
105.07035	2.9
107.08591	3.1
109.02881	0.8
109.10190	1.0
115.04032	0.7
117.07022	1.4
119.08591	2.1
121.10126	1.5
123.11628	0.8
127.03922	2.1
129.06989	0.8
131.08563	1.0
133.10129	1.3
135.11705	1.1
144.50581	0.7
145.10135	1.2
147.11758	1.0
159.11703	0.9
161.13286	1.0
175.56107	0.7
185.04221	1.2
227.60062	0.7
243.08397	3.5
331.27591	0.8
333.20444	6.2
335.26065	0.9
465.21185	1.4
519.29346	9.8
551.28033	3.5
654.29034	0.8
743.43518	2.2
812.65234	0.8
829.50555	100.0
830.50970	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	829.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.3
67.05498	4.9
69.03418	2.7
69.07048	1.5
71.04975	0.6
73.02905	3.8
76.48682	0.4
79.05484	6.2
81.03408	1.5
81.07038	4.2
83.08583	0.8
84.09321	0.4
85.02873	4.9
86.09700	1.2
87.04491	0.5
90.43195	0.4
91.03928	2.7
91.05461	6.2
93.07021	7.2
95.04931	0.6
95.08567	3.5
97.02876	5.3
98.21457	1.4
99.04446	0.7
99.77556	0.5
101.02380	1.9
102.14835	0.4
104.83311	0.5
105.04588	0.4
105.06998	4.5
105.07542	0.4
107.08572	3.5
109.10152	0.9
115.03928	0.5
117.07025	1.4
119.08550	3.6
121.10136	2.2
124.99988	1.0
127.03880	1.0
129.05452	0.6
129.07042	0.5
131.08571	1.1
133.10129	2.0
135.11690	1.8
143.08565	0.8
145.10130	1.4
147.11708	1.9
149.13319	0.7
157.10211	0.6
159.11690	0.6
161.13306	0.7
171.11728	0.9
173.13261	0.6
184.07272	4.2
184.63731	0.4
185.04204	1.6
185.07701	0.5
187.14911	0.4
199.05975	0.5
201.03824	0.5
203.05324	1.2
243.08374	4.2
301.08783	3.1
310.71970	0.4
313.08990	0.6
315.10464	1.3
317.20917	1.4
373.11398	0.8
373.23358	0.6
383.17075	0.6
385.18585	0.6
465.20905	2.3
508.17450	0.5
525.23108	2.0
535.20520	1.1
535.28687	18.2
536.29370	0.9
607.30896	2.1
635.34161	0.8
667.43982	0.7
759.42395	0.6
829.50549	100.0
830.50769	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	830.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50776	1.3
60.77136	1.3
61.02930	1.5
67.05500	3.9
68.77552	1.3
71.69992	1.8
73.18440	1.3
79.05489	2.6
81.07036	1.9
82.47330	1.3
86.09700	1.4
89.06033	1.4
91.05495	3.5
93.00101	1.3
93.07005	1.7
94.53790	1.3
101.88655	1.3
102.43617	1.5
118.06528	8.3
121.10075	1.8
130.06555	1.8
131.07320	1.3
132.08099	3.5
133.08780	2.1
135.55031	1.4
139.03876	1.7
143.08647	1.6
146.09688	6.3
160.11177	1.9
162.09099	10.9
176.10640	13.4
177.11557	2.5
185.25974	1.5
190.12273	5.4
204.13928	4.7
205.62144	1.3
227.20125	2.5
244.20767	2.7
260.20233	1.8
272.20084	22.4
273.20428	1.6
290.21310	5.1
304.22974	2.2
316.22858	2.2
316.32327	2.5
334.23721	100.0
335.24255	6.4
374.26929	2.7
390.26517	4.7
479.17014	2.0
533.80939	1.5
552.31598	10.4
668.48792	4.9
686.28003	1.7
830.54041	84.2
831.55188	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	834.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42355	1.3
61.02921	7.1
65.03920	3.2
66.38405	1.4
67.05491	24.4
68.89002	1.4
68.99773	4.5
69.03419	42.8
69.07047	8.9
70.06576	1.4
70.65615	4.1
70.65998	2.1
71.04981	8.1
73.02907	8.1
75.04447	1.5
79.05479	21.8
81.03405	54.4
81.03880	3.1
81.07042	54.3
83.01342	1.6
83.04972	5.3
83.08598	4.3
85.02892	100.0
85.06512	1.6
87.00818	39.9
87.04452	1.8
91.03938	2.4
91.05455	21.5
93.07029	62.1
95.04951	14.3
95.07999	2.7
95.08593	39.6
97.02877	51.7
97.06496	3.3
97.10154	3.6
99.04440	19.6
100.31541	1.2
103.03912	3.1
105.01852	37.8
105.07018	31.8
107.04934	3.5
107.08578	48.5
108.04484	2.3
109.02859	56.3
109.06512	4.1
109.10130	27.7
111.04419	5.2
111.08044	2.5
112.17076	1.4
113.06019	2.1
115.03946	2.6
115.05444	2.1
117.01817	4.5
117.06991	5.2
117.36176	1.3
119.08559	32.5
121.06494	3.5
121.09254	2.1
121.10122	42.8
121.10978	2.8
123.00744	1.7
123.04398	3.2
123.08046	3.4
123.11673	10.0
125.09619	2.6
126.05481	2.8
127.03895	91.8
128.06287	1.7
129.01814	5.4
129.07007	3.8
131.08560	10.1
133.06430	2.5
133.10103	20.9
135.08029	4.2
135.11671	25.0
137.05956	2.0
137.09555	2.3
139.07492	2.5
141.07082	2.0
142.07713	3.0
143.08569	8.1
145.04938	26.5
145.10081	13.9
146.20049	1.4
147.02895	4.4
147.08051	3.9
147.11655	14.5
149.09593	2.0
149.13235	30.1
151.03835	2.1
151.07474	1.5
153.09027	2.0
155.08572	4.2
156.09186	1.5
157.10100	9.8
159.02866	20.7
159.08037	2.9
159.11673	16.8
161.09624	3.3
161.13260	13.2
163.07628	1.6
163.11182	1.6
163.14763	10.6
163.33057	1.2
165.07004	1.6
169.04984	3.0
169.10068	4.1
171.02849	1.5
171.11658	5.2
173.09627	3.2
173.13278	9.9
175.11195	3.0
175.14821	4.3
180.92099	1.4
181.10135	2.4
183.11667	4.6
185.09525	2.2
185.13248	4.8
187.11102	2.6
187.14799	9.0
189.03914	5.7
189.12726	2.0
189.16272	6.2
191.17885	1.9
193.04916	2.5
193.10196	1.6
193.12201	1.5
195.11676	3.9
197.13301	3.3
198.13943	1.6
199.14795	5.4
201.12654	1.7
201.16393	4.4
203.10562	1.7
203.14290	2.4
203.17944	6.9
207.13794	2.2
209.13228	1.6
211.14777	4.2
213.03914	13.3
213.12735	1.8
213.16336	3.0
215.14230	2.1
215.17921	3.2
221.13284	1.7
221.15280	2.5
227.17848	3.7
229.15848	2.2
229.19473	7.8
231.04974	24.5
233.15309	2.9
235.05933	1.5
235.16965	1.6
243.21178	2.0
245.15375	1.7
247.16891	3.2
248.07607	2.7
249.06012	5.0
251.17915	1.6
253.16133	1.8
253.19312	1.6
255.21129	1.7
257.22577	10.0
261.12317	1.4
266.08591	2.4
267.21011	3.9
269.17569	4.0
271.16779	1.5
273.05920	10.5
285.22107	8.7
301.21509	2.6
303.23157	23.9
315.23050	2.0
321.05966	2.3
327.23270	1.8
339.07007	3.4
357.07840	2.6
365.24661	2.4
375.23245	2.1
393.24277	9.8
411.25180	4.6
429.26404	2.5
443.19110	1.6
461.09225	3.8
471.27151	1.5
497.24939	4.1
515.26147	3.9
521.71204	1.4
533.27411	4.0
619.30664	2.2
637.31927	4.3
824.77118	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	835.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.9
67.05460	0.6
68.99769	5.8
69.81283	2.4
69.81695	1.0
72.26945	0.4
74.22781	0.5
77.03892	0.8
79.05471	2.3
81.03399	1.1
85.02916	0.7
91.05460	8.3
95.04948	9.7
97.02866	0.6
103.05467	0.8
105.07020	0.9
107.04931	100.0
108.05276	1.2
109.02868	1.2
109.95030	0.5
111.00773	5.0
111.04420	1.8
113.83146	0.5
115.05442	0.9
117.06987	1.0
119.04919	57.2
120.05216	0.7
121.02858	8.3
121.06493	0.9
123.04403	39.9
126.17767	0.7
127.03873	2.5
128.06221	0.7
129.07013	0.9
131.04922	3.2
133.06467	5.2
135.04419	2.6
135.13998	0.5
137.02327	1.7
139.02852	1.1
139.03877	17.6
141.07004	0.9
145.06451	8.1
147.04379	45.8
148.04842	0.6
149.02309	8.6
149.05949	1.0
151.03870	20.5
153.06941	0.8
157.06447	4.8
159.04390	1.9
159.08014	1.1
161.02377	0.6
161.05963	5.9
162.03108	1.0
163.03873	9.1
164.04623	0.8
165.01849	2.3
165.05490	3.2
165.06728	0.6
166.02550	0.5
167.03374	6.7
169.06462	2.4
171.04356	7.7
171.05634	0.8
171.08029	1.0
173.02295	0.7
173.05940	1.4
175.03856	2.8
176.04674	0.9
177.05470	2.9
177.06813	0.6
179.03368	11.3
180.04118	0.8
181.05020	0.9
181.06487	2.2
183.08006	0.6
185.05923	6.3
187.03906	3.2
187.07542	2.8
189.05444	6.8
190.02563	2.7
191.03374	9.3
193.04913	2.7
193.06467	0.6
197.05919	3.5
199.03850	0.9
199.07486	2.2
201.05490	3.0
203.03342	10.4
203.05104	0.7
203.07018	2.2
204.04016	0.8
205.04874	1.4
207.06468	1.1
211.03899	0.5
211.07487	1.1
213.05408	8.7
215.03377	8.1
215.06862	5.8
216.04160	3.9
217.04831	2.6
221.05995	0.7
223.02296	3.0
223.07330	0.9
225.05426	1.6
227.03447	1.1
227.06978	2.8
229.04915	5.7
231.06470	65.7
232.03665	0.9
232.06897	0.8
233.04301	4.0
235.02368	1.4
237.05424	0.7
239.03360	0.7
239.06950	2.4
241.05022	3.4
242.05675	1.5
243.02840	2.9
243.06461	15.7
244.03633	13.7
244.07097	1.4
245.04411	34.0
245.07999	3.7
251.07343	0.8
253.04926	2.0
254.05608	0.7
255.06465	12.8
257.04395	14.6
257.08011	1.9
258.05075	0.6
261.04022	0.8
263.06970	1.0
267.06485	7.9
269.04422	5.6
269.07727	0.9
271.05948	3.5
272.06357	0.6
273.04181	1.8
273.07501	30.6
274.04663	23.6
274.07703	1.2
275.05432	7.3
279.06516	2.0
279.77335	0.5
281.04453	1.8
281.07684	0.6
283.05978	2.6
285.03915	13.9
285.07541	16.3
286.04602	2.8
287.05435	16.1
291.08633	8.5
295.06006	2.5
297.03918	2.8
297.07526	2.5
299.05386	5.1
303.04974	6.3
303.08588	2.0
307.06067	2.5
309.03860	3.1
311.05392	0.9
313.06903	0.9
315.04953	3.1
315.08340	1.1
317.08008	1.4
320.66202	0.6
321.07620	1.1
323.05463	1.5
323.08948	0.7
325.06918	0.7
327.04953	1.0
329.08197	0.9
331.09387	0.9
333.07306	0.8
335.09384	0.8
337.06934	0.6
345.07504	4.9
347.09146	1.2
349.07068	2.5
351.05069	2.9
359.08899	0.7
361.07040	1.8
363.04773	1.0
363.08621	6.2
367.08075	5.6
373.06903	3.3
373.11017	0.7
375.08615	2.1
377.10229	7.1
379.07959	1.7
380.08865	3.5
381.09738	1.2
382.05490	0.6
385.06998	0.8
387.09198	0.6
391.08017	41.0
392.08347	1.4
393.05771	2.9
393.09952	12.3
395.11392	2.6
401.10196	4.4
403.08017	16.2
405.05222	2.7
405.10114	1.5
409.09073	15.5
411.10703	12.0
415.07971	1.7
419.11237	3.3
421.09100	31.5
422.09839	0.6
423.10617	1.5
427.10245	3.4
433.09024	4.6
435.10776	1.2
437.12329	1.6
439.10333	0.9
451.10092	0.8
485.12280	1.3
499.13599	1.0
503.13498	2.5
509.12332	5.0
511.09970	1.9
527.13232	2.4
529.10968	2.6
545.11169	2.2
555.12665	1.2
563.15417	2.6
663.15326	0.9
681.15723	2.3
699.16663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	2.6
67.05476	2.2
68.99775	6.8
69.99956	4.3
77.03910	0.8
77.64133	0.7
79.05468	2.0
80.33435	0.7
81.03401	1.5
81.47496	0.8
85.02877	0.9
85.95924	0.6
91.05453	9.6
93.03376	0.8
95.04949	24.4
105.04454	1.1
105.06999	0.9
107.04930	100.0
108.05247	1.5
109.98367	0.8
111.00792	3.7
111.04425	2.2
115.05448	1.2
117.06989	0.8
119.04915	89.2
120.05145	0.8
121.02843	8.9
123.04403	77.3
124.04748	0.8
127.03905	2.3
131.04895	2.3
133.06448	7.8
135.04393	4.1
137.02301	0.9
139.03868	22.7
141.06987	1.7
145.06445	6.6
147.04375	49.2
148.04718	0.7
149.02316	16.5
151.03876	33.8
152.04337	0.8
153.01707	0.8
157.06459	6.0
159.04382	2.2
159.08049	1.0
161.05933	6.9
162.03160	0.8
163.03885	9.0
165.01816	2.4
165.05458	2.9
165.06895	1.5
167.03381	7.3
169.06497	3.0
171.04378	7.7
171.07988	1.4
173.05951	1.1
175.03899	3.4
176.04761	0.9
177.01768	0.7
177.05486	1.9
179.03357	12.8
181.04927	1.3
181.06435	3.1
183.08008	0.8
185.05977	5.6
187.03824	3.9
187.07527	2.4
189.05467	7.6
190.02605	2.5
191.03333	8.0
193.04947	2.7
197.04373	0.8
197.05997	3.4
199.07497	2.9
201.05457	3.8
203.03351	9.9
203.06999	1.2
205.04924	1.5
207.06544	1.5
209.06010	1.3
211.07565	0.9
213.05438	5.0
215.03436	6.6
215.06955	14.5
216.04039	1.5
217.04924	2.1
223.02382	2.7
225.05396	1.9
227.06989	3.8
229.04880	5.5
231.06476	43.3
231.50894	0.8
233.04312	3.5
235.02419	1.0
235.07561	0.9
237.05385	0.8
239.07063	3.3
241.04936	2.4
242.05696	2.2
243.02869	2.5
243.06453	20.7
243.08795	1.3
244.03621	10.9
244.07167	1.6
245.04401	23.0
245.07976	7.8
251.05252	1.3
253.05019	1.7
254.05646	1.2
255.06512	12.7
257.04410	14.5
257.08041	3.1
258.05011	1.1
259.05795	1.1
265.04840	1.0
267.06479	7.5
269.04401	2.8
271.05930	3.1
273.07510	52.4
274.04697	12.4
274.07608	1.2
275.05472	7.0
277.08615	1.3
279.06525	1.9
281.04419	2.0
283.05920	2.3
285.03946	8.7
285.07535	16.7
286.04626	1.7
287.05414	16.8
291.08624	13.5
295.06021	2.5
297.03970	2.4
297.07574	1.9
299.05344	4.0
303.04916	4.4
303.08658	2.3
307.05991	2.3
309.03867	3.2
313.07156	1.0
315.05005	1.5
315.08725	1.1
321.07635	1.5
323.05560	1.3
325.07101	1.5
331.09344	0.8
335.08881	0.8
345.07516	3.2
347.09140	1.2
349.06985	2.5
351.05038	2.5
359.09198	1.7
361.07040	1.6
363.08563	4.1
367.07904	3.5
373.06931	2.0
373.11157	1.1
375.08676	2.4
377.10306	5.1
379.08057	2.5
380.08887	1.2
385.06808	0.8
391.08017	26.5
391.12769	1.6
393.05719	2.7
393.09872	14.4
394.10214	0.8
395.11084	2.0
401.10110	3.2
403.08069	8.8
405.05762	2.2
405.10187	1.4
409.09106	15.6
409.14151	1.3
411.10666	15.1
415.07919	1.5
419.11365	3.6
421.09100	18.3
423.10834	1.2
427.10287	3.8
433.09335	3.1
437.12247	2.1
441.87091	0.8
451.10205	0.9
483.78720	0.8
503.13443	1.3
509.12164	2.6
511.10464	1.2
527.13214	1.7
529.11401	4.4
539.13153	1.0
545.11267	2.2
549.23883	1.0
555.12531	1.6
563.15662	4.0
573.13184	0.9
681.15826	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	835.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.3
67.05482	1.5
68.99777	5.7
70.06576	1.0
79.05478	2.6
81.03401	1.8
83.04987	1.6
85.02879	1.2
91.05459	8.4
95.04954	19.0
95.05518	1.7
105.07018	0.9
107.04936	100.0
108.05295	1.0
111.00790	4.0
111.04424	1.4
116.17484	0.9
117.07010	1.3
119.04924	76.4
121.02846	7.8
123.04410	60.5
124.04767	1.2
127.03896	2.5
131.04880	4.4
133.06461	5.7
135.04398	3.7
137.02364	1.6
139.03880	30.9
141.06934	1.2
145.06435	5.9
147.04379	47.4
147.08067	1.3
148.04762	1.4
149.02318	11.9
151.03877	23.1
157.06439	4.5
159.04385	1.7
161.05942	5.4
163.03874	17.0
165.01862	2.3
165.05486	3.1
165.06976	1.2
167.03355	6.7
169.06468	1.8
171.04364	6.9
173.05983	2.3
175.03934	3.1
176.04808	1.2
177.05507	2.8
179.03374	13.4
181.06476	2.3
183.08026	1.5
185.05902	4.6
187.03886	3.8
187.07558	2.8
189.05449	8.2
190.05998	0.8
191.03348	7.2
193.04973	1.3
197.05956	3.6
199.07539	2.7
201.05460	3.9
203.03346	9.8
203.07118	1.1
205.05061	1.1
209.06038	1.1
211.07520	1.9
213.05455	6.5
215.03436	4.8
215.06981	8.9
216.04237	2.4
217.04932	2.7
223.02382	3.4
225.05476	1.9
227.03464	1.2
227.06975	3.0
229.04956	5.2
231.06490	52.9
232.06813	1.6
233.04422	3.7
235.02356	1.3
237.05324	1.4
239.07043	3.5
241.04947	3.7
242.05647	2.2
243.02895	1.5
243.06476	17.7
243.08833	1.4
244.03635	8.8
244.07240	2.9
245.04414	27.8
245.07892	6.1
253.04892	1.5
255.06511	15.6
256.03601	1.1
257.04407	15.0
257.08069	4.4
259.05991	1.0
267.06503	8.1
269.04443	6.0
269.07806	1.6
271.06033	3.0
273.04559	1.7
273.07516	47.9
274.04651	12.0
275.05350	6.5
279.06506	2.9
281.04391	1.6
283.05847	1.6
285.03995	8.4
285.07556	15.8
286.04672	2.0
287.05447	14.3
291.08652	12.3
295.05963	2.2
297.03995	2.7
297.07611	3.1
299.05399	5.9
303.05054	4.9
303.08472	1.7
307.05872	2.0
309.04053	1.6
311.05270	1.6
313.06958	1.8
315.05124	1.4
323.05499	1.9
325.07114	1.1
327.05069	1.4
335.05051	1.0
345.07544	3.8
349.06946	2.0
349.10748	1.6
351.04898	2.0
359.09482	1.1
361.06876	2.0
363.08499	6.3
367.08087	3.6
373.06699	2.3
373.10934	1.6
375.08762	1.8
377.10092	7.2
379.08322	1.5
380.08917	1.3
381.09509	1.0
391.08057	31.2
393.05811	2.0
393.09937	11.3
395.11063	3.0
401.10065	4.3
403.08093	9.2
405.05814	2.9
405.10107	2.5
409.09140	16.8
411.10788	11.2
419.11212	5.5
419.65906	1.0
421.09143	17.7
423.10773	1.5
427.10074	4.8
433.08990	2.7
437.12241	2.1
439.10199	1.2
449.08850	1.1
469.11285	1.2
485.11407	0.9
499.13803	1.1
509.12024	1.8
511.09915	1.4
513.11230	1.3
527.13055	2.5
529.11279	4.4
545.13660	3.7
555.12872	2.9
563.15375	4.9
573.13977	1.0
620.60327	1.1
663.15204	1.5
681.15808	3.5
699.17474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03965	2.2
66.75964	1.6
67.05499	34.4
69.03407	6.1
69.07059	26.4
70.06573	4.3
79.05484	27.7
81.03420	8.8
81.07048	38.9
83.04972	5.2
83.08602	7.0
88.10413	1.7
91.05465	36.2
93.07038	24.6
95.01320	5.6
95.04961	10.5
95.08598	23.8
97.02876	7.3
97.06522	24.6
97.10140	6.6
98.20720	3.6
105.07015	48.7
107.04954	13.6
107.08577	12.5
109.06514	3.7
109.10136	11.2
111.08061	2.6
117.06995	11.4
119.08564	25.6
121.06476	2.7
121.10127	6.2
123.04430	3.3
123.08055	3.1
125.09611	7.9
129.06992	3.0
130.07776	1.8
131.08566	13.4
133.06535	3.3
133.10107	22.9
135.11694	6.1
137.09540	3.0
139.03847	3.0
143.08510	4.7
145.10118	11.5
147.07997	3.1
147.11639	11.0
149.09633	3.4
149.13261	4.2
157.10121	4.0
159.11697	10.6
161.13196	3.1
163.11166	4.7
165.09030	2.4
171.11563	3.4
173.13222	3.3
177.12689	5.6
179.14310	8.1
184.07346	1.9
205.12204	2.6
216.38657	1.8
223.13284	9.2
227.12758	5.0
257.19025	6.7
273.18488	6.8
275.20016	62.2
276.20596	2.6
291.19498	47.3
293.20981	4.5
294.19339	2.0
332.33405	2.2
349.23712	25.5
365.23160	35.8
385.98810	1.7
496.94769	1.9
541.35150	3.0
639.42499	100.0
640.42859	6.6
716.08997	2.1
775.21985	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03600	1.3
65.03918	4.8
67.05495	59.4
69.03418	11.3
69.07059	47.3
71.04964	3.9
71.70150	1.8
77.03917	1.8
79.05480	69.6
81.03412	11.0
81.07045	64.6
81.07455	0.7
81.07545	1.9
83.04962	6.8
83.08604	21.2
85.02871	2.0
85.06523	3.7
87.04453	3.2
91.05466	81.4
93.07030	65.0
95.04951	15.5
95.08591	37.5
97.02882	9.6
97.06526	10.7
97.10147	21.9
99.08093	1.7
101.02347	1.4
103.05430	2.1
105.07012	75.6
107.04927	12.0
107.07916	2.5
107.08584	38.6
109.06499	10.3
109.10147	18.7
111.04446	1.8
111.08051	4.1
115.05437	5.1
116.06206	2.1
117.07006	25.4
119.04909	2.1
119.08561	56.8
120.05666	1.4
121.06476	4.6
121.10131	21.4
123.08055	7.8
123.11635	4.5
125.09606	17.1
128.06168	3.7
129.05455	2.0
129.06973	16.1
130.07782	2.3
131.08549	33.0
132.08917	1.7
133.06487	4.7
133.10106	41.7
135.08014	7.6
135.11673	15.5
137.09581	5.0
139.11180	1.8
141.06947	3.4
142.07724	3.3
143.08539	15.5
145.06432	1.8
145.10104	28.8
147.08009	7.9
147.11656	35.4
149.09561	4.9
149.13232	8.8
151.11096	1.7
153.09076	1.6
155.08540	4.8
157.10115	12.8
159.11676	20.6
161.09566	4.1
161.13249	17.4
163.11159	5.9
167.08521	2.9
169.10020	7.6
171.11668	12.7
173.09592	1.9
173.11809	2.1
173.13182	12.3
175.11176	4.8
175.14746	7.1
177.12772	4.5
179.14410	2.3
181.10106	4.6
183.11705	7.7
185.13181	9.1
187.13199	1.6
187.14772	4.0
189.11285	9.4
189.12717	2.0
189.16330	2.0
193.10124	1.8
193.12218	1.8
195.11665	3.7
197.13235	4.6
199.11079	2.3
199.14847	6.9
201.16377	1.6
203.14354	1.6
205.12247	1.3
207.11699	1.6
209.13226	3.3
211.13083	1.9
211.14853	3.4
213.16359	3.6
213.19530	1.4
215.14354	1.7
215.17931	2.1
223.13214	19.0
223.15012	2.2
225.16354	2.1
227.12749	8.9
231.21078	4.6
237.16422	2.2
239.17999	3.2
241.19450	19.7
249.14746	3.3
257.19028	3.8
259.20551	46.6
260.20798	2.3
267.15964	1.5
267.21085	1.6
273.18484	11.7
275.17136	1.8
275.20056	20.9
277.21747	2.2
285.22113	2.2
291.19492	100.0
292.19858	3.7
297.22156	2.3
299.23575	4.3
301.21631	1.7
303.84180	1.5
315.23160	9.7
329.69479	1.6
333.24213	46.3
334.24365	1.5
338.96225	1.3
342.24231	1.9
347.22147	1.9
349.23700	16.9
365.23206	38.7
367.24823	3.9
379.29865	6.0
405.31796	1.4
451.31961	2.4
525.35730	10.6
529.35529	2.9
531.38196	3.6
541.34668	1.5
543.36877	13.8
549.38940	2.5
605.41943	7.2
623.43005	58.2
624.43115	4.3
641.43842	16.3
642.45044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88672	1.5
64.77531	1.7
65.03929	3.3
67.05491	62.1
69.03420	7.0
69.06684	3.0
69.07053	41.6
70.06568	1.9
70.92714	4.9
71.04984	4.8
75.08694	1.6
79.05019	3.3
79.05480	60.6
79.49575	1.8
81.03400	13.3
81.07042	84.3
83.04973	7.6
83.08609	15.2
85.02907	4.1
85.06541	1.9
87.04456	2.5
91.05463	76.5
91.42670	1.5
93.07029	63.9
95.01329	5.7
95.04942	15.3
95.08591	42.8
97.02879	4.4
97.06516	27.1
97.10124	12.4
103.05447	3.5
103.83823	2.1
105.07011	94.0
107.04945	14.7
107.08576	35.3
109.06503	8.0
109.10147	18.5
111.08081	4.2
115.05463	3.0
117.06983	28.5
119.08558	54.2
121.06490	6.2
121.10126	19.6
123.08041	5.6
123.11738	3.2
125.09583	8.4
128.06209	2.3
129.06963	9.3
131.08543	31.0
133.06462	2.5
133.10106	45.3
135.08038	7.3
135.11658	12.7
137.09601	2.7
139.07591	2.0
141.06950	2.8
143.08539	11.2
145.06480	2.7
145.10104	26.0
147.08031	5.7
147.11649	24.2
149.09598	8.5
149.13206	9.6
151.11168	3.9
155.08504	4.7
157.10080	9.0
159.11633	18.0
161.09644	3.6
161.13190	9.7
163.11176	7.4
165.09131	2.1
169.10175	3.6
171.10251	2.2
171.11603	10.1
173.09557	2.3
173.13211	8.1
175.11154	2.9
175.14847	3.7
177.12756	4.1
179.14334	10.7
183.11653	4.1
185.13202	3.5
187.11214	3.0
187.14668	3.1
189.11182	4.2
195.13835	2.9
197.09164	1.9
197.13239	3.9
199.14816	3.1
207.11487	1.7
212.14430	1.9
219.48053	1.9
223.13275	5.1
227.12715	5.0
229.19568	2.4
236.72266	1.6
239.17859	2.5
241.19461	7.9
245.18683	1.7
247.20514	3.3
251.89505	1.9
253.14253	2.3
255.15834	2.5
257.18994	6.1
259.20557	12.1
269.17410	15.1
273.18512	6.5
275.20032	73.3
276.20300	1.7
291.19528	41.8
291.22778	3.0
293.21146	5.7
315.23050	3.3
331.22733	2.4
333.24252	14.1
342.24185	3.7
349.23679	40.8
350.23782	2.1
365.23230	13.2
367.24628	3.6
525.35321	5.1
529.35114	19.3
543.36713	100.0
544.36926	3.6
544.80530	1.9
605.41785	3.3
623.42957	36.6
641.43799	7.5
687.40796	3.6
838.54230	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	838.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	6.6
67.05491	94.3
69.03407	6.2
69.07055	30.2
71.04972	6.3
77.03924	2.1
79.05475	63.9
81.03403	9.6
81.07041	89.2
83.04982	13.6
83.08603	16.3
85.06512	10.2
91.05463	98.5
93.07029	75.3
95.04955	20.4
95.08587	46.0
97.02883	2.9
97.06503	9.8
97.10135	5.2
98.20648	3.8
99.04411	3.9
99.08106	3.1
103.05429	4.0
105.04510	3.7
105.07009	100.0
107.04945	9.3
107.08575	60.4
109.06490	12.4
109.10137	53.1
111.08083	5.4
113.05960	2.5
115.05466	2.9
117.06999	22.7
119.08555	53.0
121.06499	7.6
121.10110	22.9
123.08058	7.0
123.11686	12.4
125.09573	3.3
127.07533	3.7
128.06224	3.2
129.06976	16.5
131.08543	43.2
133.06462	5.9
133.10107	94.1
135.08054	11.6
135.11674	19.2
137.09598	4.9
141.06998	3.2
142.07747	3.3
143.08568	16.5
145.06464	3.4
145.10103	28.4
147.08043	4.2
147.11649	34.4
149.09592	7.1
149.13245	9.0
151.11153	33.5
154.31387	2.0
155.08510	6.0
157.10062	12.1
159.08069	5.7
159.11661	19.7
161.09633	8.0
161.13199	20.9
163.11153	2.6
163.14751	3.8
169.10106	5.2
169.12228	4.2
171.11688	14.4
173.13206	13.1
175.14774	6.4
177.12875	2.3
181.10088	2.5
183.11700	6.3
185.13239	8.9
187.11159	2.7
187.14752	3.4
189.12854	5.0
191.60408	2.2
193.10265	2.4
197.13202	3.5
199.14851	6.3
201.16418	3.2
209.13243	2.5
211.14832	3.1
213.16354	3.0
215.12662	2.4
227.12782	2.6
231.21088	5.9
241.19473	16.8
245.18922	4.8
253.14278	75.6
257.18921	3.7
259.20502	51.8
261.18445	2.4
263.19794	2.5
273.18420	11.4
289.17853	3.8
291.19498	18.6
313.21426	3.8
315.23129	5.5
333.24188	44.7
334.24652	2.7
335.25806	10.0
347.22235	2.8
363.21588	3.7
365.23154	30.8
425.50128	2.4
427.57153	2.2
437.30273	5.5
455.31433	3.6
501.35468	4.3
511.34085	13.4
513.36926	3.2
525.35339	2.9
529.35095	16.4
531.38483	5.1
549.38757	3.5
605.41400	8.2
623.42828	41.5
641.43750	7.0
652.63721	2.9
764.58820	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	839.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51934	1.0
67.23756	1.1
68.77316	1.1
69.03415	3.0
69.44312	11.5
70.06588	4.2
75.69839	1.1
79.05476	1.6
81.03399	1.6
85.02888	3.2
91.05460	1.9
93.07024	1.5
94.06553	4.4
95.07351	1.4
96.08123	5.4
103.05407	1.1
108.04447	2.4
108.08086	10.1
109.10154	1.3
110.09689	6.7
110.36355	1.2
111.04451	1.6
116.04927	1.3
120.08122	6.2
122.06002	6.4
123.04389	2.6
124.07565	4.9
127.03908	1.7
129.05443	1.5
134.05954	1.8
135.04355	1.3
136.07576	9.5
137.06024	1.4
138.09142	12.5
139.03854	1.7
144.04408	2.6
146.05968	4.3
148.07538	3.1
151.03831	2.0
160.03867	2.6
162.05495	2.8
163.03865	2.1
164.07050	2.9
165.32231	1.2
166.08650	10.1
172.03931	13.2
174.05525	1.4
176.07011	3.0
177.08998	1.2
179.34917	1.1
179.82817	1.1
185.10722	1.3
190.04939	15.5
196.70596	1.3
204.06532	25.9
212.09517	1.7
213.10153	2.6
224.09358	2.0
225.10214	3.2
227.11833	1.8
229.13274	1.3
236.09570	2.0
237.10153	2.4
239.11813	2.3
241.09834	2.9
243.11191	8.3
249.10277	1.9
250.11148	1.3
253.09680	2.4
254.98369	1.2
255.11247	1.6
263.11700	1.8
264.08862	1.9
265.09805	2.6
267.11383	2.1
269.09229	3.2
271.10730	3.0
273.08286	1.1
273.12277	4.4
277.09637	1.8
279.11255	4.1
281.09048	1.4
283.10684	4.7
284.11554	1.9
285.12332	15.7
287.10315	4.5
295.10837	2.1
297.12326	5.7
299.10483	2.0
299.14017	3.9
301.11682	2.5
302.12857	1.2
303.13358	27.4
303.16702	2.0
311.10236	2.0
313.11932	2.6
314.12976	1.9
316.10919	1.6
323.10303	4.7
325.11774	17.4
327.13364	2.2
330.12228	2.7
341.11679	1.6
343.12985	4.8
344.13873	2.6
345.14691	1.5
346.15244	1.8
355.12595	1.9
357.14371	11.3
358.15280	3.2
368.13635	2.0
370.11829	2.0
372.13416	3.4
373.14005	3.8
374.14737	2.8
374.84576	1.5
384.11826	1.8
385.14365	2.2
386.14984	7.7
387.15506	2.6
402.14117	1.4
404.16083	3.2
406.17676	3.1
414.14417	10.0
415.15167	16.7
416.16074	1.9
418.16742	3.3
420.15494	3.4
428.15878	1.6
430.17395	4.4
432.15402	11.1
444.15982	1.7
446.17148	3.6
456.15356	4.7
462.16403	7.2
474.16678	18.9
488.18076	1.6
494.19083	2.4
506.19073	8.0
512.19989	1.6
522.22345	1.5
567.22021	1.8
581.23462	2.2
585.23596	2.9
599.25104	2.4
609.23291	4.6
627.24396	100.0
628.24780	7.0
636.21344	2.2
641.25403	3.5
645.24634	1.8
659.27045	17.1
660.27649	1.7
771.28412	1.9
789.28613	2.5
839.30206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51934	1.0
67.23756	1.1
68.77316	1.1
69.03415	3.0
69.44312	11.5
70.06588	4.2
75.69839	1.1
79.05476	1.6
81.03399	1.6
85.02888	3.2
91.05460	1.9
93.07024	1.5
94.06553	4.4
95.07351	1.4
96.08123	5.4
103.05407	1.1
108.04447	2.4
108.08086	10.1
109.10154	1.3
110.09689	6.7
110.36355	1.2
111.04451	1.6
116.04927	1.3
120.08122	6.2
122.06002	6.4
123.04389	2.6
124.07565	4.9
127.03908	1.7
129.05443	1.5
134.05954	1.8
135.04355	1.3
136.07576	9.5
137.06024	1.4
138.09142	12.5
139.03854	1.7
144.04408	2.6
146.05968	4.3
148.07538	3.1
151.03831	2.0
160.03867	2.6
162.05495	2.8
163.03865	2.1
164.07050	2.9
165.32231	1.2
166.08650	10.1
172.03931	13.2
174.05525	1.4
176.07011	3.0
177.08998	1.2
179.34917	1.1
179.82817	1.1
185.10722	1.3
190.04939	15.5
196.70596	1.3
204.06532	25.9
212.09517	1.7
213.10153	2.6
224.09358	2.0
225.10214	3.2
227.11833	1.8
229.13274	1.3
236.09570	2.0
237.10153	2.4
239.11813	2.3
241.09834	2.9
243.11191	8.3
249.10277	1.9
250.11148	1.3
253.09680	2.4
254.98369	1.2
255.11247	1.6
263.11700	1.8
264.08862	1.9
265.09805	2.6
267.11383	2.1
269.09229	3.2
271.10730	3.0
273.08286	1.1
273.12277	4.4
277.09637	1.8
279.11255	4.1
281.09048	1.4
283.10684	4.7
284.11554	1.9
285.12332	15.7
287.10315	4.5
295.10837	2.1
297.12326	5.7
299.10483	2.0
299.14017	3.9
301.11682	2.5
302.12857	1.2
303.13358	27.4
303.16702	2.0
311.10236	2.0
313.11932	2.6
314.12976	1.9
316.10919	1.6
323.10303	4.7
325.11774	17.4
327.13364	2.2
330.12228	2.7
341.11679	1.6
343.12985	4.8
344.13873	2.6
345.14691	1.5
346.15244	1.8
355.12595	1.9
357.14371	11.3
358.15280	3.2
368.13635	2.0
370.11829	2.0
372.13416	3.4
373.14005	3.8
374.14737	2.8
374.84576	1.5
384.11826	1.8
385.14365	2.2
386.14984	7.7
387.15506	2.6
402.14117	1.4
404.16083	3.2
406.17676	3.1
414.14417	10.0
415.15167	16.7
416.16074	1.9
418.16742	3.3
420.15494	3.4
428.15878	1.6
430.17395	4.4
432.15402	11.1
444.15982	1.7
446.17148	3.6
456.15356	4.7
462.16403	7.2
474.16678	18.9
488.18076	1.6
494.19083	2.4
506.19073	8.0
512.19989	1.6
522.22345	1.5
567.22021	1.8
581.23462	2.2
585.23596	2.9
599.25104	2.4
609.23291	4.6
627.24396	100.0
628.24780	7.0
636.21344	2.2
641.25403	3.5
645.24634	1.8
659.27045	17.1
660.27649	1.7
771.28412	1.9
789.28613	2.5
839.30206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90660	2.3
67.05496	63.0
69.03406	9.1
69.07059	30.5
70.37836	2.8
71.04967	4.6
71.69519	3.2
71.70026	4.8
75.16588	2.7
79.05486	65.9
79.05937	6.3
81.03410	5.4
81.06606	4.1
81.07047	59.7
83.04970	6.9
83.08612	23.9
85.02867	3.7
85.06503	7.2
86.09677	6.5
91.05465	76.5
92.28909	2.3
93.07034	63.8
95.04960	10.6
95.08595	39.8
97.02894	2.9
97.06521	10.2
97.10152	33.0
101.05976	2.7
103.05450	3.2
105.07014	61.1
107.04956	6.2
107.08576	61.4
109.06493	6.6
109.10138	25.6
110.90006	2.6
111.08059	5.0
112.47944	2.8
117.07006	26.7
119.08572	50.2
121.10128	19.7
123.08083	3.8
123.11715	16.9
123.12473	3.5
125.00001	4.2
125.09583	22.0
128.06175	5.8
129.07022	17.3
130.07704	3.0
131.08536	33.2
133.06358	3.4
133.10104	43.9
135.07997	6.6
135.11679	11.9
139.03883	4.6
141.06949	6.4
142.07770	4.2
143.08537	19.8
145.10097	32.6
147.11664	26.4
149.09564	8.9
149.13217	7.4
153.09094	3.5
155.08519	10.8
156.09406	2.7
157.10095	17.5
158.10799	3.2
159.11668	26.5
161.13200	16.3
163.11136	5.4
167.08488	5.4
168.09300	3.6
169.10127	12.8
171.10403	3.4
171.11678	18.7
173.11929	4.1
173.13242	11.1
175.14783	6.7
181.10083	8.6
182.10660	2.9
183.11624	14.0
184.07303	18.2
184.12520	2.8
185.13255	16.0
187.13290	5.6
187.14857	9.1
189.11220	15.6
189.12617	2.9
189.16434	3.3
193.10065	6.1
195.11655	7.3
197.13310	15.1
199.14835	7.4
200.14296	8.1
201.16429	5.3
209.13321	4.9
213.16376	4.8
214.15862	6.1
215.18042	3.2
221.13136	3.6
223.14714	7.5
225.16434	2.9
227.12735	22.6
227.17941	4.1
229.19604	3.8
233.56596	3.1
239.17979	6.3
241.19476	12.9
243.15858	6.0
255.21109	3.1
257.18988	8.8
259.20520	22.1
260.20572	2.8
275.20029	20.4
315.23108	4.5
333.24261	25.2
344.25793	26.5
349.23645	17.3
363.26578	4.5
365.28433	14.4
381.31570	5.0
421.30701	4.7
433.07626	2.8
439.31943	4.2
503.33670	5.1
513.35260	15.2
515.38452	7.4
525.35590	3.6
533.39972	5.9
555.36108	4.9
562.33008	3.9
607.43494	57.7
608.43774	5.2
625.44452	100.0
626.44586	4.8
840.55573	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41266	1.6
61.02898	4.3
65.03912	8.1
67.05494	88.9
69.03411	7.6
69.07053	33.9
69.36574	23.1
71.04980	6.2
73.02895	2.3
79.05480	84.2
80.05797	1.7
81.03391	7.0
81.07043	86.0
82.07346	2.8
83.04971	9.4
83.08602	16.0
85.02882	6.3
85.06519	5.9
86.09660	2.3
91.03939	2.7
91.05465	100.0
92.05785	2.7
93.07027	86.7
94.07320	2.1
95.04945	18.9
95.08588	62.9
97.02869	6.0
97.06523	12.1
97.10163	11.1
98.20677	3.9
98.21352	6.6
99.08059	6.2
103.05444	5.2
105.04514	3.3
105.07011	93.0
107.04903	6.6
107.08571	53.3
109.06485	11.9
109.10128	26.8
111.08041	6.7
113.09639	2.2
115.05422	4.8
117.06993	45.1
119.08557	73.2
121.06447	6.4
121.10128	34.4
123.07978	4.5
123.11674	7.7
125.09611	7.9
128.06230	8.9
129.05515	2.0
129.06984	31.3
130.07755	2.1
131.08543	52.3
133.06442	3.6
133.10107	43.4
135.08041	5.8
135.11667	19.0
137.09590	2.7
139.03799	2.0
141.06955	10.6
142.07762	6.0
143.08537	32.6
144.09276	5.0
145.06427	3.4
145.10106	48.0
147.08037	5.4
147.11661	35.1
149.09561	7.5
149.13237	8.8
151.11212	2.2
153.07005	2.7
155.08510	21.4
156.09358	2.3
157.10110	30.4
158.10812	2.3
159.07999	2.3
159.11650	34.1
160.68001	2.1
161.09595	4.2
161.13248	15.3
162.13553	1.9
163.03801	1.8
163.11179	5.9
163.14830	3.3
165.06956	3.8
165.12744	2.7
167.08568	9.8
168.09337	3.4
169.10091	22.2
170.10838	1.9
171.11652	23.5
172.12227	2.0
173.09602	1.9
173.11818	3.3
173.13205	18.6
175.11185	3.2
175.14729	9.4
177.12648	3.6
179.08525	4.6
180.09265	3.7
181.10091	13.1
183.11661	24.8
184.07271	7.1
185.13220	27.6
187.11102	2.1
187.14757	7.9
189.11192	3.6
189.12689	2.5
193.10065	4.4
194.10965	3.3
195.11671	12.9
197.13278	17.8
199.14735	7.2
201.12711	3.6
201.16243	3.2
203.14235	4.3
205.10030	2.0
207.11633	5.2
209.13222	13.0
209.14966	2.0
211.14729	10.6
213.12720	1.8
213.16336	4.0
214.15735	2.1
215.17952	3.5
217.10048	2.7
219.17448	2.4
221.13216	6.2
223.14771	8.0
225.16367	5.9
227.12752	5.1
227.18016	2.4
229.14256	2.3
229.19423	2.9
231.17380	3.7
233.13499	2.1
235.14775	4.1
237.16374	5.3
239.17886	8.0
241.19421	6.2
249.16350	3.2
251.17906	3.1
255.17628	2.6
257.18970	12.9
259.18033	2.7
259.20432	16.6
261.22058	2.4
271.20544	3.3
273.18564	3.1
275.20084	19.4
276.20316	3.1
279.17676	2.5
283.20609	2.4
285.18463	2.1
297.22223	2.6
315.23178	4.1
321.21948	2.7
323.23788	2.9
331.22675	6.2
333.24234	24.6
344.25668	6.7
347.23306	2.6
349.23694	13.7
350.24030	3.3
353.24780	2.5
365.28522	4.2
367.26096	2.2
381.27689	3.4
421.30304	3.7
433.30341	2.9
435.33374	2.2
445.31097	2.6
501.34821	2.6
508.80887	2.3
513.35675	10.2
515.38751	10.1
527.36945	8.6
533.39832	10.7
539.36896	3.3
553.38849	9.8
554.39764	2.3
567.40302	4.4
589.42029	3.1
607.43512	59.6
608.43427	3.6
625.44470	38.8
626.44543	3.7
840.56250	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.9
63.71347	1.8
65.03925	7.6
67.05494	91.1
69.03422	10.0
69.06690	2.4
69.07056	40.9
71.04971	6.3
73.02887	2.5
79.05481	87.0
81.03407	10.1
81.07043	100.0
82.07369	2.0
83.04978	10.1
83.08601	20.9
85.02886	8.0
85.06514	5.4
91.05464	94.1
92.05795	3.0
93.07030	92.8
95.04958	16.8
95.08002	3.4
95.08593	62.7
97.02861	5.7
97.06506	13.4
97.10153	14.6
98.20624	2.9
99.08089	3.9
103.05452	4.7
105.04500	2.5
105.07014	91.1
106.07327	2.6
107.04942	8.7
107.08575	57.8
109.02865	1.9
109.06495	6.7
109.10144	24.7
111.08064	7.5
113.02293	1.7
115.05437	4.9
117.07006	37.2
119.08564	61.2
119.09409	3.4
120.08907	2.0
121.06474	4.0
121.10126	29.3
123.08037	5.9
123.11662	8.6
125.09621	10.6
127.03902	4.0
128.06235	6.1
129.06978	23.6
130.07799	2.5
131.08546	46.1
133.06488	3.2
133.10109	52.1
134.10446	3.0
135.08043	6.1
135.11662	28.4
137.09566	5.8
139.11150	3.2
141.06952	9.9
142.07762	4.1
143.08540	25.5
145.06424	2.4
145.10095	40.1
146.10544	2.0
147.07986	3.0
147.11670	36.3
149.09587	12.1
149.13211	12.9
151.11113	3.0
155.08572	12.0
156.09270	2.3
157.10136	23.3
159.11673	26.5
161.09621	4.0
161.13228	21.4
163.11136	8.4
163.14748	2.9
165.07024	3.0
165.12654	2.5
167.08540	6.1
169.10117	15.2
171.11676	22.8
173.11801	3.1
173.13246	18.5
175.11150	3.1
175.14812	6.5
177.12708	4.3
179.08588	4.3
181.10094	9.3
183.11678	15.8
185.13235	15.6
187.11180	3.7
187.14810	7.4
189.11116	3.0
189.12753	2.7
190.36572	1.7
193.10179	2.6
195.11644	7.6
197.13234	12.2
199.14810	10.1
201.16447	3.2
207.11836	2.3
209.13214	4.7
211.14780	8.0
213.16389	4.8
221.13239	3.0
223.14795	5.3
225.16391	3.3
227.12730	6.3
229.14243	2.5
229.19597	3.1
229.40843	2.0
231.21071	3.3
235.14911	2.0
239.17807	3.6
241.19490	11.3
247.20569	1.9
251.17775	2.2
255.15894	5.2
257.18912	6.0
259.20575	34.6
260.20911	2.1
261.22101	2.2
269.17404	11.4
273.18503	2.8
275.20139	17.3
276.20282	2.9
309.21701	1.9
313.21573	3.9
315.23050	6.5
325.25070	2.0
327.23059	1.9
333.24213	41.2
344.25760	5.2
349.23730	12.2
350.24057	2.2
351.23907	1.9
365.24054	2.3
365.28409	2.2
367.25095	2.8
403.29773	2.2
417.31677	2.5
435.32547	6.1
439.31885	2.5
453.33554	2.6
489.35001	2.2
513.35669	21.4
515.38232	5.5
527.37207	28.2
531.36249	2.0
533.39709	3.5
545.38019	6.0
607.43451	26.6
608.43347	2.5
625.44489	29.1
626.44873	2.8
840.56110	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	840.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	5.6
61.47429	2.6
65.03925	7.7
67.05495	97.8
68.05813	5.2
69.03415	8.7
69.07058	41.5
71.04978	9.2
71.69928	4.4
73.02879	4.0
79.05022	4.5
79.05481	90.4
81.03407	12.0
81.07040	96.4
82.07397	4.9
83.04974	11.3
83.08592	20.2
85.02888	8.0
85.06531	7.0
91.05466	100.0
91.06045	5.3
92.05809	5.6
93.07027	96.6
94.07390	4.0
95.04946	16.3
95.08592	61.3
95.09194	4.2
96.08955	4.1
97.02872	8.0
97.06507	13.4
97.10152	9.5
99.08083	6.3
105.04499	3.1
105.07014	79.3
106.07347	6.6
107.04956	9.4
107.08575	48.4
108.08926	7.0
109.06489	13.4
109.10139	28.3
110.10488	3.3
111.08088	7.8
115.05474	3.6
117.07004	33.7
119.08562	54.8
121.06520	5.3
121.10127	35.3
123.08037	8.6
123.11686	5.5
125.09599	5.4
127.03878	3.3
128.06230	5.6
129.06990	18.6
131.08551	42.9
133.06465	3.7
133.10106	44.1
134.10443	9.7
135.08067	7.8
135.11665	18.1
137.09555	3.8
141.07011	7.2
142.07770	5.0
143.08545	20.3
144.08829	2.9
145.10126	34.0
147.08076	3.3
147.11674	31.5
147.31508	3.0
149.09630	6.9
149.13274	10.2
151.11182	6.8
155.08536	11.6
157.10088	19.2
159.08066	3.3
159.11681	23.4
161.09615	7.9
161.13272	16.3
163.11168	5.6
167.08548	3.5
169.08832	2.6
169.10095	13.4
171.11636	18.6
172.87131	2.9
173.09590	3.2
173.13237	17.9
175.11092	3.4
175.14758	5.1
179.08589	3.5
183.11702	11.9
184.07274	4.6
185.13260	11.9
187.14780	6.5
189.11295	3.9
189.12766	3.6
195.11708	4.7
197.13277	9.3
199.14813	7.0
201.16225	3.2
209.13239	5.6
211.14856	4.9
213.16420	5.9
217.15901	5.3
227.12607	6.7
241.19495	6.6
253.14290	6.0
254.14691	4.6
257.19037	3.5
259.20517	21.3
260.20883	5.5
261.21988	3.2
269.17380	4.4
273.18466	10.0
275.20013	4.1
291.19565	8.1
293.21063	7.0
316.23422	3.3
333.24069	17.3
334.24417	4.4
335.25751	20.7
347.22562	3.8
365.23090	6.1
513.35687	3.9
515.37292	3.4
527.37256	8.9
531.35797	5.4
545.38190	5.1
607.43042	6.4
609.44904	17.2
625.44617	19.3
812.32410	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	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59895	1.3
61.02910	5.8
65.03915	4.5
67.05492	97.2
68.05837	1.5
69.03413	19.9
69.07054	65.4
70.01322	3.6
70.01740	4.2
71.04982	23.8
73.02909	8.2
75.67563	1.3
77.03901	1.7
79.05479	87.5
81.03405	24.4
81.07039	88.7
83.04961	14.2
83.08607	14.4
85.02886	10.9
85.06511	5.3
91.03950	2.3
91.05460	59.1
93.07026	81.1
95.04955	19.4
95.08587	61.5
97.02876	13.1
97.06513	84.5
97.10159	4.4
98.06815	1.5
98.20784	2.0
99.04440	4.9
99.08083	6.2
101.02363	1.7
103.05461	2.4
105.04490	2.1
105.07014	48.1
107.04945	11.5
107.08573	48.4
109.02856	4.4
109.06493	17.2
109.10143	20.4
111.04395	1.8
111.08088	5.8
113.06023	1.8
115.05424	3.4
115.07550	32.7
117.07005	23.9
119.04943	2.1
119.08559	32.0
121.06497	7.9
121.10128	28.1
123.04475	2.1
123.08026	8.3
123.11711	5.2
125.09583	2.4
126.43583	1.4
127.03879	7.9
127.07548	3.0
128.06194	2.3
129.05507	2.4
129.06982	12.0
131.04909	1.9
131.07054	1.9
131.08542	29.6
133.06465	4.6
133.10101	26.8
135.08015	12.3
135.11664	15.9
137.09595	3.5
137.13245	1.6
139.07541	1.9
141.07028	3.1
142.07722	1.7
143.08553	12.9
145.04988	1.6
145.06421	2.3
145.10117	20.5
147.08020	5.6
147.11639	12.1
149.09615	5.9
149.13231	12.1
151.11151	5.2
155.08522	2.7
157.10075	11.5
158.49403	1.3
159.08047	3.1
159.11639	13.4
161.09636	6.2
161.13223	6.4
162.32430	1.9
162.35501	1.3
163.11147	5.0
163.14775	2.8
167.08511	2.0
169.10107	4.5
171.11554	7.7
173.04410	4.0
173.09599	2.5
173.13232	7.0
175.11198	5.7
175.14876	3.2
177.12669	2.4
179.10600	1.5
181.10095	1.6
183.11627	4.3
185.09641	2.1
185.13194	5.4
187.11220	2.3
187.14809	4.7
191.14264	2.9
195.11836	2.0
195.13777	3.9
197.13339	2.2
199.11121	1.6
199.14819	3.9
201.07585	3.4
201.16382	2.7
203.14232	1.9
207.11728	1.7
213.12743	1.8
217.15840	9.0
221.15303	2.3
227.17924	2.6
233.15359	4.2
239.17799	2.0
241.19356	2.4
243.20966	2.9
245.18950	5.6
253.14336	5.9
255.17641	2.8
259.20554	3.1
261.22177	9.4
269.17413	10.5
273.18436	33.8
275.20071	3.2
291.19537	16.3
297.16824	2.3
303.19653	1.8
307.18967	2.9
329.21182	2.7
333.24066	2.7
335.25742	100.0
336.26151	3.4
347.22153	11.6
349.23550	2.4
365.23233	12.4
383.24451	2.1
391.28543	1.9
492.42868	1.5
515.37207	2.9
529.38770	23.2
551.40973	1.8
557.38055	1.7
567.40472	3.1
607.43640	7.2
625.44476	17.1
626.43506	2.1
643.45331	5.0
841.46497	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	840.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.6
65.03931	3.8
67.05493	91.7
67.08629	1.6
69.03425	18.7
69.07060	61.2
70.83038	5.7
71.04986	23.9
73.02895	8.0
75.12333	1.7
79.05483	81.4
80.05802	2.0
81.03403	19.7
81.07044	92.4
82.07403	1.8
83.04968	13.0
83.08607	11.7
84.45835	1.6
85.02892	9.0
85.06525	5.1
91.05466	60.7
93.07031	74.8
95.04951	19.5
95.08585	50.7
97.02873	12.7
97.06516	100.0
97.10133	6.5
99.04408	5.1
99.08076	6.6
101.02335	2.0
105.04445	1.7
105.07013	40.1
107.04939	8.2
107.08572	37.8
109.02871	3.4
109.06495	20.1
109.10133	21.0
111.04435	2.7
111.08063	6.4
115.05403	2.3
115.07548	29.6
117.06995	22.9
119.08566	28.4
121.06496	7.2
121.10129	23.2
123.04412	2.7
123.08044	7.6
123.11685	6.6
125.09660	2.6
127.03887	7.9
127.07548	3.8
128.06192	2.2
129.06995	7.3
131.08537	28.8
133.06451	6.2
133.10089	22.1
135.08034	9.9
135.11665	17.2
137.09569	2.9
141.06995	3.3
142.07730	3.8
143.08530	11.7
145.06436	2.4
145.10094	19.4
147.08018	6.1
147.11620	9.3
149.09637	5.5
149.13220	14.6
151.11172	4.9
155.08554	3.7
157.10115	9.9
159.07990	3.7
159.11693	10.7
161.09590	6.0
161.13226	4.8
163.11157	4.3
163.14801	4.0
169.10139	4.5
171.11665	6.3
173.04445	8.8
173.09602	1.8
173.13306	7.8
175.11162	2.6
175.14758	2.3
177.12721	6.6
181.10039	2.0
183.11679	2.7
185.09587	1.7
185.13249	4.1
187.11050	1.7
187.14818	2.7
189.12717	3.7
189.16393	1.8
193.12129	1.8
195.13751	5.8
197.13243	2.6
199.14825	5.0
201.07556	2.1
201.12723	2.1
205.15855	2.4
217.15816	8.5
221.15308	3.0
227.17915	2.3
233.15346	2.5
234.78008	1.8
241.19550	1.6
243.21025	3.6
245.18980	5.8
253.14383	5.9
255.17642	2.7
259.20551	2.2
261.22122	9.6
263.20001	1.9
264.17114	1.8
267.16010	2.1
269.17462	17.5
273.18430	34.8
274.18915	3.0
275.20096	3.9
291.19464	19.2
297.16995	3.2
307.18976	4.3
309.20447	1.8
335.25757	75.0
336.26215	3.1
347.22092	10.5
349.23688	1.8
365.23239	11.3
379.10342	2.0
383.24319	3.9
426.00482	2.0
515.37769	2.5
519.56128	1.6
529.38739	32.3
557.38208	3.1
567.39819	3.0
607.43298	5.6
625.44440	14.0
643.45111	5.4
841.43561	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	841.42
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.8
65.03924	1.9
67.05502	6.4
69.03417	78.1
69.07062	1.5
70.06567	1.8
71.01334	5.2
71.04974	10.9
71.70513	1.1
73.06521	1.3
75.04462	1.4
79.05486	5.7
80.05002	0.8
81.03424	1.4
81.07040	8.3
83.04965	32.1
83.08621	1.7
84.08129	1.4
85.02384	1.1
85.02893	18.1
85.06509	1.8
87.00813	16.2
87.04443	3.7
91.05458	6.7
93.07027	10.4
94.06553	3.0
95.04959	3.6
95.07334	2.2
95.08590	7.0
96.08105	4.4
97.02868	2.9
97.06512	1.2
99.04450	2.5
101.06014	6.2
103.05431	1.3
105.01835	16.0
105.07012	9.3
106.06530	1.4
107.04981	1.0
107.07353	1.5
107.08570	7.5
108.04488	1.6
108.08099	4.9
109.02862	1.5
109.06485	7.6
109.10134	7.4
110.06038	2.1
110.09654	9.6
111.03642	1.6
111.04422	30.4
111.08045	0.9
117.06998	2.7
119.08539	6.2
120.04449	1.9
120.08067	6.6
121.06490	3.1
121.10126	11.0
122.06008	3.4
122.09662	2.3
123.08065	1.5
124.07572	1.8
127.03912	5.1
129.05455	54.3
129.06998	2.9
130.07758	1.0
131.08540	7.6
133.10089	10.1
135.04346	0.9
135.11679	2.9
136.07562	3.5
137.05991	0.7
137.08298	1.0
138.09116	11.2
139.07510	0.9
141.06929	1.1
141.09067	1.3
142.07765	3.3
143.08525	8.5
145.04932	1.4
145.10088	11.9
146.06007	1.0
147.11667	19.7
148.07565	3.4
149.13235	2.4
150.05496	1.1
150.09172	4.8
151.11121	1.1
155.08543	3.5
157.10106	22.6
157.11404	1.3
159.11656	13.4
161.13264	2.5
165.09044	0.9
166.08612	20.4
167.07014	1.3
167.08879	1.4
169.10143	1.9
171.11665	9.4
172.03972	1.9
173.13228	4.9
179.10667	2.4
183.11688	2.9
185.13264	3.5
187.14792	1.6
195.11658	0.9
196.12589	1.0
197.13193	7.0
199.14819	1.5
204.06584	2.0
205.06853	0.8
207.11740	0.8
209.13245	0.9
211.08601	1.2
211.12270	0.8
211.14795	5.3
212.08940	0.7
213.10291	1.8
213.16360	1.2
215.05507	3.6
223.08585	1.2
223.12231	1.3
223.14798	0.9
224.15494	1.8
225.10178	2.3
225.16402	3.4
227.11841	1.4
227.17982	1.4
229.19507	3.6
233.06517	24.1
235.08287	0.9
236.09575	0.9
237.07823	1.0
237.10117	4.0
238.10735	1.7
238.17024	1.3
239.08206	0.8
239.11739	4.1
241.09680	1.0
249.10243	3.2
250.11060	1.8
251.11804	6.6
251.17877	4.7
252.12457	2.6
253.13477	2.7
253.19478	100.0
254.19832	3.5
255.08578	2.5
255.11179	1.1
255.21059	4.2
261.12433	1.5
263.11694	2.1
264.12354	1.4
265.09753	2.2
265.13281	3.3
266.14224	1.1
267.11087	2.1
269.12823	6.1
269.18973	1.9
271.10538	1.0
271.20523	30.4
273.09692	3.1
279.11319	3.9
279.21039	0.9
281.12808	1.6
281.22668	1.9
282.09946	1.2
283.10745	1.7
285.12341	2.8
287.10547	0.9
293.22369	1.1
295.10931	1.5
297.12289	14.8
298.12793	1.1
299.13940	2.8
303.13892	1.1
304.14447	1.2
309.12173	5.7
310.13083	1.3
311.13815	3.2
311.23624	1.3
312.14404	1.2
313.11801	2.2
318.12289	1.5
318.16016	1.2
319.24225	0.9
325.11856	2.2
327.13315	2.3
332.13889	1.7
334.15652	1.1
337.25208	4.8
342.16245	1.1
346.15573	1.3
355.26144	2.4
359.16028	0.8
371.16190	1.4
373.14389	1.2
375.26831	1.9
376.16577	1.9
384.17020	1.3
386.18823	0.9
388.16345	5.8
393.27884	5.8
394.17337	2.2
400.16501	2.7
406.17499	10.1
407.17935	1.4
411.28940	19.3
411.33670	0.9
412.29001	1.1
418.17175	3.6
429.29868	13.7
430.17566	8.2
433.25867	5.1
434.16928	1.8
436.18564	2.6
448.18417	1.3
454.19800	3.9
456.21097	1.6
462.20105	4.8
463.20831	0.9
464.22073	1.2
466.19772	5.5
482.19141	2.3
485.25552	1.7
503.25958	1.8
514.21655	9.4
526.21729	5.0
573.33978	3.5
583.25372	7.7
587.24634	3.2
591.35236	1.3
593.43048	0.9
601.25983	1.8
611.24628	1.7
619.27240	8.8
620.27332	1.3
621.28729	1.9
629.25739	1.6
643.27112	1.3
647.27039	31.6
648.27893	4.5
661.27515	1.6
665.31506	5.7
678.28058	1.3
679.29590	45.8
680.29926	6.0
791.31006	1.4
809.32294	7.7
841.33710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.8
60.08160	1.9
61.02915	3.6
63.75046	1.7
65.03922	5.2
66.86417	1.6
67.05496	100.0
69.03417	5.9
69.07056	30.2
69.90878	9.6
71.04990	3.7
72.73456	1.9
73.66965	1.6
77.03916	1.8
79.05482	57.2
81.03399	5.8
81.07045	97.5
83.04967	6.8
83.08605	17.7
85.02879	3.9
85.06535	4.6
85.18742	1.6
86.09682	10.8
91.05466	43.2
91.07468	1.6
92.05805	2.8
93.07031	69.5
95.04942	8.9
95.08598	56.5
97.02872	4.0
97.06525	11.9
97.10162	8.0
99.08085	2.2
105.07017	32.3
107.04954	4.0
107.08577	40.9
109.06501	6.1
109.10133	37.4
111.08047	5.3
117.06977	14.3
119.08567	25.4
121.06511	4.7
121.10130	27.5
123.08078	4.0
123.11702	7.6
125.00002	6.3
125.09617	6.8
129.07004	3.5
131.08557	22.1
133.10106	19.4
135.08060	2.4
135.11655	15.2
137.09595	3.6
143.08548	3.4
145.10063	11.8
147.08095	2.5
147.11653	12.5
149.09599	5.8
149.13205	12.8
151.11076	2.0
157.10138	5.1
159.11684	11.0
161.13229	6.0
163.11111	2.7
163.14810	6.0
165.12730	2.1
171.11670	5.3
173.11729	6.1
173.13269	6.4
175.14777	2.1
177.12695	2.0
184.07301	29.9
185.13176	1.7
187.14755	2.3
189.11131	2.5
195.13792	2.5
199.14716	2.0
201.16380	2.1
211.89191	2.0
213.16515	2.1
227.12750	6.2
229.14297	20.9
243.08531	3.8
243.21097	3.5
257.18997	4.3
261.22070	13.8
269.17404	23.3
275.20026	26.1
293.21075	4.1
317.24811	3.2
331.18646	1.9
333.23944	2.2
335.25757	97.1
336.26239	4.4
346.27420	2.1
349.23682	18.6
367.24722	14.2
437.34167	2.3
489.35660	24.0
507.36899	3.1
529.38837	51.1
530.39191	2.3
533.37573	1.7
535.28339	6.7
549.26746	3.7
569.42419	2.9
609.44983	32.2
610.45148	2.8
627.45972	20.6
698.14673	1.7
842.46497	6.7
843.48468	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	4.9
67.05496	7.1
69.03426	3.2
69.07043	2.3
71.70489	1.0
73.02901	4.2
79.05492	6.6
81.03426	2.8
81.07059	7.0
83.04979	1.3
83.08610	1.1
85.02866	5.4
91.03948	3.6
91.05459	6.0
93.07025	6.7
95.04961	2.0
95.08602	4.2
97.02888	4.5
99.04482	1.3
101.02412	1.5
105.07014	4.8
107.08598	3.4
109.06482	1.2
109.10133	2.1
115.03848	1.2
115.39816	1.0
117.07046	1.6
118.71799	0.8
119.08611	3.6
121.10159	1.5
127.03930	1.8
129.07057	1.0
131.08540	1.6
133.10147	1.8
145.37823	0.8
147.11635	1.4
163.19403	1.0
164.27498	0.8
166.22810	0.8
183.99220	1.0
184.07271	1.4
185.04251	1.2
243.08299	4.1
301.09085	2.4
315.10535	1.1
331.18909	4.0
373.10690	1.1
427.56714	0.9
446.04568	1.1
451.19244	1.7
465.21381	1.3
531.25909	2.1
535.28888	9.6
549.26971	3.6
584.49493	1.0
610.22272	1.0
731.38867	0.9
745.41724	1.9
825.47192	11.1
843.48462	100.0
844.48529	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	845.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02967	0.9
67.05515	1.3
70.06566	1.8
79.05480	1.6
93.06997	1.3
95.07567	1.2
120.33858	1.2
164.89507	1.3
184.07327	4.4
306.07623	1.2
337.18457	1.2
551.26367	2.0
608.42450	1.3
669.25153	1.3
845.48010	100.0
846.48035	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	845.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12289	1.3
70.87310	2.9
100.54074	1.4
380.81161	1.7
396.52689	1.6
832.44202	1.7
845.47943	100.0
846.47797	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	845.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11148	1.5
67.89423	1.5
71.19157	2.2
71.19523	3.1
75.88459	1.5
97.02933	1.4
104.82388	1.5
117.53360	1.2
146.13754	1.3
219.08723	1.7
324.90448	1.6
336.27155	2.0
365.39850	1.5
499.99005	1.8
845.47949	100.0
846.48041	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	845.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08116	0.5
60.29668	0.5
61.02908	4.5
67.05492	6.6
69.03407	3.2
69.07048	2.6
69.41035	5.0
69.62357	0.5
70.06572	1.1
71.04989	0.9
73.02911	3.1
73.27956	0.5
74.33648	0.5
79.05477	5.9
81.03406	1.8
81.07041	5.3
83.08610	1.0
85.02898	4.6
86.09709	1.3
87.04459	0.6
91.03937	2.7
91.05464	6.2
93.07031	6.6
95.04952	1.6
95.08588	4.2
97.02880	3.8
99.04414	1.1
101.02377	1.7
105.07016	5.3
105.53952	0.5
107.08567	2.9
109.02850	0.6
109.06486	0.6
109.10131	1.3
109.84336	0.4
117.07007	1.2
119.08579	4.7
120.20410	0.5
121.10149	1.9
124.33784	0.5
125.02126	0.5
127.03893	1.3
129.06990	1.2
131.08554	1.9
133.10135	1.7
135.11700	1.2
139.03902	2.1
143.08585	0.7
145.10106	1.3
147.11681	2.0
153.05446	1.0
153.17549	0.6
159.11638	1.2
161.13266	0.9
163.03940	1.1
171.11714	0.8
175.03964	1.0
177.05476	2.2
184.07291	3.7
185.04109	1.1
185.07719	0.8
189.05424	0.6
243.08327	3.8
245.36351	0.6
245.69501	0.5
259.20630	0.8
285.40692	0.6
287.12778	0.7
289.14218	0.9
301.09070	1.4
315.16058	0.5
317.20691	0.6
319.68896	0.6
333.20364	2.8
333.24124	0.7
389.22836	0.7
399.19769	0.5
465.20862	3.3
535.28589	6.7
551.28143	7.8
639.38031	2.5
648.19250	0.5
665.40289	2.8
683.41650	1.1
759.43286	1.4
845.49963	100.0
846.50220	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	845.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	5.3
65.03923	0.5
67.05497	7.0
69.03426	3.4
69.07051	3.1
69.75617	2.7
69.98379	0.4
71.01339	0.4
71.04984	0.7
73.02911	4.2
79.05485	5.9
81.03416	1.7
81.07044	5.2
81.07490	0.5
83.04974	0.8
83.08611	1.3
85.02889	5.1
91.03926	2.5
91.05460	5.8
93.07034	6.4
95.04946	1.8
95.08590	3.4
97.02878	5.5
97.06536	0.6
97.10147	0.6
98.20740	0.9
99.04459	0.5
101.02373	1.6
103.12280	0.3
105.07015	4.4
107.04980	0.6
107.08562	2.6
109.02888	0.9
109.06516	0.8
109.10165	1.2
117.07027	1.6
119.08555	3.6
121.10127	1.8
126.70650	0.4
127.03918	1.2
129.05424	0.7
129.07004	0.5
131.08582	1.5
133.10133	2.5
135.11693	1.5
139.03996	0.5
139.83076	0.3
145.10139	1.2
147.11717	1.2
149.13258	0.8
150.21811	0.4
157.10123	0.8
159.11673	0.9
171.11723	0.7
177.05502	0.4
184.07411	0.9
185.04224	1.5
235.13174	0.4
243.08345	4.1
301.08755	1.8
313.08914	0.5
315.10550	0.9
333.20236	2.6
341.12418	0.4
369.15451	0.5
373.11060	0.9
383.17105	0.5
389.22775	0.5
397.18619	0.4
429.16837	0.5
431.23801	0.5
439.19220	0.9
453.20972	0.8
465.20901	1.1
469.20486	0.6
481.20212	0.5
517.28040	0.4
535.28601	8.0
551.28229	7.3
551.35986	0.7
593.30859	0.4
596.21771	0.5
623.30713	1.3
707.40247	0.6
747.42560	0.6
845.50055	100.0
846.50342	8.0
846.65332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.6
67.05487	7.6
69.03416	4.9
69.07072	2.4
71.04967	1.1
71.70369	1.8
73.02900	6.4
73.13109	0.9
79.05481	6.1
81.03423	2.2
81.07037	7.2
83.08601	1.1
85.02898	7.8
86.09660	1.4
91.03967	4.1
91.05466	2.4
93.07014	7.5
95.08580	4.9
97.02885	6.3
97.06505	2.0
101.02370	2.0
105.07050	3.0
107.08602	3.4
109.10146	2.1
119.08557	2.0
121.10155	2.1
135.11711	1.5
184.07391	3.3
194.54564	1.0
243.08472	2.7
290.22452	1.2
348.19385	1.0
349.19766	12.5
350.20102	1.1
517.50140	1.0
519.29150	6.0
567.27649	3.1
845.50018	100.0
846.50769	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	848.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.7
61.02914	11.2
65.03933	2.2
67.05489	94.5
68.34595	0.7
69.03413	3.7
69.07053	8.6
69.55684	5.6
70.06580	0.7
71.04976	3.9
73.02910	3.0
79.05476	19.7
79.05927	1.1
81.03397	1.5
81.07037	42.6
83.04968	1.1
83.08605	7.5
85.02887	14.0
85.06508	3.8
91.03937	10.6
91.05460	14.4
93.06423	1.2
93.07021	25.8
95.04956	2.7
95.08585	32.1
95.09195	1.5
97.02872	7.8
97.06518	1.2
97.10160	1.8
98.21000	2.7
99.04443	1.0
99.08046	1.3
105.07001	8.5
107.08564	15.2
107.09241	1.1
109.06491	1.1
109.10130	80.2
110.10490	1.4
111.08073	2.9
117.06987	2.9
118.07299	0.7
119.08555	11.8
121.10117	12.3
123.08046	1.2
123.11660	4.4
125.09603	2.0
127.03878	4.2
131.08536	7.0
133.10101	6.0
135.11664	9.5
137.09572	3.7
137.13229	1.2
139.11142	0.8
143.08554	0.7
144.60651	0.6
145.04913	3.9
145.10083	4.9
147.11658	4.5
149.13213	6.0
151.14743	0.8
155.10651	5.4
159.11633	4.8
161.13232	3.1
163.05975	4.3
163.14771	3.8
173.11731	22.1
173.13246	4.4
175.14827	1.5
177.16357	0.9
184.07327	1.3
187.14795	2.5
189.11148	1.7
200.08536	0.6
201.16371	0.8
217.19708	0.6
221.80011	0.6
227.12720	5.7
229.14301	100.0
230.14583	1.4
233.22491	1.0
243.21001	7.1
254.44463	0.6
261.22083	25.7
263.23706	0.7
317.24780	4.6
335.25723	86.3
336.26151	2.7
379.29648	1.9
397.31195	1.6
415.31851	1.4
471.34497	1.7
489.35654	84.3
490.35986	2.7
507.36807	7.5
848.50568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	3.0
61.02919	11.4
65.03930	2.8
66.04686	0.5
67.05492	97.9
69.03415	2.7
69.07056	7.4
70.06586	0.5
71.04984	4.4
71.61729	0.5
71.62073	0.9
72.16218	0.4
73.02901	3.5
79.05478	18.2
80.51411	0.5
81.03400	1.3
81.07041	36.5
82.07382	0.5
83.04976	1.1
83.08604	8.4
85.02895	13.2
85.06526	3.3
86.09696	0.9
87.04466	0.6
91.03940	10.5
91.05465	13.5
93.07027	24.4
95.04965	1.4
95.08586	24.4
97.02872	8.8
97.06526	1.2
97.10165	1.5
99.04449	1.3
99.08074	1.1
103.03999	0.6
104.57880	0.5
105.07008	7.4
107.08570	13.6
109.02835	0.7
109.06508	0.9
109.10136	80.3
110.10472	0.5
111.08067	3.7
115.03934	0.6
117.07013	3.3
119.08557	12.0
121.10117	12.0
123.08041	0.5
123.11703	3.4
125.09592	1.8
127.03869	3.8
127.11141	0.5
131.08551	5.3
133.10095	6.0
134.57254	0.5
135.11664	7.8
137.09583	3.1
137.13249	0.9
145.04973	4.9
145.10097	4.6
147.11636	3.6
149.13216	5.3
155.10596	4.0
159.11674	3.8
161.13181	2.9
163.05981	3.6
163.14789	3.1
168.66345	0.4
171.11758	0.6
173.11740	23.6
173.13239	3.8
175.14737	0.6
177.12726	0.6
177.16400	0.9
184.07303	1.4
187.14828	1.9
189.11232	1.0
201.16400	0.9
213.14822	0.6
227.12721	6.4
229.14310	100.0
230.14644	2.0
233.22575	0.7
243.21066	6.2
259.20581	0.6
261.19284	0.9
261.22101	18.4
299.23712	0.8
317.24680	3.4
335.25748	66.3
336.25967	2.3
379.29761	0.9
397.30856	1.7
415.31885	1.7
433.33118	0.6
435.30817	0.7
471.34613	2.6
489.35666	43.8
490.36240	2.6
507.36829	5.8
613.98053	0.6
642.58655	0.5
848.50952	2.6
882.34204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03631	0.5
65.03933	6.7
67.05497	1.8
69.03397	1.1
69.07045	0.5
70.06582	25.4
71.08622	3.0
71.70605	0.5
72.08114	0.7
74.06046	0.4
75.02356	0.4
79.01834	0.5
79.05483	1.6
79.24354	0.3
81.03384	0.7
81.07054	1.5
81.07445	0.4
84.08095	0.5
85.02872	0.4
85.10149	1.5
86.09694	0.3
88.07616	28.9
91.05454	1.0
93.03371	0.6
93.07010	1.6
95.04948	1.3
95.08589	1.0
97.02844	0.4
102.09166	22.1
105.03383	0.5
105.07019	0.8
107.04928	0.4
107.08535	0.7
109.06522	0.4
109.10160	0.4
111.04401	0.3
119.08579	0.6
121.02872	2.7
121.10180	0.5
123.04401	0.5
124.58597	0.4
129.07025	0.4
131.04924	0.4
131.08537	0.6
132.02042	0.4
133.02815	0.9
135.11636	0.3
139.03876	5.3
141.54988	0.4
146.11687	0.5
147.04350	1.9
147.11592	0.4
149.02325	100.0
149.03397	6.1
150.02675	2.1
163.03835	0.4
175.03857	2.9
177.05437	2.1
191.06981	1.9
193.04939	47.6
194.05280	0.9
212.23763	0.8
219.06494	3.1
237.07559	10.7
256.26321	71.1
257.26630	2.3
269.04501	0.7
297.03949	1.3
300.29016	1.2
310.23746	0.5
313.07071	1.6
335.25925	0.7
341.06583	4.0
341.39648	0.4
343.08090	1.0
359.07593	1.4
385.09149	8.1
385.13895	0.5
387.10373	0.3
411.10870	0.8
417.57361	0.3
429.11789	1.8
479.16678	0.4
533.10974	0.9
540.40118	0.4
546.87170	0.3
577.13324	8.8
578.13965	0.7
621.15900	14.5
622.16541	1.2
640.34680	0.7
644.48846	0.5
660.48706	0.4
736.72760	0.4
790.17731	0.4
832.39459	2.2
850.39935	81.8
851.40326	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	851.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02359	0.7
65.03913	2.7
67.05467	1.1
68.99771	9.6
70.68136	2.1
70.68486	0.9
71.68574	0.6
77.03895	0.7
79.05454	1.3
81.03384	2.2
83.01318	0.6
83.04922	0.8
89.03879	1.9
91.05459	5.4
92.69629	0.6
93.03362	1.2
95.04952	12.1
97.57311	0.7
105.03330	1.0
105.06996	1.5
107.04935	59.3
108.05229	0.9
109.02869	1.5
111.00780	8.6
111.04435	4.6
112.49533	0.7
113.38527	0.8
115.05441	1.8
117.03346	1.2
119.04919	45.2
120.05186	1.0
121.02832	7.3
121.06463	0.8
123.04405	67.8
124.04719	0.9
127.03888	31.9
129.06989	1.0
131.04893	2.8
133.06467	5.2
135.04385	32.8
137.02272	3.1
137.05969	1.3
139.03868	44.3
141.07011	1.0
143.04912	0.8
145.02829	1.2
145.06444	5.9
147.04370	31.1
149.02318	14.5
149.05968	1.5
151.02649	1.4
151.03876	25.1
153.01895	0.8
153.06969	1.2
157.06471	3.7
159.04388	2.4
161.02374	1.4
161.05968	5.7
163.03876	47.4
164.04228	0.8
165.01817	2.4
165.04146	1.1
165.05428	5.8
167.03386	6.3
167.04704	1.0
169.05045	1.3
169.06468	2.2
171.04372	5.3
173.05949	2.5
175.03856	3.8
177.05446	6.6
179.03351	10.3
181.04910	1.7
181.06461	3.1
185.04881	0.5
185.05957	6.0
187.03824	3.6
187.07483	1.9
189.01833	0.8
189.05437	7.7
191.03363	15.0
193.04915	2.9
195.04366	0.7
197.05879	3.1
199.07474	2.4
201.05386	4.5
203.03371	16.8
203.06958	2.6
205.04987	3.3
207.02722	1.2
207.06410	1.0
209.05925	0.8
213.05414	8.6
215.03363	5.0
215.06955	8.1
217.04970	3.5
223.02301	2.7
223.07310	0.8
225.05466	1.9
227.03311	1.1
227.07027	3.0
229.04904	9.8
231.02829	1.8
231.06477	60.1
232.03648	0.7
232.06801	1.4
233.04378	6.8
235.02275	1.4
237.05515	1.0
239.07053	1.2
241.04869	3.9
242.05801	1.3
243.02692	1.5
243.06499	9.5
244.03601	1.6
245.04407	100.0
245.07904	3.7
246.04747	2.8
247.05983	17.7
251.05513	1.3
253.04884	2.0
255.06451	11.7
256.03638	0.7
257.04404	18.4
258.05148	1.0
259.05948	11.5
260.06833	0.8
263.05255	1.5
265.04959	2.0
267.06473	1.6
269.04404	5.7
269.07855	1.1
270.05005	1.2
271.06012	11.4
273.07513	28.0
274.04642	7.3
275.05429	35.5
276.05814	1.3
279.06464	1.1
281.04416	3.1
283.05923	8.4
285.04184	3.7
285.07495	3.3
286.04660	1.2
287.05426	26.5
288.05609	1.0
289.06998	14.9
291.05563	0.8
291.08612	12.8
295.05896	3.1
297.03873	3.8
297.07468	1.8
299.05441	6.9
301.06976	15.4
303.04968	2.0
303.08582	2.6
305.07898	0.8
307.05887	2.3
309.03839	2.8
311.05356	2.1
313.06842	2.2
321.07574	0.9
323.05481	4.0
329.06711	1.0
333.07263	1.0
335.05814	0.9
337.07019	0.8
339.04874	1.0
345.07532	1.7
345.68814	0.8
349.06912	0.8
351.04874	4.5
351.08688	1.0
361.07028	2.9
363.08762	1.1
365.06375	2.2
365.10541	0.9
367.07852	1.1
375.08627	2.6
377.06461	1.2
379.08115	3.0
380.08975	1.8
381.09680	16.2
383.07516	5.0
389.06268	2.8
391.08121	5.7
393.05765	3.8
393.10202	7.5
395.07278	1.2
403.07956	2.4
405.05621	3.8
407.07529	32.5
408.07913	1.0
409.09113	23.9
411.10587	2.8
417.09558	2.8
419.07480	6.2
421.09006	7.1
425.08621	7.8
427.04663	1.4
427.10175	19.4
428.10440	1.2
431.07529	0.8
433.09113	1.5
435.10886	4.3
437.08560	15.3
439.10202	1.9
449.08521	2.6
451.09714	1.4
453.11618	2.4
501.11609	2.9
511.09702	1.2
519.12500	2.7
525.11688	2.2
527.09595	2.0
527.44635	0.8
529.10773	1.1
543.12762	2.0
545.10315	4.7
561.13745	2.0
579.14850	3.3
622.52997	0.8
681.16064	1.4
697.15027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.7
67.01867	1.1
67.05450	0.9
68.99770	8.7
69.02003	0.7
69.42009	6.5
73.43796	0.6
77.03905	1.1
79.05461	2.2
81.03398	1.3
85.02903	1.6
89.03896	1.6
90.35786	0.7
91.05455	5.6
93.03374	1.5
95.04945	15.4
95.05515	1.4
103.05476	0.8
105.03374	1.1
107.04930	66.2
109.02843	1.9
111.00776	7.8
111.04422	9.2
115.05463	1.3
117.03374	1.4
119.04916	53.2
121.02833	6.8
123.04404	100.0
124.04720	0.8
127.03889	30.5
129.07004	1.4
131.04910	4.0
133.06473	4.9
133.79756	0.7
135.04385	46.3
137.02301	4.5
137.05957	1.1
139.03870	52.2
143.04839	1.3
145.06494	3.8
147.04373	33.1
149.01219	1.4
149.02315	15.0
149.05948	1.4
150.03084	1.8
151.03874	29.6
153.01846	0.9
153.05475	0.8
153.06844	0.9
157.06479	3.8
159.04388	2.6
161.05956	7.4
163.03870	48.0
164.04352	1.0
165.01787	2.3
165.05466	5.5
167.03381	6.6
167.04716	1.2
169.04997	1.5
169.06438	1.8
171.04414	2.8
173.02371	1.5
173.05936	4.3
175.03879	4.6
177.01865	1.1
177.05417	5.2
179.03351	17.3
181.04958	2.2
181.06450	2.1
183.04330	1.4
185.05916	6.9
187.03871	6.9
187.07472	2.2
189.01744	1.5
189.05435	6.3
191.03357	13.0
193.04910	4.0
197.05949	4.4
199.03853	1.3
199.07497	2.0
201.05449	6.2
202.06204	0.7
203.03345	16.9
203.07022	2.4
205.04970	2.5
207.02740	1.2
207.06444	0.9
209.06061	1.0
211.07462	1.1
213.05406	8.2
215.03406	5.8
215.06944	9.2
216.04065	1.5
216.51567	0.7
217.04938	2.9
219.06517	1.4
221.04346	1.3
223.02272	3.5
225.05386	2.1
227.03339	1.1
227.06987	2.5
229.04906	10.2
231.02835	1.7
231.06477	49.3
232.06784	1.7
233.04332	5.7
235.02373	1.2
237.05429	2.1
239.03377	0.8
239.06963	3.3
241.04886	5.5
242.05763	1.3
243.02713	1.6
243.06471	14.5
244.03766	3.5
244.06877	1.5
245.04399	78.2
245.08235	3.0
246.04774	2.5
247.05959	33.1
251.07089	0.9
253.04887	3.8
255.06461	13.8
257.04385	25.3
257.07944	2.1
258.04974	2.7
259.05908	9.6
260.06534	0.9
261.07571	3.2
265.04898	1.4
267.06485	5.2
269.04407	8.6
269.08041	2.1
271.05899	14.1
271.08588	0.9
273.07523	33.4
274.04721	5.5
274.07544	1.2
275.05432	31.1
279.06503	2.2
281.04330	2.5
283.05914	6.8
285.03961	3.9
285.07541	10.9
286.04480	1.1
286.07709	0.8
287.05438	32.2
288.05597	1.1
289.07019	21.6
291.08588	14.0
293.04401	1.1
293.07654	1.1
295.06012	4.2
297.03903	3.8
297.07532	3.5
299.05423	11.5
301.06998	11.8
303.05054	2.9
303.08667	3.0
305.07794	1.2
307.05881	1.5
309.03891	2.3
309.07352	1.0
311.05399	2.8
313.07086	2.5
315.05179	1.6
315.08768	1.5
321.07498	1.1
323.05524	2.5
329.06717	2.2
329.42712	0.8
331.08447	1.1
335.05389	0.9
337.07080	1.0
341.06448	1.3
345.07483	2.1
347.09042	0.9
349.06989	1.5
351.04913	3.7
361.07004	2.2
363.04819	0.8
363.08624	7.1
365.06314	1.4
365.10239	1.4
367.08044	2.2
373.07004	1.3
375.08591	2.2
377.06253	1.0
379.08072	4.2
380.08609	1.0
381.09631	11.5
383.07504	2.6
389.06326	1.9
391.08047	14.7
393.05719	3.8
393.09927	18.2
395.11459	1.3
401.06421	1.1
403.07919	4.3
405.05280	3.7
407.07449	24.2
408.07840	1.1
409.09064	35.3
410.09488	1.5
411.10678	8.1
411.67633	0.8
417.09702	4.9
419.06598	4.2
419.12149	1.5
421.09235	8.0
425.08649	7.0
427.10156	13.0
431.07089	0.8
433.09161	1.5
435.10873	7.9
437.08304	12.7
439.10110	3.9
444.47375	0.8
449.08459	2.5
451.10132	2.5
453.11719	6.0
467.09229	1.1
501.11832	2.9
502.34607	0.7
511.10257	1.2
519.12256	3.6
525.11731	2.3
527.09863	1.7
529.11243	2.5
537.11786	1.2
543.12762	3.1
545.10278	5.6
555.12695	2.8
561.13550	5.0
563.15039	2.7
571.11316	1.3
573.13300	1.4
579.14771	6.4
681.16107	3.5
697.15466	1.8
699.16614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	5.9
65.70673	1.0
67.05476	1.6
68.99784	9.9
71.07744	1.2
71.08072	2.0
73.80535	0.9
77.03911	1.4
79.05485	1.7
81.03396	4.0
85.02868	1.5
89.03931	1.8
91.05456	5.7
93.03374	2.2
95.04946	9.6
105.03367	1.7
105.06976	1.2
107.04936	75.6
109.02843	1.9
111.00800	9.5
111.04426	14.2
115.05428	2.7
117.03308	1.1
117.06967	1.2
119.04040	1.3
119.04922	52.0
121.02856	6.0
123.04411	100.0
124.04806	1.2
127.03899	39.9
129.06955	2.1
131.04884	6.3
133.06465	4.7
135.04395	55.2
136.04712	1.2
137.02327	5.0
139.03880	53.1
141.06920	1.5
145.02818	1.6
145.06506	5.9
147.04388	50.2
148.04962	1.1
149.02321	13.3
149.05974	2.5
150.03085	1.9
151.03879	30.5
153.01822	1.5
153.06941	2.0
155.04852	1.3
157.06461	4.6
159.04367	3.3
161.05957	7.4
162.03082	2.1
163.03885	41.2
164.04471	1.6
165.01793	1.0
165.05475	6.3
165.06879	1.9
167.03394	6.8
167.04582	1.3
169.06479	3.5
171.04326	7.3
171.08014	1.4
173.06038	5.1
175.03873	5.3
176.04630	1.8
177.05444	6.1
179.03365	19.9
179.04839	1.9
180.04004	1.2
181.04993	1.7
181.06450	2.4
183.04356	1.5
185.05957	6.1
187.03880	7.9
187.07491	3.3
189.01741	1.6
189.05440	10.0
190.02596	4.1
191.03355	13.6
193.04922	3.2
197.05910	5.8
199.07399	1.6
201.05508	9.6
203.03349	20.5
203.06961	1.9
204.04012	1.9
205.04987	3.1
207.06485	1.6
211.03830	1.4
213.05432	7.6
215.03398	13.0
215.06813	5.0
216.04140	6.9
217.04890	3.9
219.06551	1.3
223.02322	5.2
225.05458	3.5
227.06973	3.5
229.04912	14.5
231.02803	2.9
231.06482	38.7
232.03824	1.4
233.04349	5.6
235.02274	1.7
237.05391	2.2
239.07028	3.4
241.04900	6.4
243.02867	4.6
243.06485	17.2
244.03648	19.6
245.04407	64.5
246.04887	1.8
247.05975	59.7
248.06308	2.2
253.04938	4.3
255.06458	12.4
257.01813	1.1
257.04413	28.3
257.07733	2.7
258.05096	2.9
259.05966	11.1
261.03857	2.3
261.07602	3.6
267.06454	9.1
269.04388	7.2
269.07498	1.0
270.05145	1.7
271.05936	22.7
273.04114	2.5
273.07529	38.0
274.04681	33.9
275.05426	14.6
279.06403	2.6
281.04297	1.8
281.08203	1.1
283.06046	5.2
285.00821	0.6
285.03894	21.9
285.07526	21.9
286.04688	4.2
287.02444	2.0
287.05444	25.7
289.06998	20.7
291.05966	1.5
291.08661	15.8
293.04297	1.3
293.07770	1.3
295.05997	4.7
297.03909	4.8
297.07184	1.9
299.05481	8.7
301.06952	2.0
303.04980	9.1
303.08356	1.9
307.05920	3.0
309.03918	3.3
311.05359	2.9
315.04886	3.0
315.08310	1.8
317.07895	1.3
321.07529	2.4
323.05316	3.5
323.08878	1.2
329.07910	1.3
345.07547	7.5
349.06979	3.1
351.04868	3.5
357.07300	1.7
361.07047	2.2
363.08591	10.7
367.08264	5.3
373.07059	4.8
375.08441	3.4
379.08020	3.8
381.09589	3.3
391.08066	62.6
392.08353	2.2
393.06052	2.7
393.09872	22.4
395.11411	2.3
396.08176	1.8
399.08456	1.2
403.08115	15.0
405.05920	4.2
407.07507	4.3
409.09076	31.4
411.10736	18.6
415.08011	2.0
417.09662	5.4
419.06839	2.2
421.09113	35.7
422.09848	1.3
423.10831	1.5
425.08664	1.9
427.10138	6.2
433.09143	9.0
435.10791	5.3
437.08264	3.6
437.13086	1.7
439.10077	2.3
451.10107	1.7
453.11200	1.5
469.11542	1.2
487.59412	1.1
501.11700	2.3
511.10349	1.9
519.12671	4.8
525.11938	5.2
527.08917	1.1
529.11353	2.9
543.12482	3.6
545.10199	5.6
555.12854	2.1
561.13556	2.5
563.15790	5.4
681.15326	2.2
715.17126	1.4
831.81311	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.3
67.05492	1.8
68.99776	10.5
70.44265	1.3
71.27520	2.5
79.05482	1.7
81.03401	3.0
86.44934	1.2
89.03911	2.1
91.05464	5.5
91.70250	1.3
91.81004	1.3
93.03368	2.1
95.04949	8.3
103.05483	2.0
104.43674	1.1
107.04940	74.0
109.02876	2.6
111.00774	9.7
111.04417	10.4
119.04924	51.6
120.05267	1.9
121.02838	6.3
123.04415	100.0
127.03898	34.3
131.04926	4.5
133.06483	2.7
135.04396	42.5
137.02299	6.2
137.05940	1.4
139.03885	43.3
141.06923	1.9
143.04886	1.5
145.06491	6.9
147.04390	40.1
148.04846	1.3
149.01292	1.9
149.02292	9.8
149.05922	1.4
151.03882	28.2
152.16599	1.3
157.06496	5.2
159.04422	4.4
161.02307	1.3
161.05974	8.6
162.03125	1.7
163.03888	45.8
163.07501	1.5
165.01826	3.4
165.05472	6.1
166.35291	1.2
167.03366	7.6
167.07053	4.6
168.07330	1.3
169.06454	3.5
171.04362	6.6
173.02388	2.0
173.05957	5.2
175.03888	4.8
177.05457	6.5
179.03400	18.5
179.37807	1.3
181.04973	1.9
181.06494	2.1
182.09021	1.3
185.05928	6.5
187.03908	7.7
189.05426	6.6
190.02660	2.6
191.03362	15.9
193.04958	3.8
197.06001	5.6
199.03893	2.2
199.07497	2.7
201.05435	11.5
203.03375	18.7
203.07082	3.0
205.04965	3.4
207.02982	1.7
213.05441	8.0
215.03377	14.9
215.07010	6.1
216.04150	5.7
217.04930	2.2
221.04347	2.6
223.02406	5.1
225.05412	2.6
227.07013	2.4
229.04948	15.9
231.02928	3.0
231.06464	37.7
232.03514	1.7
233.04486	5.7
235.02376	2.3
239.07019	4.5
241.04958	5.9
242.05733	1.4
243.02902	5.2
243.06511	16.3
244.03662	19.2
245.04416	69.7
245.08058	2.1
247.05988	57.6
248.06335	3.0
253.05002	4.4
255.06396	11.6
257.04431	30.1
257.07602	2.5
257.08035	2.4
258.05179	2.7
259.05997	8.5
261.03915	1.7
261.07529	3.0
267.06458	10.0
269.04456	9.8
269.07330	1.4
269.07767	1.2
271.05975	17.4
273.04327	1.8
273.07538	38.2
274.00162	1.4
274.04691	27.8
275.05374	16.5
279.06311	3.4
281.04544	3.1
283.06015	4.1
285.03903	21.1
285.07538	16.7
286.04633	5.3
287.05417	24.3
288.05704	1.7
289.07071	18.2
291.08597	13.4
295.05969	4.7
297.03906	6.4
297.07617	4.1
299.05533	10.2
301.07065	4.9
303.04901	7.5
305.08261	2.1
307.05997	3.7
309.03931	4.9
311.05750	1.4
313.07184	1.7
315.04837	3.7
315.08340	2.1
317.08066	2.8
321.07535	2.0
323.05496	2.9
327.05011	2.4
329.07098	2.1
345.07672	8.6
349.07056	3.1
351.05026	4.6
361.07065	2.4
363.08765	11.0
365.09909	2.0
367.08115	3.5
373.07059	6.1
375.08737	6.3
379.08005	2.2
381.09650	5.3
391.08072	62.2
392.08389	3.2
393.06027	3.1
393.09937	22.8
395.11197	3.2
396.08307	3.7
403.08069	15.7
405.05734	3.9
405.10211	2.7
405.18774	2.6
406.19357	2.5
407.07349	11.8
409.09100	35.4
410.09348	1.8
411.10614	10.7
415.07782	3.1
417.09549	4.8
419.07635	4.0
421.09155	30.3
425.08521	3.4
427.10333	8.3
433.09079	9.2
435.10663	8.8
437.08121	6.3
439.10071	1.5
449.08243	2.0
501.11523	2.6
519.12445	3.1
525.11823	6.1
529.11273	3.2
543.12488	3.5
545.10889	4.5
561.13641	3.2
563.15302	3.9
571.11914	1.8
663.14307	2.1
681.15704	3.5
697.15533	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	852.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24856	0.8
65.03919	0.9
67.05491	21.7
69.03416	8.2
69.07054	27.4
69.86244	5.4
79.05479	17.0
81.03402	4.9
81.07040	15.7
83.04953	3.2
83.08601	6.9
85.02889	1.9
85.06502	1.0
86.09670	1.0
87.86586	0.9
91.05466	16.1
93.07023	12.1
95.04958	7.4
95.08585	7.9
97.02874	8.1
97.06511	4.5
97.10152	10.7
98.21133	2.9
105.07009	11.1
107.04920	6.1
107.08569	11.3
108.57403	0.9
109.06492	3.2
109.10125	7.5
111.08057	1.9
115.05472	1.7
117.07011	5.5
119.08547	8.7
121.06490	3.1
121.10131	3.2
123.08031	2.9
125.09605	8.1
127.03915	0.9
128.06230	1.2
129.06975	3.5
131.08545	7.2
133.06459	2.9
133.10112	6.1
134.07248	1.0
135.08009	3.6
135.11676	2.3
137.09581	1.7
139.03851	1.3
143.08514	2.7
145.06471	1.2
145.10063	4.5
146.38083	0.8
147.08008	5.7
147.11659	2.0
149.09569	1.2
149.13242	1.7
151.11151	1.5
157.10094	1.2
159.07979	1.4
159.11697	2.7
161.09590	1.8
161.13234	0.8
161.44312	0.9
163.11157	1.0
165.09048	1.7
169.10127	1.0
169.12187	0.9
171.11621	1.6
175.11177	2.6
177.12720	1.1
189.11217	4.4
203.14084	0.9
211.13341	1.2
223.13211	11.6
225.23943	0.9
227.12781	5.8
245.18965	1.3
249.14807	4.4
253.14323	1.9
255.17383	1.4
263.19931	1.1
267.15820	1.3
273.18423	18.6
291.19482	100.0
292.19852	3.0
309.20502	1.2
347.22122	3.5
365.23163	44.5
366.23618	1.1
434.11893	1.0
557.34283	1.8
637.40680	2.4
655.41907	40.3
656.41638	2.8
794.27008	1.0
840.78271	1.1
853.44836	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	852.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07449	0.5
65.03928	1.0
67.05141	0.9
67.05494	19.8
69.03416	8.0
69.07056	22.6
69.46865	1.9
69.47299	2.8
71.04977	1.2
78.79472	0.5
79.05479	18.8
81.03402	5.7
81.07043	17.6
81.07539	0.6
83.04965	3.5
83.08109	0.6
83.08599	7.3
85.02867	0.8
85.06527	1.0
91.05461	13.8
93.07030	13.5
95.01354	0.7
95.04964	6.1
95.08598	8.5
97.02310	0.9
97.02882	9.0
97.06508	3.4
97.10155	11.1
98.20808	1.5
105.04433	0.6
105.07017	10.8
107.04926	7.6
107.08578	9.5
109.02884	0.9
109.06532	2.4
109.10123	6.4
111.04390	1.2
111.08056	2.2
115.05425	0.8
116.06173	0.6
117.06995	5.0
119.04915	1.7
119.08564	11.4
120.05663	0.5
121.06487	3.7
121.10116	3.6
123.08040	3.3
123.11699	0.7
125.09607	7.8
127.03872	0.7
128.06172	1.2
129.07028	2.7
131.08543	6.3
133.06454	3.0
133.10110	4.4
133.93111	0.5
134.07269	1.1
135.08044	3.4
135.11636	2.6
137.09592	1.5
141.06958	0.8
143.08521	3.0
145.06493	1.2
145.10074	5.0
146.10422	0.6
147.08002	6.4
147.11649	3.2
149.09610	1.5
149.13264	2.3
153.09084	1.2
157.10095	2.1
159.08022	1.0
159.11655	2.6
161.09599	1.9
162.10382	0.7
163.11125	1.5
165.09119	1.3
169.10049	0.7
171.11676	1.6
173.13300	0.9
175.11172	2.9
177.12718	1.6
185.13211	0.8
187.11191	0.8
187.15015	0.6
189.11215	4.1
193.12184	1.1
195.11844	0.8
195.13725	1.3
199.11145	0.5
205.12236	1.7
211.13365	0.9
222.41916	0.5
223.13257	17.4
227.12741	5.7
227.17845	0.5
245.19040	1.1
249.14857	2.9
255.17465	1.2
263.20062	0.5
267.15945	1.6
271.17004	0.6
273.18457	14.7
274.18954	0.5
289.17862	0.8
291.19498	100.0
292.19821	3.3
309.20782	0.8
347.22211	3.2
347.25757	0.6
349.23730	0.6
363.21530	1.1
365.23166	46.4
366.23297	2.0
414.57794	0.6
439.11014	0.5
441.60696	0.6
535.32605	0.9
557.34613	3.1
563.04974	0.6
575.35468	1.3
637.40546	2.0
655.41956	39.4
656.42291	3.3
690.42865	0.7
771.16833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	14.3
61.03193	2.2
65.03947	4.8
67.05497	100.0
69.03423	7.6
69.07058	21.3
70.06604	3.1
71.04979	10.5
73.02896	9.5
79.05484	44.6
81.03396	14.9
81.07045	87.8
82.07366	3.0
83.04976	14.0
83.08602	20.4
85.02885	26.6
85.06536	7.1
87.04495	2.7
91.03942	8.6
91.05466	30.2
93.07036	43.3
95.04961	9.1
95.08591	25.9
97.02876	12.9
97.06532	10.4
97.10152	12.7
99.04469	4.0
105.07019	18.8
107.04949	7.6
107.08586	30.6
109.06509	5.8
109.10145	48.3
111.08046	7.6
117.07002	10.4
119.08586	13.8
121.06490	5.5
121.10127	13.8
123.11705	5.9
125.09612	17.6
127.03906	5.8
129.05469	5.0
131.08575	10.6
133.10062	16.3
135.11690	10.0
137.09677	3.9
139.04031	3.3
143.10654	2.7
145.05000	4.5
145.10117	5.7
147.11656	5.6
149.09602	3.7
149.13240	16.3
153.12755	3.1
153.86711	2.9
157.10110	2.5
159.11703	10.8
163.05994	8.9
163.11110	12.4
165.12677	3.9
172.04718	2.5
173.11743	14.4
177.12648	5.7
190.58022	2.7
191.10701	3.3
193.12215	3.9
195.13776	15.2
199.13243	5.8
209.11676	3.3
211.13399	3.5
213.14795	3.8
227.12845	6.1
229.14314	46.3
239.16493	3.7
257.13876	3.3
267.15887	10.4
269.17435	65.4
283.15305	6.8
301.16504	15.2
301.19525	3.2
360.40436	2.6
411.27481	9.4
423.27301	48.0
424.27454	3.4
437.28876	15.3
463.30496	9.1
495.28897	88.8
496.29761	5.1
513.30536	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	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	12.3
63.40519	0.7
65.03920	2.6
65.21940	0.7
67.05493	32.8
69.03420	8.9
69.07060	9.7
70.06577	2.4
71.01338	0.8
71.04980	7.6
73.02910	2.7
77.58753	0.8
79.05481	35.1
81.03406	100.0
81.07043	41.4
81.53097	0.7
82.03738	1.2
83.04965	24.3
83.08105	1.9
83.08602	35.5
85.02892	45.7
85.06534	2.3
87.04459	0.8
91.03951	6.1
91.05466	45.5
92.05827	0.8
93.07032	26.1
95.04952	39.4
95.08587	14.6
97.02866	12.0
97.06519	5.5
97.10154	6.6
99.04453	2.0
99.08088	2.4
103.05462	1.3
105.04530	1.2
105.07015	33.7
106.07340	1.6
107.04932	10.4
107.08571	11.5
109.02868	1.2
109.06498	7.5
109.10141	5.1
111.04417	3.2
111.08064	12.7
113.05994	3.3
115.05431	2.7
116.06262	1.2
117.06989	2.2
119.04858	1.1
119.08559	26.1
119.09408	1.7
121.06494	3.2
121.10130	12.9
123.00716	0.9
123.04404	0.8
123.08049	4.9
123.11693	2.7
124.03893	1.1
125.02369	1.0
125.05955	1.5
125.09628	2.7
127.03877	2.1
128.06264	0.7
129.06984	18.4
131.07535	1.0
131.08548	20.0
133.06468	4.8
133.10107	15.8
135.11746	0.9
137.05974	0.8
137.09593	2.6
139.03909	1.0
141.06996	1.1
142.07742	5.0
145.04930	2.4
145.06490	1.2
145.10052	4.6
147.08057	4.9
147.11661	23.0
149.09601	10.0
157.10103	23.1
163.06024	2.7
163.11165	2.7
165.12726	4.6
167.06943	0.9
167.08391	0.8
172.03932	0.9
175.11151	20.7
189.12910	0.8
189.79579	0.9
193.12215	61.2
194.12595	1.5
204.06519	1.7
211.13261	86.6
212.13580	2.0
227.12666	0.9
229.14308	0.9
249.14873	1.4
267.15884	40.8
273.14828	1.4
285.16922	78.3
286.17209	1.9
363.14212	0.9
367.22736	2.6
385.23602	5.2
403.24658	2.2
433.25894	1.9
441.26471	1.4
459.27377	33.2
460.28247	0.8
477.28452	30.8
478.28635	2.8
495.29483	84.9
496.29730	4.1
498.50406	0.9
603.61261	0.9
621.32538	1.2
639.33710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.8
65.03916	2.9
67.05492	49.5
69.03411	10.0
69.07054	42.4
69.07364	0.7
69.42779	2.7
69.43199	6.0
71.05002	4.3
73.15900	0.8
77.03967	0.9
79.05479	46.6
80.05807	1.2
81.03408	9.5
81.07042	53.5
83.04967	8.3
83.08605	15.3
85.02890	2.5
85.06521	3.2
91.05461	36.2
91.06038	1.9
91.37464	0.7
93.07028	40.4
95.01341	1.1
95.04948	15.4
95.08588	21.7
97.02872	9.1
97.06512	12.3
97.10146	15.2
98.21513	1.5
99.08090	1.8
103.05471	1.2
105.04515	1.5
105.07010	31.3
107.04934	11.0
107.08573	30.9
109.02820	1.1
109.06504	6.8
109.10139	14.2
111.04410	2.0
111.08080	4.5
113.09619	1.1
115.05444	3.6
117.07005	16.9
119.04935	1.8
119.08559	23.4
121.06465	5.3
121.10130	11.8
123.04404	1.5
123.08050	4.9
123.11681	2.0
125.09610	11.7
127.03926	1.9
128.06209	2.2
129.05479	0.8
129.06969	7.4
130.07767	1.6
131.08548	20.5
132.08844	0.8
133.06485	4.0
133.10104	16.4
133.11021	1.5
134.07230	1.4
135.08055	5.7
135.11678	9.8
137.05992	1.3
137.09586	3.5
139.07635	1.0
141.06967	1.8
142.07739	1.2
142.60497	0.9
143.08534	7.5
144.09325	0.9
145.05031	1.0
145.06432	1.5
145.10097	15.4
147.08035	6.6
147.11661	9.7
149.09595	9.9
149.13226	6.3
150.13593	0.7
151.11147	3.2
153.09119	1.2
155.08531	2.3
157.10117	7.2
159.08087	2.4
159.11664	10.8
161.09579	4.0
161.13231	3.4
163.11128	5.7
165.09070	2.0
165.12766	1.6
169.10086	3.0
169.12305	1.1
171.10262	1.8
171.11670	4.6
173.09608	1.6
173.11870	1.1
173.13182	4.8
175.11140	2.9
177.12714	4.5
179.14279	1.3
181.10092	1.3
181.12236	1.4
183.11687	1.9
185.13220	3.9
187.11177	1.5
187.13261	1.2
189.11198	5.9
189.12743	1.9
189.16335	1.0
191.10806	0.8
193.12083	1.8
195.11945	1.4
195.13805	3.6
197.13135	1.9
199.14835	1.1
203.14250	1.8
205.12239	2.3
209.13344	1.1
215.17863	0.9
217.16093	0.9
223.13254	15.9
227.12723	10.4
229.19516	2.3
231.17290	1.0
233.15318	1.5
237.16527	0.9
239.17941	2.6
245.13617	0.9
245.18954	2.0
247.20512	1.1
249.14833	3.3
253.14281	3.6
253.17943	0.9
255.15544	4.8
257.18988	10.2
261.18475	1.3
262.15485	0.9
263.20001	1.0
267.15851	2.5
269.17429	13.5
273.18445	16.8
275.19998	21.3
291.19482	100.0
292.19821	3.7
293.21075	1.7
309.20651	1.3
331.22549	2.4
333.24313	1.3
347.21988	2.8
349.23660	18.8
365.23151	33.6
366.23444	1.1
367.24686	1.7
461.28952	1.9
519.32800	1.3
541.35303	3.1
545.34680	9.7
559.36200	29.4
560.36774	1.1
621.40942	1.8
639.42511	19.7
657.43677	2.3
703.39569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43833	0.6
64.88574	0.5
65.03912	2.4
67.05491	39.8
69.03417	10.2
69.07053	31.2
69.59543	5.3
70.45353	0.5
71.04413	0.6
71.05001	3.3
73.02879	1.6
74.89952	0.6
77.03887	0.7
79.05478	32.6
80.05785	0.7
81.03396	8.7
81.07038	43.0
83.04962	6.9
83.08600	12.1
85.02883	3.2
85.06511	2.3
86.41364	0.6
91.05460	29.5
93.07024	32.7
95.01294	0.6
95.04954	11.6
95.07999	1.3
95.08585	19.1
97.02868	9.0
97.06499	9.6
97.10144	11.7
98.20840	1.6
99.04498	1.0
99.08070	2.0
103.05429	1.2
105.07011	25.1
107.04924	9.2
107.08571	22.6
109.02856	1.7
109.06488	4.7
109.10136	11.5
111.04432	1.6
111.08050	3.9
113.09623	0.6
115.05427	2.6
116.06203	1.0
116.46452	0.6
117.06992	14.0
119.04899	2.1
119.07729	1.2
119.08554	17.2
121.06500	3.9
121.10107	10.4
123.04387	0.7
123.08039	4.3
123.11671	3.0
125.09595	10.7
125.31487	0.6
127.03902	1.9
128.06184	1.0
129.05457	0.9
129.06985	4.9
130.07777	1.2
131.08536	14.2
133.06470	3.6
133.10103	13.5
134.07204	1.0
135.08020	4.7
135.11656	7.4
137.09555	2.8
139.11157	1.0
141.06902	1.4
142.07744	1.6
143.08482	5.0
144.09308	0.6
145.06442	1.3
145.10098	11.6
147.08029	5.7
147.11678	7.4
149.09583	6.9
149.13243	7.8
151.11168	2.9
153.09061	1.5
153.12717	0.8
155.08501	1.6
157.10085	4.1
159.07976	0.8
159.11656	6.5
161.09624	3.6
161.13222	2.6
162.10382	0.6
163.11136	5.9
165.09109	1.7
165.12747	1.1
169.10097	1.8
169.12169	0.8
171.11574	3.4
173.04474	0.7
173.09569	1.1
173.11868	1.0
173.13223	3.5
175.11108	2.8
175.14743	1.0
177.09052	0.6
177.12720	4.0
179.14253	1.8
181.10106	0.9
181.12201	0.9
183.11653	2.2
185.13263	1.5
187.11150	1.5
189.11191	6.0
189.12772	1.3
193.12132	0.8
195.11908	0.6
195.13728	3.5
197.13211	1.3
199.14856	1.0
201.12740	1.0
205.12242	2.0
209.13339	0.8
211.11115	0.7
211.13110	0.9
213.14711	1.1
215.14235	0.8
223.13239	17.1
223.15343	1.2
227.12729	11.4
227.17845	1.0
229.19392	0.8
231.17412	0.6
233.15318	1.0
239.17908	2.4
244.82373	0.6
245.13870	1.1
245.18974	1.6
247.20576	1.3
249.14748	2.5
251.16347	1.1
253.14273	5.8
255.15723	6.1
257.19000	6.2
263.19925	1.1
267.15875	2.4
269.17426	18.1
273.18430	16.3
274.18854	0.9
275.20001	20.7
291.19479	100.0
292.19879	3.2
293.20993	1.3
309.20584	0.9
313.21829	0.9
331.22726	0.9
347.21994	3.1
349.19574	1.1
349.23676	18.7
353.24643	0.6
365.23166	44.8
366.23523	2.3
367.24835	1.9
413.21710	1.0
423.23776	1.4
461.28839	1.7
517.32007	0.8
519.33099	1.2
527.33636	0.8
535.32764	1.5
541.35419	3.0
543.36609	0.8
545.26678	0.8
545.34576	14.4
546.33472	0.8
559.36230	53.1
560.36652	3.7
611.43170	0.9
621.41132	2.9
639.42432	22.3
640.42566	2.3
657.43768	3.1
703.39532	1.0
810.67596	0.7
854.44910	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.8
65.03918	2.4
67.05491	51.2
69.03414	9.6
69.07053	35.5
71.04988	4.7
71.62595	0.6
71.67786	1.1
73.02881	0.8
76.02205	1.1
77.03893	0.9
79.05479	40.8
81.03394	10.1
81.07038	56.8
82.07366	1.2
83.04963	8.6
83.08602	13.0
84.58608	0.6
85.02866	2.8
85.06514	3.0
91.05460	34.3
93.07027	43.7
95.04395	1.2
95.04946	13.7
95.08001	1.3
95.08588	23.7
97.02874	9.3
97.06516	10.8
97.10146	13.4
99.04417	1.4
99.08080	1.5
103.05429	1.2
105.07008	31.6
105.07722	1.6
107.04930	9.1
107.08570	29.9
109.02867	1.1
109.06501	5.1
109.10136	17.2
111.04426	1.4
111.08050	4.5
115.05428	2.1
117.06980	13.4
119.04916	1.5
119.08562	23.3
121.06494	5.0
121.10123	13.0
123.04393	1.4
123.08048	6.2
123.11690	4.7
124.14490	0.7
125.05952	0.8
125.09612	11.5
127.03899	1.4
127.07550	0.9
128.06200	1.2
128.86075	0.7
129.06989	5.5
130.07745	0.7
131.04898	0.9
131.08537	17.2
133.06479	4.2
133.10112	22.3
134.07222	1.0
134.10469	0.9
135.08020	7.3
135.11646	11.0
137.05916	0.9
137.09572	2.9
141.07001	1.1
142.07730	1.1
143.08517	5.2
145.06442	1.9
145.10089	11.9
147.07996	6.6
147.11653	8.8
149.09558	8.3
149.13213	9.8
151.11145	6.7
153.09038	2.4
155.08542	1.8
157.10132	4.9
159.08015	1.6
159.11662	11.5
161.09578	4.7
161.13197	2.6
162.10384	0.9
163.11145	6.9
165.09059	1.7
165.12636	0.8
167.08513	0.9
169.10054	2.0
169.12209	1.3
171.10223	1.3
171.11652	3.9
173.04411	1.9
173.09584	1.5
173.13243	3.4
175.11162	3.3
177.12747	4.5
179.04831	0.8
179.14265	1.4
181.10213	0.7
181.12279	1.1
183.11630	2.4
185.09572	0.9
185.13327	1.6
187.14833	1.1
189.11188	5.4
189.12695	0.9
193.12196	1.4
195.13770	6.0
197.13197	1.4
201.12732	1.2
203.14253	0.7
205.12230	2.3
215.12700	0.9
215.68431	0.7
217.15967	0.9
223.13251	17.2
223.15326	1.2
227.12730	8.9
227.17873	1.3
229.19440	1.2
235.16808	0.9
239.17863	1.7
245.18918	1.7
247.20612	0.9
249.14830	3.8
251.16476	1.2
253.14302	9.9
255.15605	6.1
257.18930	5.2
259.20438	1.1
263.20016	1.2
267.15851	1.2
269.17422	25.7
273.18433	17.6
274.18460	0.8
275.17017	0.6
275.19986	17.4
291.19482	100.0
292.19849	3.8
293.21002	1.5
309.20535	2.3
331.22604	1.3
340.45190	0.8
347.22147	4.8
349.23676	13.6
365.23154	42.0
366.23471	2.2
367.24847	1.6
431.29410	0.9
461.28683	1.2
477.27939	1.0
491.29868	1.0
527.33929	1.6
535.32098	0.9
541.35339	3.3
541.76868	0.8
545.34698	15.0
546.35327	1.0
559.36224	63.0
560.36554	4.5
596.74780	0.8
621.41052	1.3
639.42438	14.5
657.42908	3.2
703.40826	1.3
707.42303	3.1
748.04315	0.7
854.44800	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	856.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	4.5
62.12099	1.7
65.03918	7.0
67.05491	100.0
68.05817	3.6
69.03079	2.0
69.03412	14.0
69.07051	49.1
71.04977	8.3
71.08612	2.4
77.03854	1.9
79.05475	70.4
80.37930	2.2
81.03388	12.7
81.07039	99.0
82.07364	5.4
83.04978	14.7
83.08592	17.2
85.02885	7.8
85.06518	5.5
91.05458	85.8
91.18836	2.1
92.05798	5.4
93.07027	78.6
94.07339	3.8
95.04942	20.0
95.08585	53.7
96.08918	2.1
97.02857	7.0
97.06499	19.2
97.10143	11.3
98.20893	12.3
99.04519	2.2
99.08066	6.8
103.05404	3.9
105.00201	2.2
105.07008	74.5
106.07346	5.0
107.04912	11.1
107.08567	49.7
108.08904	3.8
109.06522	13.4
109.10138	30.0
110.10477	2.5
111.04433	2.8
111.08041	6.5
115.05421	4.2
117.06995	33.3
119.08553	49.4
121.06470	5.4
121.10119	23.7
123.08044	7.8
123.11685	7.6
125.09594	7.8
127.03891	5.8
128.06145	3.2
129.05435	4.3
129.06973	15.8
130.07797	3.1
131.08542	33.7
132.08943	2.7
133.06499	3.0
133.10098	46.2
134.10426	5.4
135.08029	9.5
135.11659	18.4
137.09589	7.0
137.13269	2.3
139.07533	3.6
139.11110	2.4
141.06961	7.1
143.08498	17.2
145.06435	3.2
145.10098	28.8
147.08043	3.5
147.11647	22.8
149.09586	16.6
149.13239	11.1
151.11143	10.2
152.11449	3.2
155.08533	9.1
157.10057	15.2
159.11652	23.1
161.09601	3.0
161.13213	11.2
163.11159	8.6
163.14897	2.9
169.10127	11.8
171.10248	3.1
171.11641	17.2
173.09496	3.2
173.13216	9.6
175.11122	2.5
175.14835	3.3
176.74185	2.3
177.12720	6.0
179.14290	3.7
181.10103	4.8
183.11681	7.1
184.07307	4.0
185.13222	8.4
187.11147	2.4
187.14749	4.6
189.11128	4.3
189.12708	3.3
194.38840	2.1
195.11707	3.2
195.13713	3.3
197.13216	5.7
199.14751	4.4
203.14258	2.4
207.13742	2.3
213.12833	3.4
221.13223	2.6
223.14877	3.3
225.16350	3.4
227.12721	7.3
227.18121	2.6
229.14377	5.7
235.16884	2.4
237.16258	2.9
239.18019	4.1
241.19554	3.1
247.20573	2.5
253.14305	14.7
253.17628	2.0
254.14723	7.5
255.15685	3.8
257.18921	9.1
259.20459	11.0
269.17374	16.9
273.18466	4.7
274.18555	2.5
275.19992	25.9
276.20325	3.3
291.19516	6.2
293.20981	9.3
331.22479	2.3
333.24350	12.7
335.25623	3.6
349.23862	14.9
351.23834	2.2
365.23239	4.7
366.23462	3.0
367.24512	4.0
421.30994	3.9
439.32181	2.6
463.30557	4.6
513.35449	16.2
527.37415	13.8
543.36200	6.0
561.37042	7.1
607.43195	9.0
609.42676	2.5
625.44269	7.0
641.43335	5.4
645.59760	2.4
856.57849	2.5
857.44110	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	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	4.9
65.03933	6.7
67.05494	100.0
68.05827	3.2
69.03428	11.8
69.06740	3.0
69.07059	33.2
69.21389	2.2
70.07380	2.9
70.87573	7.1
71.04967	7.8
73.02876	2.5
79.05479	79.5
80.05800	3.1
81.03419	11.7
81.07044	86.3
82.07365	4.1
83.04974	15.4
83.08613	20.4
85.02873	9.9
85.06518	4.8
91.05466	81.6
92.05776	3.1
93.07030	77.3
94.07363	4.0
95.04957	20.8
95.08588	39.6
96.08891	2.8
97.02847	7.5
97.06528	19.0
97.10145	7.0
99.04428	3.5
99.08086	4.1
103.05448	3.6
105.04483	2.7
105.07012	66.0
106.07294	3.0
107.04942	12.7
107.08579	46.4
108.05255	2.8
109.06485	9.7
109.10130	25.1
111.08074	7.6
113.09630	3.1
115.05460	6.1
117.07003	25.5
119.08559	43.9
121.06464	8.0
121.10126	25.4
123.08031	5.9
123.11682	8.0
125.09606	6.7
127.03870	4.3
128.06145	5.3
129.06990	11.7
131.08554	27.9
133.09161	4.2
133.10110	45.8
134.10413	5.2
135.08022	7.6
135.11676	22.9
137.09610	4.4
141.06952	3.1
142.07634	3.0
143.08517	14.2
145.10094	28.8
147.08020	3.9
147.11679	19.9
148.73137	2.5
149.09595	10.7
149.13252	14.8
151.11197	7.9
152.11488	3.6
155.08578	6.6
157.10103	12.0
159.11659	18.6
161.09535	2.9
161.13271	10.2
163.11137	9.2
163.14795	3.1
169.10088	7.1
171.08028	2.9
171.11681	10.2
173.13226	9.7
175.11272	3.9
175.14783	2.6
177.12741	4.0
180.04088	2.4
183.11598	5.9
184.07260	7.3
185.13199	3.8
187.14769	3.8
189.11157	2.8
195.13754	5.8
197.13203	3.1
199.14740	3.6
211.14925	2.7
213.16556	2.9
215.16000	2.5
227.12509	3.2
229.14281	4.6
239.17921	4.4
241.19460	4.1
253.14415	14.4
254.14632	8.1
255.15784	10.1
257.18973	4.1
259.20584	15.1
267.15897	3.7
269.17438	23.8
273.18182	2.9
275.20071	24.2
291.19455	5.3
293.20941	10.2
331.22766	3.1
333.24261	13.4
335.25674	7.8
349.23688	11.3
365.23096	4.8
367.24420	3.8
449.29468	2.7
463.30551	7.4
489.34921	3.4
513.34851	4.6
527.37122	13.2
543.36731	5.1
561.36981	7.0
625.43903	4.4
857.45599	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	2.1
65.03924	2.4
67.05495	100.0
69.03407	2.7
69.07054	17.5
71.01354	1.2
71.04985	2.9
73.02906	2.5
79.05479	42.7
80.25796	0.7
81.03408	8.1
81.07043	56.1
82.86788	0.7
83.01297	1.0
83.04969	5.9
83.08608	12.3
85.02900	10.2
85.06513	2.7
87.04446	3.1
91.03935	1.0
91.05466	25.5
93.07032	41.0
95.04957	6.4
95.08590	39.9
97.02843	3.6
97.06516	6.2
97.10161	13.1
98.21456	2.1
99.04454	1.2
99.08054	0.8
103.03925	1.7
105.07014	13.0
107.04307	0.7
107.04951	3.2
107.08574	24.5
109.06521	4.0
109.10139	50.6
111.04408	1.5
111.08080	4.1
113.05898	0.8
114.79823	0.7
115.05409	0.7
117.00469	0.8
117.07000	6.3
119.08551	13.6
121.06494	1.6
121.10130	17.5
123.08050	1.8
123.11705	4.3
125.09614	10.9
127.03930	1.1
129.05444	2.1
129.06966	1.6
131.08542	10.6
133.10121	5.2
135.11671	13.3
137.09610	3.1
137.13203	1.1
139.11172	1.4
143.08542	1.0
143.10635	1.8
145.10098	7.9
147.08130	1.1
147.11633	5.8
149.09552	1.8
149.13205	4.3
153.12712	2.3
155.08504	1.1
155.10634	1.9
157.10065	1.1
159.11649	5.6
161.13177	4.1
163.11151	5.6
163.14778	3.2
173.09604	0.8
173.11720	12.9
173.13235	4.4
175.14775	2.1
181.12210	1.4
187.14781	3.0
191.10687	1.6
193.12233	1.7
199.13268	5.9
209.11740	3.9
211.13208	1.0
227.12790	5.2
229.14314	35.2
243.21083	2.8
254.69916	0.8
257.13831	1.1
261.22086	13.6
267.15887	3.5
277.21573	0.8
283.15396	1.3
294.30176	0.7
301.16412	9.8
317.24683	2.8
327.22971	1.0
335.25754	78.5
336.25970	2.2
395.24194	0.8
399.23795	7.7
399.45953	0.9
477.35522	6.1
489.35788	17.4
489.42865	0.6
532.93994	0.9
543.36609	1.6
548.84338	0.8
561.37787	3.8
579.38727	1.5
659.45166	16.5
707.47839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5759
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05145	5.1
67.05493	100.0
69.03402	4.9
69.07053	20.3
70.88704	4.5
70.89064	5.8
71.04964	9.7
71.45547	2.5
72.45503	2.3
79.05478	56.9
80.87643	2.7
81.03393	13.0
81.07040	79.0
83.04955	5.8
83.08603	13.7
85.06532	5.0
91.05460	40.1
93.07024	64.4
95.04931	11.8
95.08580	45.7
96.93518	2.3
97.02894	4.0
97.06502	12.0
105.07005	29.7
107.04932	3.8
107.08575	39.5
109.06487	6.8
109.10129	40.3
111.08044	6.3
117.06990	16.8
119.08582	25.9
121.10117	23.0
123.08022	3.4
123.11661	9.7
125.09575	4.9
129.06992	3.6
131.08563	21.3
133.10117	21.8
135.08025	3.3
135.11670	16.1
135.40694	3.2
143.08467	4.2
145.10088	15.5
147.11627	9.6
149.09598	5.3
149.13205	12.5
151.11116	2.8
157.10077	4.9
159.11673	13.7
161.13289	5.2
163.11147	4.1
163.16231	2.4
169.10141	6.2
171.11705	2.9
173.11722	4.8
173.13197	5.7
177.12733	3.6
188.43013	2.4
191.64981	2.5
198.68860	3.3
227.12749	6.9
229.14314	23.7
243.20999	3.5
249.88275	3.1
257.18988	6.3
261.22086	11.6
267.15921	5.2
269.17447	7.4
275.19907	18.5
331.22556	3.6
334.83847	2.7
335.25739	63.1
336.25986	3.7
339.17871	4.5
343.50269	2.9
349.23834	12.9
381.26147	3.8
413.21680	3.0
489.35727	19.0
527.36670	3.3
529.38806	66.9
532.41644	3.0
569.41656	8.0
609.45026	27.3
627.45477	4.3
641.47217	11.3
673.42883	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	857.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	0.4
63.85903	0.1
67.05466	0.2
68.99763	0.4
69.03416	3.6
69.46594	1.1
69.47008	0.3
71.01328	0.5
71.04980	9.0
73.02894	1.6
73.86603	0.1
75.04452	0.6
81.02941	0.2
81.03402	3.1
81.07018	0.1
83.04504	0.2
83.04969	3.2
85.02887	16.1
86.03185	0.2
87.00809	1.8
87.04449	0.4
87.43954	0.2
92.02586	0.4
93.03391	0.4
95.04936	0.6
97.02866	1.8
99.04433	1.5
101.05981	0.2
103.03927	0.4
105.01840	1.5
109.02174	0.3
109.02861	3.8
111.00775	0.2
111.04424	2.7
113.05977	0.3
117.01814	0.5
117.05472	0.5
121.02850	0.5
123.04451	0.3
125.02276	0.2
126.03148	0.3
127.03890	3.9
129.01811	0.4
129.05461	2.7
135.04434	0.2
137.05940	0.2
139.03885	0.4
145.04936	1.6
147.02859	0.5
147.06516	0.8
151.03873	0.7
153.01799	4.2
153.05402	0.3
157.05009	0.3
159.02855	1.8
159.06493	0.2
163.05977	0.4
165.01843	0.4
171.06509	0.3
177.05415	0.3
189.03893	0.4
189.07712	0.1
201.05420	0.5
201.07381	0.2
213.03992	0.3
213.07523	0.2
214.01479	0.2
218.05719	0.3
219.06412	0.2
228.04109	0.4
229.04965	1.4
231.02980	0.3
231.04965	1.1
237.07660	0.3
239.09113	0.5
245.04443	0.4
246.05223	1.1
252.54575	0.2
255.08546	0.3
257.04422	1.5
257.10046	0.2
260.03137	0.3
261.07480	0.3
271.06049	0.4
273.03818	1.1
274.04645	2.9
275.11221	0.2
284.03058	0.3
285.03845	1.9
286.04453	0.2
288.06204	0.2
301.03397	0.3
302.04156	9.4
303.04449	0.3
316.05899	0.2
317.06494	100.0
318.06870	3.4
329.06601	0.8
341.06479	0.4
359.07477	2.7
366.07034	0.2
367.08044	0.2
383.07458	0.5
399.15387	0.4
409.08948	0.3
425.08777	0.2
427.10175	1.3
445.11157	0.9
463.12292	2.2
527.62128	0.2
547.10724	0.3
565.11603	1.9
609.17725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08133	5.7
65.03937	7.3
67.05492	100.0
69.03417	8.9
69.07053	38.0
70.06546	3.9
71.04986	4.8
71.69711	4.0
71.70072	5.8
79.05476	77.6
81.03399	9.3
81.07040	95.2
83.04951	7.3
83.08606	17.6
86.09696	38.2
91.05461	80.5
93.07028	78.4
95.04962	9.2
95.08578	45.1
97.06508	8.5
97.10149	11.6
104.10723	6.3
105.07006	85.0
107.04953	10.3
107.08575	43.4
109.06506	7.5
109.10134	37.7
111.08098	6.8
117.07011	27.5
119.08558	58.8
120.65844	3.8
121.06512	5.0
121.10093	26.8
123.11658	7.4
125.00013	21.2
125.09602	7.6
128.06148	4.4
129.06985	16.6
131.08546	36.9
133.10100	46.3
135.11664	22.6
143.08566	17.0
145.06496	4.7
145.10094	33.8
147.11655	38.9
149.09599	4.4
149.13225	9.1
150.07780	14.2
155.08580	6.9
157.10086	22.2
159.11653	19.7
161.09593	4.7
161.13225	22.7
163.11130	6.8
163.14818	4.3
165.12732	5.2
169.10080	8.5
171.11670	20.2
173.11877	4.8
173.13252	15.2
175.14844	9.6
183.11690	10.9
184.07309	91.8
185.13272	10.4
187.14836	5.6
197.13274	6.8
199.14810	7.5
213.16426	4.7
229.14304	18.5
241.19521	25.5
243.61069	4.3
257.18881	6.8
259.20529	47.9
269.17255	22.6
275.19952	36.6
277.21262	4.0
299.68475	4.1
315.23276	7.9
333.24182	58.8
349.23724	10.5
367.25134	18.5
435.32797	6.8
487.33893	6.4
505.35938	7.1
509.35999	5.3
513.35712	9.0
515.38428	8.1
527.37354	54.3
528.37518	4.8
533.39520	7.4
545.38226	19.1
551.41223	5.5
607.43506	37.8
625.44391	34.3
670.79828	4.8
694.62195	4.4
711.92084	4.5
858.50195	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	859.212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02880	0.6
64.31090	0.2
68.99759	0.9
69.03419	4.3
71.01296	0.2
71.04977	5.4
71.68390	0.2
73.02901	0.9
75.04455	0.2
76.83176	0.1
81.03400	4.9
83.04932	0.5
84.08099	0.2
85.02888	14.1
87.00340	0.2
87.00815	3.0
87.04395	0.2
91.03886	0.2
93.03369	0.2
95.04932	0.3
97.02343	0.2
97.02876	2.8
99.04440	1.7
105.01841	2.3
109.02860	5.0
111.00762	0.7
111.04386	0.5
117.01786	0.6
121.02863	0.8
123.04370	0.3
125.05890	0.1
127.03891	6.9
128.04233	0.2
129.01762	0.5
129.05457	1.3
135.04343	0.3
137.02304	2.3
139.03841	0.2
145.04924	2.3
147.02800	0.4
149.02280	0.4
151.03864	0.2
153.01790	2.0
159.02869	2.5
159.04205	0.3
161.05927	0.2
163.03835	0.7
165.01794	1.6
166.02536	0.2
171.02834	0.2
174.26680	0.2
177.01762	0.2
183.02840	0.7
183.04343	0.3
189.03867	0.3
201.05415	1.2
213.03827	0.5
219.06406	0.3
229.04930	2.8
231.04980	1.6
247.05949	0.7
249.06050	0.3
257.04407	2.5
274.04724	0.8
275.05487	0.2
285.03879	1.0
303.04932	100.0
304.05283	2.7
315.04898	0.4
327.04868	0.4
345.06027	1.4
348.10751	0.2
369.05960	0.4
411.07156	0.2
413.08768	0.3
449.10519	0.4
465.10214	23.8
466.10532	0.9
533.09467	0.3
551.10291	1.1
703.74225	0.2
713.15637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4794
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02923	3.8
62.97323	0.6
65.03933	0.8
67.05494	7.5
69.03421	3.6
69.07055	4.5
69.57710	5.4
71.01345	0.9
71.04981	1.0
73.02898	2.8
79.05479	5.9
81.03404	2.9
81.07044	8.3
82.46957	0.6
83.04980	2.0
83.08614	1.8
85.02873	5.3
86.09688	1.0
86.57932	0.6
91.03957	2.0
91.05470	4.6
91.12657	0.6
93.07030	5.9
95.04968	2.1
95.08571	3.3
95.83675	0.6
97.02859	4.0
97.06528	1.4
97.10166	2.1
99.04482	0.9
101.02378	1.6
105.07014	2.8
107.04973	1.0
107.08589	2.5
109.06499	1.1
109.10162	1.7
117.07024	1.8
119.08577	2.1
121.10154	1.3
125.09624	1.3
127.03909	1.5
131.08578	1.3
133.10176	2.0
135.11703	1.3
147.11618	0.7
149.13249	0.9
150.27513	0.7
163.79074	0.5
175.11234	0.7
184.07364	1.5
185.04227	0.8
210.61237	0.6
223.13310	1.1
243.08372	5.0
275.20190	0.7
291.19598	1.4
315.10773	0.8
322.18286	0.6
331.18961	1.5
333.20361	1.7
335.26038	1.2
336.26297	1.2
354.05249	0.6
453.21252	1.1
517.75201	0.7
549.26611	5.2
551.28223	7.2
776.59882	0.7
846.59875	0.8
859.47894	100.0
860.48431	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	861.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.4
79.05493	1.2
81.03405	1.0
81.07046	2.9
91.05480	1.7
93.07034	1.3
98.20731	2.3
111.77183	1.2
121.06511	1.9
156.87589	1.0
189.44014	0.9
239.68503	1.3
331.60834	1.1
395.33151	1.1
434.46997	1.1
551.26495	1.2
861.47455	100.0
862.47864	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	867.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	3.8
67.05492	1.6
68.99786	11.7
69.03435	1.3
71.68680	2.6
75.97636	1.2
77.03903	1.5
79.05470	1.3
81.03401	3.0
83.04962	1.4
85.02893	4.9
89.03921	3.0
91.05467	3.0
93.03385	1.4
95.04948	5.0
97.02861	2.2
98.97595	1.4
103.05460	1.5
105.06916	1.3
107.04943	21.7
109.02861	5.2
111.00783	9.3
111.04420	13.3
116.98588	1.8
117.03373	3.0
119.01936	1.9
119.04926	20.4
121.02846	5.3
123.04411	82.7
127.03896	64.9
127.04852	2.2
128.04239	1.5
131.01923	1.2
131.04890	3.1
133.06476	1.5
135.03351	1.6
135.04398	59.8
137.02303	5.6
139.03877	72.3
145.02782	1.9
145.06470	3.5
147.04382	21.9
149.02298	9.8
149.05998	2.1
150.03119	1.5
151.03882	32.6
151.05051	2.1
155.03484	1.7
155.57220	1.2
157.06418	2.5
159.04359	2.9
161.02879	1.4
161.05927	6.0
163.03877	64.5
165.02034	1.4
165.05461	6.0
167.03363	3.7
169.04976	2.6
169.06442	1.8
171.04378	2.6
173.05943	4.4
175.03902	5.0
177.01935	1.5
177.05412	9.3
179.03369	19.3
181.04970	2.0
183.04626	1.5
185.02986	1.5
185.05956	3.7
187.03917	7.4
189.05466	6.2
191.03345	13.2
193.04916	4.2
197.06007	4.6
199.03983	1.3
201.05450	9.0
203.03377	21.9
205.04930	3.5
207.06435	2.3
213.05391	7.2
215.03365	8.4
215.06917	3.3
216.04199	2.2
217.04955	5.9
219.06444	3.7
221.02946	5.1
223.02382	3.7
225.05440	3.4
227.07045	1.7
229.04935	14.1
231.02899	2.4
231.06479	20.4
233.04407	4.5
239.03941	2.8
241.04932	5.5
243.02879	2.9
243.06502	9.0
244.03650	4.3
245.04425	100.0
246.04886	2.6
247.05989	53.0
253.04919	3.9
255.06551	6.1
257.04419	23.7
258.04950	1.3
259.06006	12.1
261.07483	3.7
263.05624	8.7
265.04922	1.7
267.06375	1.7
269.04398	9.5
271.06015	19.4
272.06265	1.6
273.04092	1.6
273.07724	13.8
273.58304	2.0
274.04608	8.1
275.05441	28.7
279.06586	2.4
281.04492	4.7
283.05899	9.0
285.03879	6.7
285.07468	4.2
287.05447	34.2
289.07019	35.3
291.08676	11.7
295.06012	5.2
297.03772	2.8
297.07486	2.2
299.05389	10.2
301.06973	14.1
303.05029	4.1
303.08582	1.8
305.06586	3.4
307.06033	2.1
309.03891	3.3
309.08060	3.4
311.05600	3.5
313.07068	3.5
317.06940	1.4
321.07962	4.2
323.05438	3.4
325.06897	1.5
327.04987	1.8
339.09149	13.3
349.07224	1.7
351.05112	4.5
354.10800	4.7
354.60706	2.1
361.07040	2.0
363.08710	2.3
365.06451	2.2
373.07144	1.8
377.06671	1.8
379.07932	4.2
381.09497	2.4
383.07562	5.3
389.06519	2.8
391.08078	14.3
393.05460	7.3
393.10239	2.6
395.07617	1.6
397.09052	8.1
403.08066	4.4
405.05893	4.8
407.07590	26.1
409.09143	31.8
411.10654	3.7
419.07663	6.2
421.09100	7.3
423.06949	3.7
425.08566	12.5
427.10123	15.7
433.09125	5.0
437.08780	8.4
439.10068	2.8
443.09552	2.3
449.09091	2.4
451.09830	5.7
453.11984	1.8
495.13220	2.3
513.14752	13.7
517.11096	3.0
527.09418	1.7
529.11060	1.5
535.11798	3.6
539.10168	1.9
541.11328	2.0
545.11005	7.9
557.10382	1.4
571.12567	2.6
577.12787	2.1
579.14752	3.0
589.13184	2.8
697.15399	3.2
713.14813	2.4
731.16241	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	867.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	2.7
66.25700	0.7
67.01848	0.9
67.05473	1.0
68.99773	11.0
70.32941	3.6
77.03929	0.9
79.05463	1.2
81.03400	3.1
83.04977	1.0
85.02867	1.7
89.03899	2.5
91.05473	1.4
92.42735	0.8
93.03365	2.8
95.04936	3.1
103.05421	1.0
105.03335	1.3
107.04945	8.6
109.02869	3.2
111.00784	10.7
111.04427	13.3
115.05389	1.7
117.03329	2.6
117.07010	1.0
119.04921	4.6
121.02837	1.7
123.04407	71.1
124.04698	1.0
127.03890	64.5
131.04892	3.8
135.04391	67.9
136.04706	1.1
137.02324	6.4
137.05946	1.4
139.03873	59.5
143.04860	1.4
145.02823	1.7
145.06462	1.7
147.04367	10.8
149.02316	10.9
149.05933	2.2
150.03072	1.2
151.03877	23.0
155.04810	1.2
157.06496	2.0
159.04372	4.4
161.02299	1.1
161.05954	5.8
163.03877	53.8
164.67726	0.8
165.01778	1.1
165.05420	6.1
167.03375	3.6
167.04713	1.0
169.05003	1.7
169.06480	2.5
171.04402	1.3
173.05965	5.6
175.03860	3.9
177.05424	7.3
179.03345	11.8
181.04921	2.2
181.06445	1.1
183.04349	2.1
185.05942	3.0
187.03851	7.6
189.01752	1.1
189.05452	4.8
191.03352	14.1
193.04933	2.6
197.05881	4.4
199.03793	1.2
201.05443	9.9
203.03369	18.9
203.06923	1.9
205.04910	2.7
207.02733	1.2
211.03874	1.0
213.05455	5.6
215.03378	3.7
215.06970	3.4
216.89606	0.8
217.04959	4.5
223.02328	2.6
225.05426	2.5
227.03333	0.9
227.06952	1.4
229.04895	14.1
231.06537	7.6
233.04375	4.9
237.05406	1.9
241.04845	4.6
243.03017	1.2
243.06508	4.7
244.03568	1.7
245.04408	100.0
246.04784	2.3
247.05965	55.5
248.06270	1.5
253.04939	3.6
255.06520	3.4
257.04395	17.8
258.05130	2.0
259.05966	14.5
261.07468	4.3
263.05417	2.1
267.06381	2.1
269.04471	5.3
270.05069	0.9
271.05954	22.2
272.06348	1.1
273.07553	2.8
274.04684	4.9
275.05453	26.3
279.06555	1.6
281.04340	3.1
282.04993	1.2
283.05969	11.1
285.03888	3.4
285.07047	1.0
287.05426	24.6
289.06992	30.6
290.07321	1.0
291.08563	10.5
293.04306	1.0
295.05914	2.5
297.03879	2.4
297.07748	0.9
299.05484	5.7
301.06995	17.3
303.05103	1.1
303.08551	1.7
309.04025	3.7
311.05338	2.6
312.12448	0.9
317.07977	0.9
323.05402	2.8
331.08087	1.0
333.07309	1.2
351.04962	3.5
361.06937	2.8
365.06424	2.2
377.06339	1.4
379.07916	3.1
383.07587	6.1
385.34882	0.9
389.06586	2.4
391.08066	3.0
393.05960	5.7
395.07434	1.6
396.08368	1.4
397.09119	9.9
405.05878	2.2
407.07544	31.2
408.07684	1.0
409.09061	23.8
411.10693	2.2
419.07410	6.1
421.08911	2.9
425.08563	9.9
427.10217	17.7
431.06934	1.0
433.09082	3.1
435.11032	1.1
437.08646	10.0
439.10220	3.0
449.08524	3.2
451.10095	3.3
453.11761	1.7
517.11066	1.9
527.09448	3.0
535.12128	3.4
541.10974	1.4
545.10754	6.6
559.11523	1.1
561.13892	1.0
571.12158	1.7
577.13837	1.2
579.14734	2.8
697.15070	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	867.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.0
67.05494	1.2
68.99773	8.3
70.23782	1.5
70.24193	1.0
77.03939	0.7
79.05482	1.5
81.03402	1.7
85.02892	0.7
89.03893	2.7
91.05466	1.9
93.03384	2.2
95.01302	0.5
95.04957	2.4
103.05453	1.3
105.03360	1.5
107.04935	7.1
108.32231	0.5
109.02856	2.6
111.00078	0.9
111.00787	10.5
111.04420	13.2
115.05411	1.1
117.03358	1.8
117.07060	0.7
119.04921	5.6
121.02851	1.8
123.04406	78.1
124.04737	0.6
127.03889	47.5
128.04230	0.6
131.04912	2.8
133.06439	0.9
135.04390	59.0
136.04709	1.6
137.02303	5.0
137.05930	1.4
139.03873	50.4
140.04218	1.0
143.04869	1.1
145.02679	0.7
145.06454	1.8
147.04384	11.6
149.02312	10.0
149.05968	1.8
150.03098	0.6
151.02657	1.2
151.03876	22.6
153.01808	0.8
153.05415	0.8
153.06973	0.9
155.03401	0.9
155.04880	1.6
157.06444	1.6
159.04381	3.6
161.02303	1.2
161.05952	4.6
163.03873	53.2
165.01797	1.2
165.05469	7.1
167.03465	3.2
169.04956	1.8
169.06436	1.4
171.04442	0.6
173.05943	4.4
175.03842	3.2
175.07541	0.6
176.04657	0.6
177.05444	7.7
179.03358	10.1
181.04904	1.9
181.06425	0.8
183.04399	1.7
185.05927	3.1
187.03879	7.0
187.07446	1.0
189.01816	0.7
189.05441	3.5
190.02495	0.7
191.03365	12.2
191.04979	1.0
191.06999	1.4
193.04910	3.0
197.05948	3.8
199.03925	0.6
201.05432	8.5
203.03357	15.6
203.07001	1.8
205.04895	2.4
207.02783	1.1
207.06450	1.4
211.03972	0.9
213.05424	4.5
215.03310	4.6
215.06860	3.1
217.04919	3.6
219.06477	1.4
223.02298	2.9
225.05434	2.3
227.03343	1.2
227.07004	0.9
229.04910	12.2
230.05466	0.6
231.02890	0.9
231.06458	7.5
232.06808	0.6
233.04422	4.4
235.02411	0.8
237.05440	0.9
239.07132	0.7
241.04945	3.3
243.02724	0.9
243.06454	4.7
244.03566	1.0
245.04408	100.0
246.04810	2.6
247.05975	56.4
248.06287	1.0
251.05287	0.7
253.04903	3.5
255.06433	3.9
257.04404	18.8
258.05115	1.7
259.05994	13.2
260.06219	0.7
261.03723	0.6
261.05026	0.6
261.07578	4.9
263.05328	2.4
265.04953	1.5
267.06439	1.3
269.04449	6.1
269.07248	0.8
271.05951	19.2
272.06308	0.8
273.07535	3.9
274.04712	5.4
275.05441	30.8
276.05844	0.8
279.06506	0.8
281.04443	3.0
283.05957	8.3
285.03873	3.3
285.07477	1.6
286.04678	1.7
287.05426	27.2
288.05673	0.9
289.07010	35.5
290.07281	0.9
291.08582	11.9
293.04248	1.0
295.05844	2.7
297.03964	1.9
297.07404	0.9
299.05402	7.0
301.07004	13.6
303.04926	2.3
303.08575	1.6
307.05908	1.4
309.03915	2.5
311.05289	1.6
311.08698	0.6
313.06927	1.9
317.08020	0.8
319.05939	0.6
323.05493	2.9
325.06918	0.7
329.06516	0.9
331.08054	1.3
333.07150	0.8
335.05212	0.7
345.07385	1.1
349.06909	0.8
351.05054	2.7
353.06155	0.5
361.06873	2.7
363.04486	0.7
363.08536	1.4
365.06555	2.0
373.06854	0.8
377.06470	1.3
379.08011	2.5
381.09735	1.0
383.07721	3.2
389.06317	2.4
391.08078	3.3
392.93317	0.6
393.05884	4.5
395.07388	1.9
397.09058	11.4
401.06519	0.9
402.26852	0.6
403.07849	1.0
405.05679	2.9
407.07538	36.5
408.07736	1.2
409.09088	25.5
410.09207	0.6
411.10590	2.8
419.07550	5.9
421.09052	3.3
425.08527	11.0
427.10190	12.0
431.07529	1.6
433.09085	2.8
435.10986	3.2
437.08652	13.0
439.10156	3.5
449.08795	3.0
451.10074	3.6
453.11768	4.7
469.11533	1.2
517.11005	1.9
527.09424	2.0
535.12164	2.5
541.11139	2.4
543.12671	0.7
545.10718	6.1
553.11450	0.8
557.10504	0.9
559.12354	1.7
561.14191	1.2
569.54236	0.6
571.11981	1.9
577.12836	2.0
579.14819	5.2
589.13135	1.3
679.13892	1.1
697.15179	3.4
715.16064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.7
63.62354	0.2
65.03922	1.3
66.92120	0.3
67.05493	12.1
68.44073	0.2
69.03413	4.1
69.07062	1.1
70.03693	1.3
71.01335	1.6
71.04978	67.6
72.05315	0.5
73.02902	2.7
75.04462	5.1
75.34619	0.3
79.05475	3.6
79.70950	0.2
81.03386	1.7
81.07037	5.6
83.04966	11.3
83.08595	0.4
85.02887	100.0
85.06519	2.9
86.03222	0.7
86.06056	0.5
87.04446	3.2
91.05457	4.9
93.07028	5.6
93.07584	0.5
95.04948	7.9
95.08581	3.1
97.02879	2.5
97.06506	0.5
97.10181	0.2
99.04438	2.0
101.05996	0.8
103.03926	0.7
105.07006	7.1
107.08572	4.5
109.02876	1.1
109.06500	0.5
109.10135	7.4
111.04421	9.6
111.08027	0.6
113.05987	7.8
115.03899	0.3
115.05426	0.6
117.05479	1.6
117.06991	1.9
119.08553	3.6
121.06492	0.4
121.10119	6.4
123.04435	0.7
123.08160	0.3
123.11678	1.0
125.05942	0.4
125.09571	0.3
127.03886	3.7
128.06195	1.4
129.05453	36.1
129.06844	2.8
130.05798	0.4
130.07806	0.3
131.08540	5.1
133.10097	8.0
135.11678	1.5
137.05991	0.5
139.03888	0.5
141.06992	1.1
142.07759	3.7
143.06964	0.3
143.07320	0.3
143.08531	5.3
143.10445	0.2
144.09314	0.5
145.04941	1.9
145.10091	5.4
146.10391	0.3
147.06496	15.0
147.11652	10.8
149.09598	0.3
149.13225	1.3
153.05449	1.6
153.07047	0.2
155.08524	1.4
156.09267	0.3
156.66383	0.2
157.04971	0.4
157.10098	18.2
158.10451	0.4
159.06551	0.7
159.11664	7.1
161.12105	0.3
161.13190	1.5
163.05998	2.7
163.07336	0.4
163.11160	0.4
165.05446	0.3
167.08481	0.3
169.10089	1.4
171.06465	1.5
171.11664	4.0
173.13229	2.1
175.05984	0.3
175.11174	0.4
175.14763	0.5
181.04802	0.3
181.10184	0.4
181.24519	0.2
182.10931	0.4
183.06528	0.3
183.11655	2.4
185.13167	1.8
187.14810	0.7
189.07452	0.4
192.47256	0.2
193.08609	0.5
195.06511	0.5
195.11639	0.6
196.12608	0.3
197.13213	3.4
199.06058	0.3
199.14780	0.8
201.07564	0.7
209.13132	0.4
209.95511	0.2
211.05931	0.3
211.14761	1.7
213.07559	0.8
213.16391	0.5
223.14813	0.7
224.13702	0.2
224.15625	0.9
225.16359	1.4
231.08574	0.7
237.07503	0.5
238.17148	0.8
239.09079	4.4
239.17744	0.4
241.10736	0.6
251.17896	1.9
253.19470	39.3
254.19870	1.0
255.08533	1.4
255.21092	0.9
257.10168	2.6
259.11655	0.9
262.10593	0.2
269.19003	0.9
271.20517	10.4
272.20886	0.4
273.09695	1.6
275.11185	3.3
283.20615	0.2
283.24222	0.7
291.10696	0.7
293.12201	3.1
295.20596	0.3
309.11716	2.2
345.21762	0.2
351.53229	0.2
365.28265	0.4
377.28223	0.4
381.24078	0.5
395.29001	1.3
399.25323	1.3
413.30478	1.1
417.26321	0.5
433.25970	1.3
579.31555	1.2
725.37061	2.7
837.45087	0.3
849.45624	1.0
867.47156	49.5
868.47247	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	869.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.9
65.03907	1.3
67.05494	17.8
68.05023	2.2
69.03417	1.4
69.07053	4.9
70.02940	0.9
70.06590	1.5
71.68084	1.2
73.01143	1.2
74.00645	1.1
76.02219	2.4
79.05479	16.1
80.05001	4.2
81.03399	1.1
81.07044	17.0
82.06132	0.7
82.06541	3.7
83.08605	3.1
85.01118	1.6
85.02907	1.6
85.04005	1.6
85.06536	1.0
86.00642	10.9
88.02199	2.9
91.05473	11.5
93.07027	17.0
94.06562	4.8
95.04965	2.6
95.08585	9.7
96.08126	1.8
97.01106	16.6
97.02860	1.7
97.03997	1.1
97.06525	1.5
97.10172	1.0
99.02676	1.4
100.02200	0.8
105.04562	0.9
105.06993	8.1
106.06611	1.4
107.08580	7.4
108.08121	1.6
109.06521	1.0
109.10128	5.8
111.02659	2.7
111.08035	0.9
112.02204	1.4
112.03954	0.9
114.05473	1.0
114.66685	0.7
116.01646	4.0
117.07028	3.3
119.08573	3.7
120.08057	1.0
121.10094	5.2
123.02639	4.8
123.11723	1.2
126.03695	1.3
128.94135	0.7
129.06989	1.6
131.08554	4.7
133.10153	5.3
135.02660	1.8
135.11685	2.9
137.04184	4.0
143.02754	3.5
144.01112	1.4
145.10141	2.8
147.02621	0.9
147.11667	2.6
149.04201	2.1
149.13280	3.0
151.05717	1.2
157.10115	2.6
159.11707	3.3
162.02272	1.5
163.05743	1.0
173.13234	1.5
177.12776	2.2
179.04898	2.5
183.11714	1.1
187.14993	0.9
189.03314	5.3
191.08908	1.0
192.13927	0.9
194.15465	2.9
195.13889	1.3
204.13649	0.9
206.15404	3.5
209.10034	2.5
212.16530	1.2
217.10469	3.1
218.15363	2.1
223.11435	1.1
224.14658	0.8
224.16417	4.4
235.11531	3.3
243.85585	0.8
252.14081	18.8
261.21924	0.8
269.17484	1.3
270.15274	2.3
275.17441	0.8
280.13617	6.5
291.19751	0.8
291.23740	0.9
327.17346	1.4
335.25732	15.7
340.01031	0.8
344.19180	2.2
344.80725	0.8
355.16791	5.9
366.72562	0.9
411.19669	2.6
429.20566	4.4
447.21530	4.7
529.38831	7.0
546.41766	1.0
604.40417	4.4
632.39288	0.8
689.41858	6.5
707.42889	100.0
708.43402	6.0
869.47748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.4
65.03918	4.4
67.05498	97.8
69.03426	17.7
69.07056	57.0
70.06562	7.4
71.04990	22.3
71.69393	6.6
72.08137	4.4
73.02908	3.5
79.05484	100.0
81.03398	21.6
81.06609	6.8
81.07047	94.2
81.19131	3.4
83.04984	16.0
83.08608	22.3
85.02887	12.1
85.06532	8.2
91.05473	84.4
92.05801	4.3
93.07027	79.4
95.04946	31.8
95.08591	46.7
97.02879	8.7
97.06524	76.5
97.10146	16.5
98.21351	4.0
99.04448	4.0
99.08096	9.0
101.02369	4.3
101.03101	3.1
103.05443	5.9
103.33157	3.5
105.07012	66.3
107.04952	18.7
107.08575	54.2
109.02867	4.1
109.06524	26.0
109.10134	25.1
111.04427	5.1
111.08058	14.5
115.05460	5.2
115.07547	13.4
117.07017	31.7
119.08561	54.6
121.06502	12.7
121.10127	27.6
123.04427	6.2
123.08044	15.6
123.11698	5.8
125.09644	16.9
127.03868	6.6
128.06177	7.9
129.06978	23.9
131.08562	35.6
133.06509	7.9
133.10104	47.4
133.14662	3.5
135.08028	15.6
135.11710	17.8
137.09583	8.6
139.63310	3.4
141.06856	4.0
143.08537	19.9
145.10112	33.8
147.08012	12.5
147.11655	24.5
149.09633	20.5
149.13245	12.6
151.03870	4.1
151.11139	5.0
153.09204	4.1
155.08540	7.5
157.10110	19.3
159.07951	6.6
159.11649	25.1
161.09628	10.7
161.13194	6.6
163.11169	19.1
165.09024	3.6
165.12798	4.0
167.08513	4.8
169.10098	12.3
171.11650	15.1
173.04379	5.9
173.09547	5.4
173.13170	11.3
175.11128	3.8
175.14803	6.5
177.12709	6.2
181.10114	5.1
183.11638	9.4
184.07341	6.7
185.13272	16.0
187.11253	3.5
189.11156	12.6
193.10138	3.8
193.12201	6.8
195.11777	4.7
195.13737	6.7
197.13181	7.0
199.11105	6.7
203.14236	6.6
217.15691	4.0
221.15263	7.0
223.13283	8.4
227.12720	20.3
229.14178	5.7
237.16370	5.3
239.17932	5.3
247.20518	4.8
253.14273	4.8
255.17294	3.9
257.18964	13.2
267.15997	5.2
269.17365	21.2
273.18469	35.9
275.20050	55.9
291.19449	31.4
293.21158	6.8
296.77869	3.5
347.22061	13.8
349.23776	23.2
365.23141	17.7
367.24890	7.1
383.24014	6.3
509.95847	3.7
510.73590	3.6
519.32977	5.5
541.34888	3.9
543.36371	12.7
545.35248	4.0
559.35760	10.6
577.37054	4.2
610.57544	4.2
621.41437	8.2
639.42224	20.8
657.43109	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	872.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	3.4
65.03909	4.7
65.84514	1.8
67.05495	99.4
69.03416	15.0
69.07057	76.8
69.38615	11.9
71.04982	20.2
73.02895	4.6
77.03894	2.3
79.05481	89.9
81.03405	22.8
81.07043	100.0
83.04969	18.7
83.08607	27.8
85.02889	11.2
85.06521	6.5
86.09679	1.4
91.05464	78.2
93.07028	78.4
94.07329	1.7
95.04952	25.5
95.08588	49.2
97.02425	1.4
97.02894	13.6
97.06516	72.2
97.10141	21.8
99.04421	3.7
99.08061	7.8
103.05438	3.8
105.04500	3.7
105.07011	65.9
107.04942	19.0
107.08575	62.2
109.02853	5.7
109.06495	21.0
109.10133	30.4
111.04408	2.6
111.08064	9.2
113.05981	4.3
113.09594	2.0
115.05422	6.2
115.07560	20.7
116.06208	2.1
117.06997	32.0
119.04897	4.4
119.07742	2.4
119.08566	49.1
121.06499	11.0
121.10126	26.7
123.04430	7.5
123.08044	10.9
123.11635	6.2
125.05930	1.5
125.09605	19.7
127.03898	5.8
127.07557	2.6
128.06180	6.6
129.06979	16.7
130.07803	2.3
131.04857	2.0
131.07043	1.7
131.08543	36.4
133.06490	7.7
133.10107	44.6
134.10468	1.9
135.08049	16.1
135.11687	18.0
137.05785	1.6
137.09567	8.0
139.07555	1.6
139.11104	2.0
141.06967	4.8
142.07741	4.1
143.08543	14.5
144.09329	2.6
145.06445	3.0
145.10098	30.3
147.04340	1.8
147.08017	9.7
147.11647	17.3
149.09595	16.5
149.13216	15.8
151.03943	2.9
151.07527	1.8
151.11162	7.8
153.12814	1.5
155.08502	9.7
155.10555	1.8
156.09329	1.8
157.10089	15.0
159.08018	5.0
159.11673	23.0
161.09615	10.0
161.13248	7.3
163.11165	13.5
165.05498	1.7
165.06990	1.6
165.08998	2.5
165.12715	1.5
167.08556	2.5
167.10638	3.5
169.10056	8.6
171.07942	1.8
171.10234	1.8
171.11612	13.8
173.04454	4.1
173.09596	4.6
173.11705	4.3
173.13240	11.4
175.11143	6.1
175.14789	3.3
177.05391	2.6
177.09041	1.8
177.12715	8.6
179.08582	2.6
179.14206	3.5
181.10042	4.9
181.12172	2.2
183.11636	8.1
185.09604	2.2
185.13237	7.4
187.11142	6.1
187.14749	4.7
189.11232	8.7
189.12694	2.6
191.14203	2.6
193.10138	2.5
193.12234	2.0
195.11638	6.3
195.13773	8.0
197.13203	5.7
199.11143	2.5
199.14761	5.0
201.12712	2.7
201.16258	1.7
203.14177	2.1
205.12146	2.4
207.11708	1.7
209.13194	3.9
211.11191	1.8
211.14793	2.5
213.12723	2.6
217.15822	6.4
219.13762	3.0
221.13313	2.1
221.15323	3.1
223.13181	3.4
227.12714	15.9
227.18010	2.3
229.14317	5.9
229.19424	2.4
233.15395	3.2
235.14819	1.8
235.17072	1.7
237.16365	2.7
239.17766	2.5
245.13641	2.0
245.18941	3.2
247.16791	1.8
247.20599	2.2
251.16479	2.6
253.14204	5.0
255.15584	2.6
257.18982	7.0
259.20508	1.7
263.19995	2.2
267.15778	2.0
269.17422	28.3
273.18488	31.0
275.20026	35.6
279.16125	1.5
291.16342	3.0
291.19473	41.4
291.22742	2.4
293.20996	1.9
297.16644	1.6
307.19107	2.0
309.20532	2.1
329.21146	2.6
341.17255	3.1
347.21869	9.2
349.23633	19.7
352.79221	1.5
365.23001	15.7
367.24783	4.6
383.23938	2.1
431.27811	1.5
439.26489	2.6
449.29376	3.4
463.30441	6.2
493.21936	3.9
519.33087	14.5
541.35028	4.4
543.36652	9.3
559.36237	17.8
607.11902	1.6
621.41522	2.8
639.42468	13.6
640.42096	1.5
657.43518	5.0
872.47705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61044	0.5
65.50854	0.7
68.96495	0.6
71.68998	0.6
84.96024	3.0
91.46301	0.5
98.97558	34.3
110.97544	8.3
112.89606	3.7
112.99100	0.8
114.89268	2.6
116.97771	1.0
116.98597	20.5
124.99102	0.6
128.98582	14.9
131.00105	1.4
134.99638	6.5
140.00085	0.6
140.98570	4.5
143.00134	12.8
144.97939	0.6
146.99623	10.6
149.01131	1.3
152.98560	1.6
158.99615	14.8
161.01195	15.4
162.99097	0.6
165.00665	3.4
170.99606	16.4
173.01237	2.8
174.99080	1.0
177.00676	16.8
179.02225	2.3
182.99638	11.1
183.01558	1.7
185.01233	0.6
189.00673	25.9
191.02151	2.1
192.99966	0.7
194.99744	0.6
195.01663	2.0
196.65143	0.5
201.00673	48.8
202.01036	0.7
203.02266	1.2
207.01743	16.6
212.02370	1.0
213.00609	2.9
219.01721	45.9
220.02072	1.0
224.02238	1.5
225.00783	0.8
225.02779	4.4
227.98434	0.6
231.01711	9.1
237.02782	17.9
239.52763	0.6
242.03288	2.0
243.01715	23.0
245.04988	0.9
248.83736	1.1
249.02779	13.8
260.04297	0.7
261.02774	100.0
262.03214	2.5
267.03918	3.3
273.02728	5.7
279.03827	63.0
280.03992	1.3
284.04376	1.1
291.03815	15.5
297.04907	2.0
302.05472	3.7
303.03687	1.2
308.85788	0.7
309.04901	3.5
314.05399	0.6
321.04871	28.8
333.04868	5.0
351.05923	11.2
369.06799	0.8
380.87537	0.6
381.07114	19.6
382.07440	1.1
393.06732	1.3
399.08057	17.6
422.09937	0.9
423.07947	0.7
441.09195	5.6
471.10175	4.4
513.11212	88.6
514.11438	4.3
531.12286	33.4
532.12878	1.4
775.46771	0.7
782.91516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.55
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.6
64.36700	1.4
65.03915	4.4
67.05490	100.0
68.05814	1.8
69.03421	6.9
69.07055	35.4
69.69757	2.9
69.70171	8.6
70.06566	4.4
71.04960	5.7
73.06497	1.5
77.03908	1.6
79.05476	63.8
81.03408	12.5
81.07040	86.5
82.07349	1.5
83.04957	9.3
83.08603	28.4
85.02888	6.4
85.06522	4.9
86.09679	3.1
91.05464	54.9
93.07027	57.6
95.04935	13.8
95.08591	38.1
96.62401	1.5
97.02866	5.1
97.06512	17.8
97.10149	16.5
99.08052	3.0
103.05441	1.7
105.04508	1.5
105.07014	41.5
107.04939	14.0
107.08575	45.1
109.02824	1.8
109.06491	9.8
109.10137	46.3
111.08049	7.5
113.09641	2.1
115.05431	3.0
117.07011	20.0
119.07731	2.8
119.08553	39.0
121.06499	6.9
121.10104	20.3
123.08041	4.0
123.11683	8.1
124.99980	3.9
125.09602	12.8
127.03879	2.4
128.06198	2.4
128.30286	1.6
129.06990	8.7
131.08534	25.6
133.06454	2.0
133.10103	30.8
135.08034	7.7
135.11670	17.4
137.09575	6.2
141.07004	2.6
142.07787	2.2
143.08537	7.9
145.06393	1.6
145.10089	22.6
147.07993	2.5
147.11670	17.9
149.09576	15.9
149.13228	14.9
151.11037	1.9
155.08528	3.9
155.10661	2.6
157.10126	8.6
159.11650	20.0
161.09555	2.9
161.13242	7.2
163.11160	9.6
163.14745	1.8
165.12804	2.8
169.10115	4.4
171.11609	6.8
173.04428	2.2
173.09538	1.9
173.11690	9.8
173.13219	7.5
175.11179	2.5
177.12729	5.8
179.14287	4.3
183.11594	5.3
184.07292	13.5
185.13248	4.1
187.11121	2.0
187.14723	2.6
189.11226	11.0
191.14131	2.1
195.11847	1.6
195.13765	5.5
197.13287	3.6
199.14799	1.8
201.12790	1.3
209.13347	1.7
211.14796	1.9
215.17918	1.7
227.12717	20.9
227.17825	1.8
228.13087	1.7
229.12051	2.2
229.14284	33.9
229.16458	2.5
229.19420	2.4
239.18050	3.3
245.13678	2.1
255.15877	5.0
257.18994	12.1
259.20496	1.8
267.15897	4.3
269.17404	35.4
275.20023	60.0
283.20612	1.7
291.19339	2.6
293.21194	6.6
313.21585	1.8
331.22623	4.5
349.19571	2.9
349.23676	51.8
350.24033	2.4
367.24695	13.4
383.24173	1.5
397.22247	1.5
399.23615	2.3
409.25674	9.1
413.21594	2.9
423.27298	25.6
433.30478	1.9
439.26624	1.9
441.63583	1.6
445.29382	4.0
449.28998	9.7
451.31839	3.4
463.30469	29.7
464.30518	1.8
469.33548	2.1
485.32693	1.9
503.33514	21.4
519.33246	1.8
521.34430	5.2
525.35632	7.3
529.35010	5.4
543.36725	47.9
544.36987	3.0
547.36041	2.8
561.37506	13.7
583.39465	2.7
607.34076	2.7
623.42944	13.9
641.44165	12.3
659.44250	2.2
665.39014	2.4
687.40588	2.1
874.55774	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	881.451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.4
67.05497	5.6
68.23289	0.3
69.03419	9.4
69.07048	1.3
69.48464	1.5
69.48892	1.4
70.06597	0.4
71.01345	1.6
71.04980	39.3
73.02903	2.4
75.04469	3.1
77.03905	0.4
79.05477	4.9
81.03405	1.3
81.07040	15.4
83.04966	20.0
83.08611	0.5
85.02889	55.1
85.06525	1.2
86.03223	0.4
87.04469	1.8
91.05463	7.3
93.07027	4.9
95.04948	6.8
95.08586	3.7
97.02874	2.4
97.06501	1.3
98.20674	0.4
99.04427	2.3
101.05992	1.7
103.05469	0.7
105.07009	6.9
107.04939	1.4
107.08579	7.2
109.02859	0.6
109.06499	2.7
109.10133	2.1
111.03664	0.5
111.04421	10.5
111.08077	1.6
113.05968	2.0
115.05460	0.9
116.06216	0.6
117.05502	0.7
117.06976	2.1
119.04906	0.5
119.08569	4.0
121.02876	1.0
121.06509	2.0
121.10121	2.6
123.04427	2.5
123.08041	1.6
123.11706	0.5
125.05978	1.0
125.09608	2.8
127.03914	2.0
127.07534	3.3
128.06184	0.9
129.05461	12.3
129.06921	2.3
130.07843	0.4
131.08536	6.0
133.10097	3.7
135.08026	5.2
135.11673	0.8
137.05978	1.9
137.09619	0.9
139.03871	0.7
139.07535	1.3
141.06995	1.0
141.09134	0.8
142.07744	2.2
143.08537	3.9
144.88914	0.3
145.04950	0.6
145.10100	4.2
147.06523	2.6
147.08058	0.6
147.11655	1.9
149.05956	0.5
149.09587	6.3
149.13237	0.5
151.03920	0.4
151.07584	0.8
153.05478	0.7
153.09076	8.6
155.08499	2.2
156.09396	0.4
157.10100	9.4
159.08083	0.6
159.11665	2.2
160.84116	0.3
161.09622	0.7
161.13284	0.5
163.03905	0.6
163.06190	0.8
163.07553	1.8
163.11150	0.5
165.05510	0.5
165.09099	1.5
165.26994	0.3
167.10805	0.8
169.08859	0.3
169.10059	1.8
171.06526	0.8
171.11646	4.8
173.13289	0.8
175.11169	0.8
177.09088	10.3
178.09692	0.5
178.90131	0.4
179.07071	0.4
179.10669	1.0
181.08598	2.5
181.10149	0.9
182.10976	0.5
183.10181	1.0
183.11742	1.6
185.09615	0.4
185.13258	1.5
193.08565	0.5
195.10143	2.0
195.11722	0.9
196.12480	0.9
197.13281	0.9
199.14757	0.5
207.11674	0.6
209.13219	1.4
211.14799	3.9
213.12935	0.5
213.16342	14.1
221.13283	0.5
223.14827	0.5
225.16455	0.4
227.17987	0.8
229.15944	1.3
229.19612	0.4
231.17497	1.3
235.14764	0.5
237.16408	1.1
239.09181	0.9
239.14310	0.5
239.17889	0.6
249.16313	0.7
251.17909	3.3
255.17360	0.4
257.10248	0.5
265.19482	0.4
267.11380	0.4
269.19012	0.7
277.19394	0.4
291.20920	0.4
293.12366	0.4
309.21957	0.5
311.20255	0.5
327.23026	0.5
333.21909	0.3
373.25015	0.6
391.26266	3.5
409.27271	6.8
427.28375	7.7
428.28668	0.5
537.32220	0.6
555.33264	3.1
571.32831	0.9
589.33612	2.9
717.38513	1.6
735.39240	4.4
781.39728	0.4
863.44177	2.2
881.45123	100.0
882.45306	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	882.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.9
67.05491	14.3
69.03413	3.4
69.07050	7.0
70.11935	2.1
71.01304	0.4
71.04977	2.8
71.08615	15.1
73.02901	2.3
79.05475	11.7
79.06417	0.4
80.47066	0.4
81.03399	34.0
81.07038	19.5
83.04514	0.6
83.04964	9.0
83.08115	0.7
83.08601	16.6
85.02884	24.5
85.06506	1.2
85.09678	0.5
85.10159	8.9
87.04445	0.9
89.05979	0.6
91.03941	5.7
91.05460	16.5
93.06522	0.5
93.07030	8.0
95.04945	13.5
95.08585	14.3
97.02877	5.9
97.06499	2.2
97.10147	5.1
98.20773	0.5
99.04430	0.9
99.08025	0.7
105.06340	0.7
105.07005	11.2
107.04940	3.6
107.08579	3.4
109.02829	0.7
109.06483	2.8
109.10130	7.0
111.04401	1.2
111.08063	5.5
113.05950	1.3
115.05387	0.7
117.06982	1.0
119.08549	9.8
121.06437	1.0
121.10097	4.4
123.08013	1.6
123.11677	3.1
125.09601	1.0
127.03863	1.7
129.06969	5.5
131.08536	5.8
133.06422	1.8
133.10097	6.8
135.11627	0.5
137.09576	0.8
137.13220	1.0
142.07706	1.7
145.04903	1.8
145.10127	0.5
147.08008	1.9
147.11661	7.7
149.09575	3.3
157.10089	7.9
163.05971	2.6
165.12703	1.5
175.11162	6.8
193.12199	26.1
194.12589	0.5
197.60893	0.4
211.13249	42.5
212.13693	0.6
239.23692	1.7
242.15656	0.4
249.14932	0.6
257.24625	1.3
267.15857	18.3
267.52545	0.4
285.16907	67.1
286.17218	1.4
287.71744	0.4
313.27298	62.2
314.27631	1.1
397.58304	0.4
505.38782	13.8
506.39471	0.7
523.39832	100.0
524.40070	3.9
741.11896	0.5
800.46802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.54
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26135	0.5
65.03924	0.8
67.05489	14.0
69.03410	2.0
69.07048	7.3
71.04971	2.2
71.08617	16.5
71.43922	1.2
73.02908	2.2
79.05477	10.0
81.03400	26.7
81.07040	18.4
83.04957	6.2
83.08604	14.8
83.26913	0.6
85.02382	0.9
85.02889	15.7
85.06505	0.7
85.10164	8.5
87.04465	1.0
89.06015	0.9
91.03937	3.6
91.05460	12.3
93.07027	6.6
95.04949	10.0
95.08590	15.6
97.02874	4.3
97.06532	1.5
97.10147	4.7
99.04430	0.6
99.08082	0.8
99.11790	0.5
103.07529	0.9
105.07014	9.7
107.04928	3.0
107.08594	2.9
109.02863	1.1
109.06517	1.5
109.10147	6.4
111.04382	0.9
111.08054	4.3
111.11755	0.7
113.05975	1.3
117.06985	0.6
119.08560	7.8
121.06483	0.9
121.10130	3.9
123.08047	1.0
123.11672	3.4
127.03916	1.7
129.06973	4.6
131.08551	4.5
133.06467	1.0
133.10095	5.8
137.09576	0.7
137.13213	0.9
142.07800	0.7
145.04962	1.8
145.10121	1.3
147.08015	1.3
147.11664	6.4
149.09636	2.4
157.10106	7.0
161.67799	0.6
163.05991	1.9
163.11246	0.6
165.12726	1.1
175.11127	6.2
184.07332	0.8
193.12192	17.5
211.13258	24.3
239.23692	1.7
257.24774	1.6
267.15845	12.6
285.16907	34.9
300.98303	0.6
313.27304	68.7
314.27734	1.9
485.58719	0.6
505.38782	17.3
506.39014	0.9
523.39856	100.0
524.40088	3.5
671.01221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.8
67.05485	1.0
68.99439	0.9
68.99776	8.3
69.03416	0.8
70.93202	1.3
70.93540	0.5
79.05455	0.9
79.22051	0.6
81.03407	3.9
83.04980	0.9
85.02893	1.3
89.03895	1.0
91.05459	0.9
93.03383	1.1
95.04932	2.1
98.20628	0.6
105.03352	1.9
107.04935	3.1
109.02242	0.8
109.02864	6.9
111.00795	8.2
111.04427	3.1
115.05427	0.8
117.06973	0.8
119.04901	1.9
121.02819	1.7
123.04410	40.3
127.03894	66.0
128.04218	0.7
130.61891	0.6
131.04877	1.6
133.02798	2.3
135.04391	26.6
137.02298	2.4
139.03879	68.4
140.04185	1.3
143.04889	0.9
145.02843	0.7
145.06425	1.5
147.04384	8.8
149.02333	6.6
150.03111	1.0
151.03880	36.6
153.01797	1.0
153.05417	0.7
155.03378	11.0
157.06476	1.0
159.04361	1.8
161.02254	1.4
161.05968	5.1
163.03877	35.2
164.04398	0.7
165.01837	0.9
165.05515	4.3
167.03432	4.0
167.04710	1.0
169.04918	1.8
169.06378	0.9
171.04402	2.1
173.05971	2.9
175.03871	7.4
177.05417	6.8
179.03365	26.3
180.03777	0.6
181.04916	2.0
181.06447	1.1
183.04327	1.1
185.05925	2.5
187.03894	3.4
189.05424	5.8
190.05757	0.6
191.03352	8.9
193.04950	2.4
197.05948	1.8
199.03842	2.9
200.94426	0.6
201.05443	5.4
203.03366	18.8
203.06985	1.2
204.03870	0.9
205.05009	2.5
207.02887	1.0
207.06441	0.8
213.05463	5.7
215.03378	3.4
215.06998	1.2
216.04149	0.8
217.04971	6.4
219.06468	1.8
221.04378	0.7
223.02347	2.3
225.05432	1.6
227.03366	1.3
227.07010	1.0
229.04933	10.2
231.06471	3.4
233.04428	5.2
237.05339	0.7
241.04849	5.4
243.02840	1.5
243.06523	2.3
244.03648	1.2
245.04417	100.0
246.04790	3.1
247.05977	21.1
251.05556	1.5
253.04881	1.7
255.02574	0.6
255.06448	2.4
257.04398	15.3
258.04919	0.8
259.05972	10.9
261.03900	1.2
261.07410	1.2
263.05460	25.1
265.04984	0.7
269.04355	7.6
270.05136	0.8
271.03195	1.1
271.05930	9.3
273.03528	0.7
273.07574	1.6
274.04648	3.8
275.02426	1.2
275.05447	25.7
277.07025	4.6
279.06500	0.7
281.04401	1.9
281.07593	0.7
283.05981	7.7
285.03833	2.4
285.07153	1.0
286.04544	1.3
287.05447	44.0
288.05804	1.6
289.07034	17.8
290.07288	1.1
291.05511	1.0
291.08569	9.9
295.05960	2.2
297.03915	1.7
297.07224	1.1
299.05518	5.6
301.07050	11.9
303.04935	1.8
303.08643	2.9
305.06494	15.2
307.06052	1.6
309.03860	2.1
309.07239	0.8
311.05524	1.3
313.07007	1.3
316.43887	0.7
317.06467	2.0
319.06070	0.9
323.05511	2.1
333.07367	1.2
337.06824	1.1
349.07153	0.7
351.04950	2.3
361.06882	2.6
365.06512	1.8
373.06924	0.8
377.06567	1.0
379.08057	2.9
383.07663	3.6
389.06616	3.1
391.08182	1.1
393.06158	4.3
395.07513	1.7
397.09155	1.4
405.05963	2.5
407.07556	31.7
408.07880	1.0
409.09161	14.1
411.10522	1.6
413.08554	5.7
413.81104	0.7
417.05853	1.0
419.07645	5.4
421.09152	1.9
423.06848	1.6
425.08591	13.2
427.04761	0.9
427.10217	16.1
431.07697	1.7
435.06744	1.1
437.08612	5.4
439.10095	2.0
441.07968	1.3
443.09549	2.1
449.08749	4.4
467.09793	1.3
527.09943	0.7
533.10718	1.2
545.10510	4.0
551.11725	3.9
557.10535	2.4
561.10455	1.3
575.11499	0.8
579.15125	2.8
587.11383	1.0
593.13116	1.9
605.12665	1.2
695.14337	0.7
697.15100	0.9
713.14874	2.1
731.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.4
66.98990	0.5
67.01871	1.0
67.05484	1.1
68.99416	0.4
68.99773	7.9
70.94824	1.9
77.03929	0.7
81.03411	3.0
83.04958	0.7
85.02869	0.8
89.03902	1.3
91.05463	0.8
93.03400	1.7
95.04942	1.6
102.24421	0.5
103.05451	0.9
105.03387	1.5
106.56892	0.5
107.04942	4.7
109.02838	3.1
111.00787	10.2
111.04429	12.4
117.07052	0.6
117.72865	0.6
119.04930	3.0
120.38638	0.5
121.02849	1.9
123.04411	55.9
124.04720	0.7
127.03897	57.5
131.04910	1.6
133.02814	1.7
133.06468	1.0
135.04398	37.9
137.02336	4.2
137.05937	1.6
139.03880	71.0
140.04185	0.7
141.06995	1.0
143.04941	0.5
145.06409	0.9
147.04378	7.3
149.02315	9.9
149.05960	1.5
150.03098	1.0
151.03885	34.8
153.01790	1.5
153.05452	1.1
155.03336	2.0
155.04951	0.7
157.06445	1.1
159.04408	2.2
161.02274	0.9
161.05920	3.0
163.03874	28.6
165.01772	1.0
165.05473	4.7
167.03363	3.2
169.04930	2.3
169.06346	1.1
171.04437	1.0
173.05994	3.2
175.03889	6.9
177.01878	0.8
177.05440	7.0
179.03365	35.7
180.03806	0.5
181.04915	2.4
181.06348	0.9
183.04370	1.6
185.05988	1.5
187.03831	3.9
189.01772	0.8
189.05446	4.0
191.03366	11.5
191.07027	0.6
193.04893	3.0
197.05962	2.9
199.03899	1.3
201.05437	7.6
203.03355	18.5
203.06834	0.9
205.04916	1.3
207.06471	0.9
211.03903	1.5
213.05440	4.7
213.95270	0.5
215.03386	2.1
215.06947	2.2
216.04243	0.8
217.04904	4.3
219.03021	0.6
219.06500	0.7
221.04358	1.2
223.02286	3.3
225.05380	1.8
227.03342	0.7
228.04100	0.5
229.04924	11.4
231.02919	1.3
231.06493	6.4
233.04387	6.1
235.02228	0.7
237.05492	0.9
241.04958	3.3
243.06526	3.4
245.04419	100.0
246.04897	1.1
247.05983	50.1
248.06152	0.7
251.05344	1.1
253.04919	2.0
255.06479	1.3
257.04413	18.1
258.05020	1.4
259.05954	8.2
261.07568	4.2
263.05460	11.1
265.05020	0.7
267.06454	0.8
269.04385	5.1
271.05957	15.2
273.03845	0.9
273.07614	1.7
275.05466	33.6
277.07004	1.3
281.04349	2.5
283.06024	2.9
285.03833	1.5
287.05453	41.5
288.05835	0.7
289.07019	21.9
290.07205	0.7
291.05527	1.0
291.08615	13.7
293.04535	1.0
295.06073	1.1
297.03873	2.5
299.05469	15.3
301.07162	3.3
303.08759	1.2
305.06516	13.7
307.05530	0.7
307.08490	0.8
309.03885	1.9
311.05505	2.0
317.06506	14.3
321.07513	1.6
323.05383	1.5
327.05344	0.6
329.06570	1.3
331.06049	0.7
339.05038	1.3
347.07614	1.7
349.06924	1.9
351.04889	1.8
363.04669	0.7
365.06537	0.8
377.06372	2.2
379.08105	1.6
381.05896	1.5
383.07648	0.8
389.06284	1.2
391.07916	1.5
393.05945	3.9
395.07593	2.1
397.09143	12.2
399.06967	1.7
405.06006	6.2
407.07550	5.8
409.04135	0.9
409.09109	9.5
411.06802	0.8
417.06113	0.8
419.07419	2.2
421.09259	1.5
423.07065	21.9
425.08636	15.4
426.09143	0.8
427.10208	7.6
433.09042	0.6
435.07071	4.2
437.08722	3.2
439.10034	0.8
441.08142	9.7
443.03970	1.1
443.09705	16.5
443.15820	0.8
447.06302	0.5
449.08771	2.7
451.10004	3.1
453.08029	7.6
455.09299	1.7
465.08060	1.2
467.09860	1.3
469.10809	1.5
527.09619	0.9
533.11023	1.0
533.98181	0.6
545.10559	3.8
551.11475	1.4
557.10437	2.7
561.10211	1.3
575.11700	1.7
587.11890	0.7
593.12720	0.9
595.14191	3.4
630.35095	0.6
697.15076	1.1
713.14172	1.2
715.16113	1.2
731.15485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.0
67.01866	0.5
67.05483	1.2
68.99776	8.7
69.00136	0.6
69.03426	0.5
71.68605	0.5
71.68967	0.4
77.03916	0.8
79.05486	1.0
81.03408	2.7
83.04949	0.8
85.02895	1.1
89.03933	0.9
91.05462	1.2
93.03397	0.9
95.04961	2.4
99.04476	0.6
103.05463	0.6
105.03366	1.6
107.04942	5.5
109.02837	2.7
110.03555	0.4
111.00784	10.4
111.03648	0.5
111.04421	8.8
115.05436	0.7
117.03341	0.5
117.07023	0.5
119.04933	3.0
121.02835	1.7
123.04408	52.4
124.04743	0.8
127.03890	45.2
128.04253	0.5
129.06851	0.5
131.04883	1.6
133.02849	2.1
133.06459	0.9
135.04388	27.3
136.04686	0.4
137.02336	2.9
137.05933	1.9
139.03874	54.1
140.04207	0.8
141.06889	0.5
143.04842	0.8
145.02785	0.7
145.06447	1.8
147.04375	9.9
149.01213	0.8
149.02316	8.3
149.05936	0.9
150.03047	0.9
151.03877	32.5
152.04300	0.6
153.01822	1.2
153.05406	0.6
155.03369	2.9
155.04854	0.9
157.06433	1.0
159.04376	1.9
161.02289	1.0
161.05972	2.8
163.03871	25.3
165.01830	0.8
165.05464	4.7
165.06833	0.6
167.03412	3.1
169.04919	2.0
169.06352	0.7
171.04332	1.3
173.02290	0.5
173.05927	2.7
175.03879	6.9
177.01802	0.6
177.05452	7.7
179.03365	34.1
180.03661	0.8
181.04890	1.7
181.06346	0.6
183.04391	1.6
185.05887	2.1
187.03859	3.4
189.05420	4.3
191.03355	12.0
191.07062	0.6
193.04959	2.6
197.05962	2.3
199.03920	1.5
201.05412	6.1
203.03355	18.0
203.07117	1.1
204.03665	0.6
205.04938	2.6
207.06467	1.0
211.03835	0.8
213.05428	4.8
215.03479	2.3
215.06963	1.5
217.04912	4.4
219.02812	1.2
219.06427	1.9
221.04340	1.0
223.02316	4.0
225.05457	1.8
227.03381	1.6
227.06709	0.4
229.04918	10.8
230.05548	0.9
231.02896	0.8
231.06467	5.3
233.04449	4.9
235.02277	1.0
237.05518	0.7
241.04890	3.7
243.06532	2.4
245.04408	100.0
246.04703	1.9
247.05972	39.8
248.06354	1.2
251.05539	0.9
253.04970	1.8
255.06540	1.7
257.04395	18.5
258.04941	2.3
259.05945	6.2
261.03851	0.5
261.07538	2.4
263.05453	9.3
265.05157	0.7
267.06451	0.4
269.04422	6.2
270.05081	0.9
270.56705	0.4
271.02863	0.6
271.05954	12.2
272.06357	0.6
273.03925	1.0
273.07483	1.7
274.04465	0.9
275.05447	32.1
277.07004	1.4
279.06314	0.6
281.04410	3.0
282.05209	0.5
283.05869	2.2
285.03882	1.8
286.04935	0.6
287.05450	33.0
288.05740	0.9
289.07013	14.6
290.07278	0.6
291.08597	11.5
293.04428	0.9
293.07785	0.6
295.05917	1.7
297.03937	2.4
297.07120	0.6
299.05435	10.1
300.06033	0.5
301.06985	2.0
305.06476	13.3
307.05887	1.4
309.04044	1.9
309.07147	0.5
311.05374	2.3
313.06796	0.9
317.06500	10.3
321.03973	0.7
321.07364	1.8
323.05374	0.8
325.06693	0.5
329.06558	1.3
331.05927	1.3
337.06934	0.6
339.04904	0.8
347.07520	1.2
349.06863	2.1
351.05038	2.0
361.06982	1.0
363.04803	0.6
365.06436	0.5
377.06421	1.9
379.07877	1.5
381.05820	0.9
387.04950	0.6
389.06558	0.9
391.08023	1.3
393.05951	4.5
395.07285	2.5
397.04382	0.7
397.09137	9.0
399.07028	1.2
405.05933	6.9
405.10669	0.6
407.07684	3.2
409.09094	8.1
411.11053	0.5
417.05945	0.9
419.07730	2.7
421.08936	1.1
423.07004	22.3
424.07245	1.1
425.08591	11.0
427.10226	4.4
431.07129	0.5
435.06934	4.7
437.08853	2.0
439.10440	0.7
441.08151	8.3
443.09665	11.5
449.08514	2.9
451.10184	1.6
453.08078	9.1
455.09531	0.8
465.08029	1.8
467.09985	2.3
469.11188	1.2
500.80045	0.5
527.09631	1.0
533.10376	0.8
543.08923	0.7
545.10614	4.1
551.11523	1.5
557.10950	2.4
561.09857	1.1
571.11896	1.1
575.11444	1.5
587.11993	0.7
589.12891	1.2
593.12378	1.3
595.14490	1.9
605.12744	0.7
697.14789	1.3
713.14136	1.1
715.15845	1.3
721.81427	0.5
721.95404	0.5
731.16083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05903	0.5
65.03931	1.7
67.05494	18.4
69.03419	10.7
69.07050	2.5
71.01336	2.0
71.04978	69.5
73.02910	4.5
75.04469	6.4
79.05473	6.6
81.03397	2.2
81.07043	29.1
83.04965	23.8
83.08607	0.9
85.02888	100.0
85.06523	14.9
87.04447	2.7
91.05462	7.8
93.07027	7.5
95.04951	16.8
95.08590	13.1
96.61219	0.6
97.02867	3.6
97.06488	2.7
98.20708	1.7
99.04425	6.4
99.08066	1.0
101.06004	2.2
103.03922	0.8
103.05449	0.8
105.07009	10.2
105.43536	0.6
105.94045	0.6
107.04948	1.1
107.08566	5.0
109.02857	32.5
109.06506	4.1
109.10136	12.3
111.04427	12.6
111.08073	1.7
113.05991	1.7
113.09612	0.9
115.07565	2.0
117.05482	1.7
117.06991	3.3
119.08549	6.9
121.06503	4.7
121.10132	3.5
123.04410	42.6
123.08042	7.4
123.11686	3.8
124.05210	1.2
125.05965	3.2
125.09603	7.9
127.03897	3.5
128.06224	1.4
129.05458	30.9
129.06862	3.1
130.07774	0.7
131.08551	9.0
133.06427	1.2
133.10091	8.3
135.04370	0.8
135.08037	2.2
135.11659	1.9
137.05975	3.2
137.09581	7.6
139.11147	5.0
141.05450	1.0
141.07014	1.3
141.09070	10.6
142.07780	2.2
143.08539	6.3
145.04938	1.8
145.06209	0.6
145.10112	7.9
147.06512	10.8
147.08022	4.7
147.11649	4.1
149.09592	2.7
151.11150	7.2
153.05460	2.6
153.09103	1.2
155.08531	2.7
156.09317	0.7
157.04967	0.8
157.10110	13.9
159.08109	0.6
159.11682	4.7
161.09639	2.5
161.13248	1.7
163.06030	2.7
163.11186	1.3
165.09084	65.0
167.08514	0.6
167.10649	5.9
168.38983	0.5
169.10121	2.7
171.06497	2.2
171.11647	7.4
173.09592	0.7
173.13222	1.5
175.11156	0.8
179.10635	38.4
181.10193	1.6
181.12192	3.1
182.10982	0.7
183.10143	2.8
183.11717	2.8
184.12457	0.6
185.13225	3.0
187.14818	0.7
193.10133	1.0
194.10942	0.7
195.06401	0.6
195.11725	2.0
196.12383	1.1
197.13277	1.3
198.13976	0.6
199.11232	0.6
199.14845	1.4
201.07574	1.0
207.11664	1.0
209.13249	1.9
211.14780	9.7
213.07642	0.7
213.16339	27.8
221.13394	0.6
223.14854	1.3
225.16403	1.9
227.14307	1.0
227.17941	2.3
229.15851	3.7
231.17426	3.0
235.14793	1.7
237.16420	2.5
239.09132	4.8
239.17891	1.4
245.18776	0.6
246.85275	0.6
249.16409	3.3
251.17941	4.5
253.15787	0.7
253.19559	1.1
255.08690	1.2
255.17377	1.1
257.10229	2.6
265.19650	0.6
267.17358	3.1
269.19022	2.0
271.20486	1.1
273.09631	0.9
275.11206	3.5
277.19479	1.1
279.20911	2.6
281.19043	0.8
285.18539	0.8
293.12244	2.7
293.22992	0.7
295.20468	1.2
297.22052	3.0
309.11838	1.5
309.22232	0.8
315.23248	1.9
327.14243	0.7
337.25192	0.8
365.28439	0.8
375.26782	8.4
393.27805	26.7
411.28867	44.6
412.29349	1.1
429.29950	25.5
430.30457	0.7
474.05304	0.6
539.34052	0.9
555.33429	0.7
557.34521	0.8
573.34119	11.1
573.42517	1.0
591.35150	8.5
701.38214	1.0
719.39630	6.9
737.40637	2.3
847.44574	0.7
865.45624	25.8
866.45612	1.0
883.46368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.4
67.05494	5.7
67.65469	0.3
69.03417	4.5
69.07050	1.1
70.06579	0.3
70.33806	1.3
70.34138	0.3
71.01343	1.0
71.04981	62.8
73.02906	2.9
75.04472	4.9
79.05479	3.6
81.03410	1.5
81.07047	6.5
83.04970	11.9
83.08598	0.4
85.02892	100.0
85.06515	0.5
86.03207	0.5
86.06083	0.6
87.04445	3.0
91.05463	4.9
93.07037	4.8
95.04951	2.0
95.08596	3.4
97.02885	2.1
97.06506	0.8
98.06011	0.4
99.04441	2.3
101.06017	0.8
103.03950	0.6
105.07018	6.1
107.04971	0.3
107.08575	4.1
109.02888	1.4
109.06482	0.6
109.10139	6.4
111.04427	10.5
113.05978	0.9
115.05458	0.4
117.05489	1.4
117.06975	1.9
119.08559	3.4
121.06502	0.8
121.10135	5.4
123.04423	0.8
123.08065	0.6
123.11715	1.1
125.05971	0.6
127.03886	3.3
128.06230	1.0
129.05461	36.3
129.07014	2.3
131.08539	4.7
133.06500	0.5
133.10115	7.0
135.04407	0.6
135.11676	0.9
137.05939	0.5
137.93762	0.3
139.03966	0.3
141.06972	0.7
141.09094	1.1
142.07751	3.2
143.08548	4.5
144.09346	0.3
145.04939	1.8
145.10095	5.4
147.05334	0.7
147.06503	14.1
147.11661	10.3
149.09691	0.3
149.13275	0.7
151.03926	0.5
153.05444	1.7
155.08565	1.3
157.04939	0.5
157.10100	19.8
159.06511	0.9
159.11662	6.6
161.13249	1.1
163.03918	0.5
163.06000	2.9
163.11198	0.4
165.07663	0.3
165.09068	0.7
169.10118	1.2
171.05283	0.3
171.06444	1.5
171.11653	3.3
173.13254	2.6
175.06058	0.8
175.11147	0.6
179.06981	0.4
181.10124	0.4
183.06529	0.5
183.11679	2.3
185.13272	1.2
187.14851	0.7
189.07626	0.7
193.08603	0.6
195.06543	0.5
195.11684	0.5
196.12637	0.3
197.13261	3.3
198.13814	0.4
199.14941	0.4
201.07610	1.0
201.12820	0.4
209.13289	0.6
211.14786	2.6
213.07655	1.1
213.16365	0.6
217.15730	0.3
223.14795	0.5
224.15529	0.8
225.07741	0.3
225.16319	1.3
231.08682	0.4
237.07634	0.9
238.17184	0.7
239.09111	6.7
239.18069	0.3
251.17924	1.9
253.19485	43.9
254.19904	0.8
255.08646	2.0
255.21149	1.0
257.10190	3.4
269.19104	1.0
271.20538	14.8
272.20773	0.4
273.09756	2.5
275.11246	2.7
279.21063	0.4
291.10727	0.4
293.12268	4.4
309.11786	1.8
381.24197	0.7
393.27945	0.9
399.25153	1.1
411.28726	1.8
416.05551	0.3
417.26755	0.6
429.29956	1.1
433.25873	0.9
457.27271	0.5
579.31989	0.8
659.40198	0.3
725.37488	3.1
737.41052	0.5
784.49139	0.4
865.45160	0.4
883.46802	13.9
884.47577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	4.8
69.03410	4.2
69.07044	1.8
69.07378	0.4
70.06566	0.6
71.01338	1.7
71.04979	63.4
71.68945	0.5
73.02900	2.7
75.04467	5.5
76.92467	0.4
79.05485	3.7
81.03403	1.7
81.07043	6.0
83.04966	13.3
83.08601	0.4
85.02887	100.0
85.06513	1.1
86.03229	0.7
86.06043	0.8
87.04449	2.9
91.05466	4.2
93.07025	5.0
95.04958	2.2
95.08579	2.8
97.02877	2.1
97.06519	0.9
99.04432	2.9
101.05999	1.0
101.08584	0.4
103.03933	1.3
105.07008	6.9
107.08560	3.7
109.02870	1.9
109.06509	0.5
109.10133	7.1
110.82895	0.4
111.04423	11.6
112.37147	0.4
113.06012	0.9
115.05428	0.6
116.96729	0.4
117.05483	1.5
117.07005	2.2
119.08562	3.6
121.10110	6.1
123.04417	0.9
123.11684	1.2
125.06001	0.8
127.03891	4.2
128.06210	1.2
129.05453	42.1
129.07008	3.0
131.08546	4.2
133.10101	8.0
135.04442	0.4
135.11668	1.4
137.05917	0.6
139.03885	0.9
141.06982	1.3
141.09093	1.6
142.07765	3.3
143.08522	4.9
145.04919	2.3
145.10107	5.0
147.06491	17.5
147.11664	11.2
153.05438	2.3
155.08525	1.3
157.04974	0.5
157.10100	18.8
157.11397	0.9
159.06534	0.7
159.11674	7.3
161.13248	1.1
163.05994	3.6
163.11255	0.4
165.07626	0.4
165.08998	0.7
167.43884	0.4
169.04977	0.7
169.10133	1.4
171.06458	1.9
171.11667	3.8
173.13219	2.7
175.11084	0.5
181.10179	0.5
183.06540	0.7
183.11685	2.4
185.13284	1.6
189.07436	0.7
195.06573	0.7
197.13194	2.8
199.14938	0.8
201.07558	0.6
209.13237	0.5
211.14670	2.4
213.07607	1.3
213.16344	0.6
221.08131	0.4
223.14890	0.6
224.15654	0.9
225.16397	1.3
231.08505	0.4
237.07539	0.8
237.16313	0.5
238.17302	1.0
239.09093	6.7
251.17928	2.9
253.19473	50.0
254.19890	0.7
255.08578	2.7
255.21149	1.5
257.10153	3.3
269.18903	1.0
271.20526	16.9
271.23471	0.8
273.09698	2.3
275.11194	3.9
291.10867	0.7
293.12234	4.3
309.11761	2.4
381.24524	0.8
393.27820	1.3
399.25342	1.6
411.28961	2.8
417.26352	0.9
429.29968	2.0
433.25995	1.5
457.27173	0.4
579.31335	1.5
678.80792	0.4
725.37280	4.2
767.82458	0.5
865.45349	0.8
883.46692	17.7
884.47455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.0
67.05493	15.8
67.89782	0.6
69.03416	9.7
69.07055	3.5
69.36758	4.9
69.37183	1.5
70.06573	3.9
71.01334	1.4
71.04979	68.0
72.05325	0.6
72.08138	1.5
73.02913	3.6
74.07304	0.5
75.04472	4.2
79.05468	6.8
81.03406	2.6
81.07043	28.7
83.04967	21.0
83.08613	1.2
85.02890	100.0
85.06524	14.7
86.03261	0.6
86.09692	3.5
87.04441	3.3
91.05465	7.9
93.07027	9.3
95.04950	17.7
95.08589	11.6
97.02853	4.2
97.06523	2.9
99.04420	4.8
99.08089	0.7
101.05994	2.4
103.05470	1.0
105.07003	11.3
107.04954	1.3
107.08571	6.4
108.08902	0.6
109.02859	30.1
109.06487	4.0
109.10133	13.1
110.07150	2.5
111.04419	13.0
111.08086	1.2
113.06004	2.3
113.09641	0.7
115.05449	1.1
115.07548	1.2
117.05524	1.7
117.06992	2.9
119.08569	7.8
120.08092	6.2
121.06497	4.4
121.10127	4.8
123.04412	42.5
123.08037	7.4
123.11704	3.6
124.05218	1.3
125.05980	3.5
125.09611	9.2
127.03911	3.8
128.06210	1.4
129.05457	32.8
129.06860	3.0
130.07817	0.9
131.08549	7.1
133.10121	7.2
135.08057	2.0
135.11702	1.7
137.05933	2.9
137.09589	6.5
139.03885	1.1
139.11156	3.0
141.07076	1.1
141.09082	10.2
142.07776	2.1
143.08539	6.0
145.04967	2.0
145.10110	8.4
147.06523	10.0
147.07941	4.6
147.11655	3.7
149.09619	2.4
149.13232	0.7
151.11154	6.7
153.05438	3.0
153.09041	1.5
155.08540	2.4
156.09367	0.8
157.04977	1.1
157.10094	13.2
159.06555	0.7
159.11650	5.0
161.09570	3.0
161.13272	1.5
163.06000	2.4
163.11177	1.9
165.09088	54.9
166.09464	0.8
167.06985	0.8
167.10645	5.2
169.10130	3.2
169.12245	1.4
171.06529	2.0
171.11676	7.6
173.13158	1.4
175.11282	0.8
177.12791	0.8
179.10645	39.1
181.10027	1.5
181.12236	2.9
183.10147	2.7
183.11696	2.6
185.13214	3.1
187.11218	0.7
187.14732	0.8
189.12801	0.8
193.10207	1.0
193.12286	0.7
195.06502	0.9
195.11720	1.6
196.12485	1.1
197.13234	1.1
199.11044	0.8
199.14767	1.0
201.07570	1.6
201.12825	0.9
207.11751	1.1
208.12360	0.8
209.13237	1.8
211.14777	6.3
213.07495	1.3
213.16351	24.7
219.11572	0.6
221.13333	1.0
223.14894	0.8
225.16408	2.3
227.17950	2.5
229.15800	3.8
231.13857	0.8
231.17459	2.7
235.14926	0.9
237.16396	0.9
239.09070	4.2
239.17744	0.7
247.14769	1.0
249.16379	2.7
251.17874	4.4
253.19504	1.7
255.08600	1.5
255.17493	1.8
257.10226	1.8
267.17474	2.1
269.18945	1.1
271.20386	1.3
273.09497	1.2
273.18616	0.6
275.11249	3.1
279.21042	2.4
290.16257	0.7
293.12317	2.2
293.35254	0.7
295.20621	1.7
297.22141	2.1
309.11795	1.2
309.22202	0.8
315.23203	2.0
375.26743	8.0
377.42505	0.6
383.29413	0.8
393.27811	25.5
393.32974	1.3
411.28867	41.3
412.29239	1.6
429.24017	1.4
429.29929	24.8
557.35132	0.8
573.34192	9.5
591.35266	6.4
680.78839	0.7
719.39856	6.1
737.40503	2.4
785.43402	1.6
837.46027	1.0
865.45654	25.1
866.46130	1.2
883.44983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.7
67.05495	15.9
69.03417	9.8
69.07064	2.9
71.01343	1.5
71.04982	65.3
71.70336	0.6
73.02567	0.5
73.02905	3.5
75.04466	5.4
79.05477	4.7
81.03395	1.5
81.07043	25.2
83.04970	22.1
83.05478	0.8
83.08617	1.2
85.02893	100.0
85.06532	13.7
86.06082	0.9
86.09708	0.7
87.04437	3.2
91.05463	7.5
93.07027	9.3
93.07580	0.7
95.04956	16.4
95.08592	10.4
97.02865	3.3
97.06506	2.6
99.04447	5.7
99.08075	0.9
101.02402	0.6
101.06008	1.6
103.03934	0.8
104.20634	0.6
105.07010	9.1
107.04964	0.9
107.08582	5.9
109.02862	30.5
109.06502	3.5
109.10141	11.0
109.87148	0.5
111.04429	13.2
111.05157	1.1
111.08055	1.4
113.06004	1.6
113.09682	1.0
115.05434	0.9
115.07573	1.6
117.05473	2.2
117.07003	2.4
119.08562	6.1
121.06499	4.5
121.10133	4.0
123.04414	39.3
123.08048	5.9
123.11682	3.9
124.05196	2.4
125.05972	3.3
125.09599	6.6
127.03884	3.4
128.06189	1.2
129.05461	31.1
129.06880	3.5
131.08543	7.4
133.06483	0.7
133.10115	7.6
135.04425	0.6
135.08069	1.5
135.11688	1.7
137.05962	3.6
137.09601	6.8
139.03856	0.9
139.11157	3.5
141.05510	0.7
141.09084	9.9
142.07794	1.8
143.08551	5.1
144.88779	0.5
145.04976	1.3
145.10089	7.5
147.06523	10.7
147.08018	3.7
147.11690	4.1
147.94289	0.5
149.09607	2.4
151.03886	0.8
151.07559	0.9
151.11159	5.8
153.05489	3.1
153.09077	1.0
155.08571	2.8
157.04991	1.5
157.10112	12.8
159.06631	0.8
159.08047	0.8
159.11641	3.7
161.09619	2.3
161.13246	1.9
163.03893	0.9
163.06029	2.3
163.11197	1.1
165.09091	55.5
167.06985	0.6
167.08499	0.7
167.10674	6.4
169.10117	2.1
171.06557	1.5
171.11670	5.9
173.13290	1.6
175.11139	1.2
179.10648	39.6
180.11061	0.7
181.10098	0.9
181.12230	2.2
182.10878	0.9
183.10182	2.3
183.11748	2.3
185.09602	0.6
185.13200	3.3
187.14825	1.2
190.55069	0.6
193.04904	0.5
193.08543	0.6
195.11765	1.8
196.12506	1.2
197.13254	1.9
199.14772	1.3
201.07712	1.0
201.12943	0.6
207.11618	0.9
209.13222	1.7
211.14804	7.1
212.09285	0.5
213.07594	1.9
213.16357	27.7
213.23860	0.5
213.65260	0.5
223.14761	1.1
225.16422	1.5
227.17987	1.9
229.15883	3.8
231.08578	0.6
231.17368	2.9
234.28818	0.6
235.14822	1.1
237.16373	2.0
239.09077	5.9
239.18002	0.6
249.16399	3.5
251.17798	4.3
253.19521	2.4
255.08801	1.2
255.17468	1.8
257.10153	1.9
267.17392	2.8
269.18979	1.7
271.20514	0.7
273.09689	1.2
275.11218	3.1
277.19492	0.6
279.21085	3.1
293.12338	2.2
295.20554	1.1
297.21948	2.6
309.11829	1.5
309.22192	1.4
311.14587	0.9
315.23346	2.8
317.21844	0.6
355.26535	1.1
375.26782	9.4
393.27820	28.3
394.28308	0.9
411.28894	42.6
412.29388	1.0
429.29941	24.5
555.33276	0.7
573.34167	11.4
591.35309	8.2
719.40045	8.0
737.40906	2.1
847.44446	1.6
865.45685	24.7
866.44800	0.9
883.46362	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.7
67.05490	6.3
68.38544	0.3
69.03416	15.9
69.07053	26.7
70.06586	0.5
71.01345	1.2
71.04977	46.4
71.68192	0.5
72.05303	0.5
73.02900	4.8
73.06541	4.7
75.04462	5.1
79.05477	4.3
79.88226	0.4
81.03407	5.7
81.07040	8.8
83.01343	0.5
83.04963	7.4
83.08610	0.7
85.02887	100.0
85.06532	0.3
86.03236	0.7
86.06069	0.5
87.04454	3.3
91.03933	1.0
91.05458	4.9
93.07027	5.8
95.04961	2.3
95.08586	4.7
97.02873	12.6
97.06506	8.0
97.10164	0.3
99.04434	4.7
99.08067	0.6
101.02367	0.4
101.06016	0.8
103.03931	1.4
103.05436	0.3
105.07008	7.2
105.07713	0.5
107.04973	1.4
107.08572	5.8
109.02861	4.1
109.06495	15.2
109.10130	8.7
111.04431	6.0
113.05984	0.4
115.03944	0.4
115.07547	14.5
117.05471	2.1
117.06967	2.8
119.08553	4.2
119.51084	0.3
121.06489	0.8
121.10114	7.5
123.04420	0.7
123.08017	0.5
123.11709	1.5
125.05941	0.4
125.09606	0.6
127.03893	8.6
127.11169	1.6
128.06195	1.0
129.05453	32.9
129.06874	3.4
130.07700	0.3
131.08537	6.1
133.06419	0.3
133.10101	9.1
135.04448	0.3
135.11650	2.4
137.05923	0.8
139.03856	0.6
141.07021	0.8
142.07773	3.3
143.08527	5.0
143.09621	0.4
144.09387	0.5
145.04936	6.5
145.10104	7.9
145.12231	0.8
147.06496	17.7
147.11658	13.5
147.12845	0.5
148.06853	0.3
149.09567	0.9
149.13234	3.1
151.03860	0.5
151.07538	0.4
151.11171	0.4
155.08534	1.6
156.09290	0.4
157.10098	23.5
158.10458	0.5
159.06483	0.5
159.11652	10.3
161.13214	2.8
163.05986	3.9
163.11134	0.9
163.14841	0.3
165.07541	0.8
165.08990	0.5
167.10645	10.0
167.12019	0.6
168.09363	0.3
169.04938	0.7
169.10069	1.8
171.06506	0.8
171.11664	6.0
171.13058	0.5
173.13223	3.8
175.05986	0.4
175.11139	0.8
175.14824	0.8
181.10049	0.5
181.12225	0.5
182.10968	0.5
183.11656	2.1
185.13246	2.1
187.06004	0.3
187.14819	1.3
189.07385	0.4
195.11650	0.5
196.12451	0.3
197.11580	0.5
197.13219	4.2
197.14926	0.4
198.13998	0.4
199.06006	0.4
199.14864	1.3
201.16348	0.5
209.11531	0.4
209.13263	0.8
210.14000	0.3
211.14787	3.1
212.15530	0.5
213.07500	0.5
213.16341	0.9
223.14854	0.4
224.15578	0.8
225.07526	0.5
225.16331	2.0
227.17920	0.5
229.07030	0.4
229.19356	0.5
231.08528	0.7
237.07518	0.6
238.17119	0.5
251.18036	1.3
253.19466	55.2
254.19696	1.8
255.08629	2.0
255.21030	4.0
262.75998	0.3
265.19681	0.4
269.13779	0.7
269.18762	0.6
271.20517	24.6
272.20886	0.7
273.09641	2.2
281.22549	0.3
283.24109	4.5
291.10690	1.0
309.11819	2.0
313.21402	0.5
361.28970	0.3
379.29901	3.0
397.30884	6.2
399.25073	0.7
400.74475	0.3
415.32001	6.9
417.26172	0.5
433.25787	2.6
577.37323	2.4
579.31519	10.9
580.31787	0.7
705.41144	0.4
723.43005	19.8
724.43396	1.5
849.45728	0.6
885.48114	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	885.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.4
67.05491	6.2
69.03415	12.8
69.07054	27.5
70.06590	0.5
71.01350	1.2
71.04978	48.2
71.67964	0.3
71.68352	0.3
72.05321	0.5
73.02901	3.5
73.06544	3.5
75.04462	4.5
79.05479	4.1
81.03403	7.0
81.07042	7.7
83.04967	6.4
83.05418	0.6
83.08593	0.6
85.02888	100.0
85.06522	0.8
86.03255	0.8
87.04454	3.0
91.03925	0.8
91.05463	5.5
91.06034	0.4
93.07021	6.1
95.04942	2.3
95.08594	3.6
97.02869	11.6
97.05879	0.5
97.06511	7.4
97.10131	0.5
99.04440	3.5
99.08060	0.4
101.02371	0.4
101.06017	0.7
103.03938	1.1
104.72105	0.3
105.04494	0.3
105.07011	7.0
107.04951	1.0
107.08570	6.9
109.02854	4.4
109.06496	16.4
109.10136	8.8
109.10875	0.6
111.04420	4.9
113.06001	0.4
115.03909	0.5
115.05444	0.4
115.07547	14.8
117.05494	1.1
117.06976	2.1
119.08549	4.3
121.06499	0.4
121.10123	7.8
121.10980	0.5
123.04467	0.4
123.11684	1.8
125.09614	1.4
127.03887	8.7
127.11179	1.2
128.06187	0.8
129.05453	32.3
129.06854	2.9
131.08545	6.3
133.10094	10.0
135.04448	0.3
135.11684	2.7
137.06036	0.3
139.03883	0.6
141.06970	0.9
142.07755	3.4
143.08525	5.1
144.09293	0.5
145.04936	6.2
145.10095	7.5
145.12215	0.9
147.06491	16.4
147.11655	12.4
147.12845	0.3
148.11980	0.4
149.09607	0.8
149.13226	3.4
151.11162	0.9
155.08513	1.8
157.10100	22.1
159.11665	11.0
159.12953	0.6
161.13193	2.9
163.06007	2.7
163.11145	0.6
165.07564	0.7
167.10658	10.1
169.04953	0.4
169.10027	1.9
171.06590	0.5
171.11646	5.0
173.13237	3.5
175.11113	0.5
175.14719	0.7
181.10049	0.4
181.12195	0.4
182.10844	0.4
183.11681	2.6
185.13199	1.7
187.14848	0.6
189.07597	0.4
195.11681	0.5
196.12294	0.4
197.11552	0.5
197.13214	4.0
199.14789	1.1
201.16364	0.7
209.11555	0.7
209.13309	0.6
211.14795	3.0
213.07640	0.3
213.16429	1.1
215.18013	0.3
217.07057	0.4
223.14825	0.6
224.15492	0.8
225.16327	1.4
229.19498	0.4
231.08589	0.6
237.07539	0.6
237.16814	0.3
238.17139	0.5
251.12692	0.4
251.17889	1.8
253.19476	52.9
254.19812	2.1
255.08537	2.5
255.21092	4.4
255.27269	0.4
265.19543	0.7
269.13837	0.7
269.18857	0.7
271.20514	26.6
272.20844	0.8
273.09601	1.9
283.24127	4.6
291.10721	1.0
309.11813	1.9
313.21423	0.6
321.02499	0.3
379.29874	2.9
395.29248	0.3
397.30930	5.8
399.25143	0.5
415.31973	7.1
416.32788	0.4
417.26413	0.6
433.25797	2.6
567.17590	0.3
577.37207	2.4
579.31586	12.9
580.31946	0.6
703.40955	0.6
705.41711	0.6
723.42963	22.3
724.42676	1.4
849.44519	0.5
885.48004	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	886.551
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.4
67.05495	74.0
69.03423	11.5
69.07054	35.3
71.04992	12.8
71.70551	2.8
79.05479	48.0
81.03417	11.7
81.03815	2.0
81.07042	61.6
83.04971	7.9
83.08603	19.6
85.02895	5.1
85.06547	2.8
91.05467	41.0
93.07028	41.2
94.07421	1.9
95.04943	13.0
95.08588	28.0
97.02896	11.6
97.06512	15.7
97.10153	17.5
105.07011	29.5
107.04935	13.4
107.08582	29.3
109.02868	2.5
109.06500	7.5
109.10136	38.7
111.04420	3.0
111.08092	6.1
115.05451	3.1
117.06999	16.1
119.08572	25.5
121.06497	4.6
121.10120	14.9
123.04453	4.3
123.08034	6.1
125.09622	13.9
129.06956	7.7
131.08531	20.3
133.06462	4.4
133.10123	16.9
135.08037	8.2
135.11676	7.6
137.09602	4.8
141.06944	3.4
143.08562	7.9
145.10115	15.4
147.08058	7.7
147.11661	6.4
149.09564	7.8
149.13234	9.0
151.11137	5.0
155.08607	3.0
157.10094	6.9
159.08081	2.4
159.11633	14.0
161.09602	5.5
161.13159	2.6
163.11147	4.9
165.09038	3.5
169.10097	3.0
171.11612	4.2
173.11693	7.7
173.13159	4.6
175.11145	2.9
177.12759	3.7
184.07397	4.7
187.11072	2.4
189.11160	7.1
193.12267	2.1
197.13210	2.5
205.11995	2.2
217.53777	2.4
223.13251	22.8
227.12729	12.7
229.14273	17.4
239.18109	2.6
249.14886	3.4
253.14326	4.4
257.18982	6.6
267.15964	3.6
269.17383	4.7
273.18478	15.2
275.19971	23.5
291.19492	100.0
292.19861	4.0
347.22269	3.5
349.23755	15.7
365.23203	39.3
413.21719	4.6
439.26996	5.1
461.28909	3.1
519.33075	48.7
520.33197	2.9
541.35162	13.1
559.36200	94.1
560.36401	3.7
573.37445	3.1
621.41168	5.7
635.27563	2.5
639.42834	25.2
671.44666	7.1
685.38928	2.8
703.40558	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	886.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.2
67.05495	72.3
69.03418	14.8
69.07059	39.6
71.04980	11.1
71.69032	3.6
77.03914	2.4
79.05479	50.1
81.02255	1.8
81.03400	14.2
81.07040	59.2
83.04970	7.6
83.08617	15.8
83.38093	1.9
85.02889	4.7
85.06524	5.3
86.09708	2.4
91.05467	42.5
93.07027	46.4
94.04150	1.8
94.07363	2.0
95.04942	12.9
95.08583	20.8
97.02892	14.3
97.06525	14.2
97.10152	17.1
105.07017	32.5
107.04923	15.4
107.08577	30.3
109.06511	6.1
109.10137	29.6
110.28215	1.8
111.08079	6.8
117.06994	17.1
119.08561	26.2
120.08868	2.1
121.06493	7.8
121.10135	17.6
123.04452	3.4
123.08049	5.5
123.11646	3.4
125.09621	15.0
128.06206	2.3
129.06984	6.6
131.04935	2.2
131.08551	19.9
133.06471	3.7
133.10129	18.8
135.08040	11.0
135.11679	7.0
137.09563	4.0
142.07738	3.0
143.08559	6.9
145.06416	2.7
145.10080	13.0
147.08026	6.7
147.11653	10.6
149.09584	8.1
149.13257	8.9
151.11212	3.6
153.09116	2.0
154.76535	1.9
155.08543	4.3
157.10120	6.2
159.11642	10.8
161.09625	2.2
161.13225	2.0
163.11191	7.3
166.27144	1.7
169.10106	3.0
171.11676	5.0
173.09669	3.6
173.11694	5.3
173.13239	4.8
175.11197	4.0
177.12741	4.6
183.11710	3.3
184.07213	3.7
189.11194	6.0
189.12711	3.2
195.13551	1.9
196.09590	2.1
197.13179	3.7
205.12207	2.9
223.13188	15.2
227.12776	13.5
229.14392	9.7
249.14964	3.5
257.19012	7.1
267.15829	3.1
269.17426	3.7
273.18466	13.3
275.19986	21.0
291.19501	100.0
292.19913	3.1
331.22552	2.4
347.21930	2.8
349.23825	11.1
365.23151	35.6
365.27701	2.0
378.27512	2.1
413.21747	5.7
439.26944	2.7
519.33087	26.0
541.35303	10.8
559.36194	92.6
560.36279	5.6
639.42267	21.9
671.44464	6.7
703.39899	8.9
796.46765	2.2
863.49634	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	888.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	2.4
67.05494	51.6
67.92703	0.6
69.03407	2.9
69.07056	13.5
69.89820	3.0
71.04975	2.8
73.02898	3.0
77.03951	0.9
79.05480	33.0
80.80623	0.6
81.03397	3.0
81.03831	0.8
81.07041	66.3
83.04972	3.2
83.08603	10.8
85.02889	11.7
85.06522	2.8
91.03944	8.7
91.05462	20.7
91.06037	1.0
93.07028	45.0
95.04935	3.9
95.08590	30.3
97.02878	5.4
97.06532	5.2
97.10157	2.1
98.21430	1.1
99.04430	1.3
99.08084	0.8
105.04512	1.2
105.07018	10.0
107.08576	24.9
109.02885	1.6
109.06496	2.1
109.10131	12.8
111.08065	2.9
117.06993	6.5
119.08566	8.4
121.06462	0.9
121.10123	18.2
123.08066	1.3
123.11707	5.9
125.09659	1.2
127.03917	3.2
129.07021	0.6
131.08548	10.0
133.10109	12.4
135.08066	1.9
135.11667	10.6
139.11185	0.7
143.08595	1.2
145.04971	3.5
145.10135	6.8
147.11662	4.7
149.09601	1.1
149.13228	12.2
151.11160	1.3
157.10143	1.3
159.11652	7.4
161.13251	3.9
163.06003	2.1
163.11115	1.1
163.14857	2.0
171.11604	1.2
173.13254	2.5
175.14796	1.8
177.12778	2.8
185.13235	1.8
187.14793	1.6
195.13751	6.8
201.16312	0.7
213.14799	1.6
219.17343	0.7
229.14325	1.1
243.21059	2.7
254.61852	0.7
259.20438	0.8
261.22141	6.7
267.15854	1.0
269.17438	45.7
286.48547	0.7
305.19946	0.7
317.24988	1.5
335.25739	78.6
336.26202	2.4
359.14478	0.8
413.21909	0.8
437.34113	2.0
455.34808	1.2
511.37598	0.9
529.38794	100.0
530.39294	4.6
547.39771	2.4
769.41925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.6
67.05491	42.0
69.03403	1.7
69.06689	0.7
69.07056	12.9
70.30075	1.7
71.04970	2.0
71.08609	0.6
73.02910	2.7
77.03895	0.5
79.05475	28.6
81.03393	1.5
81.07038	47.1
82.07348	0.6
83.04972	3.1
83.08160	0.7
83.08607	7.8
85.02878	6.9
85.06512	1.8
91.03935	4.3
91.05458	15.3
91.08006	0.4
93.07024	38.0
94.07349	0.7
95.04940	4.2
95.08587	22.4
97.02865	4.2
97.06510	4.0
97.10141	1.8
99.04406	0.5
99.08071	1.3
100.50052	0.4
101.02314	0.8
105.07008	8.5
107.04955	0.6
107.08567	22.6
109.06474	1.7
109.10136	8.6
111.08060	2.8
111.34564	0.4
113.09601	0.6
117.06985	5.3
119.08558	6.2
121.06529	0.7
121.10116	15.4
123.08023	1.2
123.11679	2.7
123.30779	0.5
127.03887	1.5
131.08536	6.8
133.10098	7.1
135.08006	0.8
135.11662	7.6
139.11162	0.8
145.04924	1.1
145.10132	2.9
147.11642	3.9
149.09630	0.6
149.13226	16.2
151.11116	0.5
157.10139	0.6
159.11653	8.0
161.13239	2.3
163.06032	1.5
163.14833	1.3
173.13208	2.1
175.14841	0.8
177.12683	2.3
187.14734	0.6
195.13774	4.8
243.21069	1.8
261.22070	7.8
261.24689	0.6
267.15845	1.7
269.17422	42.9
270.17932	1.4
296.63544	0.5
316.11703	0.5
317.24625	2.0
317.58420	0.5
329.82062	0.6
333.24109	0.5
335.25723	44.0
336.26126	2.1
357.77695	0.5
358.97183	0.5
405.13458	0.6
406.14423	0.5
437.33997	1.5
455.35117	0.8
469.20154	0.5
511.37585	0.6
529.38776	100.0
530.39014	5.2
547.39746	2.4
618.67346	0.4
632.26160	0.4
746.19928	0.5
888.49854	13.6
889.50018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	5.4
67.05493	98.6
68.82349	2.7
69.03407	6.9
69.06731	3.8
69.07057	37.4
71.04981	18.1
71.69753	4.4
79.05481	67.7
81.03414	13.3
81.07041	100.0
83.04956	11.6
83.08601	17.6
84.04470	6.0
85.02877	6.2
85.06501	6.2
91.04926	4.4
91.05463	60.7
93.07024	76.8
95.04948	17.6
95.08589	40.4
97.02854	7.1
97.06511	20.3
97.10148	18.0
99.04423	2.5
99.08082	4.6
105.07016	54.8
107.04929	8.8
107.08572	44.4
109.06459	9.7
109.10129	32.3
111.08062	8.7
116.56438	2.8
117.07021	24.3
119.08553	38.1
121.06451	5.3
121.10125	23.4
123.08031	6.2
123.11699	5.3
125.09615	12.6
127.03922	4.2
128.06180	5.5
129.07002	14.0
130.07759	3.1
131.08542	34.3
133.06410	4.6
133.10094	29.2
135.07990	6.4
135.11670	15.5
137.09566	5.5
141.06946	5.6
143.08514	9.9
145.10130	23.3
147.11671	19.8
149.09619	16.6
149.13263	16.2
151.11154	6.6
155.08521	8.1
156.09207	3.9
157.10097	13.1
159.07938	3.6
159.11658	22.6
161.09576	4.9
161.13249	4.6
163.11180	7.7
169.10083	8.2
171.11633	9.0
173.11769	5.3
173.13194	6.9
175.11078	4.0
177.12712	5.9
179.14368	3.0
181.10126	4.5
183.11668	6.6
185.13219	5.9
187.14905	3.3
189.11079	3.4
191.29556	2.8
193.12141	3.5
195.11638	4.2
195.13744	5.2
197.13199	7.8
211.98038	2.9
227.12660	14.3
229.14253	21.6
251.16264	2.8
255.15869	3.4
257.18896	13.6
262.18851	2.9
267.15833	5.3
269.17523	27.7
273.18454	3.5
275.19965	40.3
293.20987	6.0
298.88358	3.0
316.38766	3.1
331.22739	6.0
349.23682	42.3
361.28729	2.9
380.29913	2.9
409.25763	6.0
413.21240	3.8
423.27271	29.3
431.27768	2.8
439.26929	2.9
445.29532	6.9
449.28833	14.9
463.30594	24.9
503.33572	16.3
515.36908	5.5
519.32867	4.4
525.35455	13.4
529.35303	4.8
543.36682	66.3
543.44604	2.7
561.37311	8.8
575.39026	4.0
607.34460	12.6
608.35919	2.9
623.42639	12.1
641.43799	4.1
687.40564	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	888.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.2
65.65229	1.5
67.05495	100.0
69.03417	8.9
69.07063	43.1
70.89261	4.1
71.04973	17.5
75.45348	1.4
77.10194	1.4
79.05017	3.3
79.05485	75.6
81.03414	18.1
81.07047	88.5
83.04974	13.7
83.08607	20.9
85.02882	6.5
85.06535	5.6
87.04452	1.5
87.32838	1.7
91.03937	1.8
91.05469	67.0
91.39890	1.6
93.07034	76.1
95.04952	16.8
95.07997	3.1
95.08594	45.1
97.02885	6.6
97.06516	25.3
97.10149	18.4
99.04427	2.1
99.08086	4.9
105.04531	2.2
105.07018	56.7
107.04942	14.7
107.08584	56.7
109.02886	2.7
109.06509	10.8
109.09406	2.2
109.10142	36.2
111.04386	2.2
111.08080	11.4
113.09641	3.1
113.73756	1.4
115.05415	5.5
115.07500	1.7
117.07005	29.2
119.04920	2.4
119.08566	42.7
120.08928	1.5
121.06487	7.3
121.10132	26.1
123.04435	2.3
123.06326	1.5
123.08045	7.0
123.11696	6.2
125.09612	17.4
127.03903	3.2
128.06155	2.3
129.05464	2.1
129.06984	15.0
131.08549	36.9
131.09459	3.0
133.06493	3.9
133.10118	34.2
135.08014	8.5
135.11688	16.8
137.09598	4.9
137.15446	1.6
139.03882	1.6
141.06982	4.4
142.07814	1.8
143.08563	10.8
144.09332	1.6
145.06445	4.6
145.10100	25.0
147.08029	5.1
147.11661	20.0
149.09593	18.6
149.13263	11.5
151.03903	1.8
151.07581	1.6
151.11176	5.2
153.09058	2.1
155.08548	9.3
157.06429	1.9
157.10089	12.7
159.08018	3.6
159.11676	22.1
161.09567	2.4
161.13260	6.2
163.11148	11.0
165.12811	2.1
167.08508	2.4
167.10672	2.2
169.10078	7.9
171.10385	1.8
171.11684	8.7
173.04457	4.3
173.09525	3.2
173.11729	5.0
173.13255	7.9
175.11179	3.6
175.14883	1.5
177.12756	5.6
179.08566	1.6
179.14328	3.4
181.10110	4.3
181.12283	1.9
182.10916	1.4
183.11650	8.8
185.13260	4.8
187.11197	3.8
187.14812	4.6
189.11200	8.4
189.12714	2.8
193.12082	2.0
195.11774	3.3
195.13797	6.4
197.13351	3.3
199.14810	3.6
201.12775	2.8
207.11786	2.1
209.13284	3.2
211.14790	2.5
215.17987	1.8
217.15967	2.1
221.13387	2.1
221.15454	2.9
227.12688	13.9
229.14261	18.6
229.19353	2.4
233.13049	1.5
237.16281	1.9
239.18016	2.9
245.13638	2.2
247.20500	2.3
255.15872	4.3
257.19052	11.1
261.07214	1.6
267.15866	2.3
269.17447	17.0
273.18579	2.7
275.17123	3.5
275.20038	45.9
291.19614	2.9
293.21063	4.5
301.21198	1.8
331.22650	4.3
339.23431	1.7
349.23691	38.5
365.23486	2.0
367.24527	1.8
381.26004	2.0
409.25726	2.8
413.21747	2.3
423.27258	16.1
428.11111	1.8
431.27924	5.7
433.31000	3.3
445.29324	6.7
449.28979	10.8
451.31702	3.7
463.30444	16.7
469.33325	2.6
493.94400	1.9
503.33582	16.8
515.37360	2.3
521.34711	2.7
524.43353	1.8
525.35846	10.5
529.35388	7.5
543.36761	63.1
544.36896	2.5
557.38202	3.5
561.38043	8.6
575.39288	5.4
583.39996	1.9
593.32935	1.7
605.41754	3.0
607.34357	8.3
623.42926	15.1
641.43732	6.8
655.45416	4.0
687.40771	6.2
705.41858	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	890.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19652	2.2
67.05142	2.8
67.05492	52.0
69.07050	17.2
70.11147	5.2
70.11563	9.1
71.04974	4.9
79.05473	29.9
81.07042	71.3
83.04921	4.4
83.08595	8.4
84.47301	2.8
85.02879	8.4
85.06512	4.6
91.03916	3.8
91.05470	23.7
93.07030	40.0
95.08583	71.9
97.02848	2.5
97.06483	6.6
97.10122	3.5
99.08067	3.2
105.07018	25.2
106.39756	2.8
107.08578	17.7
109.10126	20.7
111.08081	3.1
116.16866	2.6
117.07027	3.8
119.08554	21.1
121.10116	19.5
122.88361	2.8
123.08009	2.9
123.11664	5.1
131.08537	8.4
133.10118	14.2
135.11655	12.3
145.10130	5.2
147.11609	4.0
149.13237	7.3
159.11668	5.8
161.13205	21.6
173.13220	3.6
173.54944	2.6
179.14265	17.0
184.07266	7.4
194.76514	3.0
253.17992	17.9
261.22156	15.2
271.18979	35.2
335.25745	100.0
336.26129	5.0
353.26721	4.7
394.27457	3.2
457.36691	4.7
502.63965	3.5
513.39209	7.2
531.32819	4.2
531.40405	63.3
890.56537	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	893.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68914	0.4
65.03921	0.6
67.05489	6.8
68.99777	1.1
69.03416	58.1
69.07053	1.4
70.03748	0.8
70.87280	0.7
70.87627	0.5
71.01337	4.3
71.04979	9.2
73.02908	1.0
77.03923	0.3
77.85463	0.4
79.05482	4.8
81.03407	5.2
81.07040	6.8
83.04967	18.3
83.08598	1.0
85.02891	15.9
85.06528	8.4
87.00813	14.0
87.04434	2.0
91.05460	6.2
93.07031	7.8
95.04928	2.0
95.08583	4.7
97.02884	3.7
97.06491	0.3
99.04442	2.8
101.06004	1.3
103.05457	0.5
105.01847	15.1
105.07009	9.4
107.08576	4.5
109.02858	5.4
109.06495	0.8
109.10134	5.7
111.04422	24.3
115.05430	0.8
116.25360	0.3
117.07004	2.9
119.08560	5.0
121.06482	0.5
121.10123	8.8
123.04437	0.4
123.11663	1.0
125.09615	1.2
127.03887	9.6
127.47121	0.3
128.06227	1.7
128.07051	0.3
129.01801	0.7
129.05457	44.4
129.06847	3.6
130.05748	0.3
130.07758	0.4
131.08548	8.1
133.10103	8.9
135.11694	2.0
137.05963	0.3
139.03899	0.6
141.06961	1.5
141.09065	2.1
142.07764	3.6
143.08543	9.4
143.10622	0.8
144.09341	0.4
145.04916	3.4
145.10094	9.2
147.11658	16.1
148.12022	0.4
149.09579	0.4
149.13232	1.0
152.05666	0.5
153.05443	0.3
155.08524	3.0
156.09283	0.5
157.10100	21.3
158.10497	0.6
159.02846	1.4
159.11670	12.8
161.13222	2.0
163.11171	0.5
167.08493	0.4
168.09309	0.6
169.10088	2.3
171.06549	0.5
171.11658	8.0
173.04404	0.5
173.13232	3.3
175.14748	0.5
181.10071	0.8
182.10898	0.7
183.11658	4.1
185.13199	2.7
187.14754	0.4
189.03983	0.5
195.11636	0.8
196.12418	0.8
197.13214	5.0
198.14073	0.4
199.14732	1.1
209.13229	1.3
211.14780	3.9
212.15598	0.5
213.03908	2.2
215.05426	2.2
221.13223	0.4
223.14801	1.3
224.15555	1.2
225.16306	2.1
231.02834	0.5
231.04953	4.4
233.06526	15.1
237.07457	0.7
237.16208	0.5
238.17094	1.5
239.18034	0.4
249.06035	0.8
249.16335	0.5
250.33099	0.3
251.17929	5.7
252.18394	0.4
253.19469	100.0
254.19763	3.5
255.21033	2.9
265.19507	1.1
269.18973	1.4
271.20499	6.9
281.22681	1.5
284.52386	0.4
295.20499	0.7
313.21436	0.5
323.07507	0.7
341.08554	1.0
345.22055	0.9
359.09238	0.4
359.27231	0.4
363.23230	0.7
377.28247	1.5
381.24277	0.4
395.29352	4.2
413.30280	0.4
427.08585	0.4
445.09509	1.1
446.71280	0.3
463.10703	0.6
467.24060	0.8
485.25146	4.0
501.24463	1.0
517.24261	0.6
519.25848	2.2
627.34717	0.5
733.30316	0.4
751.31409	1.8
893.42468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.3
67.05493	14.5
68.99775	1.3
69.03418	78.9
69.07063	2.2
69.79940	3.3
70.03729	0.5
71.01344	5.7
71.04982	13.8
72.18499	0.4
73.02889	0.8
77.03969	0.6
79.05483	5.8
81.03412	5.7
81.07038	9.3
83.04966	22.9
83.08622	1.0
85.02889	19.5
85.06529	3.1
87.00814	17.2
87.04444	2.0
91.05462	8.7
93.07031	9.4
95.04952	8.4
95.08588	4.7
97.02876	3.6
99.04432	3.3
101.06001	2.0
105.01851	16.8
105.07013	12.2
107.08575	8.2
109.02852	5.9
109.06497	1.0
109.10144	7.7
111.04425	31.8
111.08086	0.6
113.05992	7.0
115.05473	1.0
117.06989	3.0
119.08563	6.6
121.10124	12.1
121.10967	0.7
123.08105	0.5
123.11682	1.6
125.05962	0.6
125.09602	0.4
127.03896	10.8
127.11136	0.4
128.06224	2.0
129.01790	1.3
129.05458	65.0
129.06856	5.5
130.05782	0.9
130.07750	0.9
131.08539	9.2
133.10107	10.7
135.08067	0.5
135.11682	3.1
136.06194	0.7
136.56081	0.6
141.07001	1.8
142.07751	5.0
143.08534	9.6
144.09381	0.6
145.04948	3.5
145.06026	0.5
145.10097	10.3
147.02855	0.7
147.11659	19.8
149.13257	2.8
151.03961	0.7
153.05444	0.5
155.08527	4.3
156.09242	0.6
157.10103	29.3
159.02878	1.4
159.11670	15.5
159.12959	0.9
161.13231	2.9
169.10106	2.9
171.06540	0.5
171.11658	9.7
173.13242	3.5
175.14784	1.0
177.05417	0.7
181.10201	0.5
183.11644	4.7
184.12398	0.7
185.13283	3.2
187.14850	1.1
189.07553	0.7
195.11681	1.1
195.79214	0.5
196.12428	0.7
197.13229	7.0
199.14839	1.5
205.06979	0.6
209.13222	0.9
211.14781	4.6
212.15509	0.6
213.03845	2.2
213.16454	0.8
215.05421	3.4
223.14676	0.9
224.15654	1.0
225.16336	2.4
231.04958	4.5
233.06520	21.5
237.07603	0.7
238.17215	2.0
249.06023	1.5
251.17963	4.5
253.19478	100.0
254.19795	2.6
255.21152	2.4
269.19064	1.0
271.20471	6.9
283.24170	2.3
285.12314	0.6
323.07626	0.7
341.08734	1.9
363.23090	0.7
365.28391	0.7
377.28516	1.2
395.29227	2.6
445.09927	0.6
453.13269	0.6
485.25107	3.1
519.25665	2.3
528.03400	0.5
643.34766	0.8
661.35059	0.7
670.13025	0.6
751.31482	2.2
849.42053	1.6
863.40137	1.2
875.40833	2.9
893.41394	28.9
894.42261	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	899.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36838	0.4
65.03928	1.9
67.05499	7.9
69.03420	6.4
69.07053	1.6
70.95767	1.2
71.01342	1.4
71.04978	71.7
72.05310	0.8
73.02893	3.0
75.04461	5.6
79.05473	8.0
81.03405	1.5
81.07039	23.5
82.11419	0.4
83.04963	15.9
83.07165	0.4
83.08591	0.9
85.02887	100.0
85.06516	1.7
86.03222	0.8
87.04465	3.0
91.05463	8.9
93.07014	6.5
95.04948	14.5
95.08589	7.2
97.02875	3.5
97.06495	2.4
97.53271	0.4
99.04449	3.6
101.06007	1.4
101.74715	0.4
103.03930	0.9
105.07004	10.4
107.04922	1.1
107.08571	10.1
109.02858	2.0
109.06493	19.0
109.10148	3.1
111.04419	12.2
111.08049	0.8
113.05975	1.5
115.05409	2.3
117.05492	1.7
117.06995	5.4
119.04976	0.5
119.08566	4.8
121.06489	5.4
121.10106	3.3
121.60308	0.4
123.04405	14.2
123.08026	3.7
123.11689	0.5
125.05948	1.3
125.09628	0.7
127.03863	3.7
128.06192	1.2
129.05453	36.3
129.06850	2.7
131.07016	0.5
131.08542	9.9
133.06450	0.9
133.10123	5.1
135.04391	0.6
135.08028	15.3
135.09058	0.8
135.11633	0.8
137.05922	1.0
137.09586	2.0
139.03827	0.6
139.07520	0.6
141.05438	0.6
141.06973	0.9
142.07758	2.1
143.08546	5.0
144.09261	0.4
145.04916	1.9
145.06490	1.4
145.10095	6.5
147.06494	12.1
147.07922	1.2
147.11659	3.2
149.06007	0.4
149.09584	4.8
149.13147	0.5
151.07539	0.9
151.11089	0.5
153.05499	2.4
153.09067	1.4
155.08556	3.7
156.09265	0.7
157.04907	0.6
157.10104	15.3
159.06395	0.7
159.08078	2.6
159.11646	4.8
161.09602	1.1
161.13199	1.2
163.06015	3.1
163.07487	21.8
163.11194	0.6
165.09027	2.2
167.08464	0.9
169.10101	3.0
171.06563	2.5
171.07787	0.5
171.11655	8.3
172.12173	0.4
173.09595	0.5
173.13197	1.6
175.11140	1.0
177.07520	0.9
177.09068	14.0
179.08482	0.8
179.10609	3.0
181.08533	4.4
181.10104	1.8
182.10809	0.9
183.06496	0.5
183.10197	0.8
183.11647	3.0
183.13037	0.5
185.13208	2.9
187.11092	0.5
189.07535	0.6
191.10609	0.6
195.10081	1.8
195.11626	2.0
196.12384	1.3
197.13280	2.0
198.14069	0.9
199.11163	0.4
199.14751	1.4
201.07594	0.9
201.12634	0.5
207.11621	1.2
209.13235	2.7
211.11240	0.6
211.14761	11.6
213.07465	0.7
213.16338	35.5
214.16713	1.2
215.17955	0.6
221.13252	1.1
223.14772	1.5
225.12726	0.4
225.16270	1.4
227.14233	0.5
227.17937	2.1
229.15848	4.1
229.19475	0.8
231.08615	0.6
231.17404	4.4
233.13191	1.1
234.13928	0.4
235.14705	2.5
237.07527	0.6
237.16322	2.2
239.09106	4.6
239.17870	1.3
245.13113	0.5
247.14688	0.6
249.16409	2.8
251.17931	3.9
253.19493	1.7
255.08485	1.5
255.17258	1.4
257.10202	2.8
263.17789	0.8
267.17392	2.6
269.18869	1.6
271.20428	0.5
273.09558	1.4
275.11301	3.1
277.19327	0.9
279.20892	1.0
281.22662	0.5
285.18509	0.8
289.19513	0.5
293.12247	3.0
293.19006	0.4
295.20514	1.6
297.22058	0.9
309.11835	1.3
309.22128	0.6
315.23138	0.8
321.22031	0.8
323.19836	1.9
327.22928	0.6
333.21915	1.2
351.22998	0.9
355.23563	0.5
363.26776	1.0
373.25256	3.9
381.27689	0.4
382.76215	0.5
391.26239	28.9
392.26581	0.7
397.27075	1.1
407.25723	0.5
409.27304	38.1
410.27435	1.6
427.28360	21.0
428.28412	0.8
433.26852	0.7
445.29385	4.6
451.28009	0.5
488.35233	0.5
519.30536	0.6
537.31598	0.9
555.32690	1.1
571.32355	3.6
589.33655	3.4
607.34015	1.0
610.20825	0.6
717.38562	2.1
735.38086	1.4
851.43903	0.7
863.43854	10.0
881.44696	7.4
882.45001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	0.5
68.04993	0.4
69.07063	2.5
69.43774	0.2
70.02952	0.7
70.06581	100.0
71.05006	0.4
71.06904	0.5
71.67955	0.3
79.05472	0.2
81.03394	0.3
81.04574	0.2
82.06575	0.4
83.04887	0.2
84.08132	0.3
85.02895	1.0
85.04011	0.3
86.09693	15.1
88.03987	1.7
91.05465	6.8
93.07050	0.4
95.04964	0.5
95.06091	0.3
97.03993	0.4
97.07651	1.1
98.02390	0.3
98.06024	0.7
103.05439	1.1
105.03394	0.6
105.07009	0.5
106.06566	1.2
107.04935	2.2
109.06487	0.3
109.07632	0.4
111.04327	0.6
112.07587	0.7
115.05423	0.3
115.08685	1.0
116.04963	0.4
117.05747	0.7
118.06528	14.7
119.04952	1.6
119.07310	1.0
120.08095	3.8
121.06525	0.3
122.06008	0.4
123.04433	0.6
125.07108	1.5
126.05531	0.5
127.03880	0.3
127.08734	0.3
129.05411	0.2
130.06516	0.9
131.04898	0.5
132.04445	0.3
132.08134	0.3
133.02837	0.3
134.05997	4.8
134.06932	0.4
135.04395	0.3
135.06773	0.7
136.07559	6.5
136.08589	0.5
137.06027	0.4
137.07077	5.6
137.08072	0.4
138.07895	0.5
139.08658	1.6
141.16510	0.2
143.04504	0.6
144.08072	0.6
145.06549	0.3
146.05988	32.6
147.04369	0.4
147.06381	0.5
148.07559	0.6
151.69237	0.3
152.08214	0.9
153.08949	4.5
155.11923	0.3
157.09705	20.8
158.06032	0.4
160.07539	0.5
161.05971	0.4
162.05475	6.7
164.07066	1.0
164.08278	0.3
165.05487	0.6
165.08989	0.5
166.09740	0.3
167.08214	0.9
168.02946	0.3
168.08916	0.7
170.09660	0.7
172.07605	0.4
172.11168	3.2
172.13503	0.2
173.05830	0.4
173.07100	1.0
174.05533	0.8
176.07130	0.3
179.08559	0.5
182.08128	0.9
184.10860	0.4
185.09193	9.6
187.08606	0.6
187.12248	1.7
188.07033	1.2
189.06642	0.9
190.12283	0.4
191.08376	0.4
194.09332	0.3
195.08054	0.5
197.10750	0.4
198.05467	0.4
198.09164	0.3
199.12271	1.1
201.06609	0.3
202.12146	0.3
204.06537	0.3
204.13727	0.3
206.08028	0.5
207.08003	0.6
212.11848	0.4
213.10367	0.4
215.08151	0.6
215.11806	1.0
216.06454	1.3
216.12457	0.4
217.06046	0.4
217.13365	2.1
220.13397	0.5
222.09030	0.3
224.10292	1.4
225.10193	1.0
226.13390	0.6
231.07637	0.6
232.05849	0.4
233.09163	1.5
234.09293	0.5
236.10657	0.5
240.11256	0.4
243.11281	1.2
246.09198	0.4
247.14394	1.5
248.12880	0.8
249.08755	0.6
251.10260	1.4
252.10164	0.3
253.19408	0.3
254.12849	1.1
256.14502	1.0
258.12430	1.7
259.07159	0.8
260.05518	0.5
261.08664	15.8
262.08710	0.5
266.12915	0.5
268.14557	0.4
275.13855	9.1
277.08066	4.0
279.11200	0.3
282.12436	0.7
284.14020	0.8
286.10764	2.8
286.15494	5.1
288.10251	0.3
294.12451	1.0
295.16571	1.1
298.10873	0.3
300.13361	3.6
304.16620	0.9
312.13339	2.2
321.14435	1.6
330.14435	22.1
331.15060	1.0
337.19186	0.4
339.13287	0.3
351.13312	0.4
365.18604	0.3
377.11084	0.3
378.14169	0.3
390.16541	1.8
394.13931	0.6
396.15524	0.5
399.19177	3.0
416.14401	0.6
422.13516	1.3
427.15555	0.3
445.17288	0.7
456.21579	0.5
464.18054	0.5
465.21378	1.0
491.19199	0.6
507.22214	0.8
519.19305	0.3
524.68903	0.3
535.22015	0.8
562.23004	0.7
563.20953	0.3
571.24152	0.4
577.26593	0.4
580.24030	3.4
588.20514	0.5
604.27557	0.7
606.22009	2.1
626.79224	0.3
671.26373	0.3
716.29468	2.6
717.30591	0.3
719.30420	0.8
744.28510	0.4
758.33936	1.1
785.34686	1.7
813.34845	3.4
882.36523	0.8
883.34491	0.5
900.37622	15.6
901.37817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	4.5
67.05493	57.8
68.99770	1.4
69.03415	5.5
69.07056	12.4
69.87551	1.2
71.04993	3.6
71.08620	1.8
71.67736	2.2
73.02920	1.3
76.58991	1.3
79.05481	37.2
81.03406	15.5
81.07047	56.2
83.01302	2.1
83.04973	4.1
83.08602	12.7
85.02900	3.7
85.06517	2.2
85.10159	2.2
91.05463	38.8
93.03395	3.8
93.06433	2.2
93.07029	45.6
95.01321	8.0
95.04960	11.4
95.08590	40.9
97.02870	5.6
97.06509	5.1
97.10157	5.4
103.05453	2.5
105.03442	3.3
105.07016	26.5
107.04944	9.0
107.08582	19.2
109.02857	3.4
109.06507	4.4
109.10139	16.5
111.04465	2.8
111.08037	3.4
115.05453	5.4
117.06993	19.1
119.04949	4.9
119.08559	20.3
121.02841	2.0
121.06504	3.7
121.10117	20.8
123.04409	4.1
123.08045	2.0
123.11717	5.7
125.02335	2.2
125.09637	2.8
127.03919	2.1
128.06213	4.8
129.06989	14.0
131.04903	4.2
131.08553	23.5
133.02831	2.0
133.06456	7.5
133.10112	16.6
135.04413	6.2
135.08073	4.2
135.11679	10.4
137.06094	2.3
137.13264	1.6
139.03886	2.9
141.01833	1.7
141.06967	8.3
142.07774	2.3
143.08571	12.2
145.06470	10.1
145.10110	14.4
147.04378	6.8
147.08020	5.3
147.11711	9.0
149.02319	5.9
149.05965	3.3
149.09595	3.8
149.13252	4.8
151.03914	6.1
153.07008	3.1
154.07715	3.6
155.03380	1.8
155.08549	9.5
157.06476	4.4
157.10124	11.4
159.04425	4.9
159.08058	4.2
159.11658	10.8
161.05942	8.0
161.09645	3.4
161.13240	4.3
163.03906	6.1
163.07607	2.2
163.11168	1.6
163.14818	1.7
165.01794	3.0
165.05490	1.8
165.06908	2.0
165.12750	2.2
167.03342	3.0
167.08536	7.4
167.61057	1.6
169.05020	1.4
169.06422	2.5
169.10133	8.2
171.04364	3.3
171.07965	3.5
171.11658	9.6
173.05966	7.5
173.09627	3.3
173.13268	5.4
175.03819	9.2
175.07591	2.4
175.11098	3.9
175.14653	1.4
177.05516	2.4
177.16418	1.4
178.07799	1.4
179.03365	3.3
179.08511	2.8
181.06517	1.4
181.10106	5.1
183.08093	4.5
183.11682	6.3
185.05933	2.1
185.09615	4.6
185.13264	4.5
187.03860	3.4
187.11166	3.5
187.14784	3.8
189.05417	10.1
189.12733	1.6
191.03358	2.9
191.06970	2.0
193.05032	2.5
193.10123	2.8
193.12138	4.1
195.07980	3.2
195.11691	5.4
197.04417	2.0
197.09648	4.6
197.13228	3.8
199.03897	1.9
199.07552	2.6
199.11163	6.0
199.14807	3.0
201.05409	4.6
201.09012	1.9
203.03560	1.7
203.07069	2.5
205.04919	2.5
205.10291	1.5
205.12170	2.8
207.11801	1.8
209.09589	3.0
211.11169	1.8
211.14957	2.5
213.09048	2.6
213.12724	4.7
215.10603	3.4
217.04964	5.0
217.12279	1.9
221.04417	18.7
223.11201	4.6
225.09071	6.7
225.12653	2.6
227.10661	5.5
231.10143	2.8
231.13840	2.0
233.09604	2.6
233.11601	10.4
235.05965	3.8
237.09041	2.1
241.08777	2.9
241.12198	10.4
243.10133	5.1
243.13805	2.1
243.21109	2.2
245.11696	1.9
251.10712	7.1
253.08815	1.5
255.10175	3.3
259.13354	6.5
259.20486	2.6
261.22235	7.2
267.15866	12.9
269.11707	12.0
271.20633	1.7
277.10764	3.8
285.11209	2.0
287.12726	14.6
297.11096	7.3
303.12311	2.9
305.13812	6.1
311.24100	1.8
313.27295	10.5
315.12204	21.0
317.24860	2.0
333.13269	100.0
333.24191	3.1
334.13693	2.6
335.25766	82.8
336.26315	1.7
351.14362	7.9
353.16043	2.2
407.16812	8.3
410.17239	1.4
417.31195	2.2
425.18021	90.3
426.18195	4.2
427.19678	2.3
435.32495	8.4
443.19095	5.2
453.33652	3.2
465.42023	1.3
505.38919	9.4
509.35840	4.2
527.37274	43.1
528.37897	16.7
529.31915	1.9
529.39136	8.9
539.30902	2.6
557.32465	3.2
565.35101	3.1
567.36646	1.7
575.33594	5.1
593.34528	10.4
611.35748	10.9
629.36951	1.9
631.35498	2.0
649.36859	3.6
657.39886	2.3
667.38538	11.7
668.38306	1.9
685.39337	67.2
686.38928	4.6
703.40430	34.5
704.40088	2.0
925.62433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.7
67.05497	41.5
69.03420	2.4
69.07055	10.9
71.04984	1.9
71.08615	2.6
73.02891	1.4
76.65977	0.8
79.05479	27.4
81.03404	8.5
81.07043	39.0
83.01327	1.1
83.04960	2.5
83.08609	7.0
85.02880	3.1
85.06528	1.6
85.10168	1.9
85.74620	0.8
91.03941	1.3
91.04914	1.4
91.05463	19.9
93.07030	31.5
95.01303	4.0
95.04941	6.6
95.08588	28.1
97.02864	1.3
97.06496	2.8
97.10143	3.0
103.05444	1.6
105.03389	1.4
105.07009	15.9
107.04927	4.1
107.08570	14.5
107.28792	0.9
109.02868	2.2
109.06479	2.7
109.10132	11.9
111.08047	2.5
113.09602	1.2
115.05450	2.1
117.07003	8.1
119.04893	1.7
119.08562	10.8
121.02853	1.7
121.06492	2.1
121.09364	1.2
121.10123	12.9
123.04415	3.4
123.08031	2.0
123.11697	3.7
125.02321	1.6
125.09666	1.8
127.03928	0.8
128.06203	1.9
129.06978	7.0
130.07719	0.9
131.04910	2.9
131.08540	8.9
133.06462	3.2
133.10129	7.9
135.04390	3.3
135.08012	1.0
135.11688	8.3
137.09566	1.3
139.03891	1.6
139.11153	1.0
141.06944	3.4
143.08560	4.5
145.06473	4.2
145.10117	7.5
147.04373	2.9
147.08000	2.3
147.11668	4.8
149.02344	2.5
149.05968	1.9
149.09529	1.2
149.13223	3.2
151.03853	2.1
153.06918	1.5
155.08496	3.5
157.06473	1.8
157.10085	4.0
159.04343	1.6
159.08018	0.9
159.11697	5.9
161.05951	3.3
161.09599	1.6
161.13235	2.5
163.03871	2.4
163.11180	1.5
165.05460	2.0
167.03435	1.6
167.08569	2.1
168.02548	0.9
169.10069	4.6
171.04440	2.0
171.07997	2.0
171.11673	4.4
173.02272	1.1
173.05992	3.8
173.09624	1.9
173.13222	2.9
175.03873	4.1
175.07501	1.3
175.11223	2.3
177.05403	1.3
177.12711	1.1
179.03291	1.5
179.08473	1.3
181.10080	2.6
183.08037	1.8
183.11674	2.4
185.05891	1.6
185.09573	1.3
185.13252	1.6
187.03867	2.7
187.07443	0.9
187.11143	2.5
187.14752	1.4
189.05438	4.9
191.03400	1.7
191.06949	1.1
193.12158	3.0
195.07985	2.0
195.11649	2.8
197.09605	2.5
199.03897	1.5
199.07454	1.3
199.11186	2.1
201.05370	1.4
201.09172	1.1
203.06953	1.4
203.10745	1.0
205.10349	1.2
205.12215	1.5
209.09679	1.3
209.11638	1.6
213.05699	1.1
213.12738	2.2
215.10696	1.4
217.04935	1.8
221.04370	8.5
223.11165	2.9
225.09097	2.9
225.12923	1.0
227.10768	1.8
231.10115	2.0
231.13861	0.9
233.11673	5.6
235.05826	1.3
241.12238	4.4
243.10170	2.1
243.20973	1.3
251.10664	2.6
253.08350	1.4
255.10194	1.1
259.13190	2.3
259.20496	1.5
261.11273	2.1
261.22052	4.6
267.15891	7.2
269.11667	4.3
277.10678	3.1
279.10068	1.4
287.12817	5.5
289.10703	1.5
289.14340	1.1
297.11157	3.2
303.12222	1.9
305.13751	2.6
307.11722	1.1
307.15555	1.2
313.27313	10.3
315.12167	9.1
317.24704	1.8
325.12836	1.5
333.09293	2.1
333.13284	40.5
333.24203	2.0
335.25745	100.0
336.26059	2.8
351.14334	3.2
407.17068	4.7
425.18008	35.1
426.18509	1.0
435.32410	2.5
443.18915	7.1
505.38785	7.5
509.36136	1.0
527.37262	12.3
528.38013	2.5
547.40570	1.3
575.33374	1.9
593.34814	5.2
611.36053	6.0
649.37140	1.6
667.38281	7.6
685.39178	31.5
686.39282	1.7
703.40387	22.1
704.40222	1.8
817.46234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50201	0.4
65.03914	1.7
67.05489	31.6
68.89732	0.4
68.93679	0.4
69.03410	0.9
69.07051	7.2
71.04967	1.2
71.08600	0.6
73.02896	1.2
73.06528	0.8
79.05475	36.5
81.03400	3.5
81.07037	30.7
83.04965	4.7
83.08598	3.9
85.02892	3.0
85.06523	1.5
87.04433	0.5
91.03960	1.9
91.05458	27.7
93.07022	37.0
95.04396	0.8
95.04951	8.9
95.08585	22.8
97.02872	1.6
97.06479	2.6
97.10136	1.6
99.08089	0.6
105.04511	0.7
105.07002	18.2
107.04937	2.8
107.08572	15.5
109.02923	0.4
109.06493	2.6
109.10127	7.6
111.08028	1.0
117.06973	5.0
119.08550	13.2
121.06461	0.9
121.10118	7.7
121.51541	0.4
123.08018	2.7
123.11689	1.5
125.09632	0.4
127.03913	0.7
129.06969	6.1
129.66159	0.4
131.08545	4.1
133.06424	0.5
133.10092	7.2
135.08049	0.6
135.11659	5.4
137.09581	0.6
137.13197	0.5
143.08507	3.4
145.10075	6.2
147.08012	1.3
147.11658	12.7
149.13248	1.6
154.20404	0.5
157.10265	0.5
159.11671	2.7
161.09593	1.4
161.13214	4.7
163.05971	0.6
163.14784	0.7
169.09988	0.7
171.11655	8.9
173.13251	1.3
175.14763	0.6
177.12704	0.6
179.14247	0.5
187.14879	0.6
189.12737	2.9
197.13214	0.5
207.13762	8.6
225.14821	0.5
241.19736	0.4
243.21107	1.3
243.76347	0.4
261.22113	3.4
279.15802	1.9
281.17410	27.6
282.17838	0.8
313.27563	0.5
317.24689	1.1
333.24197	0.5
335.25726	36.9
336.26071	1.1
386.27045	0.5
449.34195	0.5
460.32782	0.4
523.37701	0.5
541.38788	100.0
542.39178	4.5
559.39771	1.5
629.73297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	0.4
68.99786	0.5
69.03418	4.6
70.06581	0.5
71.04609	0.7
71.04978	9.8
71.70182	0.6
73.02908	2.0
73.38927	0.4
81.03395	4.1
83.04961	4.1
84.14877	0.4
85.02890	19.9
87.04425	0.5
95.04948	0.8
97.02332	0.5
97.02883	6.6
99.04438	6.9
103.03921	7.4
106.47429	0.4
109.02850	5.0
111.00777	0.7
111.04412	4.1
121.02838	0.8
123.04430	0.5
127.03893	16.2
129.05469	3.2
137.02274	1.9
137.05949	0.5
139.03859	0.6
145.04936	7.0
147.04468	0.4
147.06497	0.9
153.01822	2.1
153.05348	0.6
163.03873	0.7
163.05991	3.0
165.01834	1.3
171.06464	0.4
183.02913	0.8
187.05942	1.0
192.89035	0.4
201.05418	0.6
205.04933	0.4
211.03883	0.5
215.89597	0.4
219.02995	0.4
229.04890	3.4
231.20081	0.4
237.07498	0.8
238.62964	0.4
239.09000	0.5
255.08682	0.5
257.04391	2.2
271.08179	1.9
285.03708	0.8
287.05392	1.3
289.09335	0.5
303.04944	100.0
304.05252	2.2
307.10120	0.5
315.04895	1.4
316.05652	0.7
327.05020	1.1
341.06848	0.5
345.05960	6.0
353.06406	0.4
369.05872	1.4
411.07104	0.5
413.08649	1.8
431.09534	1.0
439.97586	0.4
449.10712	5.7
466.95059	0.5
502.21805	1.4
503.21954	0.6
595.16199	0.8
609.14221	0.8
634.59161	0.4
667.41437	0.4
686.25787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16228	0.4
65.03886	1.4
67.05492	33.7
67.05830	1.5
69.03376	1.5
69.07055	9.4
71.04948	2.2
71.61275	0.8
71.61600	0.7
73.02877	0.8
74.61819	0.4
79.05479	29.4
80.05785	0.5
81.03364	2.0
81.07041	32.2
83.04959	2.9
83.08605	7.1
85.02886	2.9
85.06495	1.1
91.03897	1.2
91.05460	12.8
93.07026	41.6
95.04414	0.5
95.04953	5.3
95.08587	41.0
96.08881	0.8
97.02868	4.0
97.06527	2.9
97.10092	2.0
99.04443	2.4
103.05341	0.5
105.07010	8.9
107.04945	5.0
107.08574	23.8
108.08872	0.6
109.06459	1.5
109.10137	9.2
111.04393	1.2
111.08063	1.1
113.09602	0.4
117.06182	0.7
117.06986	6.6
119.07748	0.7
119.08556	10.9
121.06499	3.7
121.10123	15.4
122.10415	0.5
123.07993	0.5
123.11708	3.0
125.05978	2.2
127.03896	1.1
127.70713	0.5
129.06914	0.5
130.07750	0.9
131.08545	4.9
133.10127	5.2
135.07994	2.3
135.11667	35.0
139.07440	0.8
142.19812	0.5
143.08505	0.8
145.10095	20.4
146.10368	0.4
147.11615	1.7
149.09564	0.5
149.13210	2.6
151.14755	0.5
153.12737	0.7
159.11674	2.3
161.13167	2.3
163.05980	0.6
163.11153	37.7
163.14754	1.4
173.09619	1.0
173.13181	1.4
175.14719	0.8
181.12209	6.7
187.14790	1.0
227.12738	47.9
243.21016	2.2
261.22147	6.7
279.23120	0.7
283.15356	52.1
284.15714	0.9
317.24695	1.9
335.25739	100.0
336.26144	3.3
337.26462	0.5
361.58112	0.5
427.19305	0.5
433.30261	0.5
543.36719	95.0
544.37122	3.9
561.37817	0.6
705.41626	1.2
729.49353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03877	2.1
67.05493	37.6
69.03372	2.0
69.07063	10.1
71.04936	2.6
71.69907	0.7
73.02866	1.4
79.05481	30.8
80.39803	0.7
81.03360	2.6
81.07042	40.6
83.04916	2.8
83.08604	7.8
85.02842	3.2
85.06488	1.3
91.03899	1.7
91.05465	14.4
91.06018	1.4
93.07027	45.5
94.07317	0.8
95.01271	0.9
95.04963	6.9
95.08588	49.6
96.08876	1.0
97.02879	4.3
97.03358	0.9
97.06503	4.2
97.10085	2.5
99.04394	2.7
105.07013	12.5
107.04948	6.4
107.08578	29.7
109.06443	2.6
109.10131	11.6
111.04392	1.5
111.08032	1.6
115.05383	1.3
117.07000	8.4
119.07771	1.1
119.08558	15.2
121.06490	6.0
121.10126	20.7
123.08055	1.0
123.11640	2.8
125.05949	1.2
127.37537	0.7
129.05482	0.7
129.06903	1.2
130.07698	1.0
131.08545	6.7
133.10110	7.8
135.08023	1.5
135.11664	42.1
136.11952	1.2
137.13223	1.3
139.07455	1.3
143.08470	1.6
145.08975	1.3
145.10091	21.7
147.07939	1.3
147.11609	3.1
149.13182	3.5
159.11635	2.6
161.13167	2.3
163.11153	44.0
163.14761	1.1
164.11549	0.9
169.10040	0.8
169.17026	0.8
171.11649	0.8
173.13184	2.3
175.14803	1.0
181.12221	5.9
183.11475	0.8
187.14771	0.8
206.46590	0.7
207.13747	0.7
209.11690	1.0
209.13576	0.7
227.12740	49.8
228.13037	1.0
243.21024	2.6
261.22128	7.3
283.15359	54.6
305.29068	0.7
307.15210	1.0
317.24536	1.8
335.25745	99.4
336.26187	5.5
337.26483	2.1
427.19604	2.6
444.19528	1.3
445.19708	0.9
529.38733	2.7
543.36737	100.0
544.37067	4.8
687.40613	1.7
705.41827	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	903.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90450	0.2
67.05484	0.4
68.99796	0.4
69.03412	2.2
69.48896	0.1
69.49198	1.5
71.01339	0.4
71.04978	12.8
72.79529	0.1
73.02894	1.6
74.09693	0.2
75.04475	0.8
79.93383	0.1
81.03403	0.6
83.01369	0.2
83.04964	6.5
85.02890	19.9
85.06500	0.2
86.03200	0.2
87.04467	0.5
91.05455	0.3
93.03376	0.3
95.04949	1.1
97.02885	1.1
97.06509	0.2
98.21391	0.4
99.04443	1.1
101.05985	0.2
107.04924	0.3
109.02864	0.7
109.06465	0.2
111.00793	0.5
111.04418	4.5
113.06001	0.7
117.05473	0.9
121.02879	0.7
121.06474	0.3
122.53515	0.2
123.04422	0.4
127.03885	1.2
129.05455	6.1
135.04364	0.2
137.02318	2.3
137.05946	0.2
140.14694	0.2
141.05432	0.2
145.04918	0.5
147.06483	2.0
149.02347	0.4
149.05861	0.2
151.03879	0.2
151.07468	0.2
153.01802	2.3
153.05420	1.5
157.04984	0.5
159.06465	0.2
163.03860	0.4
163.06017	0.9
165.01796	1.4
165.05499	0.2
166.02577	0.2
167.03094	0.2
171.06534	0.7
173.05984	0.2
174.25011	0.2
175.07573	0.2
175.94522	0.2
183.02873	0.6
183.04318	0.2
183.06480	0.3
187.03920	0.3
195.02821	0.3
201.05470	1.1
201.07585	0.4
207.02931	0.2
213.07628	0.4
219.06532	0.3
229.04909	2.9
239.09100	2.6
246.18402	0.2
247.06007	0.6
255.08485	0.3
257.04379	2.1
257.10150	1.0
274.04681	0.5
275.05426	0.3
275.11118	1.1
285.03943	1.3
293.12274	1.1
299.05420	0.2
302.03946	0.3
303.04935	100.0
304.05249	2.8
309.11868	0.2
309.15146	0.2
315.04861	1.1
327.04950	0.5
341.06366	0.2
345.05899	2.5
369.06067	0.7
395.07413	0.4
413.08420	0.9
431.09460	0.5
449.10739	4.1
465.10239	2.3
469.19357	0.2
595.16339	0.4
611.15680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03887	1.8
67.05489	32.9
69.03414	3.3
69.07050	9.2
71.01311	0.6
71.04976	2.7
71.08585	0.5
73.02884	2.4
77.03850	0.8
77.35560	0.4
79.05477	27.5
81.03402	31.4
81.07040	38.5
83.04962	8.4
83.08601	14.1
85.02885	20.4
85.06483	1.8
91.03948	4.9
91.05460	25.9
92.05758	0.5
93.07023	29.2
94.07359	0.9
95.01130	0.4
95.04948	15.8
95.08585	25.1
97.02870	5.0
97.06493	3.5
97.10159	2.7
99.04409	1.1
99.08025	0.8
105.07009	18.0
106.07276	0.6
107.04929	3.3
107.08574	15.9
109.02835	0.7
109.06528	3.1
109.10134	9.8
111.04366	1.6
111.08054	5.3
111.63864	0.5
113.05941	1.1
115.05421	0.9
117.06995	3.7
119.04920	0.7
119.08554	15.5
121.06464	1.1
121.10126	13.8
122.10452	0.5
123.08035	2.4
123.11677	4.1
125.09548	1.1
127.03869	2.3
129.06967	5.3
131.08543	11.3
133.06424	1.6
133.09184	0.8
133.10106	11.3
135.11661	7.7
137.09508	1.0
137.13179	1.2
141.06857	0.7
142.07709	1.3
143.08485	0.9
145.04906	1.8
145.10088	5.4
147.07961	1.5
147.10591	0.8
147.11658	10.9
149.09592	3.6
149.13222	3.5
151.11122	1.3
157.10101	9.0
159.11682	3.0
161.13217	2.9
163.06013	2.8
163.11121	0.7
163.14752	1.4
165.12694	1.6
171.11578	0.9
173.13181	2.6
175.09694	0.6
175.11156	8.4
175.14690	1.0
177.16362	0.5
183.11551	0.5
185.13144	0.9
187.14726	1.4
189.11179	0.6
193.12207	24.1
194.12421	0.7
203.16147	0.5
211.13249	34.9
212.13550	0.6
227.12660	1.2
241.19444	0.8
243.20950	2.8
261.22089	9.1
267.15826	10.8
269.17435	0.7
285.16907	44.6
286.17261	1.4
301.25064	0.6
317.24655	2.3
335.25726	68.2
336.26059	3.2
417.31363	0.5
435.32635	1.2
453.33429	1.6
471.34283	0.6
509.36179	0.6
523.69135	0.5
527.37195	12.9
528.37750	1.0
545.38263	100.0
546.38629	8.4
563.38831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.4
66.84554	0.9
67.05492	45.6
68.89185	0.9
69.03415	6.0
69.07053	12.5
69.51788	4.4
69.52219	4.4
71.04980	4.4
73.02900	4.3
79.05017	2.1
79.05480	39.8
79.38036	0.9
80.60520	1.2
81.03402	55.1
81.07040	54.2
82.42851	0.9
83.04963	10.5
83.08112	1.0
83.08603	21.5
85.02885	30.0
85.06512	2.0
87.04488	1.2
91.03936	9.5
91.05463	34.4
91.06039	1.8
93.07027	35.9
95.04949	23.1
95.08586	32.5
97.02876	10.6
97.06512	4.9
97.10149	4.7
99.08050	2.0
105.06335	1.6
105.07014	26.0
107.04925	6.0
107.08564	18.9
107.21895	0.9
109.06517	5.4
109.10130	14.9
111.04424	2.0
111.08054	9.2
113.05995	2.3
115.05434	1.9
117.06976	4.8
119.08559	23.0
121.06499	2.2
121.10114	19.2
122.10460	0.9
123.08057	3.3
123.11698	5.7
125.09626	2.6
127.03902	3.3
127.07526	1.2
129.06979	10.2
131.08545	15.9
133.06447	3.3
133.10103	16.1
135.11653	9.5
137.09593	1.9
142.07759	3.0
143.08528	2.0
145.04912	3.4
145.10109	7.5
147.08025	2.3
147.11659	16.2
149.09595	6.0
149.13216	5.0
157.10092	14.6
159.11688	4.0
161.13274	2.7
163.06020	3.9
163.11163	1.4
163.14752	1.9
165.12744	2.2
169.10123	1.6
171.11650	2.0
173.13202	3.7
175.11153	15.2
184.07207	1.2
187.14873	1.6
193.12210	39.0
199.14795	1.2
211.13252	65.4
212.13644	1.6
243.21078	3.8
249.14775	1.2
259.20605	1.0
261.22134	11.0
267.15848	18.6
285.16904	78.6
286.17264	1.5
317.24707	4.0
333.24326	1.4
335.25739	71.4
336.25928	2.5
435.32538	3.5
437.90939	1.1
453.27005	1.1
453.33463	3.5
471.34570	2.6
527.37170	18.2
545.38269	100.0
546.38641	6.5
563.39307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.6
67.05492	8.0
68.99780	1.2
69.03419	57.5
69.07049	1.7
70.06564	1.2
70.47472	0.8
71.01333	3.7
71.04979	10.0
71.67879	0.9
73.02902	1.2
73.05882	0.5
75.04463	0.8
79.05480	5.9
81.03392	5.2
81.07041	9.5
83.04970	19.9
83.08599	1.4
85.02385	1.3
85.02889	22.0
85.06512	1.0
87.00330	0.9
87.00819	13.1
87.04446	1.6
91.05459	7.9
93.07020	8.5
95.04935	1.4
95.08598	5.3
97.02888	4.9
97.37099	0.5
99.04429	3.3
101.06013	1.2
105.01855	11.7
105.07016	11.9
107.04962	0.9
107.08582	7.9
108.71951	0.6
109.02855	5.6
109.06489	1.0
109.10135	7.8
111.04430	27.5
115.05451	0.6
116.35068	0.7
117.07017	3.8
119.08556	6.1
121.06407	0.7
121.10128	11.1
123.11703	2.1
127.03015	1.0
127.03900	13.0
128.06172	1.6
129.01833	0.9
129.05463	40.4
129.06895	5.6
130.07730	0.7
131.08560	8.5
133.10115	10.3
135.11678	2.9
139.03854	1.0
141.06963	2.2
141.09087	1.5
142.07739	5.8
143.08553	10.9
144.09315	1.0
145.04958	2.8
145.10101	10.6
147.10573	1.2
147.11665	17.1
149.09628	0.8
149.13245	2.7
151.03883	0.6
154.34383	0.6
155.08502	3.1
156.09300	1.0
157.10106	28.4
159.02892	1.5
159.11670	15.8
161.13248	3.2
165.09122	0.7
167.08589	0.6
168.09273	0.8
169.10103	2.5
171.11665	10.8
173.13234	5.4
179.10754	0.6
181.10034	1.0
182.10930	0.6
183.11639	4.4
185.13216	3.1
189.03914	0.9
189.07582	0.8
195.11690	1.5
197.13231	5.7
199.14761	1.5
209.13292	1.2
211.14813	4.7
213.03897	2.9
215.05450	4.5
223.14767	1.6
224.15590	1.4
225.16353	2.4
231.04915	4.3
233.06526	14.5
238.17152	2.0
249.06111	1.4
251.17921	4.4
253.19485	100.0
254.19785	3.1
255.21051	3.5
265.19443	1.1
271.20520	12.6
281.22519	1.2
327.23080	5.2
341.08630	1.5
359.09695	0.9
375.26077	0.7
393.28140	3.1
411.28864	4.3
424.07935	0.7
427.08572	0.7
429.30051	1.8
445.09521	0.9
463.10852	1.2
485.25140	2.6
501.24612	1.2
519.25757	2.7
659.33954	1.0
677.34949	1.1
751.31525	2.0
788.75775	0.7
909.41077	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	911.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.0
70.09861	5.3
72.08154	1.2
79.05493	4.8
80.60501	0.9
85.06101	0.9
93.07006	1.2
95.04938	1.7
98.21301	1.6
106.06517	2.6
106.26482	1.1
120.08084	2.8
123.04382	1.7
132.08176	1.2
134.05995	19.0
139.03983	1.2
151.03865	2.1
152.07039	2.8
172.03946	2.8
174.09145	1.4
184.07469	1.6
187.08682	3.6
199.08795	0.9
204.06593	3.6
222.30035	0.9
223.08714	1.0
225.10254	1.7
235.08667	2.3
236.09282	1.2
237.10236	2.4
242.08237	1.4
249.10164	9.7
250.10902	2.6
251.08200	1.8
263.08258	3.2
265.09656	2.1
267.11255	1.5
275.08270	1.7
277.09720	8.7
278.10327	2.1
279.11252	1.7
282.07727	2.0
286.06796	1.1
291.07874	1.0
291.11322	1.3
293.09375	1.9
295.10782	2.2
305.09079	6.1
307.10806	1.5
309.12204	4.7
311.13934	2.7
314.12860	1.5
315.14011	1.5
323.10165	1.5
325.11966	1.5
326.12967	2.3
327.13657	1.8
328.14398	1.8
337.11765	15.7
338.12885	2.9
339.13708	1.1
340.10815	2.2
340.14471	4.2
341.11273	1.4
342.16077	1.7
352.14514	1.3
354.12225	2.4
354.16049	1.7
355.13199	1.9
356.13797	2.2
358.15454	1.5
361.05231	1.0
363.09821	1.2
367.13138	2.8
368.13889	2.9
372.00327	1.0
374.14981	1.3
382.11475	2.4
382.16061	2.0
386.15015	1.6
388.16675	1.2
394.15631	1.4
400.16751	2.3
402.18427	1.1
413.13608	1.3
426.14236	8.8
429.16922	1.5
441.16827	1.4
442.17554	3.9
444.19058	6.0
454.17358	1.6
475.21503	1.7
476.15988	1.3
486.16318	8.4
492.18723	1.5
501.19601	1.5
502.19986	2.8
506.41876	1.1
507.18832	1.3
535.23322	1.8
536.20575	1.4
539.21576	1.0
552.20984	1.5
561.24713	6.2
566.22864	8.4
592.20959	3.3
593.24030	1.9
594.22278	5.7
609.27045	3.1
621.26825	6.3
622.28009	1.9
626.24762	12.4
652.22540	2.3
671.28796	1.2
731.30316	1.4
759.30084	100.0
760.30396	9.3
804.27423	3.1
879.31836	1.3
911.34778	83.3
912.34900	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	911.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.9
67.05497	12.7
68.99773	1.2
69.03419	76.4
69.07056	3.0
70.03716	1.0
71.01025	0.6
71.01344	6.2
71.04616	0.8
71.04983	11.4
71.70549	1.2
73.02896	2.3
79.05479	5.1
79.87681	0.6
81.03403	10.3
81.07047	10.2
83.01330	0.5
83.04967	20.1
83.08585	2.0
83.89680	0.6
85.02895	26.5
85.06529	7.5
87.00816	20.9
87.04448	2.0
91.05461	7.3
93.03376	0.7
93.06504	1.0
93.07036	7.5
95.04962	5.8
95.08595	8.0
97.02872	7.0
97.06517	1.6
97.10136	0.9
99.04440	5.9
101.05979	1.1
105.01852	17.5
105.07022	10.4
107.04901	1.3
107.08577	7.7
109.02180	0.7
109.02869	10.8
109.06510	3.9
109.10142	8.9
111.04428	23.9
111.08010	0.8
113.05968	4.8
115.07518	1.3
117.06992	3.1
119.08574	7.1
121.06485	3.4
121.10120	12.6
123.04401	1.4
123.08069	1.5
123.11671	1.7
125.09615	1.1
127.03898	17.5
128.06201	1.8
129.01836	1.5
129.05466	39.9
129.06873	3.7
131.07036	0.7
131.08542	10.1
133.10106	12.2
135.04308	0.6
135.07999	1.3
135.11682	4.2
137.09604	1.5
139.03857	1.9
141.06964	1.9
141.09164	0.7
142.07767	3.7
143.08548	9.7
143.10620	2.9
144.09305	0.7
145.04929	4.5
145.10110	12.1
147.02829	1.5
147.11665	16.2
149.09602	1.4
149.13203	3.0
151.11249	0.7
153.05374	1.0
153.22150	0.7
155.08522	2.8
157.10106	27.5
159.02898	6.1
159.11690	14.1
161.13245	3.6
163.03835	1.3
163.11208	1.3
165.09099	1.2
167.10747	1.2
169.10091	3.0
171.11661	9.1
173.13261	4.0
175.11145	2.2
179.10649	1.0
181.10019	0.8
183.11665	4.1
185.13210	4.5
187.14787	1.5
191.06973	0.8
197.13232	7.1
199.14838	2.4
199.65895	0.6
201.16325	1.1
209.13191	1.0
210.25906	0.7
211.14795	6.1
211.86777	0.7
213.03914	1.6
213.16304	4.1
215.05458	1.9
215.14297	0.7
215.17867	1.3
223.14818	1.3
224.15651	1.6
225.16371	2.2
229.19482	2.4
231.04930	5.1
233.06529	10.1
235.14767	0.8
238.17140	1.5
239.17903	1.1
249.05913	1.5
251.17818	3.4
253.19487	100.0
254.19992	2.4
255.21033	4.0
269.18893	1.1
271.20517	28.5
272.20737	1.0
281.22775	1.2
281.91748	0.8
283.21088	1.0
283.24097	4.5
337.25348	1.0
341.08810	1.2
355.26160	3.9
372.42862	0.7
377.28430	2.2
393.27783	2.2
395.29376	18.5
397.30923	1.5
411.28595	1.5
413.30484	27.6
431.31537	14.5
445.09692	0.8
451.80527	0.6
485.25180	1.0
501.24890	0.7
519.25793	15.9
541.69196	0.7
603.31677	5.4
659.34076	5.2
661.35785	23.2
662.35913	1.2
677.35303	2.0
679.36755	18.7
835.37231	0.9
893.40533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.4
67.01884	0.7
67.05492	12.6
68.99780	1.4
69.03417	80.1
69.07065	3.4
70.03745	1.2
70.04071	2.3
71.01340	5.2
71.04980	12.3
73.02906	1.8
79.05473	6.2
81.03401	10.2
81.07040	13.2
83.04967	22.7
83.08609	2.0
84.05307	0.7
85.02888	28.3
85.06528	8.8
87.00813	22.8
87.01360	0.8
87.04461	2.4
91.03941	0.9
91.05465	6.3
93.07021	9.4
95.04944	7.3
95.08591	8.8
97.02865	7.2
97.06522	2.6
97.10185	1.4
99.04436	5.4
101.06010	1.3
105.01128	1.1
105.01840	17.9
105.07014	9.8
107.04945	1.3
107.08575	9.8
109.02854	14.0
109.06503	3.8
109.10140	9.5
111.04423	26.2
111.08081	1.3
112.04797	0.8
113.06001	3.7
115.05429	0.9
115.07515	0.9
117.01806	0.8
117.07001	4.4
119.08578	7.3
121.06509	3.2
121.10124	12.6
123.04418	3.1
123.08062	2.4
123.11687	2.6
124.04839	0.8
125.09621	2.4
127.03893	19.9
127.37806	0.5
128.06229	1.4
129.01819	1.3
129.05457	44.3
129.06857	3.9
130.05794	2.0
130.07777	0.7
131.07068	0.7
131.08534	9.6
133.10097	11.0
135.04478	0.5
135.07999	1.5
135.11662	3.6
137.09644	1.4
139.03859	0.9
141.06944	1.9
141.09120	0.8
142.07745	3.7
143.08527	10.1
143.10632	3.5
145.04904	5.3
145.10095	12.3
146.10475	0.7
146.94972	0.6
147.02879	1.6
147.11661	20.2
149.09590	0.7
149.13232	3.2
151.03848	0.6
151.11172	1.1
155.08617	2.8
156.09381	0.6
157.10109	27.1
158.10425	1.6
159.02878	5.5
159.11658	16.7
161.09598	0.9
161.13237	4.5
163.03813	0.8
165.09090	3.1
166.09451	1.2
167.10710	1.0
168.09326	0.7
169.08820	0.6
169.10097	3.4
171.11659	9.3
173.04448	0.8
173.13228	4.7
175.11159	1.8
175.14812	1.5
179.10664	2.3
180.10876	0.9
181.10129	1.3
182.10846	0.7
183.10162	1.2
183.11665	5.4
185.13216	4.8
187.14793	2.2
189.03972	0.7
189.12830	0.6
195.11647	1.5
196.12495	1.0
196.54970	0.6
197.13235	7.4
199.14803	2.2
201.16336	1.1
209.13187	1.1
211.14771	6.1
212.15312	1.0
213.03914	2.5
213.16344	4.8
214.16675	1.1
215.05467	1.9
215.17856	1.6
223.14816	1.5
224.15538	1.5
225.16333	3.5
227.17917	0.9
229.15874	0.6
229.19414	2.7
231.04947	5.4
233.06517	10.4
235.14661	0.7
237.16351	1.1
238.17102	1.8
239.17883	1.0
249.06038	1.4
249.16150	0.7
251.17964	4.2
253.19475	100.0
254.19817	4.0
255.21053	3.4
265.19376	0.8
269.18970	1.0
271.20520	29.4
272.20779	0.8
279.20929	0.8
281.22623	1.0
283.24268	4.4
297.22003	0.6
325.25235	0.7
337.25137	1.2
355.26367	4.9
359.27145	1.0
377.28409	3.7
393.28055	3.1
394.27933	2.2
395.29352	19.7
396.29614	1.0
397.30865	1.6
411.29050	3.7
412.29013	2.4
413.30417	29.5
414.30768	1.2
415.31735	0.7
431.31467	13.5
464.49847	0.7
485.25134	1.3
494.18701	0.7
501.24698	1.8
519.25922	15.3
520.26099	0.7
603.31433	5.0
627.35846	0.6
643.34583	0.8
645.35565	1.2
659.34332	4.8
661.35681	26.2
662.35388	2.3
677.34796	2.7
679.36774	19.6
680.37122	1.1
703.67633	0.7
751.31024	0.7
822.22150	0.6
893.40137	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	914.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
65.59575	0.6
67.05496	15.1
69.03393	1.9
69.07057	9.0
71.04966	1.2
71.08619	20.5
73.02889	1.5
79.05483	8.4
79.47889	0.6
81.03404	65.5
81.07042	18.6
83.04976	3.2
83.08607	18.7
85.02896	6.3
85.06511	0.8
85.10169	11.3
89.05994	1.7
91.03943	3.5
91.05465	9.9
93.07024	4.9
94.33081	0.6
95.04951	17.7
95.08015	1.1
95.08591	17.2
97.02888	4.1
97.06525	0.9
97.10138	4.3
99.04476	0.9
99.08051	0.9
103.07558	1.4
105.06425	0.7
105.07018	8.4
107.04952	4.6
107.08555	2.3
109.02806	0.7
109.06484	2.2
109.09504	0.8
109.10146	8.6
111.04417	1.7
111.08044	5.0
111.11671	1.0
115.05411	1.0
116.26648	0.8
117.06998	1.0
118.97221	0.6
119.04897	0.8
119.08553	10.1
121.06466	1.7
121.10120	4.9
123.04398	0.9
123.08037	1.7
123.11658	2.9
127.03893	1.9
129.07002	6.4
131.08549	6.4
133.06422	2.3
133.10075	3.6
135.11681	0.9
137.09550	1.1
137.13220	1.8
142.07721	1.8
143.08492	0.9
145.04886	1.5
145.10062	2.0
147.07997	2.7
147.11670	5.4
149.09618	3.4
157.10112	8.3
163.05989	2.4
163.11182	1.3
165.12669	1.4
169.69063	0.7
175.11177	6.4
193.12213	24.2
211.13248	1.7
235.13210	2.0
239.23665	2.3
239.31644	0.6
249.14967	2.1
257.24738	1.7
259.13309	1.5
267.15878	100.0
268.16168	1.9
301.14371	1.4
309.16879	2.8
313.27316	99.8
314.27484	2.7
319.15225	1.0
505.38821	77.6
506.39142	3.3
523.39838	1.5
547.39844	5.4
601.40704	2.5
613.40479	1.7
631.42139	2.4
751.70868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.7
67.05141	3.1
67.05492	47.4
69.03403	6.9
69.07053	16.7
70.06562	2.7
71.04964	6.8
71.69521	4.4
72.04500	3.9
79.05476	54.7
81.03401	44.1
81.07040	54.5
83.04976	12.5
83.08604	22.7
85.02894	22.9
85.06521	4.9
91.03925	5.0
91.05464	79.7
91.06033	4.1
93.07027	54.9
95.04951	24.9
95.08587	35.4
97.02868	7.3
97.06510	6.2
97.10154	5.2
98.21273	2.7
99.08080	2.7
105.06335	4.4
105.07016	74.2
107.04923	6.4
107.08571	34.3
109.06483	7.3
109.10129	16.1
111.08037	9.7
115.05450	3.1
117.07005	15.6
119.08559	57.8
121.10125	23.8
123.08026	5.3
125.09585	6.1
129.06989	20.6
131.08546	37.1
133.10109	45.7
135.11659	13.5
137.09586	3.3
142.07759	3.8
143.08516	12.0
145.04913	2.3
145.10112	24.1
147.08022	4.3
147.11655	43.2
149.09564	6.7
149.13213	7.5
155.08498	4.9
157.10097	20.6
159.11684	18.0
161.09575	2.8
161.13240	22.4
163.11121	3.9
163.14787	2.6
165.12663	2.5
169.10069	2.9
171.11638	13.8
173.13200	11.7
175.11148	13.2
175.14757	8.6
177.12704	2.5
181.10197	3.0
182.38150	2.1
183.11682	2.8
185.13168	10.1
187.14798	4.7
193.12192	32.3
197.13179	3.8
199.14780	5.8
211.11285	2.6
211.13249	40.7
211.15117	2.8
217.19478	3.3
219.82524	2.1
227.12668	4.8
229.14299	4.5
231.21028	6.0
232.34932	2.1
240.07878	2.9
241.19472	26.2
249.14883	2.2
257.18896	2.4
259.20532	66.4
259.23260	3.4
265.14804	2.3
267.15897	16.2
269.08099	2.4
269.17508	4.5
277.21677	3.6
283.09567	5.3
283.15356	3.7
284.09967	2.8
285.16904	42.0
309.52829	2.1
315.19751	2.3
315.23111	10.9
333.24228	58.8
335.25851	3.6
349.24304	2.7
365.18701	2.3
433.30731	6.9
451.31644	9.2
469.32599	3.7
515.37061	3.5
525.35626	37.1
543.36713	100.0
544.36438	4.0
561.37482	5.8
669.39886	3.9
687.40411	3.1
920.53448	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	920.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	5.6
67.05495	57.3
69.03413	6.0
69.07058	18.1
70.06573	4.3
71.04965	4.6
73.02919	3.9
79.05476	59.9
81.03403	59.1
81.07044	68.5
83.04962	15.9
83.08612	23.0
85.02887	27.4
85.06541	3.3
91.03943	7.0
91.05462	75.8
93.07027	54.9
93.07584	4.0
95.04964	28.4
95.08586	32.2
97.02871	13.4
97.06511	9.0
97.10152	6.7
105.07012	74.9
107.04938	8.1
107.08580	35.7
109.06497	5.7
109.10133	19.0
111.08056	11.4
115.05496	3.9
117.06988	18.9
119.08559	58.9
121.06480	5.1
121.10119	26.4
123.04398	3.1
123.08069	5.9
123.11694	6.1
125.09641	7.2
127.03904	4.2
129.06998	19.5
131.08553	40.9
133.10110	46.2
135.08025	4.2
135.11670	13.6
137.09567	5.0
142.07718	6.1
143.08536	9.8
145.10095	23.5
147.08025	3.3
147.11658	48.5
147.12724	4.1
149.09583	8.4
149.13237	9.4
157.10120	22.3
159.11681	17.1
161.06055	2.9
161.09752	3.2
161.13239	17.1
163.06044	2.9
163.11099	3.0
165.12669	3.3
169.10098	5.7
171.11617	16.9
173.13190	12.6
175.11137	11.9
175.14796	9.6
177.12735	3.3
183.11661	4.8
185.13254	7.2
187.14813	3.9
189.11131	3.4
193.12215	39.1
199.14748	3.4
209.13266	2.8
211.13255	46.1
211.15108	2.9
227.12764	8.3
229.14415	4.3
231.21236	5.4
241.19452	20.3
257.18982	4.2
259.20526	55.6
267.15872	21.9
269.17612	5.0
275.19998	3.6
283.15277	3.8
285.16901	58.8
285.20059	3.9
296.02869	2.6
297.22101	3.4
315.23303	6.5
333.24185	45.2
334.24393	3.1
415.30035	3.3
427.27066	2.8
433.30884	7.6
451.31995	11.5
463.30267	4.4
469.33173	3.6
507.34534	3.5
515.37079	6.1
525.35736	37.2
543.36743	100.0
544.36713	5.9
561.37579	5.4
570.79437	2.8
920.52759	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	920.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	2.5
67.05495	57.0
69.03406	3.4
69.07056	12.0
71.04978	20.1
71.69920	1.4
72.23963	0.8
73.02894	2.6
79.05480	37.8
81.03424	2.2
81.07044	90.7
83.04961	3.4
83.08604	8.1
85.02895	12.6
85.06528	6.3
85.69083	1.1
91.03959	7.1
91.04450	1.3
91.05463	29.3
93.07030	41.9
95.04942	4.9
95.08590	29.0
96.04471	1.0
97.02876	7.0
97.06510	6.5
97.10169	2.0
99.04401	1.0
99.08060	1.3
105.07018	17.4
107.07909	1.7
107.08579	21.7
109.06506	1.3
109.10146	14.0
117.06995	5.4
119.08570	11.4
121.10123	16.9
123.08053	1.8
123.11691	14.3
127.03906	2.6
127.07499	1.1
129.06984	1.1
131.08571	9.1
133.10115	21.8
135.11665	12.6
137.13277	1.0
141.20667	0.8
143.08531	1.4
145.04974	2.7
145.10127	6.2
147.11642	6.1
149.13251	7.5
151.11177	7.7
153.12718	1.2
157.10159	1.9
159.11674	7.4
161.13242	2.4
163.05946	3.1
169.10046	1.2
169.12296	1.1
171.11690	1.2
173.13216	4.6
175.14838	1.2
177.12695	2.6
183.13791	3.4
185.13240	1.4
187.13258	3.3
187.14754	1.2
195.13794	1.4
201.14775	1.3
201.16418	1.2
207.58986	0.9
227.16260	1.4
243.21075	1.0
253.17792	1.2
257.17392	2.0
259.20663	2.1
261.22058	3.4
269.17358	6.4
301.20026	18.9
307.58093	0.9
311.02533	1.0
317.24786	1.2
325.25598	1.0
335.25742	19.1
357.21487	1.0
411.32440	1.7
437.33716	2.1
483.27380	1.2
485.35950	4.8
503.37225	83.7
504.37399	4.2
511.37903	2.0
517.38751	4.3
529.31323	1.7
529.38818	27.9
530.39087	1.4
561.41425	100.0
562.41809	6.6
647.40430	1.0
705.45605	1.7
920.64148	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	920.556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.0
67.05493	47.5
68.05803	0.5
68.13290	0.4
69.03418	2.5
69.07056	8.9
70.88266	1.3
71.04978	14.4
72.43522	0.4
73.02907	2.1
73.06544	0.6
79.05480	26.8
81.03413	1.4
81.07041	71.1
81.29825	0.4
82.07375	1.0
83.04972	3.0
83.08598	5.6
84.24594	0.5
85.02885	6.8
85.06523	5.8
86.21436	0.4
91.03946	4.3
91.05463	20.2
93.07026	29.6
95.04974	3.1
95.08588	22.5
97.02879	5.3
97.06518	4.1
97.10152	2.2
99.04442	0.5
99.08089	1.3
105.07011	12.1
106.13839	0.5
107.08576	18.0
108.08928	0.4
109.06522	1.5
109.10139	10.2
111.08080	1.4
116.71705	0.4
117.06991	4.4
119.08557	6.9
121.06449	0.5
121.10121	13.3
123.08017	0.5
123.11681	9.8
123.12514	0.7
125.09612	0.9
127.03909	1.7
131.08557	5.8
133.10107	14.1
135.11673	7.6
143.08588	0.8
144.06537	0.4
145.04936	1.7
145.10107	4.0
147.11655	3.2
149.13235	4.8
151.11180	4.4
157.10114	0.8
159.11655	5.6
159.17741	0.4
161.13217	2.7
163.06010	1.7
163.14845	1.0
168.90958	0.5
169.12215	1.0
171.11638	0.7
173.13234	1.8
175.14822	1.0
177.12764	1.8
180.08759	0.5
183.13797	1.5
185.13225	0.6
187.13275	2.5
187.14752	0.8
195.13828	1.2
201.16357	0.5
227.16417	1.1
243.15984	0.9
243.20987	0.7
257.17499	0.8
261.22052	2.5
269.17365	4.8
299.23944	0.6
301.20041	11.2
308.85229	0.4
316.46494	0.4
317.24844	0.5
335.25751	21.1
336.26245	0.7
359.21741	0.5
359.46481	0.5
363.25436	0.5
393.31277	0.6
437.33749	0.5
445.24133	0.8
485.36359	2.1
503.37228	71.5
504.37695	2.3
511.38058	0.7
517.38672	2.9
529.38843	14.6
547.39697	0.8
561.41400	100.0
562.41638	4.6
583.93079	0.5
647.41278	1.0
673.42413	0.7
705.45050	1.4
813.24139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53015	4.6
67.05495	5.6
69.03427	7.4
69.07072	5.0
70.06575	11.5
70.89413	5.1
70.89744	10.7
79.05485	6.3
81.03411	4.3
83.08598	4.9
85.02906	11.4
91.05461	9.0
93.07066	7.8
96.08097	7.1
108.08080	4.7
120.08105	16.8
122.09637	6.7
123.08149	5.0
127.03888	9.3
132.08022	5.4
144.08025	27.9
145.08807	10.5
147.09137	11.5
157.10104	5.5
158.09622	11.2
160.09937	10.2
160.11189	73.1
162.09125	6.0
163.03888	7.2
164.07022	7.3
168.06595	5.7
168.08008	5.3
177.13875	11.5
183.10442	6.8
186.09200	7.4
187.12343	5.1
198.11328	6.9
199.12260	13.8
200.13184	7.0
203.11758	58.2
211.08669	13.6
212.09319	6.4
215.15439	15.4
216.13875	18.4
217.13293	7.0
221.10699	6.8
223.08572	7.4
225.10220	12.3
226.10936	8.2
229.09691	11.5
231.14891	8.5
233.16438	24.7
239.11833	25.0
241.09656	7.8
241.13295	77.2
243.14992	5.8
251.08153	6.2
253.09692	15.0
253.19542	10.3
255.14949	18.2
256.12326	5.1
259.14426	34.4
267.08310	5.6
267.11203	37.7
277.15543	5.5
281.09177	13.6
284.11365	6.6
285.12323	17.0
295.10751	24.1
297.12234	11.0
299.10214	6.9
313.11807	79.8
323.10165	18.8
336.55389	5.0
341.11288	39.6
351.09882	10.3
355.12939	18.5
359.12399	10.4
373.13892	100.0
401.13358	9.1
418.16153	10.6
524.19330	8.3
545.23926	29.5
559.25232	14.2
562.75787	4.9
565.24323	5.9
577.26337	38.3
583.25397	44.1
597.26782	16.8
601.26447	77.4
615.28070	93.8
627.24316	13.3
633.29114	74.3
641.25690	7.3
645.25830	6.7
659.26276	14.4
677.28082	12.0
902.38580	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	932.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	46.7
69.03397	2.9
69.07056	15.8
71.04951	1.9
71.08618	2.6
71.68980	2.6
71.69400	1.7
79.05480	39.7
81.03387	4.6
81.07043	49.0
83.01334	2.0
83.04958	3.2
83.08603	8.8
85.02877	5.5
85.06539	2.4
85.10171	2.1
90.40759	1.4
91.05466	29.8
93.07029	37.9
95.01303	6.3
95.04967	9.8
95.08591	37.6
97.02840	3.8
97.06499	3.2
97.10143	4.2
103.05457	2.2
105.06999	18.7
107.04945	4.3
107.08570	18.5
109.02855	2.0
109.06487	2.9
109.10139	14.8
110.18313	1.9
111.04484	1.8
111.08076	2.1
115.05422	3.5
117.06979	9.1
119.04902	1.9
119.08549	15.2
121.02866	2.6
121.06470	2.0
121.10118	14.2
123.04435	2.5
123.08065	2.7
123.11657	6.2
125.02278	2.0
125.09614	1.6
129.05475	2.2
129.07007	8.2
131.04866	3.7
131.08545	15.5
133.02849	2.1
133.06485	1.7
133.10123	10.9
135.04393	2.9
135.08020	1.8
135.11679	7.6
137.02283	1.6
137.09457	1.8
137.77951	1.6
139.03891	3.0
141.06946	4.4
142.07819	2.0
143.08530	4.9
145.06450	4.3
145.10065	8.4
147.04381	3.2
147.07993	1.8
147.11652	6.9
149.02307	1.9
149.05888	1.8
149.09625	1.8
149.13231	5.4
151.03876	2.1
155.08536	5.2
157.06538	1.7
157.10059	7.7
159.04411	2.1
159.11676	6.5
161.05952	3.5
161.13188	1.7
163.03914	2.8
169.10074	6.2
171.04320	1.8
171.08064	2.9
171.11668	6.3
173.05969	3.8
173.09634	3.3
173.13225	5.2
175.03859	4.2
175.07417	1.6
175.11145	1.8
177.05457	2.2
178.13612	1.9
179.03375	2.1
179.08502	1.7
181.10089	3.7
183.08038	1.9
183.11635	4.5
185.05904	2.1
185.13182	4.0
187.03786	2.5
189.05421	5.5
191.03433	2.5
193.10048	1.7
195.11703	3.7
195.13548	1.5
199.11198	4.0
199.14801	2.0
201.05341	1.8
201.12711	1.7
203.06985	1.9
205.77606	1.6
211.14722	1.8
213.12735	2.7
215.10684	3.7
217.04993	2.0
221.04434	4.9
221.13164	1.9
223.11195	2.0
225.09155	2.3
227.10518	3.5
233.11694	5.3
241.12163	5.2
243.21225	1.7
251.10645	3.4
253.12099	1.7
259.13196	2.9
261.11234	2.2
261.22113	7.5
269.11713	4.1
269.17471	1.9
277.10599	4.0
287.12711	8.6
289.14252	1.8
297.11334	3.2
305.13919	3.2
313.27252	9.8
315.12381	9.4
315.15472	1.6
333.13263	46.9
333.24405	2.1
334.13724	2.0
335.25745	100.0
336.26035	4.7
351.14282	6.4
407.16742	7.3
425.12238	2.1
425.17944	31.1
435.32172	3.8
443.19101	2.9
457.20517	3.1
475.21854	2.8
527.37268	27.8
528.38116	8.0
529.39276	9.8
557.32080	3.0
573.48322	5.3
575.33484	3.9
593.34222	4.6
611.35480	9.5
639.37939	2.8
649.36877	3.9
658.54401	1.9
667.38647	9.7
685.39301	42.9
686.39771	4.5
703.40363	37.8
704.40100	2.2
721.38599	1.7
735.42102	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	29.6
69.03416	1.1
69.07063	9.5
70.10791	3.9
71.04977	1.5
71.08242	1.1
71.08616	15.3
73.02901	3.5
77.25485	0.8
79.05016	1.1
79.05475	17.5
81.03417	1.4
81.07040	34.1
83.04926	0.7
83.08598	6.9
85.02890	14.4
85.06524	1.2
85.10159	9.8
89.06025	1.2
91.03936	10.2
91.05459	9.8
93.07026	19.2
95.04939	1.6
95.08588	32.8
97.02865	7.7
97.06498	1.0
97.10150	4.4
99.11755	0.9
103.07563	1.1
103.99391	0.7
105.07007	7.3
107.08572	12.3
109.10137	16.9
117.06991	2.1
117.93939	0.6
119.08539	6.5
121.10110	10.5
123.07978	1.0
123.11681	6.4
127.03873	4.1
131.08533	5.5
133.10081	4.7
135.11671	9.8
137.13263	2.5
145.04935	5.3
145.10086	4.4
147.11674	4.3
149.13235	6.0
159.11656	4.1
161.13246	3.5
162.78238	0.7
163.05983	4.8
163.14816	3.9
163.15985	0.7
168.72966	0.6
173.13243	3.5
175.14828	1.6
177.16447	1.0
187.14864	2.2
233.22684	1.4
239.23666	3.4
243.21077	10.1
257.24774	1.7
261.22101	34.9
262.22382	0.8
313.27310	100.0
314.27625	2.6
317.24680	6.1
335.25739	81.3
336.26120	2.2
374.37704	0.6
499.45291	1.0
573.48682	41.9
574.48883	2.2
591.49811	7.2
783.02179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.0
67.05494	14.9
69.03418	10.2
69.07057	6.7
71.01324	1.9
71.04977	1.6
71.08610	1.1
71.43306	0.8
73.02903	8.2
79.05481	9.9
80.05838	0.5
81.03033	0.4
81.03412	3.5
81.07040	14.4
82.07372	0.9
83.01340	0.4
83.04963	1.9
83.08608	4.0
85.02892	20.5
85.06499	0.5
91.03944	11.2
91.05459	9.9
93.06432	0.7
93.07030	11.8
95.04966	2.3
95.08587	12.8
97.02875	17.6
97.06508	0.8
97.10155	2.3
99.04448	2.2
99.08076	1.0
101.02339	2.4
103.03964	0.6
105.07006	9.3
107.04933	1.1
107.08573	6.7
109.02847	1.7
109.06506	1.1
109.10135	4.4
115.03917	1.4
115.05445	0.9
116.06232	0.5
117.06995	5.1
119.08562	7.9
121.10117	4.6
123.08067	1.0
123.11697	1.7
125.09595	1.0
127.03893	5.6
128.06203	2.0
129.05479	0.9
129.06973	5.8
131.08534	7.3
133.06456	0.6
133.10092	4.8
135.11668	3.3
137.09648	0.5
137.13245	0.7
139.11174	0.5
141.06938	3.3
142.07788	1.5
143.08540	7.5
145.04951	3.4
145.06429	0.5
145.10097	7.4
147.11656	3.3
149.09589	0.7
149.13246	0.8
151.11151	0.7
153.06908	1.1
154.07759	0.9
155.08531	6.4
156.09303	1.1
157.10100	8.2
159.11697	5.8
161.13255	1.8
163.05981	1.4
163.14743	0.8
165.06917	0.5
166.07803	0.8
167.08559	3.7
168.09290	0.9
169.10110	9.2
170.10760	0.5
170.13142	0.4
171.08000	0.6
171.11647	6.8
173.13237	3.9
175.14798	1.4
175.88283	0.4
179.08548	1.7
180.09315	0.6
181.10106	5.0
182.10857	1.2
183.11653	7.9
185.13220	4.7
187.14767	2.6
189.16348	0.9
191.08553	0.6
191.14339	0.5
193.10136	1.9
194.10878	0.8
195.11665	4.2
196.12355	0.6
197.13240	6.2
199.14803	3.8
201.16422	0.7
205.10069	0.7
207.11676	2.4
209.13234	4.7
210.14137	0.5
211.14804	4.3
213.16307	2.1
215.17976	0.6
219.11671	0.8
221.13210	2.6
223.14746	3.4
225.12781	0.6
225.16330	2.7
227.17998	1.4
229.19368	0.5
233.13229	0.7
235.14818	1.7
237.16423	2.0
239.17981	2.0
241.19543	0.8
243.17555	0.6
247.14891	0.8
249.16278	0.8
251.18054	1.3
253.19408	1.0
261.16333	0.8
261.22046	0.9
263.17978	0.8
265.19547	0.8
275.14514	0.5
275.17865	0.6
276.23013	0.5
277.19528	1.2
297.21872	0.7
299.20282	0.5
305.22708	0.6
307.20462	0.5
313.27353	1.3
314.27670	0.7
321.21964	0.7
323.23560	0.9
325.21603	0.7
325.25327	0.5
333.13382	1.6
334.13828	0.8
335.25952	4.4
336.25940	2.5
337.25336	1.2
339.26892	0.8
351.26883	0.7
365.28583	0.5
391.30170	0.7
392.31052	0.6
425.18069	1.2
426.18347	1.0
429.31808	0.6
458.05225	0.5
473.32697	0.6
499.39630	0.9
501.36243	0.7
515.37512	1.0
517.40405	4.2
521.35541	0.5
527.37183	1.0
528.37689	0.6
535.41217	1.8
539.37402	1.6
540.38000	0.6
541.38995	1.1
553.41217	0.5
555.41772	0.6
567.40411	0.5
591.43945	5.7
607.43707	2.8
609.45020	100.0
610.45093	4.0
611.48047	0.6
621.44781	2.3
633.45123	1.3
651.46210	1.3
668.36816	0.6
675.46179	0.9
686.39532	1.5
699.46198	0.9
704.41052	1.3
717.46991	1.4
735.48505	2.7
753.49445	3.0
771.50183	23.7
772.50336	1.2
840.54724	0.5
933.55878	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	936.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	5.5
67.05494	79.3
69.03410	5.3
69.07058	17.4
70.06580	10.0
71.04984	5.1
73.02894	2.8
79.05020	3.1
79.05479	56.2
81.03402	100.0
81.07043	74.5
83.04951	6.2
83.08605	27.3
85.02880	12.3
85.06536	4.3
91.03936	4.8
91.05462	45.3
93.06435	2.9
93.07026	59.2
95.04947	40.5
95.08587	54.8
96.05285	2.0
97.02871	7.8
97.06532	6.2
97.10145	11.2
98.20718	2.9
99.08084	2.1
103.59390	1.2
105.07016	35.5
106.07430	1.9
107.04950	10.5
107.08567	33.7
108.43037	1.4
108.52124	1.2
109.02873	1.6
109.06511	8.1
109.10141	28.7
111.04433	3.0
111.08053	8.1
115.05427	3.0
117.07011	10.6
119.08554	30.0
121.04658	1.4
121.06474	5.6
121.10113	29.3
123.04419	3.6
123.08061	4.2
123.11673	8.0
125.09606	4.3
127.03888	3.1
128.06255	1.7
129.06979	13.6
131.08545	21.2
131.29660	1.4
133.06473	4.1
133.10104	17.7
135.08075	2.3
135.11668	21.0
137.09636	3.2
137.13219	2.5
141.06985	1.8
142.07744	4.0
143.08539	4.4
145.04988	3.5
145.10110	14.0
147.04398	3.7
147.08035	5.3
147.11667	16.9
149.09619	7.2
149.13234	9.6
157.10089	12.0
159.11681	9.1
161.13173	7.5
163.06017	4.7
163.11174	3.5
163.14813	4.2
165.12755	2.2
167.08505	1.9
169.10063	2.6
171.11740	3.5
173.11893	1.6
173.13200	6.9
175.11151	8.2
175.14821	4.2
177.12747	2.1
185.13263	2.6
187.14804	5.6
189.05441	1.6
189.11176	5.1
191.14366	1.4
193.12219	24.2
194.56549	1.5
195.11580	1.4
201.16408	2.2
211.13243	2.2
213.04655	1.4
215.17934	1.9
227.12827	6.4
235.13411	2.8
243.21063	5.6
249.14934	2.7
259.13315	2.6
261.22073	24.0
267.15866	90.4
268.16119	2.1
273.14691	1.5
279.23135	2.2
285.22177	1.7
299.23364	2.1
301.14291	3.6
301.25214	6.8
309.16971	4.2
313.27368	3.1
317.24570	3.1
335.25742	98.6
336.25931	2.7
407.24268	1.3
417.31235	1.7
421.25662	2.8
435.27203	3.6
435.32486	5.8
436.28204	1.4
453.33673	10.3
454.29099	1.9
461.28735	2.5
471.34689	4.7
475.30048	1.7
488.12494	1.4
498.01819	1.3
509.36313	3.5
527.37201	73.6
528.37476	5.1
545.38263	68.7
546.38599	3.6
559.39496	1.8
569.38135	13.1
611.38678	1.5
623.39404	2.5
635.39392	4.3
653.40363	1.8
671.40985	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	937.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	3.2
68.70105	0.4
69.03426	6.0
69.07064	1.4
71.01315	0.4
71.04987	0.6
71.08625	1.4
71.19379	1.2
72.70530	0.4
73.02908	5.2
79.05499	1.6
81.03395	2.7
81.07033	4.0
81.07440	0.5
83.04979	0.4
83.08607	1.1
85.02894	9.7
85.03391	0.6
85.10194	0.8
87.04467	0.7
91.03940	6.2
91.05490	0.9
93.07024	2.5
95.08585	3.5
97.02880	8.7
99.04442	1.5
101.02367	3.3
103.03912	0.4
104.99244	0.6
105.07023	0.7
107.08591	1.3
109.02889	1.4
109.10159	1.7
115.03917	0.8
121.10143	0.9
123.11687	0.6
127.03899	3.5
131.08546	0.5
135.11731	0.7
145.04968	0.8
185.04247	1.5
185.78012	0.5
203.05310	2.0
243.08356	3.5
253.26459	0.5
259.08041	0.5
268.99792	0.7
313.27429	1.6
317.72333	0.4
335.25864	0.9
347.09518	5.0
363.09064	1.0
365.10675	2.9
405.13647	11.4
497.30795	7.1
519.29266	10.8
609.48047	0.4
659.35834	5.2
659.45544	0.5
681.34406	8.8
775.53418	1.8
776.35364	0.5
884.03101	0.5
937.58453	100.0
938.58289	4.4
958.72034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.0
65.72404	1.6
67.05495	100.0
67.16605	1.6
69.03416	6.2
69.07059	16.8
69.16116	1.6
70.06578	4.6
71.04977	5.0
71.08585	1.6
71.70044	3.6
73.02888	3.6
76.55360	1.7
77.86600	1.8
79.05022	3.1
79.05480	51.4
81.03407	6.6
81.07043	64.3
83.04969	7.9
83.08590	16.4
85.02897	21.7
85.06521	3.5
87.04459	4.4
91.03928	7.0
91.05460	31.5
93.07030	48.8
95.04949	8.2
95.08590	48.6
95.09196	2.9
97.02871	10.4
97.06515	5.9
97.10149	19.1
99.08073	1.8
103.99897	1.6
105.07008	20.7
107.04943	3.3
107.08569	29.4
109.06487	3.1
109.10137	55.0
111.04440	3.6
111.08046	5.7
113.05910	1.9
117.06992	6.4
119.08575	16.8
121.10120	23.1
123.11680	6.0
124.50357	1.5
125.06023	1.7
125.09605	15.9
127.03911	2.3
129.06981	3.6
131.08551	14.0
133.10103	10.6
135.11670	14.0
137.09576	4.0
139.11197	2.0
143.08492	2.7
143.10663	2.1
145.04906	3.4
145.10123	14.0
147.08018	2.5
147.11606	8.8
149.02304	10.0
149.09618	3.3
149.13239	6.8
151.11131	2.3
157.10043	3.7
159.11653	7.5
161.13220	3.8
163.05956	1.8
163.11220	4.0
163.14877	2.2
171.11644	2.9
173.11707	12.7
173.13242	6.9
175.14771	2.7
183.11723	2.0
185.39758	2.1
187.14816	2.8
189.11082	2.4
191.10661	2.3
193.04922	4.1
199.13254	10.6
209.11665	3.0
227.12613	7.9
229.14308	42.5
241.14186	1.8
243.21085	4.6
245.13783	4.6
259.20551	3.5
261.22101	16.6
267.15857	3.8
283.15369	3.0
284.29468	1.8
301.16348	15.9
315.23059	3.9
317.24667	2.6
335.25751	70.0
336.26080	2.7
477.35730	8.9
489.35641	15.0
543.36456	8.4
561.37885	13.3
579.39453	2.1
669.83081	2.1
938.43744	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.546
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	36.5
69.03423	3.0
69.07054	12.6
71.04980	5.9
71.70087	2.5
74.91753	1.4
79.05476	41.9
81.03400	37.1
81.07040	41.1
83.04967	5.3
83.08616	13.3
83.50416	1.5
85.02873	8.5
85.06548	1.9
91.03924	3.6
91.05459	45.3
93.07027	39.3
95.04954	16.4
95.08582	23.2
97.02883	5.2
97.06514	5.1
97.10138	10.4
99.08093	2.3
103.05450	2.5
105.07004	37.5
105.42567	1.4
107.04942	5.8
107.08568	26.0
109.06507	6.2
109.10122	11.2
111.04388	1.7
111.08091	4.3
117.07001	15.3
119.08562	30.9
121.06471	5.3
121.10126	16.0
123.04472	1.8
123.08054	5.4
123.11697	3.6
125.09641	7.6
128.06195	3.8
129.06996	13.3
130.07718	1.6
131.08534	23.9
133.06480	4.2
133.10117	25.2
135.08034	5.1
135.11626	8.7
137.09586	2.5
139.03874	2.0
141.06934	2.7
142.07758	3.4
143.08543	11.3
145.04877	2.1
145.10098	18.7
147.08011	4.5
147.11653	17.3
149.09595	4.2
149.13254	2.9
155.08543	6.5
156.09357	1.9
157.10066	13.0
159.11667	15.0
161.09695	1.9
161.13193	7.3
163.05965	2.1
163.11122	3.1
167.08511	1.7
169.10136	7.5
171.08044	1.6
171.11646	11.4
173.09627	1.9
173.13240	7.2
175.11192	3.3
175.14882	2.0
181.10097	3.0
183.11702	6.2
185.13222	6.3
187.11215	2.6
187.14816	3.5
189.09193	1.5
189.11172	4.5
189.12743	3.1
189.16371	1.7
193.12193	3.8
195.11732	3.7
197.13194	4.1
199.11224	1.6
199.14775	4.3
207.11650	3.0
209.13239	2.6
211.14838	1.8
213.16338	1.8
223.10980	1.4
223.14877	2.0
225.16423	1.7
227.12704	4.9
237.16396	1.9
241.19536	3.1
249.41690	1.5
249.58098	1.5
259.20557	12.0
267.15869	12.4
269.89706	1.4
275.20175	1.8
283.20889	2.1
297.21890	1.7
299.23563	4.6
333.24231	8.7
415.29794	2.3
417.26413	2.2
421.25958	10.2
433.30618	7.6
435.27509	6.7
451.31754	7.1
469.33167	5.2
507.34433	4.4
517.35046	3.6
525.35602	44.9
531.35925	1.6
543.36688	100.0
544.36993	4.1
557.38342	9.1
575.39355	11.5
633.37384	3.4
651.38312	2.6
669.39679	4.4
687.40192	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	953.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01840	0.2
67.05492	8.4
68.99786	0.5
69.03417	8.1
69.07053	1.2
71.01344	1.8
71.04977	49.7
71.70448	0.4
73.02899	3.4
74.09737	0.3
75.04465	3.0
77.03923	0.3
78.73230	0.3
79.05479	6.8
79.05923	0.5
81.03403	5.4
81.07042	8.5
83.01348	0.4
83.04964	16.3
83.08618	1.0
85.02887	81.1
85.06525	10.2
86.03223	0.5
87.00809	4.3
87.04444	2.0
91.05459	7.8
93.07024	9.5
95.04946	3.7
95.08579	5.8
97.02875	4.1
97.06511	1.1
99.04438	3.8
99.08080	0.3
101.02382	0.3
101.06014	1.2
103.03945	1.5
103.05420	0.4
105.01842	7.0
105.02503	0.4
105.07009	11.2
107.04957	0.8
107.08571	6.7
108.74660	0.3
109.02856	7.1
109.06519	1.5
109.10128	7.5
111.04421	15.3
111.89209	0.2
113.02345	0.6
113.05978	1.4
115.03889	0.3
115.05452	0.8
116.06253	0.3
117.05495	1.3
117.06993	3.7
119.08559	5.9
121.06519	1.2
121.10119	10.3
123.04407	1.0
123.08057	0.6
123.11691	1.7
125.02345	0.3
125.05984	0.5
125.09607	1.5
127.03891	12.6
128.06145	1.5
129.01839	1.1
129.05457	21.8
129.06911	4.3
130.07741	0.7
131.07036	0.3
131.08540	8.3
133.06438	0.4
133.10104	10.2
135.04416	0.9
135.08018	0.4
135.11687	2.2
137.05952	0.8
139.03893	1.3
141.05505	0.2
141.06943	1.8
141.09076	3.6
142.07751	4.0
143.08534	11.1
143.09625	0.5
143.10599	0.6
144.09280	0.9
145.04927	3.4
145.10095	11.5
147.02878	1.0
147.06499	6.4
147.11656	18.7
148.12009	0.5
149.05992	0.7
149.09604	0.3
149.13231	1.9
151.03900	0.9
151.07533	0.3
151.11179	0.4
153.05447	3.0
154.07745	0.3
155.08519	3.6
157.04968	0.9
157.10094	21.6
159.02863	1.7
159.06525	0.9
159.11667	15.1
161.09590	0.4
161.13206	2.8
163.05995	1.7
163.07410	0.4
163.11140	0.9
165.05499	0.7
165.09044	1.3
167.08519	0.3
167.10672	0.9
168.09291	0.4
169.10091	3.5
171.02869	0.4
171.06499	2.7
171.11655	9.9
173.04456	1.2
173.13202	4.1
175.11115	0.5
175.14851	0.6
177.05463	0.3
177.12779	0.5
179.07016	0.6
179.08511	0.3
179.10629	0.3
181.04956	0.4
181.10112	1.0
182.10887	0.8
183.06500	0.6
183.11667	4.7
185.13228	3.0
187.05905	0.5
187.14783	1.0
189.03914	2.8
189.07637	0.3
191.07069	0.4
193.04871	0.6
195.06488	1.1
195.11700	1.1
196.12453	1.0
197.08208	0.3
197.13214	6.1
198.14056	0.6
199.14806	1.7
201.07605	1.3
207.11676	0.3
209.13197	1.1
210.14153	0.4
211.14763	4.6
212.15494	0.6
213.03918	3.8
213.07547	1.1
213.16408	1.0
215.05437	1.7
219.06549	0.4
221.08185	0.3
221.13260	0.4
223.14815	1.4
224.15524	1.6
225.16360	1.7
227.17896	0.4
229.19536	1.0
231.04961	4.7
231.08473	0.6
233.06522	1.3
235.14769	0.3
237.07506	3.6
237.16373	0.4
238.17143	2.2
239.09140	3.9
239.17969	0.5
249.05963	2.4
249.16368	0.6
251.17921	5.0
253.19467	100.0
254.19772	1.9
255.08580	2.6
255.21043	4.4
257.10104	1.7
263.17770	0.4
265.19485	0.9
269.13672	0.4
269.18954	1.0
271.20517	4.8
273.06012	1.1
275.07593	0.8
275.11179	2.0
277.05524	0.4
277.19601	0.5
279.21060	0.8
281.22617	2.2
283.24146	0.4
291.20996	0.5
293.12280	2.0
295.20456	0.9
303.21030	0.3
307.20441	0.4
315.10590	2.3
323.07309	0.3
341.08627	2.3
359.09647	3.1
363.23141	0.7
377.10672	2.3
377.28317	2.5
381.24142	1.1
393.27664	0.5
395.11768	0.5
395.24155	0.6
395.29364	10.1
396.29865	0.3
397.23715	0.3
399.25211	5.1
413.30316	0.4
417.26428	0.5
492.01300	0.3
501.24600	0.7
517.24042	0.4
519.25751	3.3
523.33899	0.4
541.34808	0.6
545.31006	0.5
647.30298	0.5
665.30719	0.6
811.36823	1.0
953.46130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	14.9
68.99757	0.4
69.03415	16.1
69.07046	1.5
69.91370	1.9
71.01337	2.6
71.04977	64.6
73.02889	3.2
75.04462	4.1
79.05473	7.2
81.03400	4.9
81.07037	8.5
83.04964	16.3
83.08596	0.9
85.02886	100.0
85.06525	3.6
86.03223	0.6
86.06055	0.6
87.00806	6.1
87.04452	3.4
91.05457	8.3
93.07024	9.0
93.07578	0.6
95.04945	9.1
95.08584	4.8
95.98927	0.3
97.02871	4.5
97.06525	0.9
97.10172	0.6
99.04431	4.1
101.06001	1.0
103.03931	1.0
103.05427	0.4
105.01141	0.4
105.01843	9.9
105.07005	12.1
107.04954	0.3
107.08570	6.7
107.09242	0.6
107.54490	0.3
109.02851	6.2
109.06505	0.5
109.10134	9.1
111.00774	0.4
111.04418	17.0
111.08074	0.8
113.02373	0.7
113.05980	7.6
115.03922	0.4
115.05438	0.7
117.05473	0.5
117.06998	4.5
119.08543	4.6
121.06427	0.4
121.10109	10.4
123.04432	0.5
123.11684	1.5
125.02356	0.6
125.05948	0.6
125.09611	0.7
127.03888	13.3
128.06190	2.3
129.01805	0.8
129.05450	39.9
129.06876	5.5
130.07721	0.4
131.08542	8.5
133.10095	10.8
135.04396	0.8
135.11644	2.6
139.03885	0.8
141.05415	0.3
141.06953	2.1
142.07761	5.2
143.08534	7.6
144.09314	0.8
145.04930	4.1
145.10098	9.6
147.02876	1.1
147.06491	8.5
147.11653	17.9
149.09612	0.3
149.13206	2.3
151.03914	0.6
153.05424	1.6
154.07816	0.3
155.08511	2.8
156.09261	0.7
157.04958	1.1
157.10095	28.0
158.10432	0.6
159.02881	1.4
159.11662	13.1
161.13226	2.8
163.06013	1.5
165.05479	0.6
167.08513	0.6
168.09288	0.5
169.04987	0.4
169.10095	2.7
171.02907	0.3
171.06483	1.6
171.11649	7.8
173.04448	1.8
173.13229	3.5
175.11107	0.4
175.14781	0.5
177.05460	0.5
179.10620	0.4
181.05003	0.4
181.10106	0.6
182.10907	0.6
183.06471	0.5
183.11624	4.3
185.13260	2.7
186.13873	0.3
187.05984	0.4
187.14864	0.9
189.03882	3.9
189.07523	0.6
191.07034	0.5
195.06482	0.6
195.11658	0.8
197.13210	4.8
198.13913	0.7
199.14870	1.2
201.07610	0.6
201.16432	0.4
209.08080	0.4
209.13246	0.9
210.14047	0.4
211.14810	3.9
212.15514	0.5
213.03911	3.6
213.07587	1.3
213.16399	0.5
215.05435	3.2
219.06590	0.4
223.14766	0.8
224.15570	1.0
225.16295	2.4
231.04955	7.2
231.08676	1.1
233.06508	6.1
237.07559	3.8
238.17210	1.1
239.09073	3.1
241.10674	0.8
249.06017	3.4
251.17863	3.2
253.19467	77.9
254.19836	2.3
255.08534	2.9
255.21037	2.5
257.10034	1.5
259.11847	1.4
269.19064	0.9
271.20505	8.4
273.06055	1.5
273.09818	0.5
275.07892	0.7
275.11279	1.5
283.21130	0.3
283.24213	1.4
285.06271	0.4
291.10846	0.5
293.12360	1.3
295.20425	0.5
313.21548	0.5
315.07339	0.6
315.10562	2.1
323.07190	0.5
331.76950	0.3
337.25009	0.4
341.08624	2.2
359.09674	3.8
361.11331	0.9
363.23297	0.7
365.28488	0.7
377.10767	3.5
377.28339	1.4
381.24048	0.6
395.11935	0.9
395.29370	3.2
399.25226	2.9
413.30600	1.0
501.24698	0.7
519.26184	1.5
645.35968	0.6
647.30115	0.5
661.35681	0.4
665.31512	0.4
789.40405	0.6
811.37445	1.5
909.48291	5.3
910.48102	0.5
923.46210	0.4
935.46362	2.5
953.47156	53.5
954.47510	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	953.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	19.7
68.99761	1.2
69.03417	97.6
69.07049	1.4
70.03744	0.6
71.01030	0.6
71.01347	7.1
71.04979	46.8
71.69191	0.8
73.02908	2.4
75.04463	2.6
77.65138	0.5
79.05473	7.9
81.03395	2.5
81.07042	10.4
83.04964	36.7
83.08609	1.1
85.02889	68.6
85.06518	4.6
87.00813	18.8
87.04454	5.7
91.05465	10.7
93.07021	9.0
95.04945	12.1
95.08579	5.3
97.02878	2.9
99.04449	4.4
101.06020	3.2
103.03883	0.9
103.05408	0.6
105.01848	20.8
105.07003	13.2
107.08573	8.7
109.02861	1.5
109.06515	1.2
109.10142	10.9
111.04421	49.6
111.08127	0.8
112.04778	0.6
113.05996	11.4
115.05450	1.0
117.06993	4.4
119.08568	6.9
121.06525	1.1
121.10126	12.4
123.04430	0.9
123.11688	1.4
125.05989	0.6
125.09737	0.5
127.03896	4.3
128.06241	1.9
129.05455	100.0
129.07011	5.8
130.05867	0.7
130.07756	0.7
131.08545	9.9
131.09460	0.8
133.10097	13.1
135.11636	2.5
137.05988	0.8
139.03896	0.7
141.06967	2.7
142.07762	7.8
143.08530	8.5
144.09351	0.9
145.04977	3.0
145.10095	12.3
147.06502	7.0
147.11662	17.7
148.12039	0.5
149.13232	2.8
153.05412	2.6
155.08488	2.9
156.09343	0.6
157.04994	1.3
157.10100	33.2
158.10464	0.8
159.06570	0.7
159.11649	12.5
160.51384	0.5
161.13196	2.7
163.05986	1.0
167.06992	0.7
168.09323	0.6
169.10129	1.8
171.06505	1.2
171.11681	7.8
173.04440	1.1
173.13268	3.5
175.06044	0.7
178.15431	0.5
179.07094	0.7
181.10130	0.9
182.10907	0.6
183.11621	4.1
185.13225	3.0
187.14812	1.0
189.07486	0.5
195.06543	1.0
196.12437	0.6
197.13197	4.8
198.13707	0.5
199.14854	1.2
209.13216	1.0
211.14775	2.8
212.15431	0.6
213.07622	1.4
215.05463	6.6
221.08026	0.8
223.14809	0.8
224.15607	1.5
225.16368	1.8
233.06516	39.9
234.07092	0.6
237.07541	0.5
238.17125	0.9
239.09082	4.6
247.08028	0.5
249.06149	1.5
251.17906	3.8
253.19476	79.7
254.19830	3.0
255.08554	2.3
255.20992	1.0
257.10138	4.4
259.11780	1.1
269.18979	1.1
271.20520	17.0
271.23419	0.9
272.20981	0.6
273.09619	2.3
275.11169	0.9
283.24240	1.9
309.11688	0.9
343.10263	1.5
361.11285	5.5
377.28333	1.7
379.12219	2.3
381.24225	0.6
395.29385	3.2
399.25195	1.5
413.30664	1.8
433.25784	1.4
439.60098	0.5
485.25317	0.9
503.26517	0.8
579.31317	0.9
588.07837	0.5
665.31458	0.8
811.37634	1.6
835.52753	0.6
909.47583	2.0
923.45654	1.1
935.46802	2.8
953.47192	72.3
954.47137	2.8
959.03113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6129
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	62.8
69.03413	3.0
69.07057	14.0
69.98807	3.2
71.04981	1.6
71.08602	0.7
73.02905	4.5
74.99929	0.5
76.99757	0.5
79.05481	41.3
81.03396	2.5
81.07043	63.8
81.58618	0.5
82.07362	1.0
83.04958	1.4
83.08604	7.4
85.02889	16.2
85.06515	1.4
91.03945	11.2
91.05466	30.0
92.75343	0.6
93.07030	50.1
94.07359	0.8
95.04967	4.6
95.08590	48.6
96.04461	0.8
96.08913	0.6
97.02882	9.3
97.06501	2.0
97.10162	3.5
98.20900	1.3
99.04462	0.9
101.06052	0.6
105.04506	0.9
105.06336	1.1
105.07018	21.5
107.04890	0.6
107.08575	26.8
109.06509	1.2
109.10138	21.3
111.08038	1.4
115.05421	0.7
117.06988	7.5
119.08564	18.6
121.06464	0.6
121.10123	21.0
123.08020	0.9
123.11677	7.8
125.09569	1.2
127.03885	4.3
128.06194	0.7
129.06981	2.3
130.07793	0.6
131.08554	12.5
133.10106	14.2
135.08040	1.1
135.11674	13.1
137.09589	0.7
137.13216	2.5
139.11200	0.7
143.08521	2.8
145.04944	6.0
145.10098	10.9
147.11681	10.6
149.09608	0.8
149.13246	10.8
151.11131	1.2
151.14775	1.9
157.10104	2.1
159.11658	7.7
159.25790	0.5
161.13220	7.3
163.06007	7.1
163.11115	0.8
163.14787	5.1
169.10129	0.9
171.11609	3.0
173.13225	8.2
175.14810	3.9
177.16383	1.6
185.13240	2.2
187.14806	3.8
189.16333	1.6
191.14165	0.8
199.14815	1.8
201.16397	1.3
213.16412	1.2
215.17857	1.9
217.19426	0.6
231.21025	1.4
241.19614	5.0
243.21037	6.4
259.20520	8.7
261.22101	19.9
263.23691	1.9
277.21661	0.6
279.23154	0.6
287.23633	0.6
289.21747	0.6
289.25162	0.7
299.23572	1.3
303.23303	0.9
313.24939	0.6
315.23178	1.3
315.26691	0.8
317.24731	3.6
333.24185	8.5
335.25751	100.0
336.26053	2.6
337.27307	14.9
369.31711	0.7
489.35910	1.2
503.42874	1.0
517.38831	0.8
521.43530	3.4
539.44281	1.4
543.40204	0.9
595.47131	17.8
613.48059	20.1
614.48267	0.8
619.04041	0.6
947.81281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6441
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71774	0.1
67.05493	1.3
67.05845	0.2
68.05016	2.2
69.03432	0.5
69.07052	1.8
70.02888	0.2
70.06589	0.7
71.04936	0.3
71.08617	0.8
71.20082	0.1
71.69987	0.1
72.04504	1.5
74.06017	0.4
79.18219	0.1
80.04998	0.4
81.07042	1.4
82.06583	0.6
83.04905	0.2
83.08607	1.5
84.04494	0.5
84.08100	0.2
85.10127	0.3
86.06012	0.4
87.04414	0.2
88.03901	0.1
90.05537	0.8
91.05418	0.2
93.07026	0.4
94.06553	3.3
95.04924	0.1
95.08599	1.3
96.08075	0.3
96.47081	0.1
97.10138	0.7
98.06058	0.6
100.07539	0.2
102.05466	0.2
107.08533	0.2
108.08033	0.3
109.10163	0.5
110.09619	0.1
111.11659	0.1
112.07568	0.2
116.07082	0.7
119.08519	0.2
121.10072	0.2
122.09618	0.2
123.11638	0.2
126.09097	0.2
139.03853	0.1
212.23697	4.2
213.23973	0.2
224.23781	0.1
226.25284	0.2
236.23619	0.5
238.25264	1.5
242.24718	0.7
250.25275	5.5
251.25528	0.2
252.26819	0.8
254.24754	0.7
257.48422	0.1
262.25293	2.5
263.25525	0.1
268.26270	0.4
270.27850	0.4
280.26303	4.4
281.26718	0.2
298.27353	14.5
299.27676	0.7
316.28406	100.0
317.28754	3.7
395.54083	0.1
419.29361	0.1
547.05298	0.1
667.00458	0.1
836.63629	0.1
869.46393	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	962.6026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.4
69.07056	9.4
71.08621	5.8
79.05473	6.4
81.03400	2.6
81.07036	9.6
83.04967	1.2
83.08595	4.8
85.02882	1.8
85.10181	3.4
91.05454	4.7
93.07030	5.4
95.04955	2.9
95.08591	7.1
97.02879	4.4
97.10159	4.0
105.07030	2.9
107.04932	1.5
107.08581	3.3
109.06499	1.2
109.10134	4.4
111.08046	1.0
117.07028	1.7
119.08567	3.4
121.10129	1.6
123.11642	1.4
125.09624	2.6
129.06914	1.3
131.08568	3.2
133.06421	1.1
133.10123	1.6
143.08493	1.0
145.10162	1.7
147.08031	1.1
155.46968	1.2
159.11641	1.0
193.12317	1.2
211.13316	1.5
223.13229	5.6
227.12814	2.3
229.41510	1.6
239.23804	1.5
257.24692	1.2
267.15677	1.5
273.18488	8.9
291.19461	41.3
310.07755	1.1
313.27307	66.9
314.27972	1.4
347.22202	2.8
365.23160	43.9
366.23767	1.6
372.00482	1.0
434.83881	1.0
483.36975	1.5
505.38663	1.9
523.39575	3.4
585.45044	3.1
603.46094	100.0
604.46356	3.5
736.21277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05138	1.6
67.05495	31.4
69.03418	5.2
69.07055	21.0
70.08935	4.9
71.04958	2.8
71.08241	1.6
71.08618	19.9
72.30727	0.8
73.02885	2.0
79.05022	1.4
79.05476	23.3
81.03406	6.8
81.07043	37.6
83.04973	4.5
83.08606	17.8
85.02884	8.3
85.06501	2.1
85.10171	10.2
86.81503	0.8
89.05973	1.0
91.03928	2.7
91.05468	17.5
93.07031	22.5
95.04968	4.4
95.07999	1.7
95.08591	25.8
97.02879	5.5
97.06510	9.8
97.09566	1.3
97.10153	12.5
98.20966	1.9
99.04430	1.7
103.05367	1.1
105.04574	1.0
105.07014	19.1
107.04933	4.0
107.08578	22.0
109.02856	2.3
109.06499	3.7
109.10136	15.9
111.08044	3.2
111.11704	1.5
117.06988	8.9
119.08569	12.9
121.06524	1.3
121.10114	8.1
123.08023	1.4
123.11668	3.8
125.09602	10.4
126.10293	1.4
127.03877	4.0
129.05391	1.0
129.06966	2.4
131.04944	1.1
131.08545	9.8
133.10097	12.3
135.08012	2.8
135.11670	5.7
137.09636	1.4
137.13205	2.1
143.08551	3.1
145.04955	2.2
145.06505	1.0
145.10100	11.5
147.11682	7.0
149.09605	10.7
149.13217	5.0
151.11162	1.1
153.09187	0.9
157.10120	1.9
159.11702	7.5
161.13239	4.1
163.05994	1.3
163.11140	5.3
169.10095	1.2
171.11662	2.5
173.04433	1.5
173.11772	1.0
173.13222	2.5
175.11182	1.3
175.14847	0.9
177.12741	2.5
179.14340	2.6
183.11665	2.4
187.11099	1.5
189.11174	5.1
195.13803	1.8
197.13283	1.4
227.12730	26.4
228.13216	1.2
229.14249	5.0
229.19447	2.3
239.17914	4.1
239.23682	3.4
247.20467	2.0
251.16270	0.9
255.15837	2.7
257.19019	7.6
268.29462	0.9
269.17386	9.2
275.20016	34.5
291.19858	1.3
293.20944	2.0
313.27313	100.0
314.27780	3.2
331.22607	5.7
349.23669	41.9
350.23901	1.7
367.24741	2.4
389.17789	1.2
408.02341	1.1
409.33160	2.5
458.58334	1.0
467.37167	5.0
483.36615	3.1
491.40656	1.9
493.38867	9.1
507.40375	42.4
508.41077	1.8
547.43164	3.8
559.46582	1.0
569.45575	1.3
587.46570	67.8
588.47028	4.3
605.47644	9.3
627.40771	1.7
650.22870	1.0
651.44141	2.1
749.51379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01828	0.2
67.05492	5.5
68.99775	0.6
69.03417	30.8
69.07063	0.7
69.51447	0.6
69.51875	0.9
70.03737	0.2
71.00974	0.2
71.01341	3.2
71.04979	17.1
72.45630	0.2
73.02886	0.9
75.04445	0.8
77.03916	0.2
79.05479	5.2
81.03397	1.1
81.07040	13.9
82.07368	0.2
83.04965	23.9
83.08604	0.4
84.05281	0.2
85.02889	22.3
85.06507	0.9
86.03200	0.3
87.00813	5.7
87.04442	1.5
91.05463	6.8
93.03407	0.2
93.07030	4.6
95.04949	5.2
95.08585	3.3
97.02885	1.6
97.06501	0.9
98.21452	0.2
99.04428	2.2
101.06007	1.7
103.03932	0.3
103.05453	0.4
105.01845	4.0
105.02507	0.3
105.04491	0.2
105.07011	6.5
107.04928	1.3
107.08574	6.5
108.84740	0.2
109.02889	0.5
109.06492	1.9
109.10133	1.7
111.04423	19.6
111.08079	0.7
113.02418	0.2
113.05995	1.5
115.03931	0.2
115.05423	1.0
116.06229	0.3
117.05531	0.3
117.06989	1.9
119.08554	2.7
121.02861	0.8
121.06486	1.7
121.10120	2.5
123.04404	2.0
123.08041	1.2
125.05987	0.8
125.09595	1.5
127.03909	1.1
127.07531	3.5
128.06226	1.0
129.05455	18.9
129.06885	2.1
131.08546	6.1
133.06462	0.2
133.10094	2.7
135.04433	0.4
135.08032	4.0
135.11717	0.4
137.05914	1.3
137.09589	1.0
138.06795	0.2
138.09055	0.2
139.03928	0.4
139.07504	1.0
139.11107	0.3
141.06963	0.9
141.09064	0.4
142.07758	1.8
143.08539	3.6
144.09309	0.2
145.04987	0.4
145.06483	0.3
145.10100	4.0
147.06508	0.9
147.08083	0.4
147.11659	1.8
149.05942	0.3
149.09590	5.8
151.07578	0.3
151.11183	0.3
153.05482	0.7
153.09082	7.5
155.08522	1.6
155.10600	0.2
156.09364	0.5
157.10100	8.0
159.08052	0.5
159.11678	2.2
161.05939	0.2
161.09683	0.6
161.13258	0.4
163.03938	0.2
163.06166	0.4
163.07494	2.0
163.11208	0.3
165.06993	0.3
165.09062	1.4
167.07184	0.2
167.08606	0.6
167.10722	0.6
168.09366	0.3
169.10109	1.4
170.10867	0.2
171.06561	0.3
171.07979	0.2
171.11661	4.1
171.13063	0.3
173.04407	0.3
173.09625	0.3
173.13280	0.5
175.11214	0.5
177.07530	0.4
177.09084	8.3
178.09708	0.3
179.08548	0.4
179.10698	0.6
181.08607	1.8
181.10123	0.6
182.11005	0.5
183.10184	0.6
183.11716	1.6
184.12473	0.3
185.13251	1.5
187.11194	0.3
187.14850	0.4
189.07637	0.4
191.10583	0.2
193.10071	0.3
194.10901	0.3
195.10184	2.0
195.11748	0.9
196.12523	0.7
197.11691	0.3
197.13280	0.8
198.14021	0.4
199.14862	0.3
201.12740	0.2
201.32063	0.2
207.11691	0.4
209.13200	0.8
211.11620	0.2
211.14758	3.1
212.15295	0.2
213.16347	12.0
214.16805	0.3
215.05437	1.8
215.14491	0.3
220.12642	0.3
221.13245	0.4
223.14838	0.4
225.12854	0.2
225.16406	0.6
227.14371	0.2
227.18008	0.6
229.15823	1.0
229.19556	0.3
231.11856	0.2
231.17363	0.9
233.06511	4.0
233.13188	0.2
235.14870	0.6
236.15546	0.2
237.12633	0.2
237.16441	0.8
239.09062	0.3
239.14270	0.2
239.18037	0.3
249.16489	0.5
251.15370	0.3
251.17880	1.7
253.15941	0.3
255.08987	0.2
255.17467	0.6
257.10080	0.2
261.10788	0.2
261.16360	0.2
265.19397	0.3
265.78262	0.2
269.19052	0.7
277.19397	0.4
279.21051	0.2
283.20459	0.2
293.19061	0.4
295.20566	0.4
297.22195	0.3
309.22305	0.4
313.21848	0.2
327.23172	0.3
361.11331	0.3
373.25241	0.4
391.26273	2.9
406.70547	0.2
409.27301	4.8
410.27536	0.2
427.28406	5.1
522.22614	0.3
555.33307	0.5
589.33563	0.5
717.38129	0.3
735.39667	0.6
745.38208	0.3
821.39771	0.8
867.40045	0.4
923.46136	5.7
924.46240	0.4
949.44385	0.7
967.45166	100.0
968.45526	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	969.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	8.0
68.99786	0.8
69.03418	93.4
69.07056	1.3
70.03741	0.6
70.06549	0.6
70.94460	1.3
71.01344	7.1
71.04980	40.1
73.02900	2.0
75.04459	2.8
79.05475	4.5
81.03384	2.3
81.07041	8.9
83.04965	41.6
83.08606	1.2
84.05297	0.6
85.02890	58.9
85.06508	1.1
87.00813	20.0
87.04456	5.3
91.05469	7.9
93.07040	8.0
95.04958	3.5
95.08576	4.6
97.02871	2.0
97.06506	1.1
98.20878	0.6
99.04437	7.3
100.55975	0.5
101.02449	0.5
101.06008	2.4
105.01845	20.8
105.07012	11.8
107.04948	0.6
107.08575	6.5
109.02881	1.9
109.06516	1.2
109.10130	10.2
111.04423	52.3
113.05991	2.2
114.76565	0.4
115.05447	1.0
117.05547	1.2
117.06985	3.7
118.28851	0.5
119.08569	6.0
121.06500	1.1
121.10126	10.3
123.04418	0.8
123.08042	0.6
123.11707	1.4
125.05923	0.8
125.09575	0.6
127.03893	4.8
128.06215	2.0
129.05457	98.0
129.07007	4.5
130.07776	0.8
130.84015	0.5
131.08545	8.3
133.10104	11.6
135.11682	1.5
135.69167	0.5
139.03867	0.7
141.05484	0.6
141.07040	2.2
141.09093	1.8
142.07750	5.7
143.08554	8.4
144.09303	0.9
145.04912	2.6
145.10101	9.6
147.06490	7.9
147.07727	0.7
147.07950	0.6
147.11659	18.6
149.05965	0.5
149.13266	1.0
153.05479	3.1
155.08472	3.0
156.09387	0.8
157.04955	1.3
157.10098	28.6
159.06499	0.9
159.11674	11.3
161.13268	2.1
163.06041	0.9
165.09134	0.6
167.08537	0.7
169.10075	2.7
171.06429	1.1
171.11652	7.5
171.13011	0.5
173.04443	1.8
173.13274	3.4
175.06038	0.8
175.11163	1.1
177.05537	0.5
179.06996	0.8
179.10721	0.8
181.04982	0.7
181.10074	0.8
183.11659	5.1
185.13206	2.6
187.14812	1.1
193.08549	0.7
195.06396	1.2
195.11664	1.1
196.12422	0.5
197.13229	6.5
198.13977	0.8
199.14819	1.4
203.05531	1.2
207.11690	0.5
209.13300	1.3
211.14821	3.5
213.07545	1.7
213.16298	1.0
215.05473	5.8
221.07977	1.0
223.14807	1.2
224.15553	1.1
225.16367	1.8
231.08592	0.6
233.06520	42.9
237.07510	0.7
238.17204	1.6
239.09084	6.7
249.06090	1.8
251.17934	4.3
253.19478	100.0
254.19746	2.4
255.08644	1.9
255.21111	1.4
257.10138	5.3
265.19580	0.8
269.19110	1.3
271.20517	24.3
272.20947	0.8
273.09668	2.7
275.07703	0.9
275.11209	0.7
279.21103	0.6
308.31277	0.4
309.11929	1.1
317.09015	0.8
327.23047	0.9
335.82330	0.4
343.10107	2.4
361.11246	8.5
363.23203	0.9
375.26547	0.7
379.12448	1.7
381.24197	0.7
393.27853	2.7
399.25287	1.8
411.28848	5.3
417.26547	1.0
429.29935	5.3
430.30261	0.5
433.25903	2.2
485.25385	2.1
537.31848	0.5
579.31427	1.3
631.31586	0.5
737.40717	0.9
811.36987	1.7
951.44781	0.8
969.46600	16.2
970.47180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	23.0
69.03417	100.0
69.07043	3.9
70.17798	6.0
71.01345	7.4
71.04979	40.5
73.02903	2.2
75.04462	2.1
79.05492	9.2
81.03403	2.2
81.07042	34.1
83.04964	47.5
85.02888	63.9
85.06526	19.0
87.00813	22.9
87.04447	4.9
87.05988	1.2
91.05460	10.4
93.07021	11.0
95.04952	24.0
95.08587	15.7
97.02877	3.2
97.06507	3.3
98.20766	1.3
99.04417	8.9
99.08057	2.3
101.05994	3.1
105.01857	16.4
105.07011	14.7
106.06388	1.0
107.04932	3.2
107.08578	7.3
109.02854	37.6
109.06516	5.4
109.10128	15.1
111.04424	57.3
113.05983	3.0
113.83868	1.1
115.07530	1.3
117.06984	4.2
119.08565	9.5
121.06519	6.8
121.10142	4.2
123.03504	2.7
123.04408	55.4
123.08065	8.8
123.11678	3.5
124.05193	1.5
125.05959	4.0
125.09602	9.5
127.03893	4.1
128.06213	2.4
129.05453	89.4
129.07010	4.5
130.07744	1.0
131.08545	10.0
133.10117	9.4
135.08034	3.4
135.11710	1.9
137.05962	4.0
137.09610	8.4
139.03909	1.1
139.11157	6.5
141.05429	1.5
141.06850	1.0
141.09081	13.8
142.07767	3.3
143.08527	6.9
145.04848	1.4
145.10120	10.3
147.06526	5.4
147.08022	5.2
147.11630	6.4
149.09596	4.5
151.11163	7.3
151.81961	1.1
153.05396	6.3
153.09102	2.0
155.08516	3.4
156.09283	1.8
157.04936	1.7
157.10104	20.5
159.11606	6.5
161.09601	4.4
161.13260	2.2
163.11139	2.5
165.09087	80.9
167.08556	1.3
167.10661	6.2
169.10127	5.0
171.11662	9.1
173.04527	1.6
173.13255	2.4
175.11113	1.7
179.10635	50.2
181.10068	2.5
181.12271	2.9
182.10803	1.6
183.10152	3.7
183.11713	4.9
185.13231	4.3
187.14793	1.5
196.12526	2.2
197.13219	3.1
199.14845	1.8
209.13261	2.4
211.14761	9.3
213.07463	1.8
213.13097	1.4
213.16347	32.9
215.05492	4.9
221.13034	1.3
223.14796	1.9
225.16335	3.7
227.17868	1.9
229.15865	3.7
231.17482	4.9
233.06529	28.4
234.06812	1.0
235.14670	1.3
237.07495	1.3
237.16396	2.2
239.09128	7.0
249.16417	4.3
251.17979	4.6
253.19574	3.0
255.08771	1.5
255.17204	1.7
257.10193	4.1
267.17386	3.8
269.18942	1.8
273.09756	1.9
277.19586	1.9
279.20990	2.8
285.18390	1.1
295.20367	1.4
297.22153	3.7
309.22263	1.3
315.23074	4.0
343.10178	2.2
361.11288	6.9
365.28290	2.0
375.26764	13.3
393.27795	45.6
411.28857	77.3
412.29022	2.6
424.95926	1.4
429.29938	45.5
573.34106	10.8
591.35034	10.1
719.39465	4.8
737.40918	2.9
805.39349	2.2
826.04858	1.5
900.77637	1.4
951.45630	33.0
952.44812	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	23.0
67.08254	1.2
69.03419	100.0
69.07062	4.2
70.83228	4.2
71.01343	5.5
71.04981	50.1
71.05376	2.2
71.97961	1.5
73.02885	2.1
75.04485	3.2
77.81972	1.4
79.05486	10.1
81.03396	4.1
81.07045	41.7
83.04966	60.2
85.02891	65.7
85.06533	18.7
87.00809	22.0
87.04456	5.3
90.02939	1.4
91.05479	11.4
93.07024	13.3
95.04402	2.1
95.04955	24.8
95.08590	14.1
97.02867	3.6
97.06523	4.2
99.04455	9.3
101.06013	3.7
102.44270	1.5
105.01848	20.4
105.07011	12.7
107.04948	1.8
107.08563	7.9
109.02859	39.7
109.06501	6.6
109.10134	16.6
111.04425	58.9
111.43427	1.4
113.06027	3.0
115.05402	1.7
115.07559	1.9
117.07002	4.5
119.08572	9.0
121.06494	6.3
121.10144	5.9
123.04412	54.4
123.08057	10.0
123.11670	3.7
124.05123	2.2
125.05980	5.0
125.09609	11.6
127.03906	6.8
128.06155	1.8
129.05460	97.3
129.07011	5.0
131.08553	11.2
133.10072	9.6
135.08015	2.5
135.11649	4.3
137.05956	3.9
137.09579	8.6
139.11174	6.2
141.09099	15.7
142.07782	2.8
143.08545	7.2
145.04982	3.4
145.10104	12.4
147.06538	4.7
147.08025	7.2
147.11621	7.3
149.05991	1.5
149.09627	4.1
149.13307	1.7
151.11153	8.2
153.05440	5.9
155.08533	3.1
157.04982	2.7
157.10089	18.3
159.11662	8.3
161.09625	4.2
161.13234	3.5
163.11122	2.6
165.09093	80.4
167.10686	6.9
168.09386	1.4
169.10121	3.9
171.06564	1.6
171.11661	12.2
173.09601	2.9
173.13248	2.2
175.11107	1.9
179.10646	52.0
181.12222	5.5
183.10165	2.8
183.11684	4.0
185.13290	5.4
195.11714	3.6
196.12433	2.2
197.13240	2.9
209.13261	2.8
211.14844	10.1
213.12958	1.5
213.16342	41.0
215.05457	5.4
215.14241	1.7
225.16377	2.3
227.17885	2.2
229.15797	5.3
231.17374	5.3
233.06535	29.6
234.06953	1.8
235.14728	1.7
237.16338	4.2
239.09146	6.7
239.17876	2.2
249.16467	3.5
251.17923	6.2
253.19495	5.9
255.08588	2.3
255.17342	2.1
257.10263	4.3
267.17419	3.1
269.18863	1.5
271.20724	1.7
279.21072	3.5
297.22128	3.5
315.22986	3.4
343.10355	2.8
361.11154	6.7
375.26849	16.0
393.27802	47.6
394.08926	1.6
394.28311	2.9
411.28891	91.6
412.29294	4.7
429.29907	48.0
429.35425	3.1
573.34448	9.4
591.35333	9.0
719.39069	4.6
737.39215	2.2
805.39600	4.1
951.45605	35.3
952.45544	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	969.467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	12.7
68.99770	1.7
69.03418	58.3
69.07051	3.1
70.06567	1.9
71.01349	6.2
71.04979	65.7
71.70301	1.3
73.02892	3.0
75.04463	5.0
76.02216	6.7
79.05482	8.6
81.03410	10.6
81.07039	14.6
83.04964	40.7
83.08604	2.2
84.04491	2.2
85.02888	92.8
85.06513	9.6
87.00813	15.5
87.04456	5.7
91.05454	13.2
93.07030	12.0
95.04959	7.2
95.08600	10.0
97.02872	7.2
97.06498	2.9
99.04445	7.2
101.05981	1.8
103.03936	1.0
105.01845	15.8
105.07013	15.8
107.04927	2.1
107.08561	11.8
109.02870	8.0
109.06479	7.8
109.10135	11.1
111.04422	43.0
111.08054	3.7
113.05997	2.1
115.05438	1.2
116.01646	2.2
117.05473	1.6
117.06992	4.8
119.08562	8.9
121.06463	1.1
121.10123	14.3
123.04394	2.8
123.08053	1.8
123.11676	1.2
125.05995	1.0
125.09614	5.1
127.03890	15.7
128.06180	1.4
129.05455	70.2
129.06845	5.2
131.08534	9.5
133.10106	16.1
135.08034	1.1
135.11687	3.5
137.05962	1.2
139.03870	1.5
139.07516	1.7
141.06947	1.9
141.09088	2.6
142.03148	1.0
142.07748	7.0
143.08540	9.3
144.01144	1.3
145.04939	3.6
145.10091	13.7
147.06508	7.9
147.11653	20.3
149.09599	2.6
149.13199	3.5
151.11131	1.7
153.05444	5.0
155.08504	4.4
157.04941	2.7
157.10092	33.3
159.02792	1.3
159.11674	20.4
161.09503	0.9
161.13225	3.9
162.02211	4.0
163.05983	1.6
163.11188	1.3
165.09120	2.8
167.07022	1.7
167.08501	1.0
167.10655	3.8
168.35269	0.8
169.04778	1.0
169.10135	4.6
171.02954	0.8
171.06506	3.1
171.11655	10.5
173.04489	2.1
173.05922	1.0
173.13228	5.2
175.11203	3.0
177.12755	1.4
179.04764	6.5
179.07143	0.9
179.14307	1.0
179.24004	0.8
180.05130	1.4
181.10057	1.5
182.10828	0.9
183.06458	1.6
183.11691	4.5
185.13275	5.7
187.14784	2.0
189.03973	1.4
193.12198	1.8
195.06482	1.5
195.11667	1.9
197.11545	1.2
197.13210	7.3
198.14035	0.8
199.14748	1.7
209.13193	1.7
211.14758	5.8
212.15488	1.6
213.03865	1.5
213.16382	3.4
215.05449	15.0
215.17969	2.4
221.08191	1.2
223.14761	1.7
224.15567	1.2
225.16399	3.3
226.17284	1.1
227.17868	1.1
229.19449	1.5
231.04945	3.9
233.06506	21.7
233.19037	0.9
235.14720	1.2
237.07605	3.3
238.17131	1.8
239.09082	6.2
239.18037	2.0
249.06070	2.3
251.17921	6.7
253.19481	100.0
254.19757	1.8
255.08618	3.1
255.21048	2.4
257.10181	4.1
265.19446	1.6
267.15802	2.4
267.21051	1.0
269.18982	1.1
271.20535	42.4
273.09497	1.8
275.11227	1.3
281.22577	1.6
285.22116	1.3
295.20462	0.9
297.22083	1.0
308.08990	11.4
309.09195	4.2
315.10800	1.8
341.08569	2.2
343.10373	2.0
359.09518	2.1
361.11102	3.4
375.26636	1.4
377.10675	1.9
377.28275	2.9
381.27997	1.7
393.28052	5.1
395.29446	4.0
399.25024	1.7
411.28900	13.2
413.30420	4.7
429.29901	8.0
433.25842	2.3
463.30524	1.7
464.30939	2.6
519.25629	1.2
557.34406	3.4
642.35693	1.3
658.52582	1.1
665.31995	1.2
805.39197	1.5
807.40100	1.5
951.45251	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	969.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	25.0
67.05845	1.4
68.99770	1.8
69.03415	100.0
69.07050	2.7
70.03757	0.8
70.06582	0.8
70.35618	2.9
71.01334	6.5
71.04978	44.4
73.02900	2.5
75.04453	2.7
77.03878	0.7
79.05475	10.1
81.03397	3.0
81.07040	38.7
82.07351	0.8
83.01308	1.1
83.04964	48.8
83.08596	1.4
85.02888	64.3
85.06522	20.2
85.07636	0.9
87.00806	19.2
87.04451	6.0
91.05453	11.7
93.07014	9.9
95.04948	23.3
95.08587	13.9
97.02869	3.9
97.06522	4.0
98.21418	0.7
99.04434	9.2
99.08083	1.7
101.06004	3.6
105.01844	20.2
105.07008	14.0
107.04927	1.9
107.08560	8.1
109.02856	39.9
109.06515	5.0
109.10130	17.2
111.04420	55.1
111.08081	1.2
113.05984	2.5
113.09585	1.0
113.60837	0.6
115.05455	1.1
115.07558	1.8
117.05478	1.2
117.06983	3.7
119.08552	10.0
121.06503	6.4
121.10117	5.5
123.04404	52.2
123.08028	8.4
123.11696	3.7
124.05153	2.7
125.05975	4.2
125.09606	9.0
127.03899	5.0
128.06206	2.7
129.05452	89.4
129.06992	5.7
130.07796	0.8
131.08539	11.6
133.06503	1.0
133.10101	9.0
135.04446	1.2
135.08018	2.9
135.11658	2.7
137.05948	4.3
137.09595	6.4
139.03825	1.0
139.07422	0.8
139.11145	5.8
141.05418	1.2
141.06956	1.7
141.09068	13.1
142.07762	3.0
143.08521	8.6
145.04927	2.7
145.10078	9.7
147.06522	5.2
147.07985	6.0
147.11664	6.4
149.09598	3.5
149.13245	1.7
149.14429	0.6
151.11150	8.6
153.05408	5.5
153.09055	1.0
155.08485	3.7
156.09293	1.6
157.04918	2.0
157.10106	19.1
159.06441	1.0
159.08014	1.3
159.11653	8.1
161.09593	3.3
161.13226	2.8
163.05989	1.2
163.11162	2.1
165.09084	72.8
166.09317	1.3
167.08498	1.0
167.10655	7.0
169.10089	3.3
169.12173	1.5
171.06479	1.1
171.11647	10.3
173.04366	1.1
173.09615	1.2
173.13248	3.0
175.11162	1.5
175.14793	0.9
177.05322	0.8
177.12700	0.7
179.10637	51.0
180.10834	0.8
181.10066	2.9
181.12175	3.8
182.10898	0.7
183.10101	3.3
183.11671	5.1
185.13222	3.9
187.14751	1.9
189.12726	0.8
191.10577	1.2
193.10071	1.4
193.12163	0.9
195.06544	0.9
195.11673	3.3
196.12433	1.5
197.13155	2.7
199.11237	1.0
199.14746	1.9
203.05368	0.7
205.10112	0.8
207.11670	1.3
207.13449	0.7
209.13225	2.9
211.11118	0.7
211.14775	8.9
213.07541	1.7
213.16338	35.2
215.05428	6.4
217.06898	0.7
221.07991	1.1
221.13170	1.2
223.14781	1.8
225.16341	2.5
227.14238	0.8
227.17848	2.5
229.15842	4.9
229.19598	0.9
231.17357	5.0
233.06520	28.3
235.14824	1.4
236.15540	1.0
237.07568	1.2
237.16464	3.0
239.09103	6.2
239.17932	0.7
245.19009	0.8
247.14647	1.2
249.06038	1.3
249.16512	3.2
251.17877	4.8
253.19385	4.0
255.08568	2.0
255.17343	2.4
257.10089	4.3
267.17474	3.2
269.18906	2.2
271.20480	2.5
273.09604	2.3
277.19470	1.6
279.20898	4.7
285.18326	1.1
293.22922	0.8
295.20377	1.5
297.22165	5.1
313.21579	0.8
315.23224	3.3
319.20428	1.0
325.09177	1.0
333.22040	1.1
337.25253	1.0
343.10065	2.9
355.26208	1.1
361.11221	7.1
365.28271	0.9
375.21915	0.9
375.26700	13.3
383.29285	1.7
393.27786	45.3
394.28384	1.0
411.28870	78.6
412.29071	1.8
429.29919	41.9
430.30365	1.7
444.72455	0.7
539.33673	0.8
573.34210	10.6
591.35126	9.8
701.37732	0.8
719.40143	5.1
737.40033	1.8
805.39453	3.0
933.43146	1.7
951.45667	29.4
952.44305	2.2
969.43213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	7.6
68.99775	1.3
69.03418	87.5
69.07054	1.2
70.03773	0.5
71.01341	6.3
71.04981	40.9
72.05308	0.4
73.02911	2.0
73.06528	0.4
75.04467	2.7
79.05478	4.9
81.03397	1.9
81.07043	8.8
83.04967	43.6
83.08583	0.9
85.02891	64.6
85.06520	0.4
86.03217	0.5
87.00813	20.7
87.04456	5.0
91.05460	7.3
93.07028	8.3
95.04957	5.8
95.08586	5.7
97.02868	2.4
97.06492	2.2
98.21439	1.0
99.04433	6.0
101.06023	3.2
103.03915	0.5
105.01852	18.5
105.07011	10.6
107.04901	0.5
107.08580	7.3
107.36526	0.3
109.02872	1.2
109.06506	5.4
109.10142	8.8
111.04424	49.9
111.08008	0.5
112.04784	0.4
113.02275	0.4
113.05976	3.0
115.05447	0.8
116.06205	0.6
117.05471	0.9
117.07011	2.5
119.08555	5.5
121.06461	1.3
121.10122	10.4
123.04436	0.6
123.08076	1.1
123.11686	1.5
125.05999	1.0
127.03890	4.7
127.07574	0.5
128.06187	1.6
129.05458	100.0
129.07005	4.9
130.05823	0.8
130.07774	0.7
131.08545	7.8
133.06462	0.6
133.10109	10.5
135.04364	0.5
135.07985	0.4
135.11638	2.2
137.05971	0.8
137.09633	0.3
139.03894	0.6
139.07541	0.5
141.05414	0.5
141.06949	2.3
141.09073	3.3
142.07753	5.6
143.08540	8.5
144.09315	0.8
145.04936	2.7
145.10101	10.1
147.06496	6.6
147.07707	0.6
147.11658	18.5
149.05965	0.8
149.09578	0.7
149.13214	1.6
151.03862	0.9
151.07523	0.6
153.05458	4.5
153.06752	0.6
155.08504	3.1
156.09299	0.6
157.04958	1.6
157.10101	27.6
158.10350	0.4
159.06526	0.6
159.11670	12.5
161.13210	3.0
163.06018	1.9
163.07330	0.4
163.11134	0.6
165.05423	0.6
165.09073	1.5
168.09351	0.4
169.10054	3.4
170.10857	0.4
171.06502	1.3
171.11664	7.9
173.04427	1.4
173.13240	4.2
175.06075	0.7
175.07503	0.5
175.11148	1.2
177.05345	0.5
177.09053	0.7
179.10683	0.7
181.04968	0.4
181.08542	0.7
181.10074	0.7
182.10857	0.8
183.06468	0.6
183.10141	1.1
183.11682	4.4
184.12335	0.4
185.13190	3.3
187.14787	1.1
193.08626	0.6
195.06528	1.1
195.10100	0.7
195.11705	0.8
196.12460	1.0
197.04417	0.6
197.13245	7.1
199.05927	0.5
199.14784	1.4
201.07289	0.4
201.16376	0.5
203.05460	1.4
209.13219	1.1
211.14781	4.2
213.07587	1.8
213.16330	1.0
215.05473	13.2
215.17839	0.6
220.10114	0.3
221.08047	1.1
223.14706	1.1
224.15540	1.6
225.07588	0.4
225.16336	2.5
227.17958	0.7
229.19470	2.3
231.04910	0.6
231.08646	0.5
233.06529	33.7
237.07547	0.6
238.17181	1.7
239.09102	5.7
240.68364	0.4
249.06007	1.5
249.88025	0.4
251.17955	3.5
253.19479	90.3
254.19865	2.0
255.08614	2.1
255.20982	1.4
257.10178	3.8
265.19458	0.4
269.18896	1.4
271.20523	39.6
272.20941	0.8
273.09705	2.2
275.07602	0.5
275.11252	0.5
281.22614	0.6
283.24258	1.7
299.07697	0.5
305.22589	0.8
309.11746	0.7
313.21378	0.6
323.23724	0.5
343.10156	1.4
361.11197	5.4
375.26700	0.9
381.23969	0.8
393.27823	4.9
395.29343	1.2
399.25180	0.7
411.28873	8.0
413.30414	0.7
417.26361	0.4
429.29962	10.5
430.29758	0.5
433.25684	2.7
485.25204	1.1
531.19952	0.4
573.34131	0.5
579.31494	0.7
591.35474	2.1
612.69208	0.4
665.31329	0.9
737.40503	0.6
951.44098	0.9
969.46191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	14.3
67.05846	1.0
68.99781	1.1
69.03416	49.5
69.07054	2.7
71.01337	3.4
71.04977	64.1
71.70165	0.7
71.70544	0.6
73.02898	3.3
75.04471	2.9
79.05474	7.5
81.03402	6.2
81.06547	0.8
81.07036	20.3
83.04964	33.6
83.08590	1.1
85.02886	100.0
85.06528	9.2
86.03222	0.6
86.06065	0.5
87.00810	11.4
87.04440	3.9
91.05459	10.2
93.07026	10.7
93.33947	0.4
95.04951	13.1
95.08585	10.1
97.02863	5.4
97.06538	2.3
97.10089	0.5
99.04432	6.2
99.08088	0.7
101.06008	2.1
103.03925	0.9
105.01849	13.9
105.07010	13.9
107.04941	1.1
107.08567	6.7
109.02853	23.1
109.06490	6.4
109.10125	12.4
111.04420	33.6
111.08064	0.7
113.02323	0.8
113.05972	2.6
115.03911	0.5
115.05429	0.8
115.07540	0.9
117.05465	1.3
117.06993	3.8
119.08553	8.1
121.06467	4.1
121.10114	7.7
123.04404	22.8
123.08049	4.3
123.11706	3.1
124.05253	0.6
125.05974	2.0
125.09615	4.9
127.03890	12.1
128.06204	2.0
129.01797	1.1
129.05452	56.4
129.06859	4.9
131.08539	11.7
133.06474	0.7
133.10104	11.1
135.04420	1.0
135.08017	1.2
135.11641	2.6
137.05940	2.7
137.09622	2.9
137.10539	0.4
139.03912	1.4
139.11165	2.4
141.05461	1.1
141.06967	2.1
141.09085	6.9
142.07736	5.3
143.08533	8.7
144.09286	0.6
145.04939	3.7
145.06024	0.5
145.06407	0.4
145.10097	10.9
147.02872	2.0
147.04416	0.5
147.06496	6.9
147.07924	3.0
147.11659	13.1
149.05948	1.3
149.09586	1.5
149.13246	1.6
151.03885	0.8
151.07539	1.1
151.11140	4.6
153.05414	3.9
153.09071	1.0
155.08537	3.4
156.09319	1.0
157.04953	1.7
157.10089	25.8
159.02884	1.1
159.06447	0.6
159.11665	11.8
161.09602	1.4
161.13261	3.2
163.05960	1.3
163.07385	0.5
163.11206	1.1
165.05455	1.0
165.09079	33.8
167.08533	0.8
167.10677	3.2
169.04909	0.7
169.10068	4.2
171.02940	0.6
171.06505	2.1
171.11658	9.6
173.04436	1.9
173.13223	3.2
175.07520	0.6
175.11142	1.0
177.12677	0.7
179.07097	0.7
179.10632	21.8
181.04941	0.6
181.08595	0.8
181.10126	1.3
181.12190	1.8
182.10942	1.1
183.10144	1.8
183.11679	3.6
184.12434	0.5
185.13196	2.9
187.14816	1.3
189.03906	2.8
191.07011	0.6
191.10545	0.5
193.08588	0.8
195.06525	1.1
195.10062	0.7
195.11694	1.7
196.12505	1.1
197.13222	5.3
199.11183	0.6
199.14803	1.2
203.05371	0.6
209.13211	1.5
211.14757	7.2
213.03908	2.9
213.07547	1.6
213.16338	14.8
215.05420	3.8
215.17906	0.9
221.13272	1.1
223.14709	1.2
224.15547	1.2
225.16321	2.9
227.17868	1.8
229.15930	2.8
229.19435	2.3
231.04910	5.7
231.08582	0.8
231.17400	2.5
233.06500	13.2
235.14812	1.5
237.07538	3.6
237.16376	1.0
238.17039	1.1
239.09082	5.2
239.17889	1.2
239.78519	0.5
249.05977	2.9
249.16295	2.8
251.17975	4.4
253.19466	62.6
254.19839	1.7
255.08644	2.7
255.17401	1.3
255.21117	0.8
257.10071	2.3
267.17392	1.6
269.18912	1.9
271.20529	13.2
273.06070	1.2
273.09610	1.3
275.11182	1.4
277.19528	0.8
279.20984	1.7
283.24191	0.7
293.12128	1.0
295.20450	0.9
297.22043	1.8
315.10605	2.0
315.23279	1.5
319.20377	0.8
341.08728	1.9
343.10223	1.1
355.26285	0.7
359.09656	2.6
361.11285	3.0
375.26779	4.9
377.10709	2.2
383.29483	0.6
393.27829	19.5
393.32883	1.0
394.28052	0.9
395.29337	0.8
399.25223	1.1
411.28860	36.2
412.29086	1.0
413.30386	1.0
417.26892	0.6
429.29929	22.1
519.25684	1.4
573.34149	4.3
591.35004	4.1
665.31799	0.6
677.34863	1.0
719.39996	2.2
737.40442	0.8
805.39563	1.1
811.36890	0.9
907.47052	0.6
951.45581	13.2
952.45099	1.0
969.47675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	8.1
68.02657	0.4
68.99776	1.4
69.03415	92.2
69.07050	1.2
69.74274	2.0
71.01340	7.9
71.04977	43.5
71.41080	0.3
72.05303	0.4
73.02905	1.7
75.04469	3.1
79.05476	6.6
81.03401	1.8
81.07034	8.9
83.04961	42.2
83.08595	0.5
85.02885	71.2
86.03236	0.5
87.00810	20.7
87.04449	4.7
91.05455	8.1
93.07018	7.9
95.04939	5.6
95.08590	5.0
97.02857	2.7
97.06509	2.3
98.21358	0.4
99.04444	4.7
101.05990	2.9
103.03940	0.8
103.05449	0.4
105.01842	18.1
105.07006	12.1
107.08570	7.8
109.02861	1.1
109.06496	6.5
109.10126	11.5
109.10868	0.6
110.15727	0.4
111.00780	0.7
111.04417	53.1
112.04737	0.6
113.05992	2.0
115.03914	0.5
115.05458	0.9
116.06218	0.4
117.05473	1.0
117.06978	3.5
119.08550	6.7
121.06474	1.3
121.10120	10.0
121.52827	0.4
123.04446	0.7
123.08031	1.4
123.11687	1.5
125.05936	0.6
127.03886	3.3
128.06172	1.9
129.05452	100.0
129.06992	4.9
130.05762	0.6
130.07722	1.1
131.08540	8.4
133.10104	12.0
135.04405	0.5
135.11649	2.2
137.05913	0.7
139.03853	0.6
139.07520	0.4
141.05394	0.3
141.06958	2.0
141.09085	2.2
142.07756	6.1
143.08527	7.7
144.09297	0.7
145.04967	2.0
145.05991	0.3
145.10094	10.8
147.06493	7.5
147.11652	17.9
149.05948	0.4
149.09657	0.6
149.13219	1.8
151.03856	0.9
153.05426	2.7
155.08525	2.7
156.09225	0.6
157.04929	1.7
157.10095	31.6
158.10468	0.7
159.11662	13.9
161.13249	2.2
163.05984	1.8
163.11122	0.5
165.09108	1.6
167.07005	0.6
167.08514	0.4
168.09308	0.6
169.10081	2.9
171.06506	1.1
171.11641	6.9
173.04430	1.3
173.13243	4.0
175.06030	0.4
175.11177	1.1
175.14835	0.5
177.05396	0.5
177.09070	0.5
178.84874	0.3
179.07011	0.5
179.08475	0.5
179.10625	0.7
181.08537	0.7
181.10074	0.5
182.10875	0.9
183.06638	0.4
183.10133	0.7
183.11601	4.3
184.12306	0.6
185.13263	3.4
187.05910	0.4
187.14793	0.7
193.08554	0.8
195.06514	1.2
195.11566	0.6
196.12393	0.6
197.13240	5.9
198.13960	0.6
199.14793	0.8
203.05475	0.9
209.13220	1.7
211.14781	3.3
212.15492	0.6
213.07538	1.1
213.16364	1.4
215.05455	18.5
215.17746	0.5
221.08018	0.8
223.14813	0.9
224.15500	1.3
225.16245	1.7
229.19437	1.8
231.08600	0.7
233.06514	35.7
234.06999	0.6
237.07587	0.7
237.16435	0.4
238.17116	1.7
239.09093	5.4
249.05972	1.0
251.17950	2.2
253.19466	82.4
254.19807	2.5
255.08659	2.1
255.21106	1.2
257.10187	3.8
267.21011	0.4
271.20505	33.9
272.20959	0.7
273.09662	2.1
283.24121	0.8
287.07639	0.5
291.10712	0.4
301.11679	0.9
305.22531	1.1
309.11761	0.8
325.09369	0.5
329.06494	1.0
333.97604	0.4
343.10101	1.6
361.11200	5.1
375.26566	1.0
379.12061	0.7
381.24374	0.6
393.27820	4.0
397.12790	2.4
399.24863	0.8
411.28799	5.3
413.30469	0.7
429.29895	8.2
433.25735	1.8
485.25241	0.9
503.26065	0.4
529.22827	0.5
553.35754	0.4
573.34430	0.5
579.30750	0.6
591.34985	1.4
665.31720	0.5
737.40320	0.8
811.36841	0.6
901.25415	0.4
951.44812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	5.9
69.07050	21.8
69.29594	3.7
71.68016	5.9
74.95133	3.9
79.05477	69.7
81.03389	5.3
81.07043	78.7
83.08582	16.7
85.02877	14.9
88.56995	4.1
91.03925	9.2
91.05465	75.7
93.07028	87.8
95.04937	11.0
95.08578	72.8
97.02872	8.1
97.06491	4.7
97.10146	4.9
105.07008	70.1
107.08576	44.8
109.06485	5.4
109.10141	23.9
117.07001	29.7
119.08562	61.6
121.10133	43.8
123.11671	12.4
128.06259	4.9
129.06969	12.5
131.08540	37.8
133.10107	50.4
135.11687	29.5
143.08521	15.0
145.10118	30.7
147.11664	35.0
149.13217	19.9
155.08426	5.0
157.10089	17.4
159.11638	26.7
160.39970	3.8
161.13229	29.1
163.05942	5.9
171.11632	14.7
173.13251	21.2
175.14769	8.0
185.13193	7.9
187.14795	7.1
194.83667	3.7
197.13148	6.6
199.14757	5.5
211.14905	4.0
231.20966	6.0
234.57925	4.7
239.17889	6.1
241.19545	27.9
243.21175	5.4
257.18915	11.7
259.20517	61.9
261.22107	17.1
315.23111	4.7
333.24179	47.4
335.25769	100.0
337.27271	6.7
426.35269	4.4
519.41754	6.4
576.97394	5.1
593.45233	15.4
611.46643	79.1
612.46338	4.9
701.46973	6.6
718.28345	4.5
762.79199	4.4
769.45264	5.6
864.53296	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	971.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99771	0.9
69.03414	12.1
69.07050	2.7
70.08930	1.3
70.09340	2.4
71.01330	1.9
71.04980	65.0
73.02908	4.8
74.83751	0.5
75.04454	3.9
79.05486	6.2
81.03400	11.2
81.07040	9.9
83.04967	17.6
83.08625	1.3
85.02890	100.0
85.06531	7.9
87.00808	9.4
87.04466	3.0
89.01814	0.6
91.05448	7.4
93.07030	9.8
95.04952	8.2
95.08589	6.7
97.02880	8.8
97.06519	2.4
97.10136	1.7
98.20755	0.7
98.21310	1.3
99.04430	6.6
101.05974	0.8
103.03899	1.6
103.05534	0.6
105.01849	10.3
105.07009	11.2
107.04956	1.5
107.08572	9.3
109.02861	12.9
109.06517	4.8
109.10140	9.9
111.04421	16.6
111.08043	1.0
113.05984	5.3
114.73872	0.6
115.03905	1.4
115.05409	1.2
117.01857	0.7
117.05476	2.2
117.06990	3.2
119.08551	7.2
120.92325	0.6
121.06495	2.7
121.10119	13.9
123.04366	1.4
123.08040	2.0
123.11684	1.7
125.02354	1.2
125.09580	1.4
127.03891	20.9
128.06207	1.5
129.01843	1.6
129.05457	23.6
129.06915	4.1
131.07018	0.8
131.08536	9.1
133.10106	13.3
135.04408	1.2
135.08083	0.8
135.11674	4.2
137.09602	0.9
139.03865	1.5
141.06943	1.4
142.07751	5.0
143.08542	10.9
143.10622	4.4
145.04967	5.1
145.10097	12.3
147.02841	1.7
147.06500	5.7
147.11662	19.9
148.11949	0.8
149.09573	1.3
149.13226	2.6
151.03864	1.1
151.07512	0.7
151.11174	1.8
153.01909	0.8
153.05399	3.1
155.08537	2.8
157.04929	0.7
157.10094	31.7
159.02882	3.9
159.06487	0.8
159.11673	16.2
161.13214	4.2
163.05986	1.8
163.11208	1.2
165.09077	1.4
168.09238	0.7
169.10139	3.2
171.02809	0.8
171.06493	2.0
171.11661	9.6
173.04425	1.2
173.13225	4.8
175.11087	3.0
177.05389	1.0
179.10638	1.0
181.10071	1.0
182.10884	0.6
183.06491	1.1
183.11670	5.1
185.13182	4.0
187.14809	1.1
189.03954	4.1
191.06966	0.8
195.06464	1.1
195.11633	2.2
197.13228	8.4
199.14841	1.8
201.07567	1.5
201.16338	1.1
209.13284	2.1
211.14830	6.3
211.45303	0.7
212.15326	0.7
213.03949	3.7
213.07454	0.8
213.16344	4.9
215.17911	1.7
223.14809	1.4
224.15544	2.0
225.16338	2.9
227.18025	0.9
229.19554	1.2
231.04991	6.3
231.08580	1.4
237.07494	4.2
238.17078	1.8
239.09038	4.0
239.17871	1.2
247.85272	0.6
249.06038	3.0
251.17909	2.7
253.19476	96.3
254.19894	4.8
255.08682	2.0
255.20999	3.1
257.10117	2.4
265.19583	0.7
269.19009	1.0
271.20514	38.2
272.20926	1.1
273.06137	1.4
275.11099	1.5
279.21158	0.9
281.22583	1.2
283.24167	3.7
291.20953	0.7
293.12225	2.0
315.10571	3.1
337.25256	1.6
341.08594	2.7
355.26315	6.5
359.09729	3.9
377.10803	3.0
377.28464	1.5
393.27692	1.8
395.12000	1.5
395.29388	16.2
397.30978	1.7
399.25250	1.9
411.28925	3.6
413.30435	32.7
414.30624	1.3
429.29553	0.7
431.31512	30.5
432.31653	1.5
501.24359	0.8
519.25800	6.1
541.35101	0.8
559.36011	0.9
574.56812	0.7
603.31238	2.3
643.33252	0.9
659.33655	2.3
661.35620	13.0
665.31506	3.0
677.35406	1.6
679.36780	10.2
749.36829	2.3
805.38776	2.2
807.41455	11.8
823.40375	1.6
825.42224	5.4
895.42584	1.4
953.47217	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	971.4826
Annotation	Anguivioside B
Peak:m/z	Relative Intensity
68.99780	2.7
69.03407	6.2
69.07056	1.9
69.96334	3.9
69.96758	1.4
70.06602	1.1
71.04977	39.5
73.02887	2.3
75.04462	1.4
77.02931	0.8
79.05474	6.0
81.03404	2.0
81.07040	9.5
83.04963	55.6
83.08617	1.2
85.02888	100.0
85.06525	8.6
86.09670	1.3
87.00810	19.2
87.04443	4.4
91.05463	6.1
93.07033	7.3
95.04947	5.7
95.08594	5.0
97.02873	1.6
97.06499	1.0
97.10149	1.2
99.04459	4.0
101.05994	3.4
105.01858	6.9
105.07018	8.4
107.04958	0.7
107.08572	6.7
109.02917	1.4
109.06504	3.2
109.10140	8.1
111.00800	4.3
111.04417	40.4
113.05964	5.6
117.07007	2.7
119.08577	5.3
121.06512	1.1
121.10117	11.1
123.04410	1.3
123.08060	1.4
123.11681	1.2
125.09580	1.3
127.03888	3.0
128.06218	2.1
129.05453	35.2
129.06862	3.9
131.08551	7.4
132.58516	0.8
133.10100	9.4
135.11676	2.4
141.06993	1.5
142.07756	3.3
143.03377	1.5
143.08563	7.9
143.10715	2.5
145.04976	1.2
145.10065	8.8
147.06512	1.7
147.11661	12.6
147.12730	1.2
149.09586	0.9
149.13226	2.1
151.03931	1.0
151.11201	1.2
153.05382	1.0
155.08519	1.6
157.04921	2.6
157.10091	26.9
159.11661	11.1
161.13220	1.9
163.11098	1.2
169.10059	2.4
171.03012	1.3
171.11661	7.8
173.13266	3.6
175.11157	3.0
183.11685	2.7
185.13255	3.1
187.14859	1.5
197.13264	4.8
199.14706	1.7
201.16422	0.9
211.14771	4.2
213.16400	2.7
215.05455	77.5
215.18024	1.0
216.05931	2.3
224.15550	0.8
225.16368	2.2
229.19559	1.0
231.04958	2.2
233.06509	46.5
234.06897	0.9
238.17055	1.1
239.09143	2.8
251.17824	1.9
253.19479	61.5
254.19885	2.4
257.10071	1.2
271.20502	41.9
272.20856	1.5
283.24261	2.3
309.11877	1.4
325.09073	1.1
343.10089	1.3
355.26132	4.4
361.11234	2.0
375.87094	0.8
377.28717	1.1
395.29355	10.0
399.24860	1.1
413.24854	1.8
413.30411	35.1
414.30588	2.2
431.31519	29.8
432.31711	1.6
433.25781	2.6
559.35626	1.1
573.77344	0.9
575.35608	5.0
593.36835	4.0
651.31366	0.8
665.31299	1.7
721.40729	3.3
739.41962	2.4
807.40820	3.5
866.23651	0.9
895.42712	1.0
905.83514	1.1
953.47449	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	974.6393
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05025	0.7
69.03409	0.6
69.07062	8.0
70.02938	1.0
70.06578	0.8
70.15498	0.3
71.01340	2.0
71.04975	0.5
71.08619	3.4
71.09865	0.8
72.04505	49.4
72.08154	0.6
72.48083	0.3
73.02941	0.3
79.05484	3.0
81.07042	7.6
82.06567	0.9
83.04962	2.4
83.08105	0.5
83.08604	8.4
84.04491	11.2
85.02891	8.8
85.10161	1.8
86.06052	5.0
88.03983	1.4
91.05467	1.0
93.07024	2.9
95.04948	0.6
95.08590	7.3
96.04482	0.6
97.02898	0.4
97.06506	1.2
97.10155	6.9
98.06062	0.6
100.03968	1.9
102.05531	2.5
105.07009	0.7
107.04958	0.4
107.08576	1.6
109.10152	2.9
110.06015	0.5
110.09677	0.3
111.04437	0.8
111.11699	3.7
117.07086	0.3
119.08556	0.8
121.10130	1.7
123.11688	1.2
124.07657	0.3
125.13244	1.0
131.08545	0.4
133.10127	0.4
135.11676	0.9
137.13313	0.3
139.03854	0.6
145.10120	0.4
147.11714	0.3
149.13219	0.6
165.09103	0.5
185.65190	0.3
212.23708	8.1
213.22105	2.8
226.25414	0.3
237.22144	0.3
238.25291	0.3
240.26787	1.5
242.24783	0.6
250.25342	2.3
251.23679	11.0
253.21593	0.4
254.24814	1.0
266.24713	2.3
267.23132	1.1
268.26315	22.7
269.26501	0.4
278.24747	3.7
279.23172	1.1
286.27286	1.5
296.22348	0.6
296.25793	20.2
314.26843	55.8
315.27188	0.8
332.27896	100.0
333.28183	1.8
389.26785	0.4
445.29355	0.8
463.30447	3.3
556.58124	0.3
704.56104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.6393
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	0.5
69.03414	0.9
69.07056	7.8
70.02935	1.2
70.06585	0.6
71.01329	1.9
71.04990	0.7
71.08614	3.4
72.04503	47.3
79.05473	2.5
81.07041	6.3
82.06564	0.8
83.04960	2.4
83.08604	7.0
84.04489	9.9
85.02887	9.2
85.10157	1.8
86.06051	4.9
88.03967	2.4
91.05473	1.0
93.07021	3.3
95.04943	0.6
95.08593	6.4
96.04482	1.0
97.02869	0.6
97.06508	1.0
97.10150	6.5
98.20651	0.8
100.03969	2.0
101.35949	0.4
102.05526	3.2
105.07018	0.6
107.08559	1.7
109.06508	0.4
109.10139	3.1
110.06059	0.5
111.04459	1.0
111.08048	0.6
111.11691	3.1
119.08549	0.6
120.08015	0.4
121.06525	0.4
121.10102	2.0
123.11714	1.0
125.13199	0.8
127.69370	0.3
133.10114	0.4
135.11681	1.0
137.13245	0.7
149.13251	0.5
212.23695	7.9
213.22127	3.4
213.24115	0.5
238.25403	0.5
240.26855	2.0
250.25279	2.6
251.23662	12.1
252.23720	0.4
253.21747	0.5
254.24709	0.9
266.24762	3.0
267.23132	1.4
268.26312	27.2
269.17499	0.4
269.26682	0.8
278.24744	4.7
279.23212	1.0
286.27530	1.9
295.16989	0.4
296.25787	22.9
297.26425	0.5
314.26840	73.5
315.05060	0.8
315.27267	1.8
332.27890	100.0
333.28241	2.3
436.04880	0.4
445.29562	0.5
463.30505	2.4
566.11365	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.587
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	6.3
69.06693	1.4
69.07055	22.8
69.60561	7.4
71.04964	1.2
73.02934	0.8
78.48847	0.8
79.05480	33.3
81.03410	4.4
81.07043	42.2
83.04967	3.9
83.08601	7.8
85.02876	3.8
85.06528	1.7
85.35674	1.1
91.03934	1.8
91.04929	1.4
91.05465	22.3
93.07030	34.4
95.04958	8.1
95.08588	26.8
97.02878	9.5
97.05915	0.9
97.06492	3.6
97.10148	12.3
105.06339	1.2
105.07008	16.8
107.04936	4.2
107.08579	18.4
109.06487	3.2
109.10138	12.4
110.16906	0.9
111.08059	2.1
115.05402	1.1
117.06995	9.2
119.04925	1.0
119.08562	12.3
121.06474	2.8
121.10130	13.1
123.08070	1.2
123.11673	3.0
125.09596	8.0
127.03902	1.0
129.06958	2.6
131.08533	9.3
133.06416	1.9
133.10120	7.7
134.07120	0.9
135.07982	2.2
135.11671	7.4
137.09583	2.0
143.08527	2.1
145.06451	0.9
145.10085	9.2
147.08015	4.1
147.11644	4.5
149.09639	1.9
149.13210	3.9
157.10072	2.4
158.21083	0.9
159.08011	1.0
159.11658	4.8
161.09593	2.5
161.13229	2.2
163.11192	1.2
163.14784	1.7
165.09183	1.1
171.11691	1.8
173.13232	2.8
175.11139	2.0
175.14835	1.5
177.12743	1.4
185.09523	0.9
187.14711	0.9
189.11174	3.0
193.12218	1.2
205.12131	1.0
223.13237	15.7
224.13486	0.8
227.12737	2.6
231.01923	0.9
243.20996	2.2
245.19055	1.5
249.14792	2.7
255.17384	1.1
261.19461	1.4
261.22086	8.2
273.18469	9.6
275.19794	1.4
291.19495	83.1
292.19919	4.0
306.71527	0.9
317.24695	2.7
335.25739	65.7
336.26129	2.6
347.22180	1.9
349.31122	0.9
365.23172	42.1
366.23352	2.3
465.10489	0.9
505.35165	0.9
527.37012	1.1
545.38434	6.1
607.43414	2.3
625.44531	100.0
626.44446	6.4
669.96094	0.9
984.55255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	7.6
69.07056	19.7
70.85632	2.7
70.85983	2.0
71.04986	1.8
78.87920	1.0
79.05482	29.2
81.03396	4.2
81.07043	32.6
83.04939	2.5
83.08601	8.3
85.02898	4.0
86.89394	1.0
91.03924	2.2
91.05467	21.6
93.07024	26.6
95.04948	9.1
95.08592	25.0
97.02872	9.0
97.06521	2.6
97.10155	10.6
105.07010	15.4
107.04942	3.7
107.08572	15.9
109.06506	2.3
109.10154	12.7
111.08045	2.4
117.07014	7.6
119.08568	12.5
121.06488	2.5
121.10121	13.0
123.08041	3.2
123.11684	1.8
125.09612	8.6
129.06999	3.4
131.08580	8.2
131.09421	1.5
133.06467	1.5
133.10110	7.4
135.08073	3.4
135.11656	5.8
137.09662	1.6
143.08531	2.9
145.06415	1.2
145.10092	7.4
147.08023	5.5
147.11684	4.3
149.09631	1.9
149.13242	4.0
157.10159	2.6
159.11670	5.0
161.09552	2.2
161.13272	2.7
163.11087	1.6
163.14975	1.3
165.09135	2.4
171.11678	2.4
173.11798	1.1
173.13284	2.3
175.11237	1.9
185.13356	1.0
187.14836	1.3
189.11215	4.8
189.42059	1.0
195.13808	1.4
197.49911	1.2
223.13255	16.4
227.12781	4.6
243.21136	3.1
245.18983	1.3
247.17197	1.0
249.14790	2.6
259.20557	1.1
261.22125	8.7
273.18457	11.5
291.19501	100.0
292.19907	3.0
317.24753	2.4
335.25760	68.9
336.26175	2.0
347.22253	2.7
365.23206	69.2
366.23499	2.8
392.55096	1.3
468.91428	1.1
479.34189	1.3
527.36841	1.4
545.37885	5.9
607.43097	2.3
625.44556	89.4
626.44757	6.0
643.44611	1.3
681.06512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6027
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45970	1.9
69.03427	2.0
69.07059	11.3
70.75035	4.3
70.75407	4.1
71.04972	2.3
73.08543	1.7
79.05479	30.8
81.07043	26.7
83.04963	2.2
83.08598	4.3
85.02885	8.5
85.06548	1.8
87.04458	2.0
91.03931	5.4
91.05457	29.7
93.07029	31.4
95.04933	5.2
95.08578	25.9
97.02881	5.4
97.06541	2.0
97.10172	4.0
98.20903	3.4
103.05556	2.2
105.07011	29.0
107.08577	19.4
108.68386	2.0
109.06470	1.7
109.10147	9.3
111.08034	2.0
117.07012	14.5
119.08559	22.5
121.10108	12.6
123.11694	2.6
129.06987	9.6
131.08560	21.9
133.10118	13.7
135.11673	6.9
141.06961	3.4
143.08549	11.7
145.10104	18.5
147.08061	2.0
147.11665	8.5
147.54442	1.8
149.13203	4.8
155.08551	7.8
157.10129	9.4
159.11627	12.9
161.13243	6.3
163.05910	2.5
166.07741	2.1
167.08528	3.6
169.10083	9.4
171.11642	10.1
173.13269	8.2
175.14778	4.3
180.78986	1.9
181.10191	3.7
182.10887	2.3
183.11691	10.1
185.13283	8.1
187.14784	3.9
195.11638	4.4
197.13127	9.9
199.14851	4.8
201.16345	2.3
209.13232	4.2
211.14798	3.6
213.16333	2.4
223.14867	3.3
225.16333	3.3
237.16304	3.7
239.17876	3.3
257.19058	3.1
259.20609	3.2
265.19711	2.3
283.20236	2.6
333.24344	2.1
351.26913	2.6
511.02002	2.2
517.40363	8.3
535.41248	6.4
541.38269	2.8
591.43506	7.8
609.45020	100.0
610.44745	3.3
722.48395	2.2
771.49915	6.5
777.06384	2.3
841.42737	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	988.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99760	2.3
69.03038	1.5
69.03416	26.2
71.01346	3.0
71.04980	44.7
71.41402	1.9
73.02913	4.5
75.04465	3.6
79.05474	4.0
81.03404	18.3
81.07041	6.4
83.01340	0.9
83.04964	38.3
83.08618	1.5
85.02889	100.0
85.06533	11.4
86.03235	0.9
87.00813	12.8
87.04440	2.8
91.05466	4.8
93.07024	6.7
95.04951	8.3
95.08595	4.5
97.02874	10.4
97.06512	2.4
97.88276	1.0
99.04425	8.2
101.05994	2.2
103.03913	3.5
105.01846	15.7
105.07008	6.6
107.04928	2.9
107.08575	4.3
109.02861	19.2
109.06503	1.4
109.10145	3.9
111.04423	43.5
111.11754	0.8
113.02342	1.3
113.05985	4.8
117.01800	0.9
117.05494	2.0
117.06973	2.2
119.08536	6.2
121.06485	1.8
121.10145	6.1
123.04408	4.0
123.08026	0.9
123.11680	1.2
123.13446	0.9
123.92582	0.8
125.02312	2.1
125.05981	1.5
125.09602	2.0
127.03890	25.5
129.01817	2.1
129.05457	28.4
129.06941	1.7
130.45645	0.8
131.08521	5.1
133.10088	7.5
133.96359	1.0
135.04384	2.4
135.11662	3.0
137.05923	1.6
139.03885	3.4
141.05396	0.8
141.06961	1.0
141.09048	2.1
142.07761	1.8
143.08543	6.2
145.04959	5.5
145.10118	7.8
146.08099	1.5
147.02832	2.0
147.06505	8.4
147.11662	13.7
149.05911	1.4
149.13237	3.9
151.03865	1.8
153.05453	7.7
155.08585	1.8
157.04942	3.1
157.10104	11.7
159.02881	2.9
159.06538	1.1
159.11671	12.7
161.13258	6.0
163.06035	1.8
163.07452	1.1
163.11194	1.5
164.09233	1.6
165.05428	1.7
165.09108	1.4
167.07016	1.6
169.04910	2.5
169.10110	1.9
171.02878	1.7
171.06488	3.6
171.11609	6.3
171.12932	1.0
173.04434	1.4
173.13297	4.8
175.11116	1.1
175.14833	1.0
177.05437	1.6
179.07076	1.0
181.04889	1.1
183.06552	1.3
183.11703	2.8
185.13182	2.5
187.14658	1.1
189.03882	7.2
189.07578	1.1
191.07088	1.3
195.06488	2.9
197.13229	5.1
199.14723	1.8
201.07489	1.9
211.14821	2.2
213.03883	6.4
213.07486	2.8
213.16386	2.2
215.05458	2.0
223.14709	1.8
225.16414	2.4
231.04927	8.1
231.08598	2.1
233.06535	3.5
237.07555	10.6
238.17191	1.2
239.09134	10.3
249.05988	3.2
251.17911	4.5
253.19476	57.4
254.19778	2.4
255.08636	7.1
255.21021	14.6
257.10172	5.7
271.20502	17.4
273.06049	2.5
275.07687	1.7
275.11157	5.9
279.20847	1.8
281.22601	13.9
291.21051	1.5
293.12241	8.3
295.20471	1.4
295.23831	1.0
315.10663	7.3
323.07578	1.1
332.60117	0.9
341.08643	5.9
359.09677	10.1
361.11319	1.6
377.10718	5.9
377.28241	9.4
395.11752	2.6
395.29376	44.8
396.29773	2.4
413.30435	17.4
448.84091	0.8
487.14090	1.4
501.25104	1.1
519.25739	7.6
541.35187	1.5
622.45282	1.0
661.35742	6.8
863.21002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86471	0.6
68.99776	2.3
69.03039	1.2
69.03419	24.9
69.07056	2.8
70.06575	0.9
71.01347	2.7
71.04980	48.7
71.69117	1.0
71.69511	1.1
73.02901	4.8
75.04475	3.5
77.03990	0.7
79.05470	4.8
81.03406	15.2
81.07036	7.9
83.04967	41.4
85.02889	100.0
85.06525	2.8
87.00810	14.3
87.04460	3.0
89.06026	0.8
91.05463	5.4
93.07030	8.3
93.40899	0.6
95.04957	12.5
95.08585	6.8
97.02874	12.1
97.06524	3.7
98.20853	0.7
99.04433	9.7
101.06016	1.1
103.03924	4.2
105.01849	13.9
105.07004	10.1
107.04944	1.9
107.08580	5.8
109.02863	18.5
109.06498	4.1
109.10143	6.7
111.04424	48.6
111.08005	0.9
112.04716	0.6
113.02357	1.8
113.05996	6.9
115.03930	0.8
117.05491	2.3
117.06996	3.1
119.08555	6.9
121.06467	3.5
121.10142	5.9
123.04404	2.9
123.08075	1.6
123.11678	1.3
125.02340	2.1
125.05966	1.8
125.09595	1.5
127.03898	26.9
129.01836	1.9
129.05458	28.3
129.07007	1.7
131.08563	5.5
133.06442	0.8
133.10118	8.4
135.04419	3.0
135.08040	0.9
135.11711	3.5
137.05968	1.6
137.09572	1.3
139.03851	4.0
142.07764	0.9
143.08519	6.0
145.04932	2.9
145.10101	7.4
146.08133	1.6
147.02885	2.7
147.04416	0.8
147.06480	7.4
147.08125	0.8
147.11653	10.6
149.05968	1.8
149.09651	0.7
149.13255	6.4
151.03931	2.7
151.07587	1.0
153.05426	9.8
155.08492	1.4
157.04951	4.0
157.10098	12.2
159.02859	1.8
159.06540	2.2
159.11665	10.1
161.13231	8.3
163.06030	1.6
163.11153	1.2
163.14845	0.8
164.09204	2.1
165.05464	2.1
165.09088	0.9
169.04976	1.0
169.10060	1.7
171.02919	1.9
171.06442	4.9
171.11627	3.9
173.04434	1.7
173.13248	3.3
175.11151	1.7
175.14795	1.9
177.05525	1.0
179.10574	1.3
181.04994	0.8
183.06467	1.7
183.11702	2.1
185.13216	2.0
187.06021	1.3
187.14845	1.3
189.03899	6.7
191.07066	0.8
193.04904	1.2
193.08641	0.7
195.06525	2.7
195.11768	1.1
197.13286	3.3
199.14825	2.3
201.07588	2.0
201.16377	1.2
204.95708	0.7
209.13187	1.1
211.14825	3.6
213.03986	5.6
213.07474	3.3
213.16339	3.3
215.05458	2.5
215.17911	4.1
219.06645	1.0
221.08060	0.9
225.16382	2.3
229.19673	0.8
231.02821	1.1
231.04953	7.7
231.08685	1.8
233.06477	5.0
235.14745	1.1
237.07533	9.2
239.09111	10.6
239.17908	0.8
240.09387	0.7
249.06053	2.8
251.17885	2.2
253.19472	40.2
254.19980	1.6
255.08644	6.4
255.20920	1.0
257.10159	7.7
261.05994	0.8
271.20520	10.2
273.06088	2.3
273.09601	1.5
275.08307	1.0
275.11237	5.5
281.22491	1.4
283.24182	5.2
293.12219	7.7
307.24252	0.8
315.10684	7.1
323.07886	0.9
325.25244	4.4
327.23151	1.2
341.08627	6.9
343.10327	1.5
343.26443	1.7
352.98001	0.7
359.09601	8.7
361.11340	4.0
365.28525	1.0
377.10818	7.4
377.28458	2.6
379.12820	0.7
395.12054	1.6
395.29416	28.3
396.29712	1.4
413.30457	49.5
414.30676	1.4
431.31653	4.9
487.14859	0.8
519.25885	1.8
541.35370	1.2
591.31274	1.2
643.34277	0.9
659.33893	4.5
661.35645	20.7
662.35938	1.0
789.39990	0.9
805.40375	1.5
807.41119	2.1
889.24152	0.8
935.46490	1.5
953.47186	17.6
954.47693	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	995.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	1.3
69.07071	3.1
72.18926	0.5
77.03905	0.7
79.05484	10.4
81.03400	1.7
81.06605	0.8
81.07041	10.6
83.04956	2.4
83.08591	1.4
85.02875	1.7
85.06557	0.5
91.05460	13.0
93.03356	1.1
93.07026	9.1
95.04956	3.9
95.08589	7.3
97.02879	1.4
97.06516	1.2
97.10162	0.9
97.26360	0.4
98.21078	3.1
103.05436	1.4
105.07019	9.1
107.04931	1.6
107.08584	5.9
109.02840	0.8
109.06498	1.0
109.10126	2.2
111.04427	6.0
115.05455	2.4
117.06989	3.8
119.08561	7.4
120.20992	0.5
121.02785	0.6
121.06493	1.0
121.10119	3.2
123.04404	7.6
123.08041	1.1
125.05974	0.5
127.03908	2.9
128.06213	1.2
129.06984	2.9
131.04903	1.8
131.08536	3.6
133.06456	1.3
133.10106	5.4
135.04393	2.8
135.11673	2.0
137.05952	2.0
137.09583	0.5
139.03874	100.0
140.04190	1.0
141.05434	1.6
141.06953	1.3
143.04858	0.9
143.08539	1.5
145.06461	2.1
145.10097	3.0
147.04385	2.5
147.07968	0.6
147.11664	2.6
149.05952	4.0
149.09619	0.8
149.13210	0.9
151.03885	27.4
151.07475	0.8
153.05457	8.8
153.06857	1.3
155.08517	0.7
157.06456	1.6
157.10123	2.1
159.04445	0.8
159.08023	0.8
159.11693	2.6
161.05957	9.2
161.13231	2.0
163.03880	33.7
163.07532	1.7
163.14830	0.6
165.05450	2.4
165.06914	0.9
167.07112	0.5
167.08527	1.4
169.04959	0.6
169.06476	1.0
171.08041	0.8
171.11630	1.6
173.05959	16.1
173.07462	0.9
173.13248	1.4
174.06354	0.5
175.03868	3.6
175.07481	3.0
175.14789	1.2
176.04689	0.8
177.05446	10.9
179.03365	1.1
179.07007	3.9
179.08586	1.3
181.04930	4.8
181.06477	2.5
181.10057	0.7
183.08070	1.2
183.11734	0.6
185.05891	2.4
185.13210	0.9
186.06697	0.5
187.03917	2.2
187.07506	9.2
189.05428	5.6
189.09175	0.5
191.03467	1.1
191.07002	2.3
193.04945	1.2
193.06573	0.6
193.08568	2.3
195.08038	1.8
197.05960	2.3
198.06671	0.6
199.07498	6.1
199.14832	1.0
200.04581	0.8
200.07990	0.6
201.05431	3.2
201.09006	2.8
203.06970	1.9
205.04927	10.8
205.08562	1.5
207.10117	0.6
209.05907	0.8
209.09648	1.0
210.06854	0.6
211.07454	4.2
212.08255	0.9
213.05467	3.8
213.08943	2.9
213.16257	0.5
215.07010	3.1
215.10600	0.9
217.04996	2.6
217.08549	1.4
219.06592	0.8
219.10117	12.1
221.09569	0.7
223.07501	2.4
225.09187	2.5
227.07022	2.3
227.10707	1.3
229.04932	2.4
229.08612	1.3
231.06454	0.9
231.10184	1.6
233.05920	0.6
235.06003	1.6
237.09123	0.8
239.06985	1.1
239.10661	1.2
241.05040	0.7
241.19490	1.5
243.06444	0.7
243.10126	2.2
245.11806	0.6
247.06003	1.9
247.13385	0.6
249.09100	1.0
249.12659	0.7
251.10579	1.2
253.12308	1.1
253.17793	0.9
257.11639	0.8
257.19022	1.5
259.20596	5.0
265.07059	1.1
265.12131	0.7
267.06470	0.7
267.13724	0.9
269.15338	1.3
271.13474	0.6
271.20609	1.1
277.21637	0.8
279.13535	0.6
281.15295	0.8
283.08224	5.0
283.13025	0.7
285.11249	1.1
285.14682	1.2
287.13055	0.6
287.16287	1.0
291.13794	0.6
293.15134	0.6
295.05991	2.8
295.13272	0.7
297.14755	2.0
301.09155	7.1
301.14377	0.9
308.06860	0.7
309.07498	1.0
309.14798	1.0
311.16232	0.7
313.07166	0.7
313.14471	0.8
315.15894	4.8
319.05835	0.8
321.07599	1.6
323.09158	0.6
323.16531	0.7
325.14249	1.2
327.15833	2.6
333.07382	0.9
333.24133	5.1
335.08984	1.4
335.25769	1.5
339.15927	2.2
341.17523	0.7
343.15515	0.7
345.17102	0.7
359.18491	1.7
363.14258	1.0
371.18613	0.7
389.19159	2.4
397.23825	1.2
399.17902	0.6
399.25085	0.7
413.19846	0.7
419.20703	0.6
421.16687	0.8
421.23700	0.9
435.18164	0.9
445.16541	1.1
447.17871	1.9
449.19461	0.7
463.17447	2.6
465.18948	2.3
481.18668	0.7
495.20700	0.6
527.24182	0.7
537.21228	1.2
539.22736	0.9
555.22217	0.7
567.33624	0.8
592.71295	0.6
629.37671	0.6
635.38965	1.4
647.39075	1.9
649.41089	0.6
659.39252	1.5
663.38770	1.0
665.40558	0.7
671.39417	1.5
675.30713	0.8
677.39740	2.2
681.39642	1.1
689.40521	1.2
693.32220	2.0
705.38037	1.0
723.38904	0.6
771.40460	2.1
779.40997	1.2
787.44470	0.7
797.42432	9.2
815.43500	16.0
816.43219	1.8
821.42291	0.6
833.43726	1.4
839.44519	0.9
840.43695	0.7
863.44513	0.6
923.44702	0.8
941.45886	0.7
996.85797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	1.7
71.69824	1.2
79.05478	9.0
81.03415	1.4
81.07044	9.1
83.03300	0.7
83.04958	2.3
83.08625	1.1
85.02871	1.0
89.01906	0.7
90.75791	0.7
91.05472	5.3
93.07040	6.1
95.04946	2.4
95.08588	6.3
97.02843	0.7
100.72620	0.7
105.07001	3.1
107.04910	1.6
107.08568	4.1
109.10117	2.9
111.04406	5.7
114.04773	0.8
115.05394	1.2
117.06970	1.6
119.08544	2.1
121.02829	1.3
121.06484	1.3
121.10115	3.1
123.04394	5.4
125.09667	0.9
127.03886	1.1
129.06995	0.9
131.04843	0.8
131.08519	2.2
132.66724	0.8
133.10068	1.4
135.04362	2.5
135.11673	1.2
137.05925	1.0
139.03871	100.0
140.04181	1.9
141.05396	1.1
141.06961	0.8
145.06487	1.3
145.10034	1.0
147.04372	1.4
147.11678	1.1
149.05949	2.7
149.13275	0.8
151.03885	7.5
153.05405	1.1
155.08435	0.9
157.06471	1.2
161.05937	5.5
161.13268	1.1
163.03874	34.7
165.05461	2.2
167.08566	1.0
169.06514	0.8
171.08076	0.8
173.05965	8.1
173.13199	1.2
175.03874	2.2
175.07530	1.6
176.04666	1.0
177.05435	8.6
179.03374	1.4
181.04979	5.9
181.06401	1.7
183.08040	0.7
185.05949	0.9
187.03868	2.7
187.07526	3.4
189.05428	3.3
191.06981	1.4
193.04887	0.7
195.08002	0.8
197.05878	1.4
199.07535	2.9
200.04599	0.9
201.05412	3.2
201.09108	2.6
203.06927	1.4
205.04936	13.4
211.07529	3.2
213.05409	1.7
213.09088	1.8
215.06874	1.4
217.04842	0.9
223.07587	1.9
225.09088	1.0
226.06183	0.9
227.07008	1.3
229.04918	2.6
235.05971	3.0
241.04803	1.1
247.05981	3.2
261.22101	1.6
265.07001	2.3
276.27240	0.7
279.13748	1.0
283.08203	5.6
285.14874	1.4
287.16306	1.8
289.14163	1.3
295.05981	1.7
297.14688	1.4
301.09164	9.1
303.15854	0.8
308.06738	0.9
309.07559	1.3
309.14905	1.0
313.07181	1.3
315.15881	5.3
323.09042	0.9
325.14163	1.4
327.15887	2.6
335.25714	23.3
336.25961	1.1
339.15530	2.0
341.17453	0.8
359.18649	1.2
389.19574	2.5
401.19446	1.2
421.16409	4.2
447.17773	4.7
463.17435	1.2
465.19012	9.3
503.20581	1.1
521.21393	1.8
537.20294	0.7
539.22675	3.7
555.33972	0.8
639.38757	1.0
649.40417	2.4
661.40411	1.6
665.39984	1.1
667.41669	2.7
679.41449	1.0
773.42010	1.7
799.44092	4.8
817.44342	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	997.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	0.8
69.07056	2.4
69.59183	0.7
69.59596	2.1
70.06578	0.3
70.82401	0.3
71.04984	0.5
79.05479	7.4
81.03416	1.1
81.07037	9.3
83.04964	1.6
83.08595	1.1
85.02876	1.0
85.06494	0.4
91.05455	5.5
93.03395	1.5
93.07026	8.1
95.04942	2.1
95.08583	7.2
97.02891	1.4
97.06508	0.5
97.10132	1.0
98.20807	0.9
103.05438	0.9
105.07001	3.5
107.04938	1.3
107.08572	4.0
109.02853	0.3
109.06544	0.4
109.10131	3.0
111.00750	0.3
111.04414	6.0
115.03947	0.4
115.05424	0.8
117.06981	1.3
119.04897	0.6
119.08553	2.5
121.02831	1.5
121.06480	1.0
121.10114	3.1
123.04404	5.5
123.08049	0.4
123.11667	1.0
125.09618	0.5
127.03873	1.1
128.06218	0.3
129.06973	0.9
131.04878	1.2
131.08566	2.0
131.27715	0.3
133.06383	0.7
133.10101	1.4
135.04381	2.8
135.07994	0.4
135.11681	1.7
137.05931	0.9
138.38853	0.3
139.03868	100.0
140.04192	0.7
141.05440	0.8
141.06944	0.8
143.08517	0.4
145.06451	1.2
145.10086	1.1
147.04362	1.4
147.11612	1.0
149.05943	3.2
149.09578	0.4
149.13199	0.8
151.03871	8.3
153.05415	1.4
153.06943	1.0
155.08514	0.5
157.06421	1.0
159.04311	0.3
159.11620	1.1
161.05951	5.6
161.13191	0.8
163.03868	39.7
163.07516	0.9
164.04218	0.5
165.05443	1.7
165.06871	0.6
167.08476	0.4
169.06387	0.7
171.08041	0.6
171.11682	0.4
173.05946	11.6
173.13269	0.7
175.03841	1.5
175.07538	1.5
176.04539	0.4
177.05429	6.9
179.03340	1.4
179.06895	0.4
179.08438	0.7
181.04898	5.8
181.06436	1.3
181.10109	0.4
183.08023	1.2
185.05945	1.4
187.03874	2.2
187.07475	5.9
187.14757	0.4
189.05432	2.4
189.09085	0.4
191.07019	0.8
193.05008	0.8
193.06505	0.3
195.07988	1.1
197.05890	1.4
198.06676	0.4
199.07513	4.5
200.04541	0.4
201.05437	2.9
201.09128	2.4
203.06990	0.9
205.04903	12.7
207.07924	0.7
209.05887	0.6
209.09460	0.3
210.06647	0.6
211.07521	2.8
213.05508	1.4
213.09056	2.3
215.06963	1.3
215.10591	0.3
217.04951	1.5
219.06337	0.8
220.08615	0.4
221.09517	0.5
223.07515	1.1
225.05385	0.3
225.09012	1.4
226.06175	0.4
227.07031	1.4
227.10661	0.6
229.04910	2.7
229.08403	0.5
231.06108	0.3
235.05830	2.3
235.11237	0.6
237.09035	1.0
239.06961	0.4
239.10660	0.4
241.04884	0.8
243.20961	0.7
247.05811	3.1
249.09100	0.3
249.12856	0.4
251.10857	0.5
253.11824	0.4
257.09634	0.4
259.20505	0.9
261.22116	1.9
263.06879	0.4
265.06989	1.6
265.12183	0.4
267.13660	1.2
269.15259	0.4
271.05902	0.7
279.13989	0.3
283.08163	5.4
283.12949	0.4
285.14703	0.8
287.16132	0.6
289.14166	0.6
293.07980	0.4
293.15192	0.5
295.06052	1.9
297.07379	0.7
297.14764	1.3
299.16248	1.1
301.05746	0.6
301.09106	10.3
301.14188	0.5
308.06616	0.6
309.07306	1.2
309.14728	0.6
311.08932	0.4
311.16144	0.4
313.06876	1.0
313.14093	0.6
315.15912	4.5
317.07837	0.5
321.07391	1.1
321.14548	0.4
323.08987	0.5
323.16284	0.6
325.14221	1.2
327.15909	2.5
329.17346	0.4
333.07370	0.4
333.24228	0.7
335.08945	0.9
335.25742	19.7
336.26035	0.5
337.10550	0.4
339.15851	2.2
341.17365	0.7
359.18427	2.1
371.18420	0.6
387.17889	0.4
389.19568	2.4
399.18137	0.5
401.19440	1.5
413.19312	1.0
419.20325	0.3
421.16428	2.8
445.16083	0.4
447.17969	4.5
463.17157	0.6
465.12732	0.4
465.19037	5.4
471.17365	0.5
495.19910	0.6
503.20029	0.5
521.21173	1.3
531.19604	0.4
539.22449	2.3
557.23468	0.4
581.35730	0.4
587.22943	0.4
599.36755	0.4
619.38892	0.9
639.38501	0.7
647.38812	0.5
649.40790	3.1
661.40356	1.7
665.39148	1.0
667.41547	0.5
673.40057	1.1
677.40564	0.5
679.41113	1.0
683.39935	0.6
691.41895	0.7
755.40350	0.4
773.41693	1.3
781.41791	0.6
799.31586	0.4
799.43848	4.0
817.44818	2.8
865.43286	0.5
883.42255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	0.8
69.07044	1.4
70.25908	1.5
70.26329	0.9
79.05475	5.9
81.03403	0.9
81.07047	6.6
83.04967	1.5
83.08595	1.8
85.02908	1.0
91.05460	4.3
93.03390	0.6
93.07037	5.5
95.04961	1.7
95.08594	6.0
97.02840	1.0
97.06497	0.4
97.10131	1.0
98.20715	0.4
103.24509	0.4
105.06995	2.6
107.04962	1.0
107.08573	2.6
109.10138	3.0
111.04421	5.8
115.05456	0.4
117.06993	1.8
119.08569	1.6
121.02843	0.9
121.06512	0.6
121.10125	2.4
123.04417	4.5
123.11686	0.9
127.03886	1.2
128.06247	0.4
129.06979	0.9
131.04938	0.7
131.08557	1.6
133.06459	0.7
133.10106	0.8
135.04399	2.3
135.11670	1.9
137.05931	0.9
139.03876	100.0
140.04163	0.6
141.05429	1.0
141.06987	0.7
143.08502	0.4
145.06470	0.7
145.10112	0.8
147.04393	1.1
147.11688	1.3
149.05923	2.9
149.13216	0.5
151.03876	7.5
153.05438	1.3
153.06921	1.2
155.08476	0.7
157.06496	0.7
159.11655	1.0
161.05930	4.0
163.03882	30.1
164.04230	0.7
165.05443	1.3
167.04843	0.4
169.06436	0.6
173.05963	8.1
173.13347	0.5
175.03908	1.5
175.07523	1.8
177.05450	6.5
179.03346	1.1
179.06918	0.4
181.04922	5.3
181.06473	1.2
181.09999	0.4
183.08066	0.5
185.05969	1.2
187.03850	1.7
187.07556	4.4
189.05414	1.6
191.07019	0.5
193.04958	0.5
193.12181	0.5
195.08032	0.6
197.05901	1.2
199.07489	3.6
200.60750	0.4
201.05435	2.4
201.09010	1.0
203.06985	1.1
205.04924	11.6
211.07545	2.0
213.05432	1.7
213.09067	1.9
215.07014	1.4
217.04984	1.9
219.06377	0.5
223.07544	1.0
225.09074	1.2
226.06268	0.5
227.07074	1.0
229.04950	1.9
235.05960	2.4
239.07025	0.6
241.04964	0.5
243.21101	0.6
247.05896	2.5
259.20538	1.2
261.22067	1.7
265.07068	1.5
267.06528	0.5
267.13632	0.5
269.15451	0.6
273.21976	0.5
275.07065	0.4
283.08200	5.5
285.14777	0.8
287.16321	0.9
289.07410	0.5
295.06049	1.6
297.14917	1.0
299.16583	0.8
301.09094	9.6
301.14383	0.6
308.06619	0.8
309.07477	0.9
309.14890	0.6
313.06992	1.4
313.14221	0.6
315.15930	3.8
317.08041	0.7
321.07584	0.5
323.16272	0.7
325.14310	1.3
327.15802	2.5
333.24261	1.0
335.09119	0.7
335.25735	18.5
336.26010	0.8
339.15869	1.8
341.17578	0.6
351.20169	0.4
357.16794	0.5
359.18393	1.4
389.19583	1.8
399.25391	0.7
401.19424	0.9
401.43057	0.5
413.19647	0.8
419.20660	0.6
421.16415	2.8
447.18069	4.6
465.19040	5.9
495.19522	0.8
513.19403	0.7
521.21490	1.3
531.19989	0.5
539.22803	2.2
572.67358	0.5
649.40747	2.2
661.40576	2.0
665.39502	0.5
667.41980	1.2
673.40332	0.8
677.40155	0.8
679.41705	1.0
691.41736	0.6
755.40656	0.8
773.41968	1.8
799.44043	4.0
817.45026	3.2
865.44135	0.6
883.45013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	64.9
71.04886	1.7
71.53513	1.5
72.99192	6.7
73.02818	26.1
75.00747	3.8
81.03333	3.4
83.01256	11.8
83.04897	2.3
85.02821	44.3
85.99957	3.0
87.00750	28.1
87.04398	4.1
89.02316	45.6
91.60505	1.2
91.84498	1.2
93.03343	1.9
95.01264	5.1
96.95892	1.9
97.02827	10.3
99.00771	4.8
99.04395	49.9
101.02325	56.7
102.02599	1.3
103.03903	13.2
108.02100	1.1
109.02849	4.2
113.02334	29.0
114.02660	1.5
115.03896	5.3
116.35801	1.3
119.03387	19.5
124.01503	1.9
125.02335	20.1
127.03902	9.4
131.03383	8.8
135.04445	1.8
137.02322	3.9
143.03383	20.2
145.04984	7.7
149.02301	1.3
150.03165	1.5
151.04013	1.5
161.04451	3.8
161.05823	1.4
163.06038	20.0
173.04446	2.0
179.05536	2.9
205.07092	16.6
211.59982	1.5
233.06635	1.6
247.08240	7.6
289.09534	2.6
369.02582	1.3
396.52054	1.2
413.96805	1.5
589.36499	1.4
595.31165	5.6
621.32880	4.0
677.35388	4.0
695.36499	43.2
696.36621	7.9
723.36780	3.1
733.37646	1.9
735.39697	1.8
741.36743	7.2
742.38300	1.8
749.37415	2.3
751.39148	5.7
752.40540	1.8
753.40839	8.4
767.37878	1.6
769.39917	4.9
783.38550	1.5
795.42151	6.1
823.41370	25.7
824.41388	5.4
839.41034	1.5
841.42328	100.0
842.42487	24.2
879.43524	6.0
880.44818	2.3
881.45172	11.9
882.45410	2.8
883.43292	33.3
884.43481	8.8
897.44879	20.6
898.44769	5.2
899.46436	23.7
900.46368	5.6
915.45862	21.7
916.46246	6.8
939.45947	6.1
941.47522	37.6
942.47552	12.1
957.47314	16.3
958.47253	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	1001.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38116	1.7
69.38527	3.0
70.29622	0.7
71.01254	54.6
71.04850	0.7
72.98826	0.8
72.99184	6.3
73.02450	1.1
73.02821	14.0
75.00751	1.0
80.22752	0.6
81.03336	3.2
83.01256	7.4
83.04889	0.9
85.02824	50.5
85.99960	2.5
86.03154	1.3
87.00230	1.3
87.00748	21.8
87.04391	4.9
89.02314	42.7
93.03313	1.0
95.01264	4.6
96.95888	0.7
97.02830	6.2
98.19833	1.3
99.00761	3.4
99.04400	4.3
101.02322	45.2
102.02600	0.7
103.03882	10.5
107.04899	2.4
109.02868	3.5
111.00758	1.4
113.02332	30.5
115.03901	4.2
119.03388	16.4
121.02806	0.7
122.03647	1.0
125.02341	6.7
127.03896	10.6
131.03398	9.9
134.30583	0.9
135.04457	1.5
136.01556	0.9
137.02307	3.5
143.03413	19.2
143.04495	0.6
145.04985	4.6
149.02318	1.9
149.04442	1.4
150.03159	4.4
151.03911	1.5
161.04437	3.4
163.06032	15.8
165.01855	4.8
165.05435	2.9
166.02568	2.0
173.04443	1.7
179.03435	2.4
179.05510	1.9
180.04170	2.0
181.04973	3.1
187.06183	0.9
191.05551	0.9
195.06570	4.2
205.07108	10.8
225.07669	1.6
233.06557	3.1
247.08182	3.6
273.11346	1.4
287.20248	1.3
289.09424	1.2
355.23065	0.8
365.07718	0.7
366.29156	0.7
371.16357	0.7
373.23819	0.9
383.22449	1.0
417.15494	2.2
499.27396	0.8
535.29132	1.8
595.23218	0.7
595.31329	4.2
663.33661	6.3
664.33984	1.1
664.73102	0.7
681.34894	66.2
682.35419	10.7
723.35663	6.4
724.36041	0.9
741.37396	1.1
751.39063	5.1
769.40149	18.9
770.40381	4.3
797.39441	0.9
809.39679	30.7
810.40167	6.3
827.40692	63.7
828.41028	13.1
839.30481	1.4
869.41803	21.7
870.41748	5.0
879.43817	5.0
880.44232	1.4
897.44775	17.6
898.45502	3.7
899.46393	0.8
915.45935	100.0
916.46277	24.6
916.60095	0.6
957.47058	18.3
958.46887	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	1001.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	28.3
71.04884	0.5
72.12605	0.4
72.99166	2.7
73.02821	8.8
75.00723	0.5
80.57896	0.4
81.03336	2.0
81.94778	0.5
83.01260	3.3
85.02826	18.3
85.99969	1.4
86.03173	0.5
87.00752	9.5
87.04385	1.8
89.02317	21.9
89.19287	0.4
90.02689	0.5
95.01251	1.7
97.02845	3.1
98.19746	0.8
99.00767	1.5
99.04397	1.7
101.02325	20.8
103.03885	4.3
109.02844	1.5
111.00742	0.6
113.02335	15.2
115.03906	2.2
119.03387	7.9
125.02356	3.8
127.03899	5.1
131.03380	3.8
131.06995	0.4
143.02361	0.7
143.03410	9.0
145.04942	2.2
149.04396	0.5
161.04494	1.7
163.06026	7.7
179.05554	1.4
205.07059	3.3
233.06599	1.1
247.08191	1.3
289.09488	0.8
534.84912	0.4
541.31580	0.6
607.35120	1.0
657.41388	0.5
735.39648	1.7
753.40674	50.1
754.40820	9.1
795.41797	1.6
845.43890	0.5
863.44299	1.0
881.45490	19.1
882.45520	5.5
899.46478	100.0
900.46869	24.1
941.47455	20.4
942.47675	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	1001.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59901	2.6
71.01254	40.4
71.17650	0.4
72.01582	0.8
72.99184	4.1
73.02815	15.5
75.00743	1.8
79.44145	0.4
81.03319	1.5
83.01261	5.4
83.04903	0.8
85.02824	24.0
85.99985	1.1
86.03155	0.4
87.00751	14.0
87.04391	4.7
89.02316	29.2
95.01266	3.3
96.78360	0.4
97.02830	6.5
98.20563	0.6
99.00758	2.4
99.04379	1.6
101.02325	37.0
102.02708	0.8
102.35944	0.5
103.03889	9.4
109.02813	1.3
111.00713	0.6
112.01538	0.6
113.02329	21.1
115.03903	3.8
116.92735	0.8
119.02592	0.9
119.03393	11.7
124.01532	1.9
125.02339	18.9
125.03253	1.1
127.03907	4.0
131.03387	4.8
143.03404	12.4
144.03767	0.5
145.04984	4.2
159.02907	0.5
161.04440	1.7
163.06029	13.7
164.06319	0.5
179.05489	1.5
185.04404	0.5
205.07127	7.8
233.06619	2.4
247.08231	3.3
289.09201	1.5
445.29535	1.2
507.83737	0.4
553.31812	1.0
589.33582	1.5
607.34991	0.8
735.39655	7.1
736.38739	1.0
753.40631	34.5
754.41071	6.9
795.41803	14.9
796.42365	3.4
881.45374	39.8
882.45648	10.1
899.46460	84.4
900.46686	19.8
904.83887	0.5
941.47461	100.0
942.47693	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	29.9
71.04906	2.3
72.99183	3.8
73.02821	8.9
73.06455	0.6
75.00746	4.6
81.03320	1.6
83.01254	3.8
83.04895	9.1
85.02824	18.2
85.99963	1.1
87.00753	10.8
87.04391	10.1
89.02317	25.1
90.02679	0.7
95.01266	2.4
95.04904	2.1
97.02824	4.0
98.19838	0.6
99.00773	1.9
99.04398	4.5
99.08027	0.6
101.02322	26.3
101.05968	1.4
102.02679	0.5
103.03883	6.2
109.02837	1.7
111.00779	0.4
111.04449	0.5
112.01556	0.4
113.02332	14.6
113.05961	0.8
115.03896	2.5
119.03392	9.1
123.04306	0.3
125.02341	4.2
125.06040	0.3
127.03898	6.2
127.07546	6.4
129.05490	0.7
129.09119	1.7
131.03391	4.8
131.07036	19.7
137.02335	0.9
143.03403	9.8
145.04961	1.9
149.04462	0.4
157.08604	8.2
158.08914	0.4
159.03044	0.3
161.04488	1.6
163.06032	8.6
164.06113	0.3
173.04491	0.5
179.05554	1.8
205.07100	5.5
233.06628	1.2
247.08224	2.0
289.09393	0.8
297.19278	0.3
339.62494	0.3
445.29294	0.5
460.34674	0.3
595.31146	5.7
596.31683	0.5
603.31927	0.5
607.34747	1.3
621.32825	4.3
723.35968	4.6
724.36603	0.6
728.09113	0.4
735.39362	2.2
736.39648	0.7
741.37054	1.2
742.38092	0.4
749.37823	2.5
753.40649	42.9
754.40924	7.5
767.38611	0.6
795.41638	1.2
796.41986	0.5
863.44427	0.9
881.45428	22.0
882.45776	4.5
899.46442	100.0
900.46796	20.0
941.47498	24.1
942.47485	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	1001.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	35.1
71.01837	0.9
71.04889	0.5
72.01564	0.5
72.98794	0.2
72.99175	4.1
73.02818	8.8
75.00726	0.6
81.03325	1.8
83.01260	5.3
83.01734	0.2
83.04863	0.6
84.02035	0.4
85.02822	23.0
85.99927	1.2
87.00748	12.5
87.04386	1.7
89.02316	24.6
93.03302	0.4
95.00740	0.3
95.01264	3.4
97.02836	4.5
99.00742	2.0
99.04391	1.4
101.02320	24.3
103.03896	5.6
109.02840	2.1
111.00723	0.6
111.04370	0.3
112.01503	0.6
113.02329	18.5
115.03899	2.5
119.02614	0.6
119.03382	8.2
125.02338	4.2
127.03906	6.9
131.03397	4.3
135.04355	0.4
137.02246	0.8
143.03404	9.3
145.04988	2.6
149.02229	0.3
150.03059	0.5
161.04489	1.6
163.04724	0.4
163.06021	8.3
165.01802	0.7
165.05418	0.6
173.04462	0.4
179.05458	1.2
180.04201	0.4
181.04887	0.4
195.06500	0.8
205.07114	3.9
233.06512	1.1
247.08183	1.5
257.47937	0.3
289.09183	0.9
307.10254	0.3
350.05286	0.3
389.55087	0.3
417.15475	0.5
539.54944	0.3
541.31500	0.6
607.34436	1.0
613.21753	0.3
672.48853	0.3
735.39935	2.3
753.40607	50.0
754.40924	9.2
769.40070	1.0
795.40955	1.3
818.54254	0.3
863.44580	0.6
881.45349	20.6
882.45575	4.5
897.45850	0.5
899.46436	100.0
900.46735	21.4
915.45508	2.1
916.46478	0.5
941.47406	21.7
942.47876	5.2
957.46722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51451	2.0
69.51867	0.7
71.01253	11.2
72.99180	1.2
73.02809	1.6
75.00752	0.4
75.46770	0.3
81.03343	0.6
83.01265	1.6
83.04918	0.6
85.02823	6.8
87.00745	2.6
89.02317	9.3
93.03353	0.4
95.01261	1.1
95.04890	0.8
96.95895	1.4
97.02816	2.6
97.06461	2.6
99.00748	0.6
99.04397	0.6
101.02330	8.9
109.02899	0.6
111.08079	0.5
113.02325	4.3
116.92776	0.8
119.03381	2.5
121.02808	0.4
123.04393	0.6
125.02343	4.9
125.09637	1.0
127.11153	0.9
137.02324	1.0
137.09634	1.4
139.03925	0.4
141.01830	0.4
143.03380	1.8
151.03893	0.5
155.10710	1.0
161.02370	0.4
161.04465	2.0
164.01065	0.3
165.01868	0.4
165.12753	1.0
167.03416	0.6
167.14314	0.8
171.10178	13.5
171.11668	0.7
172.10504	0.7
173.04468	0.4
177.01894	0.5
177.12790	0.9
179.05531	2.7
181.04988	0.3
181.12227	0.4
183.13788	2.7
185.11743	0.7
193.12299	0.8
195.13843	5.3
197.11769	0.8
201.11276	0.8
204.10591	0.3
205.12302	0.7
209.11894	2.0
211.13339	13.6
212.13687	0.7
221.06624	1.2
221.11754	2.6
223.13339	3.2
223.32597	0.4
227.12817	0.5
228.13640	0.5
229.14410	12.1
230.14755	0.9
231.21031	0.4
235.08231	2.6
239.12810	2.1
247.20760	0.4
253.09227	0.9
256.13080	0.7
263.07672	0.5
275.20056	2.9
287.07950	0.6
289.07202	0.9
291.19708	4.4
292.20001	0.5
293.21225	54.6
294.21576	4.0
305.08832	1.0
309.20743	7.8
310.21054	0.8
323.09906	0.7
327.21756	100.0
328.22076	8.3
379.11957	0.4
397.13489	28.0
398.13821	1.7
415.14560	23.1
416.14859	1.1
592.63422	0.4
603.42554	3.4
604.43011	1.3
645.33960	0.3
654.27576	0.7
691.35474	4.2
692.35529	0.7
707.34906	7.1
708.35303	1.0
725.35822	5.1
726.36908	0.7
1001.53516	1.0
1002.56647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
92.98447	0.9
93.03343	1.3
101.68163	0.9
102.92477	0.9
107.01268	2.1
112.88931	1.0
120.07050	0.9
135.00777	1.9
151.00313	1.9
163.00311	2.1
185.06024	1.8
187.03935	1.8
197.06015	1.4
199.03906	1.1
201.05530	0.9
211.03926	1.8
213.05496	1.3
227.03452	28.5
228.03804	2.4
229.04999	9.8
255.02962	59.5
256.03430	6.3
257.04547	4.7
267.02780	1.0
271.02347	1.2
284.03256	75.5
285.04022	76.4
286.04465	5.1
299.02090	1.3
351.97720	1.0
477.09552	0.9
489.10400	100.0
490.10739	10.9
658.09045	1.1
658.92145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.335
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79174	0.1
70.79514	0.2
71.01254	1.6
72.02407	0.1
73.02820	0.4
74.63592	0.1
78.33269	0.1
83.01257	0.6
85.02834	1.0
87.00786	0.1
89.02332	0.8
95.01275	0.3
99.00747	0.2
101.02319	1.6
107.01279	0.8
108.02043	0.9
113.02334	0.6
119.03407	0.2
121.02824	0.2
123.08049	0.3
125.02295	0.1
135.00752	0.4
148.01544	0.6
151.00267	2.9
152.01033	0.2
153.01834	0.2
159.04442	0.1
161.04436	0.2
163.00322	0.5
163.03847	0.1
164.01033	0.5
171.09125	0.1
177.12759	0.5
178.99782	1.9
183.04347	0.1
192.00531	0.1
195.13872	0.2
199.03908	0.5
200.04439	0.1
201.01927	0.1
211.03931	0.4
215.03401	0.3
216.04233	0.3
221.11783	0.4
226.02638	0.9
227.03444	1.5
243.02965	7.1
244.03540	0.6
254.02235	1.3
255.02969	18.7
256.03375	1.4
271.02475	39.5
272.02917	3.3
273.03882	0.2
298.00830	0.1
299.01987	1.6
300.02737	84.6
301.03217	8.5
302.03799	0.2
316.02060	0.2
326.41992	0.1
343.04581	0.1
401.18143	13.7
402.18536	1.1
421.70160	0.1
445.07370	0.1
463.09018	0.1
489.10477	0.2
609.14581	100.0
610.14911	14.2
611.15424	0.2
625.13989	0.4
967.19037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	39.1
72.99189	5.2
73.02817	15.1
75.00748	1.4
81.03329	3.5
83.01263	4.4
83.04894	0.8
85.02824	23.1
85.99968	2.0
87.00747	17.2
87.04395	1.9
89.02319	28.2
93.03335	1.9
95.01254	3.1
96.95879	1.6
97.02824	8.1
99.00759	3.0
99.04379	2.1
101.02326	29.9
102.02685	0.8
103.03887	9.2
108.02070	0.9
109.02818	4.5
111.00761	1.8
111.04394	1.2
112.01566	0.8
113.02334	15.7
115.03893	3.6
119.03383	11.7
121.02839	1.3
123.04407	1.1
124.01555	3.0
125.02347	23.1
127.03893	8.5
131.03407	6.0
133.02818	1.0
134.33876	0.8
135.04408	0.9
137.02316	2.5
143.03395	9.6
145.04924	5.0
151.03889	1.3
161.04462	1.5
163.06044	18.1
167.03407	1.6
177.01903	1.1
179.05542	1.2
185.04514	1.9
191.05408	1.3
205.07117	5.3
217.05003	1.0
233.06596	3.5
247.08174	2.2
289.06967	1.2
311.54123	0.7
332.26868	0.8
338.27121	0.7
701.38269	1.0
719.40155	5.5
737.41241	23.2
738.41211	3.5
761.40625	2.4
779.42242	41.8
780.43042	6.4
847.45129	5.4
865.45795	26.7
866.46301	5.6
883.46979	22.0
884.47156	5.0
907.46906	24.4
908.47034	4.8
925.48035	100.0
926.48535	24.0
967.48920	8.2
968.49738	1.8
1011.45673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	46.8
71.04888	0.4
71.39422	0.4
71.39766	0.5
72.01591	0.6
72.99181	6.5
73.02819	14.8
75.00741	1.0
81.03331	4.0
83.01256	6.6
83.04906	0.8
85.02824	33.0
85.99972	2.2
87.00748	20.9
87.04385	1.9
88.01079	0.3
88.98653	0.6
89.02317	28.7
95.01273	3.6
95.04942	0.4
95.67196	0.3
96.95903	1.0
97.02831	9.1
99.00767	2.8
99.04407	2.7
101.02322	34.9
101.06010	0.4
102.02668	1.1
103.00274	0.4
103.03891	9.7
105.62054	0.3
108.02042	0.8
109.02841	3.9
111.00771	1.3
111.04393	0.6
112.01592	0.4
113.02330	16.0
115.03915	2.7
119.03388	10.5
121.02859	0.5
123.00750	0.4
123.04379	0.6
124.01559	3.3
125.02337	24.6
126.02661	0.7
127.02953	0.6
127.03900	11.4
131.03403	4.5
137.02322	0.9
141.01863	0.4
141.89331	0.3
143.03404	9.7
145.04935	5.3
149.04451	0.5
151.03914	0.5
155.03415	0.4
161.04477	1.7
163.06032	18.9
164.06288	0.5
165.05547	0.7
167.03436	0.6
179.05577	1.2
185.04462	1.2
203.05576	0.4
205.07108	5.1
206.46823	0.3
211.13225	0.4
229.06912	0.5
233.06601	3.7
247.08208	2.0
271.77863	0.4
289.09540	0.9
331.10263	0.7
429.30096	0.8
525.31812	0.5
537.32318	0.8
555.33026	0.7
566.97321	0.4
573.34424	0.7
591.35760	0.8
592.36517	0.5
633.37207	0.5
701.39453	0.9
719.40179	6.2
720.40833	0.7
737.27362	0.4
737.41174	24.4
738.41626	3.6
761.41260	2.5
779.42206	45.4
780.42456	8.4
821.43262	0.5
847.44684	5.6
848.45679	0.8
865.45856	29.7
866.46265	5.7
871.45453	0.5
883.46942	23.3
884.47101	4.0
889.45490	1.1
907.46930	28.2
908.47076	6.1
908.63434	0.7
925.48010	100.0
926.48352	21.9
967.49011	7.5
968.48425	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	44.1
71.04898	0.8
71.08588	1.1
72.99176	5.7
73.02819	17.8
75.00740	1.4
81.03317	4.0
82.62935	0.5
83.01256	6.1
83.04904	0.6
85.02826	31.8
85.99971	1.9
86.03175	0.8
87.00752	22.7
87.04390	1.9
89.02319	31.3
93.03325	0.7
95.00088	0.5
95.01259	3.6
96.71560	0.5
97.02839	9.1
99.00758	2.4
99.04385	2.1
101.02327	37.5
102.02630	0.7
103.03892	12.2
109.02852	4.8
111.00782	1.0
112.01470	0.6
113.02335	20.2
114.02679	0.5
115.03876	3.6
119.03394	12.7
124.01576	3.2
125.02338	26.2
126.03115	0.6
127.03898	11.6
131.03384	5.0
137.02336	0.9
143.03406	10.2
145.04958	6.0
149.04446	0.9
151.03978	0.6
161.04454	2.1
163.06032	22.0
167.03389	1.0
179.05536	1.5
185.04486	1.9
205.07100	5.6
211.13300	0.9
233.06680	4.3
247.08215	2.1
271.08313	0.8
271.81931	0.6
280.13000	0.5
289.09607	0.7
291.19662	1.0
331.10257	1.0
429.30374	0.7
507.41666	0.6
537.32001	0.8
555.33148	0.9
573.34186	1.3
591.35419	1.3
701.39191	0.9
719.40125	6.4
720.40356	1.1
737.41211	28.3
738.41742	6.4
761.41168	2.8
762.41400	0.7
779.42261	46.0
780.42554	11.5
821.43616	0.9
847.44916	6.0
848.45624	1.7
865.45837	32.3
866.46344	8.6
883.46979	27.2
883.65027	0.6
884.47418	7.6
889.45850	1.0
907.46979	23.3
908.47412	6.6
925.48047	100.0
926.48340	30.7
967.49188	6.5
968.49713	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	1011.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01245	7.4
71.01257	67.1
72.99182	7.3
73.02823	20.9
75.00746	3.6
75.25912	1.5
79.64351	1.4
81.03334	3.0
83.01266	8.3
85.02831	40.6
85.99998	1.7
87.00755	23.8
87.04394	3.8
88.98706	1.9
89.02325	43.2
90.02623	1.4
95.01251	5.6
96.95911	3.9
97.02823	13.1
99.00746	2.8
99.04353	1.7
101.02326	52.8
103.03896	18.3
109.02841	4.9
113.02332	26.9
115.03890	4.7
119.03418	14.7
124.01539	8.2
125.02345	44.7
127.03872	4.6
131.03409	7.4
143.03397	12.6
145.04938	6.8
151.03935	2.0
161.04469	1.9
163.06042	24.1
165.01741	2.2
165.06691	1.5
178.38396	2.0
179.05614	1.9
203.19655	1.4
205.07034	7.5
233.06561	4.0
247.08250	5.1
259.58917	1.6
289.09528	1.6
295.93515	1.5
349.63629	1.7
366.08249	1.6
412.90598	1.5
615.35406	3.7
761.41290	14.2
762.41199	2.7
779.42224	44.2
780.42236	8.9
821.43121	29.8
821.56903	2.7
822.43890	5.2
907.46997	50.4
908.47723	11.2
925.48077	100.0
926.48352	22.9
964.95709	2.5
967.49097	81.3
968.49200	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	40.6
71.19153	1.3
72.01594	0.7
72.99186	5.3
73.02818	12.9
75.00758	1.3
81.03319	3.0
83.01275	4.6
85.02829	24.9
85.99980	1.7
87.00758	17.6
87.04387	2.3
89.02319	25.4
93.03341	0.8
95.01263	4.9
96.95885	1.4
97.02826	7.5
99.00762	1.8
99.04393	2.9
101.02329	31.9
103.03893	11.9
108.02059	0.7
109.02840	4.2
111.00755	1.4
113.02338	17.1
115.03878	2.4
119.03388	9.9
123.00842	0.6
123.04482	0.8
124.01527	3.3
125.02339	21.4
127.03905	9.8
131.03439	3.4
135.04402	0.7
137.02298	1.1
142.42010	0.6
143.03400	8.6
145.04997	4.1
161.04442	2.0
163.03955	0.9
163.06047	16.8
165.05505	0.8
173.04515	0.9
179.05537	1.0
185.04469	2.4
191.05536	0.8
205.07144	5.9
207.32004	0.7
233.06630	3.1
247.08249	2.1
331.10144	1.0
372.30774	0.6
404.53400	0.6
573.34509	1.2
581.35034	0.6
591.35492	0.8
701.39044	1.1
719.40106	4.7
737.41193	23.2
738.41974	3.9
761.40955	2.9
779.42236	38.1
780.42621	7.2
821.43683	0.9
847.45221	5.4
848.44470	1.5
865.45868	28.3
866.46240	6.1
883.47125	23.7
884.47107	5.1
889.46802	1.3
907.46851	22.8
908.47821	5.4
925.48077	100.0
926.48553	24.2
967.49170	7.2
968.49219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	43.4
71.52721	2.1
72.99187	6.3
73.02815	15.7
75.00755	1.6
78.77262	1.4
81.03326	2.1
83.01265	6.7
85.02823	32.1
85.03344	1.9
85.99979	2.1
87.00749	23.2
89.02319	30.7
93.03325	3.7
95.01247	3.2
96.95882	2.1
97.02817	8.3
99.00761	2.1
99.04407	2.8
101.02321	32.6
103.03876	8.3
109.02845	5.8
110.00603	1.4
113.02327	17.1
115.03923	2.0
115.28423	1.3
119.03392	11.3
121.02792	2.2
123.00780	1.4
123.04406	2.7
124.01558	2.6
125.02333	29.1
127.03898	9.9
131.03410	4.1
133.02904	2.0
135.04411	1.8
137.02357	3.3
141.56680	1.3
143.03401	10.3
145.04947	5.1
147.26262	1.6
161.02350	2.0
161.04468	2.5
163.06018	16.8
164.01155	2.0
167.03447	1.7
173.04463	3.8
177.01836	1.9
178.02461	1.3
185.04477	1.9
191.05553	2.5
199.03870	1.6
205.07094	5.6
211.13448	1.5
233.06625	2.9
289.07153	3.3
415.41080	1.5
573.34357	2.0
719.39856	6.1
737.41284	24.4
738.41272	3.1
761.41150	2.6
779.42218	47.5
780.42267	7.8
847.44427	3.9
865.45862	33.0
866.46344	6.4
883.47223	24.1
884.46729	4.7
907.47113	24.2
908.47522	5.7
920.75244	1.7
925.48059	100.0
926.48224	22.6
967.48785	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	1011.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	1.2
71.40194	0.4
77.03842	0.4
80.02560	0.3
81.03328	4.2
83.01260	8.4
83.94957	0.3
84.58344	0.3
85.02843	0.4
88.62844	0.3
88.98665	0.5
89.02301	0.5
91.05408	0.5
93.03336	5.0
95.01277	2.4
95.04897	5.3
97.02834	11.0
97.06508	0.3
98.20645	0.4
99.04396	0.8
101.02347	0.7
102.05511	0.6
103.40279	0.4
107.04898	1.2
108.02068	2.4
109.02840	31.2
109.06479	0.5
110.03166	0.7
111.00759	0.4
111.04408	0.7
112.30417	0.3
117.03359	0.8
119.04902	0.7
121.02846	7.1
122.03670	2.1
123.00770	1.2
123.04413	21.0
124.01539	0.9
124.04726	0.7
125.02338	29.3
125.09626	0.8
126.02697	0.7
128.03403	0.5
131.04858	0.5
133.02875	2.0
133.06479	0.5
135.04408	4.2
137.02348	34.0
138.03169	3.6
139.03899	7.0
143.04890	0.8
145.02832	2.1
146.03563	3.0
146.04550	1.1
147.04443	1.9
148.01596	0.7
149.02348	9.4
149.05931	1.0
150.03035	1.2
151.03925	11.6
153.01811	0.5
157.06509	1.2
158.03622	0.7
159.04425	7.2
160.01559	0.3
160.05238	2.8
161.02361	6.2
161.04575	0.7
161.05984	13.2
162.03156	4.9
163.00273	3.6
163.03929	2.7
164.01080	9.1
164.25340	0.4
165.01845	13.3
165.05476	0.8
166.02640	2.6
167.03462	4.1
170.02103	0.4
171.04407	0.7
173.06029	1.9
174.03114	2.1
174.06772	0.6
175.03925	6.6
175.07578	3.4
176.01039	1.1
176.04449	0.6
177.01855	7.9
177.05490	1.3
178.02574	0.9
179.03427	10.0
184.05132	0.5
185.06010	2.4
185.11809	0.5
186.06674	0.6
187.03932	9.6
188.04723	7.4
189.01833	0.7
189.05432	1.2
190.02672	1.2
191.03426	1.6
193.04868	0.4
197.06006	0.7
199.03902	1.0
199.07571	1.3
201.05536	2.1
202.06300	3.3
203.03485	1.4
203.07083	24.1
204.04161	0.6
204.07416	1.2
205.01418	0.5
205.05009	15.9
206.05359	0.5
207.06618	0.6
207.10236	0.8
211.13379	1.0
212.04768	1.9
213.05502	1.3
215.03397	0.8
215.06966	0.5
216.04236	0.5
217.05052	2.2
217.08656	1.0
219.02951	0.5
221.08156	4.6
223.13342	2.5
227.03493	0.4
227.07098	4.4
229.04988	0.8
230.05826	1.3
231.02922	1.7
233.04388	0.5
235.06081	0.6
241.05034	1.2
243.02863	0.6
243.06633	0.6
245.08163	28.3
246.08479	2.2
247.06097	2.0
257.04663	1.2
259.06055	1.3
265.14413	1.0
271.06207	1.8
271.13608	0.4
274.04706	0.5
275.05521	0.7
277.21732	4.4
285.04092	7.6
285.15039	0.4
286.04456	0.7
287.12833	0.9
289.07184	100.0
290.07471	6.5
291.12421	1.1
293.21204	1.1
299.12720	0.5
303.05078	7.5
304.05496	0.9
305.06531	0.5
305.13843	0.6
313.14474	1.2
317.13803	0.5
325.06989	0.4
331.15463	1.1
334.04614	0.4
359.01987	0.4
359.15057	0.8
435.18250	1.0
453.19037	0.5
479.16565	0.6
497.18085	0.9
567.25043	0.5
725.24683	0.4
733.26672	0.6
751.26215	0.4
805.43494	1.3
827.45966	0.8
831.46356	0.4
845.46851	0.6
855.45746	1.1
859.44757	4.2
860.44818	0.7
867.45398	0.8
868.46826	0.4
873.46887	0.5
949.48914	1.3
967.48712	1.6
968.48016	0.6
975.46777	0.8
993.48651	10.0
994.49030	3.1
1011.49603	86.5
1012.49902	27.6
1012.71979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85410	1.5
71.01234	1.3
78.72471	0.7
81.03323	3.3
83.01259	9.1
85.02864	0.6
86.86568	0.7
93.03329	4.1
95.01267	2.9
95.04906	3.8
95.47504	0.6
96.95847	1.0
97.02825	9.8
101.02316	0.8
107.04926	1.0
108.02000	1.4
109.02834	29.1
113.02231	0.9
117.03325	1.0
121.02841	7.9
122.03648	1.2
123.00746	1.9
123.03545	1.2
123.04414	19.4
124.01530	2.4
125.02335	38.3
126.02654	1.2
131.05054	0.7
133.02827	1.7
133.83054	0.7
135.04413	2.2
137.02339	38.9
138.03178	5.7
139.03899	5.9
141.01891	0.8
143.04906	1.3
145.02831	2.3
146.03630	4.1
147.04446	2.1
149.02339	9.3
150.03084	1.7
151.03914	10.4
153.01833	1.2
157.06602	0.7
158.03563	0.7
159.04414	5.6
159.08134	0.9
160.05167	1.1
161.02359	7.1
161.05991	10.1
162.03151	4.5
162.06361	0.7
163.00281	2.5
163.03891	2.6
164.01042	7.6
165.01831	23.1
165.05423	0.9
166.02612	6.7
167.03419	4.8
171.04443	0.8
172.05186	0.8
173.02266	1.2
173.06012	2.4
174.03145	1.9
175.03934	8.8
175.07602	3.2
176.01093	1.2
177.01868	12.2
177.05403	1.5
178.02589	1.8
179.03415	9.0
185.05977	1.7
187.03946	10.9
188.04735	6.7
189.01836	1.5
189.05487	2.5
190.02570	1.4
191.03398	1.4
193.04897	0.7
199.03862	1.6
199.07616	1.1
201.01778	1.0
201.05469	2.4
202.06299	3.3
203.03482	1.8
203.07071	20.4
204.07367	0.7
205.05013	12.7
207.06651	1.8
211.03998	1.3
211.13278	2.3
212.04774	1.3
213.05516	2.1
215.03398	1.5
217.04927	4.6
217.08488	0.7
221.08156	4.1
223.13417	1.6
225.05548	0.8
227.07062	2.8
229.05086	1.6
230.05815	0.9
231.02913	2.2
231.06456	0.8
233.04494	1.6
235.06129	1.9
241.05043	2.8
243.02864	0.8
245.08174	24.9
246.08426	1.5
247.06104	2.7
257.04541	3.3
259.06021	3.9
261.04044	1.2
271.06015	1.4
274.04868	1.5
275.05585	2.4
277.21738	9.4
285.04053	23.0
286.04578	1.8
287.12921	1.3
289.07175	78.5
290.07529	4.4
297.14645	0.7
302.29239	0.7
303.01804	1.4
303.05106	22.2
303.12451	0.8
304.05621	3.2
305.06757	1.2
313.07367	0.8
313.14441	1.8
329.14023	1.6
331.15710	1.6
341.13766	0.9
435.18079	1.4
497.18460	1.0
707.28918	0.8
733.27740	0.8
751.28021	0.8
805.43964	1.9
827.46118	2.2
843.45386	1.6
855.46283	0.9
859.44861	4.4
867.46594	1.1
873.46686	1.9
949.48474	1.5
967.48883	2.1
975.47766	1.4
993.48438	17.2
994.49200	4.0
1011.49542	100.0
1012.49866	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	1011.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	12.5
76.45901	1.3
81.15189	1.5
82.75596	1.5
87.00772	2.2
89.02329	8.7
97.02838	2.5
98.10806	1.4
101.02325	7.5
110.55396	1.4
111.56931	1.6
113.02326	5.6
119.03342	2.5
125.02325	4.5
126.63873	1.6
161.04457	3.1
179.05566	3.3
195.13829	4.8
223.13318	3.6
235.08189	4.6
275.20157	7.5
277.21744	34.7
278.22049	3.3
293.21219	100.0
294.21588	7.3
305.08823	1.7
379.12427	5.4
390.84991	1.8
397.13498	36.1
398.13824	3.1
415.14600	12.6
624.42413	1.5
636.95367	1.8
691.35553	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	1013.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01248	0.3
90.56298	0.2
91.01764	0.2
107.01274	1.7
108.02042	1.1
109.02832	0.7
121.02817	1.4
124.01543	0.3
135.00780	0.6
143.35472	0.2
148.01512	0.9
149.02315	0.2
151.00273	6.9
152.00702	0.3
163.00273	1.6
164.00951	0.5
169.01317	0.5
178.99779	2.9
183.04466	0.3
187.03944	0.4
189.01958	0.2
190.99763	0.3
193.01314	0.2
199.03979	0.7
201.05518	0.3
211.03961	0.8
215.03444	0.4
216.04216	0.3
226.02626	0.8
227.03465	2.1
229.05046	0.5
230.17967	0.3
239.03326	0.2
243.02971	6.8
244.03374	0.5
245.04547	0.8
254.02184	1.2
255.02962	19.3
256.03357	1.3
271.02472	40.3
272.02927	3.8
273.03973	0.4
283.02533	0.9
299.01901	1.1
300.02734	67.3
301.03448	25.6
302.03891	1.3
343.04480	0.2
384.34790	0.2
463.08823	2.5
464.09406	0.5
494.86719	0.2
505.09869	100.0
506.10172	13.2
506.21259	0.2
507.10229	0.2
1033.99353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
75.79559	44.7
152.13040	41.1
185.79895	43.4
198.54871	48.0
293.21207	100.0
294.21442	76.6
295.21945	54.1
347.57932	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51283	0.5
71.01256	11.1
72.99174	0.8
73.02811	1.4
75.16637	0.5
81.03319	0.9
83.01257	1.5
85.02827	7.8
87.00739	1.7
89.02318	9.2
93.03307	0.8
95.01226	0.7
95.04869	0.8
96.95908	1.5
97.02820	3.9
97.06455	2.7
101.02325	9.1
109.06530	0.7
111.04424	0.6
111.08031	2.7
113.02328	5.0
119.03412	2.4
121.02840	0.8
125.02334	5.9
125.05777	0.6
125.09605	1.2
127.11177	1.2
128.51254	0.5
137.02318	1.1
137.09602	1.4
143.03432	1.2
150.05898	0.6
155.10638	1.2
161.04456	1.4
163.11212	0.9
165.12762	2.1
167.03308	0.6
167.10596	0.7
167.14340	0.7
169.12259	1.8
171.10188	18.7
172.10439	0.6
177.01881	0.7
177.12758	1.2
179.05522	2.6
181.12216	1.1
183.13870	2.8
185.11754	1.3
193.12291	1.5
193.30281	0.5
197.11769	16.5
198.12238	0.9
199.13322	1.3
201.11188	0.8
209.11778	2.0
211.13333	16.4
212.13608	1.0
221.06676	0.8
221.11734	2.4
223.13310	0.7
227.12857	1.2
229.14407	10.3
230.14728	0.9
234.84894	0.5
235.08244	2.1
239.12842	1.6
247.20657	1.7
253.09221	1.1
261.22610	0.6
263.20120	1.0
287.07922	0.6
289.07330	1.1
291.19690	12.4
292.20105	1.2
293.21130	2.1
305.08783	0.6
309.20712	38.0
310.21057	3.7
323.10040	0.9
327.21756	100.0
328.22073	8.0
343.21268	3.0
351.21719	0.7
379.12497	0.7
397.13474	21.8
398.14191	1.6
415.14563	19.3
416.14828	1.3
465.94781	0.6
564.12854	0.7
619.42358	4.9
707.34845	11.7
708.35095	1.5
725.36157	5.3
791.14581	0.7
940.13293	0.7
1017.55334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
91.76595	0.2
97.11234	0.3
98.19787	0.9
105.38606	0.2
107.01271	1.7
108.02056	1.0
109.02815	0.7
112.14167	0.2
116.60166	0.2
121.02837	0.8
135.00786	0.7
135.70638	0.2
148.01584	0.8
149.02264	0.2
151.00284	6.2
154.99863	0.2
155.10651	0.4
161.02341	0.4
163.00267	1.8
164.01031	0.3
164.42656	0.2
178.99762	3.1
187.03862	0.3
190.99881	0.3
192.00526	0.4
199.03973	0.3
199.09581	0.2
204.03998	0.2
211.03860	0.4
215.03360	0.3
218.00908	0.2
222.39990	0.3
226.02673	0.8
227.03448	1.9
229.05069	0.3
243.02956	5.2
244.03403	0.5
245.04521	0.9
254.02258	1.2
255.02962	16.6
256.03394	1.3
271.02466	35.1
272.02921	3.0
273.04001	0.4
283.02408	1.0
299.01904	0.8
300.02740	67.7
301.03467	26.9
302.03815	1.6
343.05228	0.2
354.18085	0.3
394.13458	0.2
463.08865	1.8
464.08868	0.3
485.42517	0.3
505.09869	100.0
506.10150	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	1025.241
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	0.4
81.03323	4.5
83.01247	2.3
85.02789	0.3
91.01781	0.2
93.03345	0.3
95.01282	0.3
95.04890	1.1
97.02824	0.5
98.19687	0.3
99.04396	0.4
107.01295	0.8
107.04889	0.2
108.02073	0.2
109.02846	0.5
121.02861	0.8
123.04405	33.5
124.04736	0.9
125.02332	5.0
131.01270	0.2
135.00754	0.3
135.04413	0.5
137.02333	1.2
137.06018	0.2
139.03920	0.6
147.04416	0.2
148.01585	0.2
149.02330	1.2
151.00267	3.0
151.03880	1.1
153.78293	0.1
155.10690	0.3
163.03905	1.3
165.01848	0.4
165.05429	0.3
166.02618	0.5
167.03406	100.0
168.03745	3.3
168.05087	0.3
173.02287	0.2
175.00246	1.4
178.99846	0.7
179.03398	1.0
180.04160	0.3
181.04987	3.0
184.29935	0.1
191.03418	22.7
192.03726	0.8
193.04985	0.4
199.04001	0.2
199.09639	0.2
209.04485	8.4
210.04846	0.4
211.03862	0.2
221.04504	2.6
227.03603	0.3
230.44670	0.2
233.04433	0.5
243.02974	1.3
254.02179	0.3
255.02965	3.3
271.02466	7.2
272.02945	0.6
283.02435	0.2
299.01968	0.3
300.02731	14.7
301.03461	5.7
302.03824	0.2
311.07538	0.2
313.03726	0.1
353.08676	0.5
371.09799	54.0
372.10120	3.1
403.29172	0.1
415.08722	1.3
448.93866	0.2
464.10257	0.1
532.23944	0.2
562.47260	0.2
609.14569	17.9
610.14880	2.1
907.73181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	38.6
72.99192	2.7
73.02810	5.4
78.95781	2.0
81.03342	2.7
83.01250	3.1
85.02815	10.2
85.47550	2.3
87.00751	8.1
89.02318	30.1
93.51698	2.0
95.01261	3.4
95.04910	1.9
97.02831	7.6
97.06461	4.2
99.00778	3.8
101.02324	23.4
113.02313	15.9
119.03381	5.1
119.77512	2.2
119.89497	1.9
125.02336	15.4
125.09599	4.8
131.03421	2.8
137.09618	3.0
140.34875	2.2
143.03378	6.4
161.04436	6.8
163.11194	7.9
165.97168	1.9
179.05542	9.2
185.11748	7.8
191.14383	6.2
196.83452	2.1
207.10199	3.8
209.11755	17.6
211.13281	3.2
221.06714	2.2
225.06273	2.1
225.11183	3.2
235.08173	8.2
237.11227	5.0
237.14113	1.9
245.19041	15.7
245.58313	2.0
253.09297	2.5
263.07794	1.7
263.20132	6.0
270.21152	1.7
271.17105	3.1
277.21722	100.0
278.22089	6.7
287.07675	3.6
289.18097	94.5
290.18375	4.7
291.23407	2.1
305.08618	3.7
307.19141	85.9
308.19504	8.7
323.09662	3.9
325.20367	1.9
379.12338	8.9
397.13492	84.3
398.13943	4.8
415.14532	20.4
424.87054	2.5
675.35504	2.7
687.32550	4.9
965.54736	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	1025.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00859	1.9
71.01250	27.0
72.99184	2.5
73.02833	1.9
74.94147	1.3
78.30499	1.3
81.03323	2.4
83.01249	6.3
85.02834	6.6
87.00754	5.9
89.02325	24.4
95.01263	1.9
95.04889	1.7
97.02834	6.6
97.06469	4.0
99.00771	2.1
101.02332	20.9
113.02349	14.1
115.11847	1.3
119.03396	6.7
123.04413	3.8
123.08096	1.6
125.02364	9.1
125.09630	5.1
127.07459	1.6
131.03412	2.3
137.09605	3.5
139.03970	1.7
143.03375	5.2
161.04492	4.6
163.11220	6.5
165.12781	2.0
173.09851	1.5
179.05533	8.0
181.12337	1.6
182.26624	1.3
185.04375	1.8
185.11766	7.4
191.14360	8.9
207.10210	3.5
209.11786	17.6
211.13449	1.6
219.77380	1.4
225.11287	3.4
235.08168	7.2
237.11241	4.9
245.19040	19.3
245.21310	1.7
253.09309	3.0
263.20114	3.8
271.16974	2.6
277.21729	86.0
278.22064	7.8
281.21301	1.8
287.07614	3.7
289.18100	99.9
290.18399	9.2
305.08881	3.7
307.19144	100.0
308.19464	4.9
309.20874	1.7
323.09537	2.2
379.12466	9.5
397.13510	67.4
398.13995	4.8
415.14529	20.6
416.14749	2.2
461.90308	1.8
669.31152	2.1
687.32117	7.4
705.33826	5.2
747.50751	1.5
780.23523	1.5
920.06091	1.7
947.53412	1.5
965.54608	6.1
966.57404	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	43.5
71.04858	0.2
72.01578	0.7
72.99180	5.3
73.02818	13.9
75.00750	1.6
78.38091	0.3
81.03329	3.1
83.01252	4.9
83.04899	0.9
85.02825	29.1
85.99976	1.6
86.03144	0.4
87.00751	20.7
87.04386	3.6
89.02316	29.4
93.03330	0.6
95.01258	4.0
97.02827	8.7
99.00758	2.5
99.04385	2.1
101.02322	35.5
102.02673	0.6
103.00271	0.3
103.03890	11.2
108.02052	0.6
109.02838	4.5
111.00751	1.0
111.04367	0.7
112.01565	0.4
113.02331	17.1
114.02651	0.3
115.03904	2.8
117.00245	0.3
119.03392	12.0
121.02867	0.4
121.32030	0.2
123.00749	0.5
123.04427	0.6
124.01561	2.9
125.02337	26.2
126.02711	0.3
127.03902	11.1
131.03406	5.0
133.02821	0.5
135.04437	0.3
137.02335	0.8
139.03937	0.5
143.03401	9.5
144.03813	0.3
145.04971	5.0
147.04440	0.3
149.02328	0.3
149.04411	0.5
151.03897	0.5
155.03412	0.9
161.04521	2.3
163.06033	20.7
164.06395	0.5
165.05565	0.4
167.03377	0.8
173.04440	1.0
175.03825	0.3
179.03481	0.3
179.05515	1.5
185.04466	1.9
187.05901	0.4
203.05576	0.6
205.05124	0.2
205.07088	5.9
207.06627	0.4
219.08788	0.3
229.07024	0.3
233.06593	3.5
247.08174	2.6
271.08157	0.7
289.09201	1.1
307.10236	0.5
331.10291	1.0
345.24310	0.5
349.54855	0.3
427.10083	0.3
439.16739	0.3
445.29483	0.6
489.28253	0.3
541.31610	0.7
553.31934	0.7
571.33356	0.3
589.25775	0.3
589.33325	1.2
606.69818	0.3
607.34717	0.7
717.38910	0.9
735.39423	5.6
736.40277	1.3
753.40643	26.6
754.41052	4.0
777.40710	2.1
778.40570	0.5
795.41736	44.8
796.42084	9.1
837.42438	0.7
863.44275	5.1
864.44727	1.3
881.45410	32.4
882.45801	7.0
899.46399	24.5
900.46936	5.6
905.45428	1.6
906.45581	0.4
923.46448	24.9
924.46979	5.9
941.47449	100.0
942.47791	24.2
983.48590	7.5
984.48541	2.3
1027.45081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	42.9
72.01584	0.6
72.99187	5.7
73.02821	17.0
75.00742	1.4
81.03328	3.4
83.01258	6.1
83.04907	1.4
85.02824	31.2
85.99962	2.1
86.97475	0.6
87.00230	1.1
87.00751	18.9
87.04392	4.7
89.02322	32.2
93.03325	1.1
93.82320	0.5
95.01260	4.1
95.48389	0.5
96.95858	0.8
97.02827	9.8
99.00756	2.8
99.04379	1.4
101.02326	37.3
102.02709	0.7
103.03892	11.4
108.02042	0.6
109.02853	4.8
111.00765	1.5
113.02332	18.9
114.58662	0.5
115.03893	3.7
119.03396	13.8
121.02848	0.7
123.04387	1.1
124.01563	3.3
125.02338	26.2
126.02678	0.6
127.03897	10.0
131.03383	6.0
133.02892	0.8
134.03537	0.5
135.04393	1.3
137.02354	1.6
139.03908	0.5
143.03404	9.9
145.04970	5.7
149.02374	0.8
149.04520	0.8
155.03452	0.8
161.02373	0.7
161.04485	2.7
163.06041	21.9
165.05475	0.5
167.03375	0.8
173.04494	2.1
175.03969	0.7
177.01862	0.7
179.03409	1.1
179.05522	2.3
185.04489	1.4
191.05530	1.7
205.07133	6.7
229.07130	0.8
233.06618	4.5
247.08118	2.5
271.08243	0.8
289.04337	0.5
289.09369	1.0
331.10306	1.1
445.29575	0.8
589.33624	1.3
649.35974	0.6
717.38025	1.2
735.39392	6.1
736.40283	0.8
753.20319	0.8
753.40680	26.2
754.40472	4.3
777.40216	2.4
795.41724	45.1
796.41980	7.5
863.44495	6.2
864.44153	0.8
881.45435	32.5
882.45581	6.1
899.46533	28.6
900.46667	4.7
905.45190	1.1
923.46393	24.5
923.64899	1.2
924.46661	5.0
941.47467	100.0
942.47778	19.9
983.48663	6.1
984.48792	1.8
1027.44910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	39.7
72.99179	5.3
73.02817	13.4
74.02345	0.5
75.00729	0.7
81.03320	2.9
83.01258	6.2
83.04880	0.8
85.02821	27.9
85.99959	2.2
87.00755	18.6
87.04385	1.7
89.02317	30.0
93.03304	0.8
95.01244	3.0
97.02831	8.6
99.00746	2.8
99.04384	2.2
101.02319	32.2
102.02634	0.5
103.03876	9.5
106.38454	0.5
107.01215	0.5
109.02820	4.4
111.00762	1.0
113.02328	15.2
115.00324	0.6
115.03929	2.5
119.03387	10.2
123.04369	0.7
124.01574	2.7
125.02337	21.6
126.02615	0.6
127.03905	8.6
131.03400	4.8
135.04404	0.7
137.02339	0.8
138.11180	0.6
143.03416	9.2
143.04501	0.8
145.04955	4.3
147.04442	0.5
155.03421	0.6
161.04449	1.5
163.06032	18.7
164.06450	0.5
165.05453	0.7
167.03426	0.8
173.04442	0.7
179.05482	0.8
185.04462	1.9
191.05530	1.0
205.07132	5.2
233.06656	4.8
247.08266	2.6
271.08215	0.6
272.08884	0.9
283.13507	0.7
306.07654	3.6
371.25748	0.6
445.29617	0.9
541.32379	0.6
589.33844	0.7
607.34100	0.6
688.83826	0.6
717.38763	1.0
735.39746	5.4
736.39685	1.2
753.40656	23.6
754.40808	3.7
777.40643	2.4
795.41705	46.7
796.42163	11.0
837.42090	1.1
863.44232	5.3
864.45032	1.9
881.45367	28.3
882.45563	7.9
899.46448	23.0
900.47058	4.9
905.44360	1.3
923.46423	25.7
924.46747	6.7
939.07416	0.8
941.47461	100.0
942.47687	25.8
983.48816	6.8
984.48627	2.2
1027.43262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	38.8
71.52164	0.6
72.99178	5.1
73.02446	0.9
73.02825	12.9
75.00739	1.2
81.03345	3.2
83.01255	5.2
83.04901	3.0
85.02823	26.8
85.99984	2.9
86.03168	0.7
87.00754	18.1
87.04389	2.7
89.02318	25.6
90.02658	0.7
93.03324	0.9
95.01269	3.2
96.95865	0.9
97.02261	0.6
97.02842	7.6
99.00754	2.4
99.04392	2.0
101.02325	34.1
103.03893	9.9
109.02821	4.0
111.00757	0.9
111.04398	0.9
113.02338	14.4
113.09039	0.5
115.03890	2.4
119.02585	0.9
119.03384	10.6
123.00731	0.6
123.04443	0.6
124.01540	3.3
125.02339	23.4
126.02596	0.6
127.03911	9.8
131.03394	4.4
135.04375	0.6
137.02347	1.6
139.03864	0.5
143.03398	9.1
145.04988	5.3
149.04405	1.2
155.03412	1.1
161.02298	0.8
161.04459	1.9
161.05730	0.6
163.06029	19.2
165.01794	0.9
165.05537	0.8
173.04462	1.3
179.03329	0.6
179.05588	1.0
185.04413	2.3
185.05869	0.5
187.68318	0.6
191.05547	1.4
205.07118	6.5
233.06612	3.1
241.03526	0.6
247.08179	2.0
283.13336	1.1
289.09430	1.0
331.10461	1.3
359.25674	0.9
540.60791	0.6
553.32037	1.0
589.33997	1.5
607.34406	1.0
626.56018	0.6
728.75623	0.6
735.39667	6.0
736.40143	1.3
753.40674	21.3
754.41180	4.6
777.40662	1.8
795.41754	40.8
796.42059	10.0
863.44550	6.8
864.44482	1.7
881.45459	29.9
882.45721	6.8
899.46539	22.1
900.46729	5.2
905.46295	1.4
923.46472	24.0
924.46826	7.0
941.47473	100.0
942.47778	27.1
942.67377	0.7
983.48566	6.5
984.49731	3.1
1027.43616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	31.8
72.01582	0.6
72.99195	4.6
72.99564	0.8
73.02817	9.6
73.03193	1.0
75.00756	1.2
77.03787	0.6
79.91071	0.6
81.03336	4.7
83.01253	9.2
83.04914	1.0
85.02824	24.8
85.99982	1.8
86.03151	0.6
87.00753	16.3
87.04403	1.7
89.02319	20.8
93.03362	2.2
95.01275	2.8
95.04910	1.9
96.95903	1.7
97.02829	6.9
99.00777	2.5
99.04420	2.7
101.02327	26.3
103.03895	7.2
108.02078	0.9
109.02836	7.3
111.00798	0.8
111.04417	1.2
113.02322	14.0
113.03057	1.0
115.03929	2.2
119.03398	7.7
120.02073	0.7
121.02833	3.0
122.03611	1.0
123.00821	1.1
123.04427	1.7
124.01566	2.3
125.02339	37.3
126.02705	0.8
127.03894	7.0
131.03391	3.2
135.04442	1.8
137.02338	19.7
138.03035	0.6
138.83110	0.6
139.03940	1.6
143.03406	6.7
145.02826	0.6
145.04997	3.8
146.03651	6.7
149.02386	1.5
149.05977	0.9
150.03072	0.7
151.03969	1.8
159.04428	3.0
160.05191	0.8
161.02383	1.8
161.04547	1.1
161.05911	1.4
163.00314	1.0
163.03943	0.7
163.06044	13.1
164.01080	5.5
165.01837	13.1
167.03409	4.9
172.05202	1.6
173.05963	1.3
174.03178	2.5
175.03993	1.8
177.01872	3.0
179.03398	4.6
179.04857	0.7
185.06056	0.8
186.06873	1.2
187.03905	1.4
188.04712	2.7
189.05489	0.7
197.06088	0.9
197.11806	1.8
199.03839	0.9
200.04755	1.5
201.05487	1.3
204.04219	1.0
205.05284	0.8
205.07056	3.4
209.05861	0.7
211.03822	0.8
211.13376	1.9
212.04720	1.8
225.05602	1.6
233.06619	2.4
247.08176	1.6
251.07146	0.6
252.08081	0.7
255.13968	1.0
269.11853	1.3
270.09030	1.1
271.13409	6.5
283.13394	1.2
285.03973	1.3
285.14905	1.2
288.06604	0.7
289.06979	1.0
289.14587	1.6
294.08978	1.2
295.13406	1.2
297.14954	1.3
299.12994	2.7
301.14291	1.3
309.21222	0.7
313.14343	4.0
315.15659	0.8
325.14511	2.7
331.10626	0.8
331.15308	1.2
335.16687	1.2
337.14487	2.5
343.15475	0.9
351.16071	0.7
355.15628	1.1
379.15778	0.6
395.18585	2.0
419.18521	4.2
437.19788	1.7
463.17764	1.2
497.70004	0.7
567.24866	0.8
673.28632	1.4
701.38043	0.8
717.27423	1.5
719.40375	3.6
737.41016	14.5
738.41278	1.6
761.40631	1.5
779.42255	36.2
780.42572	5.5
821.44934	0.8
847.45288	4.9
848.45837	0.8
859.44501	4.8
860.45251	1.0
865.45935	22.4
866.46173	3.0
871.44861	3.2
872.45337	1.4
883.46765	16.4
884.47388	2.8
889.46045	4.9
890.46729	1.0
901.43939	0.7
907.46887	26.7
908.46832	4.4
925.48029	100.0
926.48450	16.9
941.47394	0.7
965.48462	3.5
966.49896	1.3
967.49115	14.5
968.49298	2.4
991.46930	3.2
992.47040	0.8
1009.47919	26.5
1010.48584	4.7
1027.48975	27.9
1028.48767	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	1029.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
78.20133	0.5
80.82456	0.6
81.03334	3.2
83.01255	7.8
88.55330	0.6
89.02313	0.7
93.03338	4.2
95.01257	2.4
95.04897	4.0
96.95890	0.8
97.02828	7.7
97.06395	0.6
99.04371	0.6
101.02304	1.1
105.03349	0.7
107.04887	1.9
108.02039	2.6
109.02840	23.9
110.03177	0.9
119.04901	0.8
121.02850	6.3
122.03631	1.0
123.00775	1.3
123.04419	17.0
125.02340	20.9
125.09660	1.1
126.02624	0.6
128.64391	0.6
131.04907	1.5
133.02872	1.3
135.04413	4.5
137.02344	22.6
138.03055	2.2
139.00232	1.1
139.03906	4.9
141.01805	1.6
145.02811	1.8
146.03606	2.0
147.04427	1.4
149.02367	8.1
149.06047	0.8
150.03111	1.4
151.03918	10.4
153.01830	1.0
158.03650	1.2
159.04419	5.4
160.05138	1.7
161.02351	6.6
161.06003	6.5
162.03197	3.0
163.00262	2.0
163.03909	4.0
164.01085	4.4
164.04671	1.6
165.01849	6.4
166.02661	0.7
167.03453	4.4
171.10260	0.8
173.05984	1.2
174.03156	1.8
175.03923	4.8
175.07489	3.0
176.01089	1.2
177.01857	3.8
177.05475	1.8
179.03407	5.5
185.06033	1.5
187.03947	6.1
188.04700	5.0
191.03407	3.1
192.04187	0.8
193.05103	1.1
201.05510	1.6
202.06264	2.5
203.03552	0.8
203.07079	16.0
204.07404	0.9
205.05003	11.4
212.04750	0.9
213.05640	0.9
217.05011	1.3
217.08699	1.0
221.04532	1.5
221.08089	2.1
223.13489	1.4
227.07074	2.0
230.05798	1.0
231.02838	1.1
245.08171	14.7
246.08392	1.2
247.05997	2.3
271.06125	1.7
277.14526	1.4
277.21774	4.8
289.07178	100.0
289.87411	0.7
290.07565	6.0
303.05121	2.6
304.05704	0.8
315.08759	1.7
325.07172	5.9
326.07162	0.8
343.08139	7.1
361.09195	1.4
707.25189	0.7
805.43317	3.0
817.46796	1.4
859.44879	3.7
861.46582	2.3
877.46808	0.9
911.48743	1.1
967.49341	3.7
968.50006	1.0
985.51324	3.2
989.33179	0.7
993.48645	4.0
994.49371	1.7
1011.49591	23.4
1012.50067	6.2
1029.50183	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	1030.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
116.92753	100.0
121.02814	27.0
125.02360	22.7
158.38347	20.1
168.32932	20.6
183.73804	17.9
210.94394	20.3
221.32228	20.5
293.21240	30.6
306.48816	19.1
995.49738	48.1
1030.50842	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	2.8
73.02830	6.1
73.43807	0.7
81.03293	1.0
83.01257	2.4
85.02821	13.6
87.00752	8.3
89.02317	15.4
95.01254	3.2
96.95946	0.9
97.02841	4.0
98.19733	1.3
98.83815	0.9
99.00758	1.2
100.50751	0.7
101.02325	21.7
102.02686	1.0
103.03883	4.1
113.02332	11.7
115.03928	1.5
119.03387	5.7
124.01575	1.9
125.02345	14.7
127.03849	1.1
129.79889	0.8
131.03403	2.2
137.02365	1.3
143.03406	6.8
145.04961	1.8
161.04480	0.8
163.06027	7.2
163.85286	0.7
179.05609	0.9
183.59865	0.8
200.56970	0.9
205.07126	3.7
247.08249	1.3
277.99493	0.8
325.20041	0.9
719.39886	3.6
737.41235	7.4
738.41235	1.7
779.42126	12.8
780.43024	2.1
856.78223	0.9
865.45959	24.9
866.46234	4.9
883.46924	26.1
884.46991	4.5
925.48029	100.0
926.48285	24.0
964.72748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01578	0.5
72.99175	3.2
73.02819	7.5
73.10695	0.3
75.00735	0.7
81.03313	0.8
83.01257	3.4
83.04897	0.3
84.60383	0.2
85.02824	14.4
85.99961	0.8
86.03133	0.4
87.00747	7.7
87.04418	1.2
89.02316	16.4
90.02664	0.3
95.01254	2.1
96.95914	0.3
97.02831	4.3
98.20498	0.3
99.00756	1.4
99.04391	0.6
101.02325	21.9
101.05960	0.4
102.02599	0.4
103.03895	5.3
105.01792	1.0
109.02802	0.6
111.00748	0.4
113.02332	9.3
115.03913	1.7
119.02593	0.4
119.03395	6.9
124.01550	2.4
125.02341	14.4
126.02728	0.4
127.03848	1.4
131.03404	2.9
143.03407	6.2
145.04951	1.9
149.04474	0.5
161.04417	1.3
163.06029	9.4
179.05513	0.6
203.24298	0.2
205.07114	3.8
219.08586	0.2
233.06699	1.2
237.82826	0.2
247.08203	1.1
267.77737	0.2
271.08270	0.3
289.09286	0.5
307.10095	0.2
397.13434	0.3
427.28677	0.3
429.29962	0.6
519.97644	0.3
537.32458	0.4
555.33026	0.3
573.34424	0.7
717.18689	0.3
719.40100	3.8
720.40912	0.4
737.41132	7.8
738.41431	1.2
779.42224	12.9
780.42468	2.6
787.18036	0.3
865.45917	28.4
866.46436	6.9
883.46985	29.5
884.34552	0.2
884.47314	7.5
925.48029	100.0
926.48370	26.6
944.51208	0.4
955.93695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.84280	0.3
73.02829	1.7
83.01282	1.9
85.02826	2.3
87.00745	0.4
89.02325	1.3
99.00758	0.6
101.02325	4.8
107.01312	1.7
108.02069	1.2
109.02835	0.9
113.02332	2.3
119.03384	0.7
121.02843	1.2
123.08062	0.8
125.02348	0.3
135.00737	0.4
148.01588	0.9
151.00270	6.8
152.00734	0.4
161.04520	0.7
161.09596	0.3
163.00331	1.6
164.01105	0.5
169.01306	0.6
177.01836	0.3
177.12787	1.5
178.99773	3.1
183.04396	0.4
187.04037	0.5
192.00165	0.3
195.13797	0.5
199.04010	0.6
201.05501	0.6
203.03430	0.4
211.04070	0.9
215.03395	0.4
216.04282	0.4
221.11810	1.1
226.02625	0.6
227.03421	1.7
229.05037	0.5
243.02959	7.4
244.03136	0.6
245.04520	1.3
254.02074	1.8
255.02980	19.1
256.03360	1.3
271.02478	40.2
272.02893	3.1
273.04019	0.5
274.62070	0.3
283.02444	0.8
299.02008	1.3
300.02750	75.6
301.03473	28.1
302.03909	1.8
401.18146	6.1
402.18469	0.7
443.19202	40.5
444.19604	3.3
463.08734	2.0
487.18921	0.5
505.09885	100.0
506.10135	8.0
604.40979	0.3
637.60809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01248	0.4
91.01765	0.3
93.03339	0.8
98.20598	1.1
107.01283	1.7
109.02828	0.8
121.02828	0.5
132.02054	0.5
135.00766	1.3
137.37633	0.3
143.04939	0.7
148.01537	0.4
151.00276	3.6
159.04385	0.8
163.00266	2.3
164.01062	0.6
165.01807	0.5
167.04915	0.4
171.04401	0.4
173.06105	0.3
178.99739	0.8
183.04440	0.6
185.05984	1.4
187.03946	2.1
189.05505	0.4
195.04625	0.6
195.19200	0.3
197.06030	0.5
199.03880	1.0
201.05464	0.5
211.03973	1.7
212.04333	0.4
213.05493	1.2
226.02554	0.6
227.03445	19.5
228.03886	1.5
229.04988	7.6
239.03464	1.4
240.04202	0.7
241.05000	0.8
243.02907	2.5
254.02206	0.6
255.02963	47.0
256.03448	4.9
257.04562	3.9
267.02878	0.6
271.02469	15.4
272.02811	1.0
283.02573	0.8
284.03259	59.5
285.04016	66.0
286.04385	3.7
299.02097	0.7
300.02731	21.1
301.03476	7.5
463.09158	0.6
489.10370	100.0
490.10785	10.6
505.09854	21.8
505.17538	0.7
506.10120	2.2
577.64252	0.4
791.51587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99174	9.5
73.02830	3.3
75.00749	2.7
81.03349	1.5
83.01247	4.7
85.02813	5.1
87.00762	17.7
89.02314	11.4
93.42947	1.4
95.01238	2.1
97.02863	3.1
99.00726	6.5
99.04363	1.5
101.02316	14.0
109.02861	1.9
111.00767	2.4
112.98688	14.5
113.02326	8.1
115.00255	22.7
119.03437	2.6
123.04456	1.7
124.98670	3.9
125.02347	12.1
127.43902	1.4
137.02319	1.7
142.99774	37.2
143.03407	3.6
145.01303	2.6
156.00528	2.9
157.01253	2.1
161.04469	4.2
173.00850	11.1
174.01611	19.9
175.02402	34.2
179.05492	3.8
183.13805	6.1
193.12251	2.0
207.13771	2.3
211.13342	100.0
212.13757	1.8
212.50032	1.4
221.06665	1.9
223.13281	1.7
235.08122	5.7
256.50735	1.6
263.12909	5.7
277.21725	54.7
278.22067	3.8
305.08673	3.2
379.12485	15.4
397.08426	2.4
397.13474	45.2
398.13907	3.8
415.14374	9.1
591.26550	12.0
609.27570	14.1
657.34924	6.0
675.36011	5.8
823.47534	1.7
828.41071	1.6
869.49133	3.8
907.45514	2.3
909.48389	3.1
919.49292	1.7
921.48529	2.4
925.47656	13.5
926.49060	3.9
939.49982	3.9
943.48804	2.8
963.49634	2.2
965.47601	15.1
966.47394	2.6
983.48956	7.5
1007.48639	2.6
1025.49939	8.8
1026.49927	1.7
1043.52002	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	1043.507
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99171	3.7
73.02820	11.1
75.00728	1.6
81.03333	2.7
83.01247	4.4
83.04888	1.0
84.02029	0.6
85.02822	22.7
85.99947	1.3
87.00751	16.6
87.04391	3.6
89.02316	20.9
93.03314	0.7
95.01255	2.9
96.95900	0.4
97.02824	7.2
99.00753	2.4
99.04381	2.0
101.02322	26.8
103.03888	7.5
108.02073	0.5
109.02845	3.5
111.00751	0.8
113.02329	13.9
115.03889	2.1
119.03387	10.0
123.00752	0.8
124.01552	3.0
125.02333	20.1
127.03899	8.7
128.77367	0.4
129.73923	0.4
131.03378	4.4
135.04422	0.5
137.02315	1.0
139.03922	0.5
143.03395	8.2
145.04955	3.7
149.04488	0.9
155.03355	0.5
159.02968	0.5
161.04474	1.4
161.05836	0.4
163.06021	14.3
167.03517	0.8
173.04463	0.5
179.03270	0.5
179.05511	1.2
185.04457	0.7
205.07098	5.2
230.97777	0.4
233.06563	3.1
247.08142	2.2
283.66840	0.5
360.95880	0.5
369.75632	0.4
606.69678	0.5
607.34735	0.8
621.79712	0.5
717.38489	0.6
735.39478	4.2
753.26874	0.7
753.40601	17.1
754.40924	2.5
777.41486	2.3
795.41724	38.8
796.42072	6.4
804.29938	0.5
837.43762	0.6
839.38049	0.6
863.44238	5.5
864.44934	0.9
881.45374	23.3
882.45532	4.3
899.46429	16.6
900.46680	1.8
902.88916	0.6
905.45160	1.9
923.46393	26.7
924.47272	5.9
941.47455	100.0
942.47864	20.3
957.45087	0.7
983.48486	14.4
984.48907	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	1045.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	3.6
73.02819	7.3
81.03302	0.7
83.01255	4.1
85.02824	16.9
85.99968	1.2
86.03164	0.5
87.00753	6.1
87.04382	1.7
89.02316	17.5
95.01272	2.8
97.02831	3.2
99.00766	1.8
99.04411	0.5
101.02322	25.6
102.02641	0.3
103.03895	3.2
109.02803	0.8
111.00771	0.8
112.01502	0.3
113.02328	13.3
115.03890	1.7
119.03386	6.4
122.05978	0.4
125.02333	3.8
127.03900	1.1
131.03421	3.8
134.05969	0.4
135.04471	0.4
137.02345	0.6
143.03407	6.7
144.03777	0.3
145.05003	1.5
147.64705	0.3
152.07091	0.8
161.04474	1.7
163.06006	4.9
173.04572	0.5
179.03342	0.6
179.05548	1.3
205.07124	3.8
244.85025	0.3
247.08215	2.1
289.09317	1.3
300.03247	0.3
308.73010	0.3
753.40851	1.1
754.40448	0.4
755.41370	0.6
796.42218	0.5
797.42310	1.3
869.54547	0.4
881.45343	3.0
882.45947	0.7
883.46484	0.9
899.46393	32.4
900.46619	6.9
900.63348	0.4
901.47650	0.7
924.46234	0.5
925.46948	1.1
941.47864	0.5
942.47784	1.0
943.47882	4.1
985.47223	1.0
1045.52222	100.0
1046.52515	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	2.9
73.02449	0.4
73.02819	5.2
75.00745	0.7
81.03345	0.5
82.05120	0.3
83.01251	3.6
83.04902	0.4
85.02825	12.6
85.99967	0.8
86.03174	0.4
87.00747	4.6
87.04386	1.0
89.02316	13.4
95.01263	2.3
97.02819	2.2
99.00770	1.6
99.04362	0.4
101.02324	18.7
102.01952	0.3
103.03900	3.1
109.02826	0.3
111.00748	0.3
113.02328	11.6
115.03864	1.7
119.03386	4.6
125.02330	2.1
127.03904	0.7
129.01788	0.3
131.03384	2.7
135.04419	0.3
137.02267	0.3
143.03416	5.3
143.65782	0.3
145.01318	0.5
145.04947	1.7
152.07033	0.4
158.44505	0.2
161.04439	0.8
163.06000	3.5
173.04433	0.4
175.02490	0.3
175.18039	0.3
179.03436	0.3
179.05667	0.3
205.07083	2.2
247.08148	1.1
289.09253	0.9
753.40948	2.6
881.45374	3.5
882.46130	0.7
899.46466	29.6
900.46869	5.8
1045.52234	100.0
1046.52393	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02349	10.3
77.47008	0.4
79.95630	0.6
80.03732	0.7
81.04450	0.8
82.02861	1.6
86.02347	4.7
86.05970	0.8
86.97386	0.4
86.98990	1.0
87.05512	2.4
97.03959	1.6
97.17420	0.5
99.05525	8.4
100.00293	0.7
101.07100	1.7
102.05483	1.6
109.03956	2.0
109.07607	0.6
111.05539	1.2
112.03940	0.8
116.01655	0.8
123.05534	1.1
124.03896	0.6
124.07581	0.5
125.02471	0.6
125.03469	2.2
126.01807	0.5
127.05074	2.5
128.03429	31.6
129.03842	0.5
135.05539	2.8
137.07077	0.9
141.06578	2.5
143.04529	38.7
145.06097	2.1
146.04494	3.1
153.06644	2.6
155.08205	0.7
160.00667	10.2
166.09755	1.5
167.04506	2.0
167.08156	1.9
170.03224	0.7
171.07669	1.2
177.03293	3.9
179.04553	8.8
181.06100	1.4
185.05602	1.8
192.07751	0.9
197.05579	1.4
199.07193	0.9
210.08765	8.7
210.10735	0.5
211.13240	0.7
228.09953	0.8
242.07780	0.6
244.09398	0.6
254.07808	11.2
272.08868	22.1
273.09262	0.9
277.21793	0.8
288.06580	5.6
304.06131	0.7
306.07651	100.0
307.07974	3.6
314.07904	0.6
320.09299	0.5
332.09201	6.6
567.35004	0.6
1000.51855	0.6
1046.49890	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	1046.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02348	10.8
81.04468	0.9
82.02862	1.1
84.04441	0.7
85.03956	0.6
86.02361	4.1
86.06004	0.5
86.98967	1.2
87.05508	2.8
88.03905	0.5
90.00056	0.9
96.04428	0.5
97.03943	1.4
99.05524	9.6
101.07070	1.4
102.05476	1.4
107.06033	0.8
109.02822	0.5
109.03985	2.2
109.07571	0.6
110.02361	0.6
111.05517	0.8
112.03915	1.6
116.01632	0.8
123.05543	1.1
124.03942	0.7
125.02329	1.1
125.03474	1.5
126.01817	0.4
127.05006	2.0
128.03432	29.8
129.03796	0.6
131.04520	0.5
135.05550	3.8
137.02377	0.8
137.07130	0.9
141.06651	2.2
143.04527	33.5
144.04962	0.5
145.06068	2.1
146.04486	3.2
153.06639	2.5
155.08095	0.6
160.00665	9.8
165.01906	0.5
166.09734	2.1
167.04567	2.8
167.08174	2.2
170.03244	0.7
171.04021	0.7
171.07716	1.0
177.03290	2.8
177.04602	0.4
179.04565	8.0
181.06100	1.1
184.10677	0.6
185.05629	1.2
192.07729	0.6
197.05676	1.3
199.07114	0.4
210.08784	7.5
211.13383	0.6
228.09807	0.7
242.07898	1.0
244.09282	0.4
244.20801	0.4
254.07802	10.8
272.08890	19.9
273.09189	0.9
277.21738	0.6
287.05447	0.5
288.06561	5.1
289.06989	0.6
293.21472	0.5
304.06122	2.3
305.08554	0.9
306.07657	100.0
307.07968	3.8
314.08072	0.5
328.22278	0.5
332.09229	4.3
1011.49426	0.6
1046.50354	2.8
1047.50330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20582	41.9
109.02838	26.4
116.92729	24.8
121.02876	34.0
125.02312	54.8
137.02350	33.3
165.01740	29.2
200.56819	22.0
229.47607	23.2
240.97223	21.3
264.67017	21.3
277.21805	37.7
289.07172	72.7
303.05289	32.9
381.35995	22.3
1011.49487	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99185	2.2
73.02817	5.9
73.82643	0.1
75.00739	0.4
81.03337	0.6
83.01257	3.9
83.04929	0.2
84.02031	0.2
85.02824	13.7
85.99981	1.0
86.03149	0.3
87.00755	5.6
87.04383	1.6
89.02318	11.8
94.08120	0.1
95.01262	2.6
95.74297	0.1
97.02830	2.4
98.20600	0.3
99.00762	1.9
99.04398	0.3
101.02324	20.3
102.02655	0.4
103.03896	1.8
104.42880	0.1
105.01842	0.3
109.02834	0.4
111.00785	0.9
112.01574	0.7
113.02331	11.0
115.03902	1.6
119.03390	4.7
124.01532	0.2
125.02346	2.2
127.03900	0.5
129.01816	0.3
131.03404	3.0
137.02324	0.2
142.02626	0.2
143.03404	4.4
145.04988	1.0
149.04413	0.2
159.02876	0.6
161.04480	0.8
161.17685	0.1
163.06047	1.6
169.47690	0.1
173.04541	0.1
174.56422	0.1
179.03366	0.1
179.05623	0.1
183.15399	0.1
191.05530	0.1
205.07104	1.9
247.08194	0.5
289.09384	0.3
295.65643	0.1
413.30658	0.4
431.31519	1.1
575.35883	0.4
593.37128	0.5
739.41693	0.2
755.42303	1.9
881.60352	0.2
883.46851	2.1
884.47052	0.4
885.48444	0.7
899.46112	0.3
901.47992	17.4
902.48285	3.2
934.07312	0.1
941.47870	0.9
1038.23022	0.2
1047.53809	100.0
1048.54077	23.7
1049.54297	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02821	10.8
75.00745	1.3
80.07180	0.3
81.03346	2.1
83.01264	4.4
83.04878	0.8
84.02004	0.4
85.02826	22.9
85.99976	1.7
86.03108	0.5
87.00751	15.6
87.04387	1.9
89.02318	24.0
95.01257	2.6
97.02831	6.9
99.00780	2.5
99.04391	1.5
101.02327	27.4
102.02655	0.4
103.00249	0.8
103.03891	9.4
108.02013	0.4
109.02839	2.9
111.00753	0.4
111.04368	0.4
113.02334	13.5
115.03896	2.9
119.02586	0.5
119.03392	8.7
124.01537	2.3
125.02345	19.4
127.03906	7.8
130.27232	0.3
131.03401	4.5
137.02393	0.3
141.01802	0.5
143.02371	0.5
143.03407	7.9
145.04964	3.7
149.47737	0.3
155.03400	0.5
161.04449	1.8
163.06036	15.3
164.06349	0.7
167.03371	0.6
179.05565	1.2
185.04465	1.5
187.05966	0.4
205.07108	5.2
229.06952	0.4
233.06584	3.3
247.08311	2.2
271.08261	0.6
289.09329	0.6
307.10205	0.5
331.10278	0.6
429.30026	0.5
507.93665	0.3
526.85034	0.4
537.31873	0.4
573.34253	0.7
591.35938	0.7
701.39050	0.6
719.39850	3.8
720.40173	0.9
737.41138	20.4
738.41504	4.5
753.36005	0.3
761.40875	2.6
762.42590	0.9
779.42230	39.2
780.42651	9.1
821.43787	0.5
847.44727	5.4
848.45563	1.6
865.45911	26.8
866.46136	5.8
871.44666	0.5
883.47003	21.3
884.47321	5.8
889.46313	1.1
907.46948	24.5
908.47345	6.0
925.48041	100.0
926.48358	27.3
967.49048	7.8
968.48889	2.5
1053.16492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02818	11.5
75.00739	0.7
81.03329	2.4
83.01256	4.5
83.04855	0.7
84.02044	0.4
85.02823	23.1
85.64323	0.3
85.99973	1.8
87.00749	15.8
87.04401	1.7
89.02319	24.1
95.01273	3.0
97.02826	7.0
98.19954	0.4
99.00761	2.2
99.04403	1.7
101.02322	28.0
101.05933	0.6
103.00230	0.7
103.03888	9.6
109.02834	3.5
111.00747	1.0
111.04360	0.7
112.01514	0.6
113.02338	14.4
115.03880	2.8
119.03391	9.4
121.22038	0.3
124.00806	0.3
124.01559	3.3
125.02341	18.8
127.03901	9.2
131.03400	5.0
137.02277	0.5
143.03404	9.0
145.04971	4.1
147.04263	0.4
149.04422	0.4
151.03836	0.5
155.03328	0.4
161.04352	1.3
163.06023	16.2
167.03294	0.6
179.05420	1.3
185.04358	1.1
205.07123	5.3
215.87210	0.3
233.06586	3.2
247.08250	1.8
271.08197	0.7
289.09247	0.8
307.10373	0.4
322.71603	0.3
331.10193	0.7
351.46545	0.3
385.21597	0.3
388.31998	0.4
429.29956	1.1
525.32019	0.7
537.32422	0.5
555.33240	0.6
573.34521	0.9
591.34979	0.9
633.36389	0.5
701.38867	0.5
719.40088	5.6
720.40588	0.5
737.41199	22.0
738.41699	3.0
761.40991	2.8
762.41467	0.8
779.42206	43.1
780.42603	7.4
793.78632	0.4
821.43140	0.9
847.44910	5.9
848.45233	1.2
865.45844	29.8
866.46161	5.5
871.45178	0.6
883.46991	24.8
884.47345	4.2
889.45947	1.0
907.46997	23.4
908.47260	5.1
925.48022	100.0
926.48419	20.2
967.49194	7.3
968.49579	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.471
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02824	15.3
75.00716	1.0
76.32881	0.8
81.03323	2.7
83.01275	4.7
85.02824	30.4
85.99960	2.7
87.00754	18.6
87.04388	2.3
88.98705	1.0
89.02323	30.6
90.81371	0.9
95.01254	3.7
96.95903	4.3
97.02830	10.3
99.00753	2.4
99.04404	1.0
100.16273	0.9
101.02325	47.1
103.03894	14.1
109.02872	2.0
111.00744	1.5
111.04408	1.1
113.02331	20.4
115.03905	3.3
119.02575	1.3
119.03385	11.9
124.01543	4.0
125.01454	1.9
125.02339	32.8
127.03910	5.2
131.03427	6.4
143.03410	12.6
143.04459	1.7
145.04935	4.3
149.02408	1.0
161.04439	1.8
163.06030	23.8
179.05600	1.3
196.23370	0.8
205.07103	7.5
233.06607	3.3
247.08290	4.4
271.08246	0.9
276.02307	1.0
278.07068	0.8
289.09290	2.0
291.19992	0.9
325.17258	1.0
579.33032	1.0
596.29675	1.1
615.35248	3.6
633.36127	1.2
737.40790	1.8
761.41211	11.4
762.40662	2.0
779.42151	45.7
780.42737	6.1
821.43280	28.1
822.43451	6.3
865.45508	2.4
883.45886	1.8
907.46948	49.8
908.47302	11.6
925.48022	100.0
926.48218	17.6
967.49097	75.6
968.49341	18.1
1055.51013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02818	11.7
75.00750	0.7
81.03336	3.2
83.01260	4.2
83.04884	0.8
83.40881	0.3
85.02823	24.0
85.99969	1.6
86.03168	0.3
87.00752	16.1
87.04388	2.0
88.01102	0.4
89.02320	24.8
93.03336	0.4
95.01268	2.8
97.02831	7.1
99.00774	2.3
99.04390	2.1
101.02324	29.1
102.02652	0.4
103.00249	0.7
103.03891	8.9
108.02065	0.5
109.02843	3.2
111.00754	0.6
111.04408	0.5
112.01559	0.4
113.02337	14.0
114.76251	0.3
115.03889	3.3
119.03393	9.5
123.00713	0.5
123.04414	0.4
124.01570	2.8
125.02340	21.0
126.02659	0.7
127.03902	9.5
131.03389	4.3
131.04280	0.5
137.02365	0.6
139.03882	0.6
143.03404	8.8
145.04980	4.4
149.04424	0.6
155.03365	0.4
161.04428	1.4
163.06036	17.2
164.06227	0.2
165.05447	0.6
179.05498	1.1
185.04504	1.6
187.05956	0.3
203.05603	0.3
205.07117	4.7
219.08740	0.3
227.05585	0.4
228.74184	0.3
233.06659	3.1
235.06209	0.3
240.87007	0.3
247.08202	1.9
253.07011	0.3
289.09326	0.7
442.10611	0.3
525.32098	0.5
537.31964	0.6
573.34198	1.1
591.35309	1.1
592.22516	0.3
612.35132	0.3
633.36475	0.9
701.38965	1.0
719.40112	5.1
720.40356	1.2
733.94232	0.3
737.41193	24.3
738.41571	4.9
761.40906	2.5
762.41284	0.4
779.42249	42.9
780.42480	9.6
821.43469	0.7
847.44775	5.1
848.45490	0.7
865.45898	30.8
866.46381	6.3
883.46973	24.1
884.47302	5.4
889.46802	1.4
890.46863	0.5
907.46991	24.1
908.47302	5.4
925.48029	100.0
926.48438	24.0
967.49011	7.3
968.49609	2.4
1002.98663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02445	1.0
73.02820	11.7
74.32993	0.5
77.01671	0.5
81.03315	1.9
83.01265	5.1
85.02823	19.0
85.99972	1.3
87.00748	17.3
87.04383	1.7
89.02320	21.0
95.01287	2.7
97.02834	6.1
98.89089	0.6
99.00751	2.0
99.04390	1.5
101.02324	26.2
103.00220	0.9
103.03909	8.7
107.95332	0.6
109.02863	3.1
111.00761	0.7
113.02335	12.6
115.03889	2.5
115.10432	0.5
119.03397	8.2
122.74348	0.5
124.01527	2.2
125.02340	18.3
127.03905	8.1
130.72102	0.7
131.03397	3.9
137.02315	0.8
143.03419	6.9
145.04951	4.2
149.04445	0.7
161.04439	1.0
163.06038	15.6
179.05507	0.9
185.04460	1.1
205.07088	5.7
205.16389	0.6
215.34544	0.6
233.06691	3.4
247.08197	1.4
250.76447	0.6
405.74722	0.6
410.72244	0.6
573.34125	1.0
591.35223	1.0
598.97363	0.7
701.38861	1.0
719.39911	4.5
720.40692	0.8
737.41162	18.6
738.41724	3.6
761.41248	2.1
779.42212	39.6
780.42725	7.7
847.44604	5.6
848.46082	1.4
865.45831	24.1
866.46088	6.8
883.47058	20.0
883.59857	0.4
884.47687	4.3
889.45367	1.3
907.46832	23.9
908.47290	6.4
925.48004	100.0
926.48389	24.2
926.64014	0.5
967.49139	8.6
968.49341	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	1057.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01251	0.5
93.03320	0.4
107.01271	2.0
108.02043	0.6
109.02821	1.0
119.01251	0.3
121.02829	1.4
124.01472	0.2
125.02286	0.2
135.00766	0.5
143.04968	0.2
143.84621	0.1
148.01564	0.9
149.02361	0.3
151.00278	8.1
152.00742	0.2
153.01860	0.2
161.02341	0.2
163.00310	1.5
163.03844	0.1
164.00995	0.4
169.01366	0.5
171.04353	0.2
178.99779	3.9
183.04414	0.6
185.05937	0.2
187.03833	0.3
190.99808	0.2
192.00635	0.3
193.01183	0.2
199.03897	0.4
201.01950	0.2
201.05508	0.3
203.03395	0.3
211.03880	0.8
215.03471	0.4
216.04240	0.2
226.02625	0.9
227.03458	3.7
228.03865	0.3
229.04956	0.7
239.03523	0.3
243.02963	6.9
244.03448	0.6
245.04546	1.0
254.02199	1.4
255.02968	19.9
256.03372	1.3
257.04501	0.4
266.02014	0.2
271.02475	38.3
272.02902	3.3
273.04019	0.9
283.02496	1.2
284.03262	4.6
285.03766	0.5
299.01947	1.2
300.02737	84.3
301.03464	40.3
302.03857	2.4
343.04572	0.5
349.26154	0.2
463.08810	100.0
464.09125	10.7
557.92633	0.2
593.15155	5.0
594.15320	0.4
965.82727	0.2
1088.65552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
78.07027	0.6
83.01255	2.0
85.02824	9.8
85.99986	0.6
87.00755	7.4
87.04366	1.3
88.98681	42.2
89.02316	12.3
89.02856	1.3
95.01259	1.7
97.02831	4.0
97.52708	0.5
99.00764	0.9
99.04387	0.6
101.02322	16.6
103.03893	4.3
105.81548	0.6
109.02806	1.2
113.02320	7.4
115.03860	0.8
119.03391	4.5
124.01559	2.7
125.02343	13.0
127.03895	0.6
128.03403	0.8
131.03395	3.5
133.04926	1.9
137.02338	1.7
143.03424	4.3
143.04482	1.0
145.05013	1.2
149.04442	0.7
163.06033	7.0
165.01831	0.9
167.03265	0.6
168.17123	0.6
205.07123	3.1
211.13167	0.7
220.24689	0.7
233.06674	0.9
247.08131	1.0
303.05118	0.8
306.07669	1.6
324.82132	0.7
495.68686	0.7
592.80359	0.7
719.40118	4.8
737.41107	8.0
738.41742	0.9
779.42230	12.4
780.42468	1.4
865.45856	26.3
866.46350	4.8
883.46924	30.8
884.46808	6.0
925.48035	100.0
926.48499	21.9
1041.49951	0.9
1059.50391	3.7
1060.51050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00739	1.8
80.96396	2.6
81.03345	1.3
85.02817	8.5
87.00745	2.0
89.02321	1.4
93.03335	18.0
96.28561	0.9
101.02341	3.2
109.02814	2.7
111.04396	4.1
121.02829	1.1
125.02324	2.6
127.03888	2.0
130.04082	1.1
133.02861	2.0
134.03682	0.9
137.02338	3.9
145.66798	0.9
146.03677	1.2
155.03406	2.7
158.03644	3.4
159.04439	4.4
160.05214	2.5
161.05995	1.2
165.01860	1.7
172.05231	14.1
173.04459	16.1
173.05991	4.5
174.04646	1.0
174.06789	1.2
177.01846	2.7
183.04417	1.0
185.05969	2.8
186.06796	2.0
187.03978	8.4
187.07497	1.6
191.05544	30.8
197.05949	1.4
199.03979	2.3
199.07401	1.0
200.04774	2.4
200.10454	0.9
200.71918	0.9
201.05453	4.0
202.06308	8.7
204.04205	4.7
209.11852	1.0
213.05704	0.9
225.00606	1.8
227.03517	5.2
228.04237	1.6
239.14333	1.5
255.13814	2.4
257.15454	2.2
265.12338	1.3
277.21671	5.9
283.13409	100.0
284.13745	6.4
285.14969	2.1
299.16556	3.5
301.14444	21.3
302.14890	1.9
309.14941	17.1
311.12930	5.9
312.13351	1.1
317.17688	1.2
327.12344	9.6
327.16022	29.6
328.16388	2.3
329.13904	2.5
345.13330	2.9
345.17053	5.5
353.13919	5.9
371.14914	1.5
397.13416	1.8
526.03558	0.9
537.23322	1.8
544.39648	0.9
563.24640	1.4
565.23242	0.9
581.25812	5.1
607.24072	1.2
797.44043	2.1
823.45605	4.1
824.46564	1.4
825.44482	3.0
841.47156	38.2
842.47388	5.3
867.45465	22.9
868.45313	4.1
885.46472	86.9
886.46606	15.4
1059.51428	46.0
1059.74573	2.0
1060.52087	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	1069.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00832	1.1
79.95237	1.2
79.95735	4.7
81.02990	0.8
81.03458	2.4
83.01391	3.8
83.05006	0.7
84.02129	0.5
85.02385	3.2
85.02958	22.9
86.00103	1.6
87.00312	1.9
87.00891	15.0
87.04052	0.6
87.04533	1.6
89.01847	2.5
89.02460	17.9
95.01422	2.3
96.95033	1.8
96.96040	48.8
97.02983	5.5
97.95921	1.0
98.94939	1.1
98.95620	11.4
98.96437	1.9
99.00915	2.1
99.04556	2.6
99.91885	2.7
99.92616	23.7
100.92633	0.7
100.93338	0.5
101.01745	2.4
101.02480	24.2
102.02791	0.6
103.00365	1.0
103.04048	8.1
109.02998	2.6
111.00888	0.9
112.01691	0.5
113.01640	1.0
113.02496	13.4
115.04066	2.7
115.91251	2.1
115.92135	25.3
116.92916	45.0
117.92920	2.0
119.02643	0.8
119.03564	8.5
123.00892	0.6
124.00954	0.7
124.01743	2.1
125.01502	1.8
125.02515	22.3
127.03919	7.8
131.03583	4.7
133.27469	0.5
137.02423	0.6
139.04012	0.5
140.92847	0.6
141.01738	0.7
141.93675	0.9
143.03603	9.0
145.05167	3.8
161.04648	1.2
163.06032	18.5
169.93260	0.8
170.93967	1.1
179.05725	0.7
184.91913	1.0
185.04663	1.2
205.07101	4.3
212.31223	0.5
228.92282	0.5
233.06606	3.1
243.97000	0.7
247.08551	2.0
271.08246	0.5
289.09610	0.7
305.75781	0.5
331.10587	0.7
551.30396	0.7
554.82800	0.5
569.32007	0.7
587.32806	1.4
605.33429	1.3
715.37018	1.1
733.38000	6.9
734.38403	1.3
751.39075	26.5
752.39221	3.0
775.39557	2.9
793.40192	42.0
794.40503	7.1
803.34265	0.6
821.43890	0.6
857.12927	0.6
861.42450	5.3
862.43420	1.1
879.43781	30.3
880.44281	5.1
885.42645	0.8
897.44849	27.8
898.45734	4.3
903.44092	1.6
921.44885	23.0
922.45648	4.2
925.49554	0.8
927.48749	0.8
939.45990	100.0
940.46216	18.4
947.37646	1.6
948.36597	0.7
965.40997	0.6
967.50146	1.0
981.46826	6.8
982.46753	1.3
983.39996	1.5
989.38385	1.2
1025.40247	10.3
1026.40527	3.5
1033.37305	1.1
1069.39404	25.6
1070.39551	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	1069.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95602	5.5
81.03336	3.4
83.01270	4.6
85.02827	30.0
85.99978	2.4
87.00752	16.4
87.04404	2.1
88.98721	1.2
89.02317	24.1
93.55944	1.5
95.01253	2.4
96.95891	50.8
97.02840	6.2
98.20586	3.2
98.95471	11.6
98.96305	2.3
99.00705	2.2
99.04392	6.1
99.92461	18.4
100.92557	1.3
101.02322	29.4
103.03893	10.2
109.02844	3.3
113.02337	16.5
113.14944	1.2
115.03946	2.2
115.91972	21.4
116.92745	37.6
117.92754	2.0
119.03371	9.4
124.01566	3.0
125.02343	26.4
127.03928	9.0
131.03389	3.4
137.02354	2.2
143.03412	9.3
145.04939	4.8
161.04459	2.9
163.06042	16.9
180.31718	1.6
205.07108	4.8
233.06697	1.5
243.97002	1.5
247.08279	2.2
289.06995	2.0
368.34921	1.7
408.07837	1.6
524.97015	1.4
733.38031	6.9
751.39203	28.7
752.39465	4.5
775.38818	4.8
793.40222	42.1
794.40497	7.1
861.42267	5.1
879.43854	30.1
880.43988	5.3
897.44855	30.8
898.44958	3.0
921.44946	25.4
922.44653	3.2
927.48657	2.2
939.45959	100.0
940.46210	16.5
981.46759	6.2
1025.40845	5.9
1026.39307	2.9
1069.38599	16.5
1070.40527	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	1071.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00737	1.2
77.06748	0.3
78.95725	0.3
81.03343	2.1
83.01257	3.1
83.04896	10.1
84.02053	0.3
85.02821	20.3
85.99974	2.0
86.03159	0.3
87.00748	13.7
87.01280	0.7
87.04390	7.5
89.02316	16.4
93.03326	0.5
95.01270	1.8
95.04431	0.2
95.04908	2.1
97.02827	5.5
99.00732	1.6
99.04395	5.0
99.08040	0.5
101.02320	23.0
101.05957	1.8
103.00224	0.6
103.03897	6.2
109.02824	2.9
111.00759	0.8
111.04419	0.4
113.02335	9.7
113.05936	0.8
113.79358	0.3
115.03903	2.0
116.92743	0.5
117.92724	0.4
119.03390	6.4
123.04443	0.4
124.01571	1.9
125.02338	16.7
125.05988	0.4
126.02625	0.3
127.03902	6.9
127.06609	0.6
127.07545	8.9
128.07800	0.3
129.05481	0.4
129.09125	2.2
131.03394	4.1
131.07036	25.5
132.07364	0.7
137.02338	0.6
143.02374	0.5
143.03407	7.7
145.04996	3.1
149.04457	0.4
154.08000	0.3
155.03378	0.4
157.08606	12.7
158.08954	0.5
161.04462	1.5
163.00156	0.3
163.06032	13.1
165.05437	0.5
167.03435	0.4
179.05450	1.0
185.04497	0.6
205.07085	5.9
206.07404	0.4
233.06616	3.1
239.55219	0.3
247.08232	2.6
257.11530	0.3
289.09543	0.6
313.21744	0.6
318.51306	0.3
395.11026	0.3
409.23758	0.5
421.24023	0.3
432.75317	0.3
445.29642	1.3
457.25803	0.6
553.31812	1.1
571.32947	0.5
577.29944	0.8
589.34003	0.3
595.31000	3.4
596.31567	0.6
603.31708	0.6
607.34851	0.9
619.30414	0.6
621.32660	3.3
637.32269	5.9
638.32404	0.7
645.32733	0.3
649.36041	1.7
650.35461	0.4
663.33765	2.3
664.34296	0.6
705.34552	0.9
717.39038	0.9
723.36255	2.5
731.36511	0.8
735.39514	5.9
736.40027	1.3
741.37726	0.5
749.37158	1.1
750.37854	0.4
753.40613	16.0
754.40582	2.6
765.37048	7.6
766.37323	1.3
777.40790	2.5
778.41357	0.9
783.37982	2.2
791.38672	5.1
792.38660	1.2
795.41705	37.1
796.42096	7.5
809.40363	0.7
837.42737	0.6
863.44342	5.6
864.44672	1.6
881.45380	25.7
882.45605	6.1
887.44611	0.6
899.46472	23.3
900.46637	4.5
905.45892	1.5
906.45282	0.5
923.26654	0.4
923.46356	21.1
924.46960	5.4
941.47461	100.0
942.47797	23.6
983.48535	8.1
984.48767	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	1071.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00729	0.9
81.03325	2.3
83.01256	4.3
83.04882	0.7
85.02821	19.8
85.99947	1.5
86.03124	0.3
87.00748	14.1
87.04388	1.3
88.01067	0.3
89.02315	19.7
90.02625	0.4
95.01262	2.9
96.95882	0.4
97.02824	6.1
99.00757	1.9
99.04375	1.8
101.02321	26.5
102.02650	0.5
103.00245	0.9
103.03889	7.9
108.02056	0.3
109.02856	2.8
111.00753	0.6
112.01569	0.4
113.02332	13.1
115.03920	1.8
119.02592	0.5
119.03387	7.8
123.00697	0.4
123.04391	0.3
124.01543	2.5
125.02336	18.3
127.03905	8.1
131.03386	3.6
137.02342	0.4
143.02382	0.5
143.03404	7.5
145.04973	5.0
149.02344	0.3
151.03851	0.6
155.03386	0.6
161.04512	1.7
163.06027	15.7
164.06311	0.4
165.05536	0.4
167.03343	0.4
170.67256	0.3
177.01744	0.3
179.05496	1.0
179.07001	0.4
185.04434	1.3
205.07101	4.9
229.06966	0.4
233.06641	3.1
247.08194	2.0
271.08197	0.6
289.09280	1.0
307.09988	0.4
331.10233	0.4
371.25772	0.5
423.08585	0.3
445.29419	0.6
553.31586	0.8
571.33234	0.5
589.33484	0.9
607.34839	0.6
649.35858	0.5
717.38367	0.8
735.39587	4.9
736.39667	0.8
742.38306	0.3
753.26819	0.7
753.40619	20.5
754.40814	3.6
777.40729	2.6
795.41711	37.9
796.41968	7.2
837.42896	0.6
855.24945	0.3
863.44440	5.1
864.45221	1.1
881.45343	27.9
882.45636	5.7
882.92157	0.3
887.44263	0.5
899.46405	20.3
900.46869	4.2
905.45764	1.5
923.46399	24.5
924.46606	5.7
941.47455	100.0
942.47754	23.8
942.67542	0.7
983.48474	10.2
984.48682	2.9
1017.19354	0.4
1029.51624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00731	1.5
81.02978	0.2
81.03331	3.0
83.00803	0.4
83.01250	4.5
83.04879	1.1
85.02822	25.9
85.99966	2.0
86.03129	0.3
87.00751	17.4
87.04389	1.8
88.01055	0.4
89.02317	21.6
93.03315	0.5
95.01260	3.0
96.01567	0.3
97.02254	0.5
97.02831	6.8
99.00751	2.1
99.04390	2.4
101.02322	30.7
101.05945	0.3
102.02648	0.4
103.00226	0.4
103.03888	8.1
109.02841	3.1
111.00723	0.8
111.04350	0.5
113.02329	15.7
115.03886	2.7
119.03390	9.8
121.02786	0.5
124.01567	2.4
125.02335	20.5
126.02626	0.3
127.03905	9.6
128.04187	0.4
130.64125	0.3
131.02493	0.3
131.03404	4.3
132.03784	0.3
137.02344	0.5
139.03865	0.5
143.03397	8.8
145.04974	4.7
149.04372	0.9
151.03897	0.4
155.03345	0.4
161.04420	1.5
163.06032	18.7
164.06306	0.6
165.05484	0.4
167.03401	0.7
179.05479	0.8
185.04422	1.4
203.05550	0.3
205.07117	5.3
230.32037	0.4
233.06621	2.9
247.08199	2.3
271.08218	0.5
289.09335	0.7
307.10257	0.6
311.91608	0.3
331.10168	0.8
352.07462	0.3
406.44525	0.3
427.28604	0.6
445.29648	0.5
538.97968	0.3
553.31140	0.6
571.32831	0.5
589.33588	0.7
607.34613	0.5
649.35724	0.7
717.38098	1.0
735.39569	6.1
736.39673	1.3
753.40619	22.2
754.40729	3.7
777.40747	2.6
795.41681	42.1
796.42096	8.6
837.42944	0.6
858.19678	0.3
863.44305	5.4
864.44318	1.1
881.45416	31.1
882.45618	6.8
887.43372	0.4
899.46442	24.4
900.46936	4.4
905.45770	1.2
923.46417	23.9
924.47064	5.4
941.47443	100.0
942.47784	25.0
942.67102	0.8
983.48615	7.3
984.48956	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00757	1.1
77.21967	0.3
81.03343	3.1
83.01255	4.4
83.04882	0.9
84.02005	0.4
85.02824	24.9
85.99960	2.0
87.00748	16.2
87.04396	3.3
89.02319	21.8
95.01260	3.4
97.02832	6.5
98.19772	1.0
99.00750	1.5
99.04409	1.7
99.04946	0.3
101.02324	26.5
102.02637	0.5
103.00258	1.1
103.03885	8.8
108.02047	0.4
109.02821	3.0
111.00768	0.7
111.04412	0.7
113.02332	14.0
115.03909	2.9
115.77647	0.3
119.03387	10.0
123.04463	0.4
124.01553	3.3
125.02344	21.0
127.03902	9.1
131.03392	4.1
137.02391	0.5
143.02370	0.6
143.03406	8.8
145.04990	4.6
149.04443	0.5
155.03404	0.5
161.04462	1.5
161.49187	0.3
163.06029	19.5
165.05530	0.4
167.03426	0.7
169.04939	0.3
179.05486	1.0
185.04494	1.6
189.68124	0.3
203.05542	0.5
205.07152	5.2
230.17256	0.4
233.06653	4.1
247.08180	2.1
271.08258	0.6
289.09344	1.3
307.10751	0.4
331.10690	0.4
381.61880	0.4
445.29541	0.9
464.76773	0.4
541.31866	0.6
553.31598	0.9
566.90729	0.4
571.32941	0.5
589.33472	1.0
607.34662	0.8
717.38770	0.8
730.90161	0.4
735.39337	5.7
736.39697	0.9
753.40668	24.1
754.41260	4.3
777.40521	2.7
778.40997	0.5
795.41742	42.1
796.42053	8.2
837.42566	0.9
863.44373	5.2
864.44672	1.0
881.45361	31.8
882.45844	5.7
899.46448	23.6
900.47003	5.1
905.44977	1.4
906.45178	0.6
923.46478	22.2
924.46985	6.2
941.47455	100.0
942.47772	23.9
983.48566	8.0
984.49078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00747	1.1
81.03319	2.1
83.01266	4.6
83.04900	1.1
85.02821	24.1
85.99981	1.6
86.03166	0.5
87.00753	15.0
87.04374	2.7
89.02316	21.1
93.03316	0.6
95.01275	3.5
97.02830	6.8
99.00761	2.2
99.04392	2.5
101.02324	29.9
102.02692	0.6
103.00202	0.5
103.03893	8.9
108.02041	0.6
109.02832	3.0
111.04390	1.0
113.02326	15.0
115.03912	2.6
119.02584	0.6
119.03397	8.5
123.00737	0.8
123.04432	0.6
124.01565	2.4
125.02341	21.1
125.57008	0.5
126.02683	0.6
127.03893	6.4
129.01866	0.7
131.03380	4.6
135.04370	0.6
136.25296	0.5
137.02296	1.6
139.03909	0.5
143.02370	0.7
143.03400	9.1
145.04988	4.6
161.04425	1.7
163.06026	14.8
165.05534	0.5
167.03387	1.0
177.01784	0.5
179.03433	0.8
179.05507	0.9
185.04413	0.7
191.05623	0.6
205.07062	5.6
233.06616	3.4
247.08249	1.7
255.10286	0.6
257.08194	1.1
457.40234	0.6
607.35406	0.9
649.35413	0.6
735.39636	4.6
736.40674	1.0
753.40674	18.9
754.40662	3.3
777.40625	1.6
795.41791	36.4
796.42181	8.6
837.43048	1.0
863.44757	4.2
864.44647	1.1
866.23291	0.6
881.45471	25.1
882.45752	4.9
899.46436	20.3
900.47003	3.4
905.45795	1.4
923.46320	23.6
924.46991	4.8
925.46906	0.5
941.47473	100.0
942.47797	19.0
942.67444	0.7
983.48602	9.4
984.49835	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	1071.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00723	0.6
76.82735	0.3
81.03324	1.7
83.01263	2.9
83.04874	0.5
84.01999	0.3
85.02824	14.7
85.83502	0.2
85.99935	1.0
86.03129	0.5
87.00754	10.9
87.04368	1.3
88.01041	0.3
89.02316	13.9
95.01282	1.8
97.02251	0.4
97.02826	5.3
98.20500	0.4
99.00726	1.0
99.04359	1.1
101.02324	17.1
103.00293	0.6
103.03888	6.4
107.01181	0.3
109.02841	2.2
111.00710	0.5
111.04355	0.2
113.02329	8.8
115.03902	2.0
116.02461	0.3
118.53352	0.3
119.02599	0.4
119.03391	6.6
124.01590	1.7
125.02343	14.0
127.03907	6.1
131.03403	2.7
137.02316	0.3
143.03403	5.2
145.03998	0.4
145.04982	3.8
149.04442	0.3
151.03856	0.3
155.03432	0.4
161.04465	1.2
163.06033	14.6
164.06323	0.5
167.03439	0.3
179.05475	0.9
185.04431	1.0
205.07094	3.4
227.05591	0.3
229.07082	0.4
233.06641	3.0
247.08237	1.7
253.07059	0.3
265.09366	0.4
271.08310	0.4
273.86188	0.3
289.09204	0.9
307.10211	0.4
331.10165	0.3
341.42468	0.3
343.34348	0.3
371.25864	0.5
407.09079	0.3
445.29660	0.7
458.33640	0.3
553.31433	0.5
571.33295	0.4
589.33606	0.9
607.35107	0.6
610.17389	0.3
649.35699	0.5
717.38098	1.0
735.39642	4.5
736.40216	0.9
753.40613	19.9
754.40930	4.3
777.40637	1.8
778.40503	0.6
795.41705	40.3
796.42023	8.3
837.43188	0.6
863.44403	5.1
864.44519	1.6
881.45410	26.8
882.45782	7.2
899.46454	21.9
900.46637	4.7
905.45648	1.6
923.46417	22.0
924.46832	7.3
941.47473	100.0
942.47766	25.9
942.67505	0.5
983.48785	7.6
984.49109	3.0
1079.38086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00745	0.7
80.73935	0.6
81.03320	2.0
83.01259	3.4
83.04885	1.8
85.02825	21.6
85.99956	2.1
87.00753	15.5
87.04380	1.5
89.02318	22.3
95.01254	2.5
95.31179	0.6
97.02834	6.2
99.00748	2.4
99.04379	1.6
101.02327	25.7
103.00302	0.7
103.03895	9.8
109.02830	3.5
111.04387	0.6
113.02336	12.1
115.03896	2.9
119.02605	0.8
119.03394	8.9
124.01534	2.8
125.02334	20.2
127.03909	8.1
131.03394	3.5
137.02263	0.6
143.03415	7.4
145.04999	4.2
161.04448	1.9
163.06021	16.0
164.06329	0.8
165.05484	0.7
167.03496	0.7
179.05528	0.7
182.52373	0.6
185.04495	0.9
205.07077	4.9
207.06644	0.7
233.06618	4.2
247.08131	2.7
289.09583	0.7
359.25903	1.2
389.90347	0.6
397.27673	0.9
462.08075	0.7
589.32446	0.6
717.38715	1.1
735.39612	4.2
736.39655	1.1
753.40710	20.5
754.41638	2.9
777.40662	2.5
795.41748	41.3
796.42181	9.0
863.44531	5.5
864.45050	1.5
881.45459	27.6
882.45575	6.2
899.46570	22.1
900.46484	4.4
923.46387	24.1
924.47137	5.1
941.47498	100.0
942.47937	25.0
983.48621	9.7
984.49500	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	1077.452
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00738	1.3
81.03336	2.9
83.01235	4.0
83.04884	1.5
85.02822	22.6
85.99947	1.6
87.00753	15.6
87.04388	1.6
89.02316	12.3
95.01246	1.9
96.16518	1.4
97.02834	5.5
99.00763	5.3
99.04400	2.0
101.02319	14.9
103.03889	5.4
109.02832	3.4
111.00751	2.7
112.01540	4.3
113.02339	20.8
115.00278	1.8
119.03383	3.9
125.02342	12.7
127.03900	13.1
131.03378	1.4
137.02232	1.7
139.03741	1.5
140.00784	1.4
141.01593	13.8
143.03397	4.1
145.04936	3.2
152.00830	1.3
155.03424	2.3
161.04509	1.3
163.06044	9.9
165.01689	1.6
166.99570	2.7
167.03262	2.7
168.00340	1.3
183.02637	1.8
185.04453	1.2
193.01187	1.3
194.44641	1.3
195.02657	1.8
205.07059	1.7
227.05334	17.3
233.06767	1.6
255.04768	1.3
283.70697	1.2
289.90286	1.0
329.08435	2.4
367.07553	1.1
394.74420	1.2
426.68768	1.1
499.36050	1.2
727.36951	1.3
737.41229	11.3
759.39349	14.3
760.39191	1.9
761.41406	5.7
779.42230	28.0
779.56738	1.5
780.42554	2.7
801.40735	6.1
803.37866	5.0
819.41290	2.2
821.43365	2.3
845.38873	1.4
847.45325	8.1
848.45068	1.3
861.41760	1.6
865.45801	9.7
887.43713	3.9
905.44995	19.6
906.45447	2.1
907.46973	69.0
908.47644	11.1
929.45251	20.0
930.45477	3.1
947.46185	100.0
948.46094	17.2
973.44464	1.2
989.47046	10.6
990.47668	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	1081.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	0.4
91.01780	0.2
98.20672	0.3
107.01273	1.5
108.02067	0.6
109.02834	0.6
117.45885	0.2
121.02830	0.9
135.00743	0.3
148.01558	0.5
149.02370	0.2
151.00278	6.0
152.00616	0.2
153.09068	0.3
163.00273	1.1
164.01047	0.3
169.01292	0.3
178.99783	3.1
183.04420	0.2
192.00600	0.2
193.97388	0.2
199.03897	0.4
205.12415	0.2
211.03932	0.6
215.03427	0.3
226.02631	0.8
227.03389	1.4
229.05049	0.4
232.10849	0.2
239.03458	0.3
243.02975	5.0
244.03395	0.4
245.04462	0.6
254.02312	1.1
255.02966	13.8
256.03409	0.9
271.02472	27.7
272.02914	2.5
273.03842	0.5
283.02451	0.6
299.01999	0.7
300.02744	56.9
301.03470	24.7
302.03867	1.5
343.04514	0.4
385.50983	0.2
458.57950	0.2
478.89032	0.2
609.14600	100.0
610.14905	10.9
735.41077	0.2
766.95636	0.2
1117.80420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
82.44575	0.2
83.01241	0.4
87.91673	0.2
98.20692	0.2
101.02315	0.2
102.65979	0.2
107.01280	0.5
108.02061	0.9
114.92241	0.2
121.02794	0.2
124.01505	0.3
135.00755	0.6
142.00206	0.2
148.01576	0.7
151.00272	3.1
158.94624	0.2
161.29538	0.2
163.00272	0.6
164.01102	0.6
167.83951	0.3
169.01382	0.4
175.00266	0.2
178.99763	2.4
199.03914	0.7
201.01900	0.2
211.03934	0.2
215.03503	0.4
216.04243	0.5
226.02638	1.2
227.03435	1.6
243.02940	8.1
244.03389	0.7
254.02277	1.4
255.02965	20.9
256.03342	1.3
271.02466	48.5
272.02908	4.2
273.03577	0.3
299.02023	2.0
300.02731	100.0
301.03226	9.5
302.03583	0.7
445.07590	0.3
565.29199	0.3
591.06909	0.2
609.14575	92.4
610.14893	11.5
611.15009	1.0
620.93341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.9
90.53249	0.4
107.01268	1.2
108.02052	1.2
109.02824	1.3
121.02814	0.9
135.04428	0.5
137.02306	0.4
141.63574	0.4
148.01601	0.7
151.00262	7.9
163.00284	2.0
167.03320	0.4
169.01341	1.0
178.99777	3.9
199.03937	0.8
201.05548	0.5
211.03938	0.5
226.02647	1.0
227.03497	2.2
243.00536	0.5
243.02966	6.7
244.03430	0.5
245.04459	0.8
254.02159	1.4
255.00276	0.9
255.02975	17.7
256.03375	1.1
271.02481	41.4
272.02927	3.5
273.03979	0.8
283.02606	1.0
285.04083	0.6
299.01938	1.0
300.02747	73.6
301.03467	28.4
302.03714	2.0
343.04730	0.5
349.21817	0.5
420.87405	0.4
473.10635	0.6
607.13098	0.7
609.14636	100.0
610.14960	12.2
611.14923	1.7
836.03070	0.4
934.34442	0.5
968.18262	0.6
1001.83643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01242	0.7
91.01765	0.3
107.01284	1.8
108.02042	1.1
109.02849	1.0
121.02798	1.7
125.02379	0.5
133.02859	0.4
137.02332	0.4
148.01564	0.7
151.00273	8.5
152.00571	0.4
153.01816	0.4
163.00281	2.0
164.01099	0.7
169.01360	0.9
175.13763	0.3
178.99770	5.2
183.04445	0.4
191.03610	0.3
191.27267	0.3
198.03221	0.3
199.03981	0.4
201.05348	0.4
211.03972	0.6
215.03435	0.4
226.02705	0.9
227.03423	1.9
228.03743	0.3
229.04982	0.5
243.02972	6.6
244.03445	0.7
245.04529	0.8
254.02106	1.4
255.02971	19.4
256.03375	2.3
271.02472	40.0
272.02893	6.0
273.03241	1.5
283.02481	1.1
299.01889	1.2
300.02737	92.3
301.03415	41.5
302.03650	6.1
303.04034	0.9
343.04468	0.7
609.14600	100.0
610.14899	20.8
611.15118	9.0
612.15131	0.5
651.15790	1.2
979.00787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00726	0.4
81.03339	2.1
83.01256	3.8
83.04905	0.8
85.02823	19.5
85.99958	0.9
87.00233	0.8
87.00750	14.7
87.04396	1.6
89.02318	17.7
95.01248	2.6
97.02820	6.4
98.20520	0.5
99.00753	1.9
99.04388	1.6
101.02323	22.7
101.05950	1.0
103.00220	0.7
103.03897	6.9
109.02820	2.5
111.00740	0.6
111.04350	0.8
113.02335	13.7
115.03892	1.9
119.03400	8.0
123.04408	0.8
124.01524	1.9
125.02336	19.6
127.03908	7.9
131.03406	3.5
137.02344	1.3
143.03409	7.7
145.04988	4.6
149.04538	0.7
151.03889	0.5
161.04446	1.9
163.06021	14.7
165.01836	0.6
167.03378	1.0
177.01871	0.7
179.05472	1.0
184.53224	0.5
185.04420	0.8
205.07091	4.4
229.07135	0.6
233.06601	3.1
247.08223	2.3
327.21817	1.1
335.77191	0.5
341.23004	0.6
383.58478	0.5
546.43536	0.6
555.32837	0.8
603.35406	1.6
621.36578	0.8
731.40924	0.9
749.41266	5.4
767.42206	25.2
768.43042	2.9
791.41718	2.4
809.43243	40.5
810.43079	5.4
851.43518	0.7
877.45996	4.4
894.82593	0.5
895.47009	30.2
896.47217	5.9
913.47986	28.0
913.66382	1.0
914.48822	3.8
919.46387	1.5
937.48053	22.0
938.47900	4.5
955.49060	100.0
956.49213	15.4
997.50293	6.2
998.49554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01247	0.6
93.03316	0.2
98.20560	0.5
107.01272	1.9
108.02074	1.0
109.02826	1.0
119.01251	0.3
121.02861	1.4
124.01547	0.3
125.02287	0.2
135.00758	0.5
148.01566	0.7
149.02274	0.3
151.00272	8.2
159.04401	0.2
163.00262	1.9
164.00984	0.5
169.01366	0.3
178.99780	4.8
183.04335	0.4
184.83221	0.2
187.03830	0.3
192.00552	0.3
198.02966	0.2
199.03905	0.6
201.01854	0.3
201.05399	0.3
203.03488	0.4
211.03957	0.6
215.03423	0.6
216.04179	0.4
226.02690	1.2
227.03406	2.2
229.01418	0.2
229.04939	0.5
239.03395	0.3
242.02222	0.3
243.02960	8.1
244.03378	0.7
245.04462	0.9
249.29849	0.2
254.02209	1.8
255.02966	19.6
256.03302	1.2
257.04480	0.2
266.02133	0.3
270.01486	0.2
271.02466	42.6
272.02948	3.5
273.04071	0.8
283.02499	1.1
285.03937	0.4
297.00229	0.2
299.02011	2.3
300.02734	79.8
301.03479	37.0
302.03958	1.5
314.04324	1.6
315.05139	0.3
343.04568	0.3
345.05038	0.2
370.67780	0.2
430.81567	0.2
463.08810	100.0
464.09100	6.5
518.26996	0.2
623.16040	2.7
630.16437	0.2
875.57184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03339	1.3
83.01255	3.7
83.04890	0.4
85.02823	20.1
85.99962	0.9
86.00467	0.2
86.03123	0.4
87.00747	9.5
87.04383	1.6
89.02316	14.5
93.03242	0.2
95.01268	2.9
96.98121	0.3
97.02823	3.2
99.00267	0.2
99.00766	2.2
99.04371	1.0
101.02321	22.7
103.03886	3.4
108.02030	0.3
109.02827	1.4
111.00738	0.6
111.04394	0.4
112.01549	0.5
113.02329	14.8
114.02675	0.3
114.92921	0.2
115.03902	1.8
115.39449	0.2
119.02587	0.4
119.03390	5.3
123.04436	0.5
125.02341	4.7
127.03900	5.3
131.03409	4.0
132.41934	0.2
137.02310	0.7
143.03398	6.8
145.04964	1.4
155.03378	0.3
155.10698	0.2
159.02846	0.3
161.04443	1.5
163.06027	4.2
179.05479	0.8
187.02377	1.0
205.07091	3.6
223.93703	0.2
233.06631	1.4
247.08194	1.2
285.04196	0.3
289.09430	1.4
323.10342	0.3
356.14737	0.2
371.67319	0.2
556.48145	0.2
669.08234	0.3
753.27765	0.2
753.40546	4.8
754.40717	0.4
777.65277	0.2
863.45178	0.4
881.45490	13.4
882.46082	2.1
897.44366	0.3
899.46460	53.5
900.46729	7.2
923.46918	0.5
941.47546	3.3
942.47797	0.7
957.47034	1.0
1009.50031	0.5
1027.51172	34.4
1028.51477	5.6
1028.73242	0.3
1045.52222	100.0
1046.52466	15.8
1087.53247	29.8
1088.53650	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	1089.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03325	2.4
83.01257	6.5
83.04911	0.8
84.02038	0.5
85.02824	30.8
85.99970	2.0
86.03168	0.5
87.00749	15.2
87.04381	2.3
89.02317	22.3
93.03337	0.4
95.01266	5.8
97.02829	5.3
99.00755	4.0
99.04393	1.3
101.02324	42.4
102.02668	0.4
103.03890	3.7
108.02073	0.3
109.02841	2.1
109.07861	0.2
111.00766	2.3
111.04362	0.2
112.01560	1.4
113.02332	25.4
114.02682	0.5
115.03898	3.6
119.03390	8.9
124.01555	0.7
125.02345	5.5
127.03903	4.7
129.01828	0.6
131.02461	0.5
131.03397	5.8
131.04385	0.3
137.02379	0.5
139.00325	0.3
139.03860	0.2
141.01843	0.3
143.03400	9.9
145.04990	1.8
149.04449	0.5
155.03348	0.3
159.02911	1.4
161.04482	1.9
163.06024	3.5
165.05508	0.2
167.03313	0.3
167.44106	0.2
171.41907	0.2
179.05560	0.8
205.07100	3.9
211.27655	0.2
225.83051	0.2
233.06714	1.0
235.69788	0.2
247.08278	1.2
259.87195	0.2
289.09183	1.1
393.14200	0.2
413.30682	0.9
431.31671	3.0
432.31946	0.5
575.36102	1.5
593.36835	1.7
594.36572	0.3
666.03064	0.3
689.39136	0.5
721.42767	0.3
737.41260	1.7
738.42542	0.3
739.42279	0.4
755.42078	5.0
756.42108	0.8
865.45105	1.2
866.47650	0.3
867.46826	0.5
883.46985	18.2
884.47369	3.0
885.48529	1.0
901.48022	31.6
902.48401	5.5
925.48059	0.4
943.49072	4.5
944.49707	0.7
981.50696	0.6
993.51074	0.8
999.51099	0.4
1029.52734	100.0
1030.52979	19.8
1043.35339	0.3
1047.53833	93.9
1048.54077	17.8
1089.54846	71.3
1090.55090	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	109.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	1.2
58.02846	2.6
64.01787	0.7
65.01314	1.2
65.03841	0.7
65.09278	0.3
65.99713	0.6
66.03352	1.5
67.02885	23.3
68.01283	2.3
68.02429	0.5
68.03199	0.9
71.39070	0.7
79.02906	0.9
81.03329	3.0
82.02853	5.9
91.01771	2.8
108.02052	15.2
109.02838	100.0
109.03893	6.2
110.02380	0.9
110.03130	5.8
110.04279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	7.3
87.74434	0.2
93.03342	0.3
125.02305	0.4
127.07535	0.2
133.02835	0.5
135.04411	0.3
137.02376	0.3
147.24269	0.2
152.99507	1.9
155.18448	0.2
168.04211	1.4
173.04489	0.6
177.01869	0.2
180.50319	0.2
188.26753	0.2
191.05595	0.5
224.06955	1.1
233.22635	0.4
242.07953	3.3
259.20636	0.4
275.20200	0.6
277.21713	100.0
278.22046	6.4
289.07162	0.2
502.29395	98.6
503.29733	8.9
517.25854	0.7
548.23120	0.2
550.15741	0.2
576.33075	4.0
577.33240	0.5
767.47668	0.2
1093.53821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	5.3
78.98454	0.4
79.95602	1.0
80.96396	5.1
82.95997	0.2
85.02813	0.4
94.97967	1.6
96.95898	0.2
97.02819	0.2
98.85707	0.1
101.02309	0.2
106.97956	0.3
122.97450	0.5
125.02357	0.5
128.31517	0.1
134.97472	0.4
137.02341	0.2
148.99025	0.5
152.98479	0.5
152.99501	1.2
155.97453	0.1
161.02396	0.1
164.98512	1.1
168.04243	1.3
182.99750	0.1
206.99600	0.3
224.06921	1.1
225.00714	2.1
226.01070	0.3
227.00273	0.1
242.07968	2.4
261.22253	0.4
277.21683	0.3
279.23285	100.0
280.23630	6.7
280.26746	0.2
299.04361	0.4
300.04761	0.2
448.16293	0.2
503.39758	0.1
504.30966	75.7
505.31305	6.7
505.38980	0.2
517.56836	0.1
519.27209	0.6
577.26886	7.5
578.27130	7.7
578.34888	2.3
579.26984	0.7
579.34589	0.2
746.17950	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	1099.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
83.70496	0.7
107.01264	1.9
108.02023	0.9
109.02808	1.3
121.02891	1.1
151.00279	8.3
160.03690	0.8
163.00288	1.2
174.43834	0.7
178.99789	4.2
227.03372	2.0
243.02991	5.4
244.03458	0.9
245.04640	0.9
254.02257	1.6
255.02968	18.2
256.03302	1.4
271.02475	41.1
272.02866	4.1
296.80276	0.8
300.02759	68.4
301.03461	27.8
302.03775	2.7
316.02213	2.4
385.18741	1.1
386.57407	0.7
445.21109	0.8
503.13965	0.8
544.17468	0.7
559.59479	0.7
609.14606	100.0
610.14948	14.0
611.15387	2.4
622.09119	0.8
625.13843	3.1
627.14990	0.9
651.15552	2.1
802.64032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	1.1
81.41588	0.2
83.00810	0.3
83.01260	3.9
83.04885	0.7
84.02021	0.3
85.02821	18.9
85.99982	1.2
86.03133	0.3
87.00751	8.7
87.04395	1.5
89.02317	14.6
93.03327	0.2
95.01265	3.0
97.02241	0.3
97.02827	3.6
99.00761	2.6
99.04381	0.7
101.02322	24.0
102.02639	0.3
103.03896	3.4
109.02837	1.0
111.00742	0.5
112.01527	0.4
113.02330	16.0
115.03900	2.2
119.02582	0.3
119.03390	5.9
119.04234	0.3
125.02325	3.5
127.03898	4.9
129.01805	0.4
131.03384	3.3
137.02351	0.4
141.01830	0.3
143.03397	7.6
145.04973	1.8
149.04379	0.5
159.02849	0.6
161.04469	3.6
163.06024	5.9
164.06328	0.2
179.03311	0.3
179.05518	1.5
189.03949	0.2
205.05243	0.3
205.07104	3.6
228.69237	0.2
233.06570	1.1
247.08167	2.0
266.03180	0.2
268.42621	0.2
271.02475	0.3
289.09387	1.0
300.02563	0.4
307.10461	0.3
315.04889	0.2
318.70224	0.2
607.34882	0.5
735.39423	0.7
751.38965	0.3
753.40314	2.2
754.41010	0.4
769.40070	2.1
770.39691	0.4
879.44519	0.3
881.45190	1.7
882.45374	0.3
897.44861	10.8
898.45886	1.2
899.46136	0.7
915.45966	51.9
916.46332	8.2
923.47937	0.3
957.47125	2.6
958.47540	0.4
1025.50537	0.4
1043.50659	25.7
1044.51050	5.0
1061.51697	100.0
1062.52039	20.4
1085.52649	0.3
1103.52771	24.3
1104.53113	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	1103.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03162	0.8
83.01056	3.4
83.01614	1.3
83.04733	0.6
85.03194	5.0
85.99803	0.7
86.00302	0.6
87.00542	7.0
87.01144	2.3
87.04214	0.8
87.04672	0.4
89.02105	10.7
89.02722	3.6
95.01039	2.8
95.01718	0.9
97.02599	3.8
97.03294	1.1
99.00514	2.1
99.01214	0.6
99.04224	0.7
101.02086	23.4
101.03233	0.9
102.02472	0.5
103.03645	3.7
103.04416	1.1
109.02699	0.4
111.00592	0.4
113.02065	12.6
113.02950	2.8
113.03423	0.5
115.03622	1.6
118.61520	0.3
119.03123	5.6
119.04063	1.2
123.00565	0.4
124.01267	2.5
125.02055	11.6
125.03078	2.4
126.02521	0.3
127.03624	1.5
131.03110	3.2
131.04167	0.6
137.02115	0.5
143.03096	5.9
143.04295	0.8
145.04636	1.8
159.02554	1.2
159.03734	0.3
161.04123	5.5
161.05602	0.9
163.05687	7.6
163.07169	0.9
179.03200	0.4
179.05170	1.3
205.06737	4.6
229.42033	0.5
233.06189	2.4
247.07777	2.2
279.45761	0.3
289.08984	0.7
300.02451	0.5
307.09903	0.6
315.04874	0.3
331.10007	0.5
342.37238	0.4
537.66418	0.3
576.17749	0.4
583.09845	0.4
607.34875	3.2
715.37207	1.8
733.37177	0.5
735.39172	1.3
740.26007	0.6
740.74274	0.4
751.38806	1.2
753.40387	0.9
769.39728	0.8
795.41260	0.6
811.41180	1.0
879.44684	1.5
881.45068	1.4
897.45032	10.6
898.45215	1.2
915.46045	16.7
916.45667	2.5
939.46069	1.6
941.47339	0.6
957.46954	20.4
958.46869	3.0
1043.50671	45.7
1044.50818	7.3
1061.51746	53.0
1062.51929	9.2
1103.52808	100.0
1104.53088	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95364	0.6
51.46463	0.6
55.01759	31.0
56.02091	1.6
66.47673	0.6
67.01759	8.8
68.01270	1.2
68.99701	1.0
71.01260	7.6
71.50252	0.7
78.95778	10.8
79.95595	1.1
81.03307	1.1
83.01257	100.0
83.04903	1.3
84.01598	4.2
93.03342	0.8
99.00834	0.6
103.76009	0.6
110.89775	0.9
110.97455	4.2
111.00764	37.7
111.01918	1.4
111.04394	3.0
112.01024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
80.99702	0.2
83.01248	0.6
88.01683	0.1
91.01733	0.2
93.03326	0.3
93.84984	0.1
95.01274	0.5
96.99226	0.2
97.76709	0.1
99.00768	0.2
107.01273	1.8
108.02038	0.7
108.99197	0.2
109.02840	1.2
109.99979	5.1
111.00089	0.2
111.00783	2.4
119.01332	0.2
119.50069	0.2
121.02859	1.1
123.00769	1.2
124.01529	0.6
124.98748	0.2
125.02345	0.8
125.99545	0.2
133.02826	0.2
135.00777	0.7
136.01578	0.3
136.98709	1.0
137.02321	0.5
137.99498	2.3
139.00272	6.9
139.01364	0.3
139.03900	0.4
141.98970	0.5
143.04916	0.2
145.02859	0.3
146.03610	0.2
148.01538	0.9
149.02405	0.7
149.99539	0.2
151.00281	7.9
152.01059	1.1
155.04893	0.3
155.09187	0.1
155.10667	1.1
159.04405	0.6
161.02333	0.4
163.00279	1.9
163.03922	0.2
164.01067	1.2
164.98199	0.5
165.01869	0.4
165.98990	8.1
166.99786	3.1
168.00429	0.2
169.01329	0.6
169.02615	0.2
170.03638	0.3
171.04425	0.8
172.05037	0.1
173.02332	0.3
174.03111	0.5
175.00311	0.2
175.03889	0.6
176.01073	0.2
177.01840	0.2
177.98969	0.2
178.99774	6.9
180.00284	0.4
183.04428	0.7
185.02309	0.3
186.03186	0.3
187.03880	0.8
189.01810	0.4
189.05469	0.2
190.02533	0.3
190.99849	0.3
191.03375	0.3
192.00520	0.4
193.01329	0.3
193.98488	0.5
194.99280	0.8
198.03163	0.9
199.03915	1.6
199.09671	0.6
200.04636	0.2
201.01871	1.6
202.02562	0.6
203.03485	1.3
206.99252	0.6
207.37996	0.2
208.00128	0.2
211.03909	0.8
213.01820	0.4
214.02602	0.8
215.03494	1.0
216.04251	0.9
217.01315	0.4
219.02835	0.3
225.01933	0.2
226.02635	1.4
227.03464	3.2
228.03978	0.3
229.01361	0.7
229.04991	0.4
230.02182	0.4
231.02901	1.2
232.03693	0.3
239.03413	0.3
241.01399	0.3
242.02136	2.4
243.02953	8.3
244.03598	1.0
245.04568	1.1
254.02219	0.8
255.02971	14.5
256.03482	0.7
258.01834	0.3
259.02451	2.3
260.03061	0.4
261.03964	0.2
269.01025	0.3
270.01694	3.6
271.02472	47.7
272.02969	3.5
273.04077	1.1
283.02438	0.5
283.11011	0.4
283.98404	0.2
284.02960	0.2
287.01978	14.2
288.02609	2.3
289.02979	0.2
297.00323	0.2
298.01184	0.6
299.01968	14.3
300.02731	44.5
301.03482	17.0
302.03693	1.1
309.08789	0.3
315.01431	2.3
316.02222	46.5
317.02951	20.5
318.03424	1.0
327.09897	0.2
353.36523	0.2
403.11505	0.4
463.09024	1.3
474.28226	0.2
479.08401	2.1
503.08292	0.5
505.09882	67.9
506.10202	5.6
506.17667	0.2
507.10400	0.7
519.07831	0.9
520.08301	1.9
521.09344	100.0
522.09698	7.4
522.16418	0.1
523.10065	0.2
565.08264	0.4
565.16852	1.3
565.28937	0.4
611.01215	0.2
810.10626	0.2
871.46008	0.2
1142.97388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03315	1.6
83.01264	4.6
85.02825	25.0
85.99962	1.3
87.00754	11.9
87.04364	1.4
89.02319	20.4
89.18092	0.9
95.01247	2.8
97.02827	3.3
98.19917	1.5
99.00751	2.9
99.04398	1.3
101.02331	26.2
103.03898	3.8
109.02807	1.4
111.00748	1.1
113.02330	18.5
115.03921	2.0
119.03387	7.9
120.51867	0.8
125.02357	4.2
127.03920	5.2
131.03378	5.5
139.00134	0.9
139.78076	0.8
143.03401	7.1
145.04982	1.4
151.03908	1.4
161.04498	1.4
163.06035	3.8
179.05595	1.1
205.07103	3.0
225.05659	1.1
233.06494	1.6
247.08253	1.9
289.09265	1.2
402.95663	0.8
481.28500	0.9
737.41467	2.8
865.45898	11.0
866.45764	1.5
883.46967	45.2
884.47357	9.0
925.47852	3.2
1011.20221	1.0
1011.30096	1.5
1011.51758	55.3
1012.52411	11.6
1029.52771	100.0
1030.53296	24.8
1071.53723	51.6
1072.54358	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	1123.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
78.18485	0.6
78.95779	56.7
88.35211	0.6
88.99445	0.6
89.53099	0.5
96.96830	4.9
152.99495	67.3
156.37230	0.6
171.00548	17.8
190.58444	0.6
208.63187	0.6
227.03279	4.6
245.04289	78.3
246.04716	1.6
253.21721	40.7
254.22025	1.9
281.24921	2.3
282.25192	1.4
478.29459	1.9
479.29626	1.3
480.29898	0.8
481.25723	100.0
482.26044	7.4
488.91351	0.7
608.38586	0.7
795.22443	1.7
1111.17358	0.7
1123.49243	20.1
1124.48743	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	1127.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.2
91.01804	0.1
101.03832	0.2
107.01266	0.7
108.02030	0.7
119.01313	0.1
120.02085	0.1
123.00781	0.1
124.01575	0.2
125.02369	0.1
135.00740	0.4
136.01492	0.1
139.05418	0.1
141.03419	0.1
143.04921	0.2
145.02873	0.4
147.00792	0.2
148.01547	0.7
149.99545	0.1
151.00276	2.8
152.00987	0.2
155.04910	0.3
157.02841	0.2
159.04424	0.2
163.00259	0.6
164.01044	0.3
167.04884	0.2
169.01474	0.1
169.02859	0.2
171.04427	0.3
174.03215	0.1
175.03978	0.1
178.99763	0.2
182.03598	0.1
183.04430	0.9
185.02333	0.3
187.03955	0.5
189.01923	0.1
189.41420	0.1
190.99838	0.1
192.00613	0.2
194.12442	0.1
198.03062	0.1
199.03934	2.8
200.04427	0.2
201.01874	0.2
202.02715	0.1
203.03453	0.4
204.04085	0.1
209.00797	0.1
211.03917	0.6
213.01869	0.2
214.02725	0.1
215.03407	0.9
216.04185	0.3
219.06429	0.1
226.02661	0.8
227.03445	3.7
228.04066	0.2
229.01277	0.1
231.02988	0.1
239.03448	0.1
242.02173	0.4
243.02954	12.5
244.03598	1.1
245.04236	0.1
253.01326	0.1
254.02199	1.4
255.02963	20.0
256.03397	1.3
257.04608	0.2
259.06119	0.3
269.04596	0.1
270.01703	0.2
271.02466	42.7
272.03040	3.5
273.03439	0.1
282.01669	0.1
283.02356	0.1
285.03955	0.3
286.04749	0.1
287.05582	0.7
289.73883	0.1
299.01962	28.2
300.02722	73.7
301.03094	3.6
313.03430	0.2
314.04315	21.1
315.05081	100.0
316.05414	5.1
325.03458	0.1
357.06018	0.1
389.42285	0.1
459.09256	0.5
477.10272	0.5
487.08743	0.2
488.09174	0.1
519.11407	51.3
520.11755	4.4
1156.16138	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	1131.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01241	3.2
90.51843	0.7
93.03307	1.5
95.01218	1.5
96.99177	2.1
107.01271	9.8
108.02113	0.9
108.99265	0.8
109.02840	5.6
109.99969	5.6
111.00769	4.8
111.96294	0.7
114.34279	0.8
117.03350	1.0
118.00541	0.8
121.02839	3.0
123.00788	4.2
124.01559	1.0
124.72462	0.7
124.98689	2.7
125.02335	3.2
133.02806	2.2
135.00781	2.8
135.04428	1.0
136.98691	1.6
137.02333	2.1
137.99484	2.5
139.00270	10.4
139.03862	1.1
141.01851	1.3
141.03293	0.7
141.75607	1.0
143.04918	1.8
145.02831	1.0
147.04437	1.8
148.01550	3.4
149.02269	4.0
149.99483	0.8
151.00282	35.6
151.01506	1.8
152.01003	2.5
153.01884	1.8
153.98975	3.2
154.99762	8.6
155.10683	4.9
156.10938	1.1
157.02853	1.1
158.03668	0.9
159.04391	3.9
161.02357	2.5
162.02823	0.9
163.00313	5.0
163.03828	0.8
164.01071	2.0
164.98196	2.0
165.01793	1.1
165.99033	7.5
166.99779	4.8
169.01306	4.1
169.02707	1.4
171.04413	2.1
173.02335	1.5
175.00235	1.1
175.03989	2.4
177.01820	2.9
177.99052	1.1
178.99786	33.0
180.00296	1.8
181.01349	1.2
181.98413	4.1
183.04437	1.5
185.02415	1.3
186.03053	1.0
187.03848	7.2
188.04628	0.9
189.01801	3.2
189.05440	1.0
190.99757	1.2
191.03505	2.0
192.00505	1.3
193.01367	2.8
193.98506	0.7
194.99292	3.3
197.02492	0.9
198.03174	2.0
199.03876	4.7
199.09717	2.4
201.01881	4.0
202.02583	1.1
203.03438	10.1
205.01494	1.1
206.99269	1.6
207.02936	0.9
211.03947	1.6
213.01855	2.0
214.02756	2.1
215.03441	7.5
216.04152	1.3
217.01398	3.1
217.04942	1.3
219.03011	2.5
226.02628	2.0
227.03467	7.3
229.01346	2.0
229.05080	1.3
231.02968	8.8
232.03699	1.7
233.04414	1.6
241.01321	1.2
242.02228	2.6
243.02945	18.4
244.03380	2.4
245.00908	1.1
245.04503	2.6
247.02373	2.4
254.02162	2.4
255.02979	27.9
256.03308	1.5
257.00931	1.7
258.01752	2.3
259.02451	6.1
270.01700	3.5
271.02472	73.2
272.02966	8.4
273.04001	3.0
281.92126	0.9
283.02524	2.1
286.01196	3.3
287.01990	39.0
288.02585	5.6
289.03586	2.5
297.00446	2.7
299.01926	15.3
299.05313	0.9
300.02747	96.7
301.03470	41.8
302.03781	3.7
303.01401	5.1
304.02020	1.3
313.00159	1.0
314.00555	1.5
315.01468	75.8
316.02203	39.1
317.02930	18.6
318.03152	1.8
331.00882	1.2
331.97769	1.3
332.01733	25.1
333.02435	8.7
334.02606	1.0
395.06235	1.2
463.08987	2.4
493.09698	2.0
495.07809	1.9
503.08408	3.0
505.09900	100.0
506.10303	11.1
507.10541	3.2
519.07880	5.3
520.08838	1.3
521.09369	49.5
522.09497	4.3
536.08228	1.1
537.08838	68.6
538.09045	5.7
538.63623	0.8
679.08459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03320	1.5
83.01269	4.8
83.04864	0.6
85.02824	21.4
85.99973	1.7
87.00753	12.8
87.04384	1.5
89.02318	19.4
89.02743	0.3
95.01260	3.5
97.02827	6.9
98.20576	0.7
99.00773	3.0
99.04419	1.3
101.02322	35.8
102.02638	0.5
103.03898	7.0
109.02827	1.3
111.00751	1.0
112.01550	0.4
113.02332	18.4
115.03893	1.3
119.03391	9.3
121.02782	0.6
123.00800	0.5
124.01559	3.2
125.02340	21.2
127.03918	3.4
131.03412	4.4
132.79378	0.5
135.04431	0.4
137.02338	0.9
143.03406	8.4
145.04927	3.1
159.02855	0.9
161.04460	3.2
163.06029	12.2
169.92787	0.4
179.05516	1.1
179.06946	0.4
182.52293	0.4
187.02406	1.4
191.05508	0.5
195.06731	0.4
197.11880	0.5
205.07077	4.9
205.08870	0.6
233.06668	2.5
247.08197	3.2
277.54501	0.5
287.49475	0.4
289.09406	0.9
331.10495	0.6
591.35388	3.4
699.36835	1.8
717.38098	0.8
735.39545	2.2
739.42944	1.1
753.40338	1.4
795.42175	1.2
863.44202	1.1
881.28186	0.7
881.45349	14.4
882.45319	2.2
883.47144	0.6
885.48499	2.1
886.51147	0.5
898.45728	0.7
899.46423	30.5
900.46826	6.0
923.46979	1.1
927.49847	1.4
941.47510	23.5
942.48187	3.9
1004.98285	0.5
1009.50653	0.6
1011.50800	0.5
1027.51184	49.5
1028.51660	10.5
1029.53125	1.3
1044.50500	0.8
1045.52197	78.3
1046.52405	14.8
1071.53516	1.0
1087.53223	100.0
1088.53699	24.3
1089.54382	1.3
1131.51624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03400	0.8
83.01251	3.7
84.80725	0.2
85.02354	0.7
85.02823	16.4
85.14520	0.2
85.99960	1.3
86.03210	0.2
87.00748	9.2
87.04401	1.6
89.02316	13.5
91.27434	0.2
95.01276	2.5
96.95895	0.3
97.02826	4.7
99.00751	2.5
99.04451	0.3
101.01701	0.7
101.02322	21.9
102.02737	0.8
103.03893	3.6
109.02856	0.4
111.00822	0.5
112.01606	0.4
113.02328	11.3
114.02721	0.3
115.03887	1.6
119.03383	4.8
123.00816	0.3
124.01560	2.0
125.02332	13.9
126.02703	0.4
127.03905	1.4
131.03409	3.2
143.03394	5.2
145.04967	1.6
145.45795	0.3
159.03027	0.4
161.04474	1.7
163.06029	5.1
169.23541	0.3
187.02454	0.6
205.07098	3.6
205.08746	0.2
220.21912	0.3
233.06628	1.3
247.08260	1.2
289.09457	0.5
293.05630	0.2
307.10394	0.4
320.74167	0.3
331.10245	0.5
358.38925	0.3
591.34912	1.8
622.54523	0.3
635.34241	0.8
661.35217	0.3
699.37836	0.9
700.40356	0.3
735.40039	1.1
753.40436	1.7
795.41962	0.6
863.44550	1.3
881.45367	12.6
882.45892	2.4
899.46429	19.5
900.46716	3.9
923.45215	1.2
941.47430	14.2
942.47748	3.4
1027.51196	41.4
1028.51501	10.1
1045.52222	47.6
1046.52588	11.0
1087.53247	100.0
1088.53540	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	1131.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03328	1.9
83.01249	3.4
83.04855	0.4
84.02027	0.3
85.02823	19.2
85.99933	1.1
87.00751	9.7
87.04397	1.8
89.02316	17.2
95.01270	2.5
97.02821	3.1
99.00756	2.2
99.04343	1.0
101.02323	22.0
103.03887	3.3
109.02845	1.4
111.00749	0.6
113.02334	14.8
115.03880	1.7
119.02611	0.4
119.03392	7.9
125.02312	3.4
127.03095	0.4
127.03901	4.9
131.02493	0.3
131.03391	4.2
137.02312	0.5
143.03401	6.5
145.04980	1.9
159.02840	0.5
161.04556	1.5
161.05608	0.3
163.06029	6.6
179.05560	1.4
205.07108	3.0
233.06535	0.9
247.08252	1.9
289.09189	0.6
704.52148	0.3
753.40649	1.5
881.45349	7.6
882.45154	0.9
899.46460	51.0
900.46820	7.5
941.47125	1.9
1009.49817	0.5
1027.51160	20.2
1028.51660	3.9
1029.52136	0.8
1045.52246	100.0
1046.52515	18.8
1071.53882	0.6
1087.53210	19.7
1088.53381	4.0
1131.57092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03336	1.6
83.01252	4.5
83.04870	0.4
84.02019	0.7
85.02823	19.5
85.18935	0.3
85.99923	1.0
87.00749	9.9
87.04390	1.5
89.02316	18.0
95.01274	2.6
97.02833	4.1
98.19760	0.3
99.00748	2.4
99.04398	1.6
101.02324	26.4
102.02626	0.5
103.03899	4.8
108.02028	0.4
109.02843	1.7
111.00703	0.9
112.01488	0.3
113.02332	17.6
114.02623	0.4
115.03919	2.5
117.48684	0.4
119.02604	0.5
119.03387	7.7
119.04784	0.3
119.80524	0.3
121.06194	0.3
124.53825	0.3
125.02344	5.3
127.03905	4.8
131.03413	4.1
135.11694	0.3
137.02303	0.4
143.02386	0.5
143.03398	7.5
145.04976	1.7
155.03397	0.4
159.02831	0.5
161.04373	1.3
161.84511	0.3
163.04889	0.4
163.06035	4.6
179.05484	0.7
187.02402	1.9
196.73428	0.3
205.07086	3.4
216.73096	0.3
233.06522	1.2
247.08229	1.5
289.09149	0.8
687.38562	0.4
753.40448	3.6
754.40723	0.7
881.45386	11.1
882.45551	2.6
899.46436	50.4
900.46802	13.2
918.58826	0.4
923.47900	0.5
941.47729	2.9
942.47900	1.0
1009.49963	0.7
1027.51233	34.9
1028.51514	11.5
1045.52222	100.0
1046.52478	29.8
1087.53247	39.5
1088.53650	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	1133.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
78.74847	0.6
81.03329	1.2
83.01259	4.4
85.02821	20.0
85.99987	1.4
87.00759	9.5
87.04385	1.7
89.01763	0.9
89.02318	18.5
95.01264	4.2
97.02841	4.0
99.00780	2.1
99.04427	1.0
101.02324	29.1
102.02683	0.8
103.03883	4.1
109.02850	1.4
111.00763	1.3
112.01559	1.3
113.02335	18.7
115.03912	3.2
119.03392	6.7
124.01534	0.6
125.02347	3.8
127.03896	4.1
127.46589	0.6
131.03395	4.3
143.03418	7.0
145.04938	1.1
159.02945	1.0
161.04477	2.3
163.06085	2.5
177.01869	0.5
179.05446	0.8
205.07079	3.0
233.06647	1.0
247.08180	0.6
276.25867	0.4
289.09372	1.0
431.31613	2.4
575.36090	1.3
593.36786	1.9
594.38098	0.7
617.62683	0.6
661.49835	0.7
737.40887	1.1
755.42444	3.8
865.46381	0.7
883.47095	12.6
884.47638	2.0
885.48615	1.2
901.48151	23.1
901.66168	1.1
902.48694	4.6
943.48206	3.8
993.51630	0.9
1029.52795	93.5
1030.53040	21.1
1047.53833	87.1
1048.54297	20.1
1089.54858	100.0
1090.55249	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01261	2.0
84.33394	0.3
89.07796	0.3
95.01257	1.2
107.01275	4.7
108.02065	2.2
109.99985	6.4
111.00782	2.7
113.02327	0.4
121.02853	0.7
123.00784	1.4
124.01545	1.0
125.02347	2.5
125.99484	0.6
129.15872	0.4
135.00755	1.0
136.01570	2.6
136.98680	1.6
137.02365	0.5
137.99486	4.0
139.00284	8.6
139.03900	0.8
140.00639	0.3
141.98987	0.5
143.04912	0.6
145.02859	0.5
148.01563	1.0
149.02374	1.9
149.99492	0.6
151.00278	19.4
151.03889	4.4
152.01019	1.8
159.04440	0.8
161.02336	0.7
163.00288	2.9
164.01073	4.7
164.98195	2.0
165.98994	14.1
166.99794	3.1
167.03503	0.4
169.01399	2.8
171.04419	1.3
174.03093	1.0
175.00281	1.6
175.03911	0.7
175.96100	0.4
176.01083	0.7
177.01836	0.6
177.98984	0.9
178.99782	26.8
180.00255	0.9
185.02394	0.7
187.03912	1.7
188.04764	0.4
189.01820	1.0
190.99687	0.5
192.00546	0.7
193.01286	0.6
193.98534	1.3
194.70465	0.4
198.03230	0.8
199.03923	2.8
200.04601	0.5
201.01862	0.8
202.02718	0.7
203.03426	2.0
206.99258	0.7
213.01843	1.3
214.02690	1.6
215.03471	4.9
216.04105	1.0
217.01294	1.3
217.04880	0.5
219.02893	0.5
226.02669	1.4
227.03474	3.4
228.03966	0.5
229.01385	1.0
230.02211	0.9
231.02968	3.4
232.03598	0.7
241.01382	2.4
242.02069	1.8
243.02957	11.2
244.03520	2.1
245.00879	0.7
254.02309	1.8
255.02971	15.9
256.03369	2.0
257.00793	0.6
258.01785	2.4
259.02469	7.3
259.05548	0.5
259.06271	0.5
260.02917	0.7
269.00827	1.0
270.01639	3.5
271.02484	43.4
272.02982	5.2
273.03381	1.0
282.01608	0.4
283.02493	0.6
284.03250	0.6
285.00870	0.4
285.03998	1.0
286.01141	2.5
287.01984	50.4
288.02457	3.5
297.00543	0.8
298.01160	2.8
299.01953	6.1
300.02750	78.0
301.03207	9.2
302.03613	1.6
303.04706	0.4
305.06879	0.4
311.01926	0.7
313.03552	1.3
314.00864	0.5
314.04211	2.1
315.01462	22.1
315.05112	74.1
316.02228	72.8
316.05444	6.5
317.02512	4.4
317.05814	0.8
329.02975	3.5
330.03784	15.5
331.04584	89.9
332.04965	5.6
341.02600	0.4
355.04126	0.4
417.86649	0.4
493.09995	1.9
503.08075	0.7
519.11505	6.6
520.11792	0.7
533.09607	1.1
534.10010	3.8
535.10938	100.0
536.11243	8.9
579.10217	0.6
581.34631	0.5
752.12970	0.4
897.77313	0.4
1032.27100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
82.35881	0.2
83.01277	0.5
93.03337	0.4
107.01265	1.7
108.01465	0.2
108.02059	1.1
109.02841	0.9
119.04944	0.4
121.02865	1.2
122.98989	0.2
124.01557	0.2
125.02373	0.4
132.50934	0.2
133.02760	0.2
135.00795	0.8
148.01567	1.0
149.02354	0.3
151.00270	6.3
152.00977	0.2
159.04382	0.2
161.02362	0.3
163.00282	1.5
164.01062	0.4
165.01888	0.3
167.04926	0.3
169.01398	0.3
171.04396	0.3
178.99767	2.3
183.04483	0.3
185.02400	0.2
187.03946	0.4
193.01331	0.5
198.03128	0.3
199.03934	0.8
201.01874	0.3
203.03514	0.3
205.89612	0.2
207.25578	0.2
211.03947	0.8
213.01744	0.2
215.03444	0.7
216.04181	0.2
226.02756	1.2
227.03450	5.8
228.03879	0.6
229.05095	0.4
239.03438	0.2
243.02956	9.2
244.03529	0.7
245.04526	0.7
254.02231	1.7
254.84756	0.2
255.02969	29.9
256.03387	1.9
257.04440	0.3
271.02475	50.9
272.02948	4.0
273.04129	0.8
283.02475	0.8
284.00049	0.3
284.03262	8.5
285.03949	2.7
299.01968	1.9
300.02740	86.0
301.03427	21.7
302.03885	0.7
313.07254	1.4
332.28699	0.2
343.04526	0.4
343.08517	0.4
445.07758	3.3
446.08292	0.5
463.09131	1.1
473.10022	0.2
475.12393	0.8
505.09882	100.0
506.10175	8.9
593.15015	3.2
635.16205	8.9
636.16888	0.7
644.46777	0.2
907.68799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03176	1.4
83.01104	4.7
83.01647	0.9
83.04783	0.8
83.14650	0.4
84.01926	0.5
85.02670	22.5
85.03243	4.4
85.99817	1.3
86.03056	0.5
87.00591	13.0
87.01186	2.3
87.04236	1.9
89.02153	23.7
91.51454	0.4
95.01087	4.2
95.01746	0.8
97.02657	4.8
97.03342	0.6
98.62646	0.4
99.00584	2.9
99.01274	0.8
99.04223	1.0
99.04809	0.4
101.02145	37.7
101.03239	1.2
102.02571	0.5
102.79789	0.4
103.03709	5.0
103.04453	0.6
109.02649	1.4
111.00622	0.7
112.01392	0.8
113.02138	23.3
113.03014	3.0
115.03703	2.8
117.75039	0.3
119.03184	11.8
119.04122	1.3
124.01364	1.8
124.12812	0.4
125.02118	9.9
125.03117	1.2
127.03687	4.9
127.04686	0.4
127.74747	0.3
129.01712	0.4
131.03175	4.9
137.02158	0.7
143.03168	11.2
145.04918	2.2
149.04263	0.8
155.03198	0.5
159.02647	0.4
161.04210	3.0
161.05693	0.6
161.88959	0.3
163.05774	8.7
163.07246	0.5
179.01778	0.4
179.05261	2.9
185.04263	0.5
185.40714	0.4
205.07097	6.3
206.07195	0.4
233.06372	1.6
247.08173	3.2
289.08936	1.1
359.25531	0.9
375.25067	1.3
445.29111	1.1
475.44260	0.4
492.76654	0.4
501.28287	0.4
537.30042	0.4
589.33795	0.6
607.35016	5.1
608.35040	0.5
683.36224	1.0
715.37164	2.2
716.37207	0.5
733.37872	2.8
734.38110	0.7
735.39728	2.8
751.39172	2.2
753.40955	3.4
769.40533	2.3
811.41205	1.5
863.44647	0.7
879.43481	1.2
881.45264	7.3
882.45251	0.9
897.44788	11.9
898.45325	2.3
899.46490	18.6
900.47101	2.5
915.45972	34.8
916.46429	5.1
939.46295	0.7
941.47888	3.2
957.46960	14.4
958.47095	2.7
1027.51208	5.8
1028.51440	0.7
1043.50671	69.2
1044.51123	14.6
1045.28735	0.5
1045.52258	28.7
1046.52454	4.9
1061.51746	96.5
1062.52112	17.7
1087.53271	8.7
1088.53882	1.7
1103.52795	100.0
1104.53003	22.6
1105.52625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03295	1.1
83.01261	3.6
83.04881	0.4
83.14663	0.3
83.69595	0.3
85.02824	17.1
85.99939	1.0
86.03127	0.3
87.00747	8.5
87.04334	1.1
89.02319	11.8
93.03307	0.3
95.01277	2.9
96.86497	0.3
97.02829	2.6
99.00750	1.6
99.04359	1.1
101.02322	19.4
102.02646	0.3
103.03890	2.8
108.02071	0.3
109.02820	1.3
111.00744	0.7
112.01505	0.5
113.02335	13.8
114.02582	0.3
115.03905	2.2
119.02596	0.3
119.03392	5.4
125.02344	3.2
127.03894	3.6
129.01852	0.4
131.03391	3.4
137.02237	0.4
143.02386	0.3
143.03406	5.7
145.04993	1.4
151.03900	0.3
159.02856	0.5
161.04439	1.8
163.06018	4.2
179.05531	0.3
199.65384	0.3
205.07097	3.5
233.06560	1.0
247.08128	1.5
272.68665	0.3
284.90891	0.3
289.09293	0.7
427.28552	0.4
607.34546	0.5
653.27875	0.3
769.40143	2.6
770.39594	0.5
863.79102	0.3
879.43774	0.4
881.94824	0.3
897.44830	11.1
898.45105	1.5
915.45941	45.1
916.46313	6.4
957.47198	2.7
958.47717	0.8
1007.48297	0.6
1025.48547	0.6
1043.50708	43.3
1044.50977	7.2
1061.51709	100.0
1062.52161	18.1
1103.52722	43.1
1104.52954	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	1147.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	1.2
83.01257	2.9
83.04866	0.6
84.02036	0.4
85.02823	17.4
85.99982	1.1
87.00253	0.5
87.00750	9.0
87.04395	1.3
89.02318	14.0
93.03287	0.3
95.01253	2.2
95.04872	0.3
97.02831	3.1
98.19678	0.2
99.00764	2.0
99.04356	1.0
101.02323	21.7
102.02658	0.2
103.03895	3.8
106.05803	0.3
108.02038	0.3
109.02847	1.6
111.00739	0.5
111.04381	0.3
112.01540	0.3
113.02332	13.7
115.03893	2.2
119.03393	5.9
123.04403	0.3
125.01609	0.3
125.02335	3.4
127.02981	0.3
127.03902	4.4
129.01810	0.3
129.71858	0.2
131.03391	3.5
135.04340	0.3
137.02327	0.6
141.01840	0.3
143.02385	0.5
143.03403	6.6
145.04933	1.4
155.03316	0.4
159.02835	0.4
161.04451	1.6
163.06035	4.6
167.03299	0.3
173.04446	0.3
179.05457	0.5
205.07123	3.2
233.06529	0.7
247.08165	1.6
289.09286	1.3
555.94489	0.3
607.34650	0.5
751.38483	0.3
769.40094	3.0
770.39874	0.4
879.44220	0.5
897.44904	10.1
898.45703	1.7
915.45966	49.1
916.46295	7.8
939.45673	0.5
957.47089	3.5
958.48090	0.4
1025.49280	0.4
1043.50696	40.6
1044.50964	7.9
1045.52832	0.4
1061.51721	100.0
1062.52124	18.5
1103.52795	38.1
1104.53113	7.2
1105.52979	0.5
1149.87585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03114	1.4
81.03632	0.8
83.01055	4.0
83.01615	1.6
83.04737	0.5
85.02612	16.6
85.03188	6.4
85.99807	1.1
86.00242	0.7
87.00529	8.8
87.01135	3.4
87.04173	1.3
89.02100	16.4
89.02717	6.0
90.02487	0.6
95.01035	3.9
95.01688	1.1
97.02584	3.8
97.03296	1.3
99.00520	2.7
99.04175	1.0
99.04765	0.6
101.02078	28.2
101.03249	1.1
103.03642	2.7
103.04374	1.1
109.02634	1.1
111.00527	1.1
111.01211	0.6
112.01372	1.0
113.02057	17.1
113.02943	4.1
115.03619	1.8
119.03116	7.3
119.04076	1.8
124.01361	0.7
125.02052	4.1
125.03036	0.7
127.03604	3.1
131.03110	4.9
131.04166	0.9
137.02138	0.6
143.03078	6.9
143.04285	1.2
145.04643	1.6
145.05713	0.6
149.93079	0.5
159.02655	1.2
161.04158	1.6
163.05681	3.1
175.02216	0.6
205.06738	2.5
205.73334	0.5
233.06377	1.1
247.07733	0.7
289.08987	1.1
427.31418	0.6
445.33118	2.6
478.88074	0.5
589.36884	1.4
607.38361	1.2
751.42401	1.0
769.43866	4.5
770.42572	0.7
879.48102	0.9
881.47839	0.7
897.48480	13.7
898.48279	2.3
899.49310	1.5
915.49609	28.8
916.49756	5.5
941.46576	0.8
957.50244	4.2
958.50903	0.9
1007.52850	1.1
1013.51984	0.7
1027.49353	0.6
1043.54333	100.0
1044.54626	23.0
1045.52063	0.7
1061.55408	91.5
1062.55798	20.6
1087.52039	1.1
1088.54565	0.8
1103.56421	99.8
1104.56567	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03342	2.0
83.01247	7.3
85.02823	25.9
85.06454	6.4
85.99956	2.2
86.03160	1.0
87.00752	15.2
87.04390	2.4
89.02321	25.0
95.01274	3.9
95.30008	0.6
95.90398	0.6
97.02824	5.1
99.00771	3.9
99.04408	1.5
101.02324	43.8
102.02673	1.2
103.03880	3.9
109.02840	2.5
111.00817	1.5
113.02329	24.8
113.05977	3.9
115.03905	4.3
119.03401	9.8
119.04845	0.7
123.04401	0.8
125.02338	6.9
127.03917	4.8
131.03397	8.5
131.07043	22.6
137.02309	1.6
141.01767	0.9
143.02383	0.8
143.03416	11.6
145.04965	2.8
155.03386	0.7
158.44200	0.6
161.04425	2.8
163.06021	7.5
173.04410	0.9
179.03351	0.9
179.05463	1.1
191.05579	1.3
205.07135	7.5
208.13791	0.7
233.06619	1.3
247.08266	3.1
271.02396	1.1
275.11469	7.1
289.09442	0.9
293.12457	19.6
300.02533	0.9
361.45792	0.9
452.37607	0.7
530.03888	0.8
641.35681	1.8
699.30090	0.9
771.41888	2.8
787.40619	1.2
814.98126	0.7
899.46423	14.7
900.46710	2.7
901.48212	1.0
917.47522	28.5
918.47424	5.3
959.48175	4.4
1045.52283	100.0
1046.52551	21.2
1047.53088	1.0
1063.53381	94.5
1064.53650	22.8
1089.53552	1.1
1105.54333	76.6
1106.54712	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03153	1.4
83.01075	3.7
83.01627	1.1
85.02635	17.1
85.03220	4.8
85.99798	0.9
87.00565	7.7
87.01161	2.1
87.04190	1.3
89.02122	13.7
89.02743	3.4
95.01053	2.8
97.02619	2.6
97.03315	0.8
99.00558	2.3
99.04244	0.7
101.02110	26.1
101.02858	5.3
101.03234	1.2
102.02448	0.5
103.03670	2.8
109.02611	1.2
111.00519	1.6
113.02092	17.6
113.02972	3.2
114.02525	0.5
115.03667	2.0
117.61964	0.4
119.03143	7.7
119.04105	1.4
120.59896	0.4
125.02081	4.0
127.03644	4.0
127.04661	0.7
129.01645	0.6
131.03130	3.7
135.04129	1.9
137.02081	0.7
143.03114	7.5
143.04373	1.0
145.04700	1.2
149.04266	0.6
159.02695	0.9
161.04163	2.0
163.05719	2.5
173.04153	1.9
178.33609	0.4
179.03160	0.9
179.05264	0.5
179.06815	0.4
191.05257	1.0
205.06776	3.5
233.06430	0.4
289.09079	0.7
353.08344	1.6
399.28448	1.0
417.29999	3.1
515.11481	1.1
520.43744	0.4
561.34094	1.3
579.34711	1.3
620.87091	0.5
675.38434	0.5
723.39539	0.9
741.40857	4.2
742.40552	1.1
816.19000	0.5
869.45343	3.9
881.44983	1.1
887.46564	9.9
888.45789	1.8
899.46960	1.9
929.47614	2.1
979.49512	0.5
1015.51172	54.8
1016.51508	11.0
1027.51233	11.5
1028.52148	3.1
1033.52295	41.7
1034.52368	8.2
1045.52112	9.7
1046.52417	2.4
1075.53271	100.0
1076.53674	23.2
1087.53247	17.2
1088.54016	4.2
1105.54712	2.0
1106.55383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03332	1.2
83.01260	5.0
89.03836	0.7
93.03320	1.8
95.01259	0.6
95.04920	2.6
97.02813	4.8
105.03345	0.6
107.04896	1.4
108.02033	1.5
109.02834	20.5
109.89572	0.5
110.03226	0.7
117.03352	0.6
118.18298	0.5
119.04801	0.5
121.02824	3.8
122.03625	1.1
123.04406	13.9
125.02333	100.0
126.02705	2.7
131.04922	1.2
133.02856	6.1
135.04440	2.0
137.02339	22.9
138.02966	0.6
139.03906	3.1
143.04939	1.3
145.02852	1.0
146.03615	1.3
147.04390	1.4
148.04710	0.6
149.02353	7.1
150.03082	1.4
151.03915	14.1
159.04425	4.4
160.05103	1.1
161.02348	30.8
161.05954	5.1
162.03082	3.6
163.00276	2.0
163.03923	4.6
164.01031	4.4
165.01837	6.2
165.05458	0.7
167.03366	1.5
173.06085	0.6
174.03185	1.2
175.03922	12.8
175.07539	1.5
176.01094	0.5
177.01859	8.4
177.05443	1.5
178.02451	0.8
179.03407	7.7
183.04424	0.8
185.05988	1.2
187.03929	9.9
187.05544	0.9
188.04727	3.6
189.01811	0.7
189.05530	1.0
191.03487	0.6
193.05043	0.9
199.03922	1.5
200.04709	0.5
201.05498	2.1
202.06233	1.5
203.03444	2.0
203.07066	11.6
204.07333	0.6
205.01366	3.5
205.05003	9.0
211.03935	1.9
212.04689	1.0
213.01921	0.6
213.05487	1.7
214.02608	0.7
215.03427	2.2
216.91278	0.5
217.05023	2.6
219.02975	0.8
219.06619	0.9
221.08080	1.6
225.05486	1.2
227.03593	2.8
227.07086	2.3
228.04234	1.9
229.04996	5.3
230.05713	0.9
231.02995	1.4
231.06456	1.0
241.05008	0.8
243.03024	5.1
243.06490	0.6
244.03557	1.1
245.04509	7.7
245.08174	19.3
246.08640	0.7
247.06154	1.6
253.05052	1.4
255.02969	13.8
255.05824	0.8
256.03714	6.6
257.04587	3.4
259.06091	0.6
269.04532	2.3
271.06116	1.2
273.04047	6.3
274.04645	0.6
281.04559	5.4
282.01810	0.9
283.02582	3.5
284.03146	1.0
285.04041	4.7
285.07025	0.8
287.05624	12.5
288.02750	1.0
288.05777	0.7
289.07166	66.1
290.07516	3.2
297.04050	1.7
297.07529	1.0
299.05615	6.3
315.08740	1.1
329.06766	1.0
339.08807	6.5
340.09595	0.6
341.06549	1.0
363.08795	1.2
381.09717	2.6
389.06583	1.6
407.07681	78.2
408.08051	7.4
409.09210	0.9
425.08755	61.4
426.09128	5.9
433.08624	0.7
449.08646	0.7
451.10330	22.2
452.10828	1.3
467.09991	1.0
559.12457	2.9
560.12653	0.6
577.13477	61.1
578.13770	7.3
1022.15448	0.6
1025.30396	0.7
1189.36060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01267	0.7
91.01794	0.2
93.03348	0.2
98.20944	0.2
104.57470	0.2
107.01273	2.4
108.02037	1.1
108.31655	0.2
109.02842	0.9
119.01210	0.2
121.02843	1.4
125.02353	0.4
135.00748	0.6
135.04463	0.3
148.01590	0.7
149.02368	0.4
151.00273	8.3
153.01805	0.3
159.04405	0.4
161.02376	0.4
163.00296	2.0
163.03954	0.3
164.01062	0.5
169.01321	0.7
171.04396	0.2
175.03973	0.2
176.30290	0.2
178.99791	4.2
183.04430	0.4
187.03868	0.5
188.55911	0.2
189.01881	0.2
190.99805	0.3
192.00536	0.4
198.03149	0.2
199.03928	0.6
201.01912	0.2
201.05527	0.6
211.03909	1.2
215.03482	0.5
216.04219	0.5
226.02660	1.1
227.03493	2.1
228.04225	0.2
229.04973	0.4
239.03325	0.3
243.02974	6.7
244.03548	0.6
245.04474	1.3
254.02208	2.1
255.02971	23.9
256.03412	1.6
257.04599	0.2
270.76917	0.2
271.02478	49.1
272.02951	3.9
273.03931	0.9
278.13660	0.2
283.02441	1.6
284.03165	0.6
285.03961	0.5
299.02081	2.0
299.05527	0.3
300.02740	100.0
301.03479	41.7
302.03873	2.3
313.03397	0.2
343.04553	0.5
445.07712	0.7
446.08102	0.2
463.08829	35.7
464.09149	2.7
505.09888	38.2
506.10233	3.2
545.12988	6.3
546.13434	0.7
547.11102	0.4
607.13049	83.0
608.13379	8.4
609.13434	0.2
635.15790	0.6
636.17059	0.4
700.70215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.9
57.03342	0.4
59.01232	1.0
60.82625	0.5
69.03321	0.5
70.64086	0.4
71.01252	1.8
71.04898	0.7
71.27541	0.9
73.02815	100.0
74.02366	0.5
74.03154	3.3
76.48708	0.4
81.03323	1.3
99.00747	8.2
116.92752	1.4
117.01013	0.6
117.01818	10.8
118.03963	0.5
121.10235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01246	0.7
91.01778	0.3
93.03316	0.2
94.44582	0.1
102.18307	0.1
107.01270	2.4
108.02059	1.3
109.02852	1.2
119.01263	0.3
120.02043	0.1
121.02847	1.6
123.00867	0.1
124.01500	0.3
125.02299	0.2
135.00784	0.7
139.03864	0.1
143.04933	0.1
147.00810	0.2
148.01552	1.1
149.02339	0.4
151.00278	8.7
152.00815	0.2
153.01801	0.3
156.86652	0.1
159.04373	0.5
161.02356	0.2
163.00299	2.2
164.01057	0.5
165.01897	0.1
167.04922	0.1
169.01399	0.6
169.02611	0.1
171.04469	0.2
173.06027	0.1
175.03938	0.2
178.99779	4.3
183.04433	0.4
185.06032	0.2
187.03902	0.5
188.04742	0.1
190.02547	0.2
190.99825	0.4
192.00522	0.4
193.01187	0.1
198.03171	0.2
199.03955	1.0
200.04762	0.2
201.01956	0.3
201.05574	0.2
203.03432	0.4
211.03947	1.3
212.04390	0.2
213.01837	0.2
213.05547	0.1
214.02533	0.2
215.03458	0.6
216.04213	0.6
226.02649	1.3
227.03445	3.2
228.03860	0.2
229.01382	0.3
229.04990	0.7
231.02960	0.1
239.03467	0.3
243.02968	10.0
244.03407	0.9
245.04517	1.3
254.02219	2.2
255.02966	26.8
256.03415	1.5
257.04572	0.2
266.02106	0.2
270.01630	0.1
271.02472	57.2
272.02939	4.1
273.04037	1.0
283.02499	1.4
299.01984	1.5
300.02740	91.4
301.03464	33.1
301.10593	0.2
302.03833	1.7
313.03275	0.1
341.02893	0.1
343.04568	0.2
463.08841	1.9
504.09253	0.1
505.09863	100.0
506.10168	8.2
705.07794	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	1173.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
81.52864	0.1
83.01255	0.4
84.53658	0.1
93.03319	0.2
107.01276	1.3
108.02045	0.8
109.02836	1.0
119.01310	0.2
121.02824	1.0
125.02283	0.2
135.00768	0.5
137.02251	0.1
148.01540	1.0
151.00266	5.3
151.01485	0.3
153.01782	0.3
163.00275	1.0
164.01079	0.4
165.01888	0.2
169.01340	0.3
171.04340	0.2
178.99757	2.7
183.04440	0.5
187.03806	0.3
188.27814	0.1
189.05463	0.2
190.99782	0.2
192.00543	0.2
199.03914	0.5
201.01918	0.2
201.05383	0.2
203.03413	0.2
208.04369	0.2
211.03909	0.7
215.03470	0.6
216.04147	0.3
226.02701	0.9
227.03456	2.0
228.03851	0.2
229.05040	0.4
240.04195	0.2
243.02971	6.5
244.03494	0.6
245.04533	0.9
254.02243	1.2
255.02962	17.6
256.03314	0.8
257.83212	0.1
263.22421	0.2
271.02469	35.6
272.02917	2.1
273.04022	0.5
283.02466	0.8
284.03329	0.3
296.03354	0.2
299.01993	1.3
300.02731	57.8
301.03467	19.9
302.03857	0.9
332.51343	0.2
341.02814	0.3
342.03287	0.2
445.07709	0.4
463.08817	1.5
503.08511	0.4
504.08850	0.4
505.09857	100.0
506.10184	7.2
585.11426	0.1
623.16400	0.5
635.16107	0.4
1152.26147	0.2
1156.61426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.548
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03328	2.2
83.01254	5.5
93.03326	3.5
95.01244	1.7
95.04910	2.7
97.02820	7.3
98.19756	1.7
101.02300	1.7
105.03314	1.2
108.02122	1.1
109.02837	21.4
111.00736	0.9
113.02293	0.8
117.03349	1.2
119.04930	0.9
121.02856	5.0
122.03635	1.0
122.06677	0.9
123.00758	1.2
123.04404	15.3
124.01547	0.8
125.01450	1.5
125.02336	22.2
133.02849	1.5
135.04442	3.9
137.02345	24.6
138.03108	3.1
139.03909	4.0
145.02849	2.2
146.03636	2.9
147.04427	1.7
149.02359	7.4
150.03093	1.2
151.03896	6.4
158.03668	1.1
159.04431	4.5
160.05177	2.2
161.02335	3.8
161.06001	8.0
162.03163	3.4
163.00293	2.6
163.03923	2.8
164.01085	6.1
165.01834	11.3
166.02612	1.9
167.03391	2.9
173.05939	1.5
174.03105	1.4
175.03949	5.2
175.07584	2.8
176.01057	1.1
177.01848	6.7
177.05484	2.0
179.03441	6.6
185.06058	1.2
187.03928	7.2
188.04689	4.6
189.01878	1.2
189.05496	1.3
191.03477	0.8
193.05191	1.0
199.07628	0.9
201.05522	2.5
202.06284	3.4
203.03435	1.7
203.07080	14.8
204.04189	1.1
205.04977	10.4
207.06445	1.3
211.13354	1.2
213.05652	1.0
217.04964	2.3
221.08163	2.4
227.07152	2.6
230.05795	1.1
231.02919	1.3
231.06552	0.9
233.04443	1.0
235.06126	1.9
241.05057	0.9
243.02951	0.8
245.08154	17.4
247.06117	2.2
257.04437	2.4
259.06271	1.4
261.03931	1.0
271.05975	1.4
275.05591	1.4
277.21640	3.8
285.03998	7.6
286.04752	1.3
289.07184	61.5
290.07568	3.6
303.05130	10.7
304.05756	1.2
312.36087	0.9
313.14746	0.8
331.15439	1.0
435.18289	1.0
479.17654	0.8
587.61951	0.8
709.02234	0.8
967.49359	1.2
993.50964	1.0
1005.50012	1.1
1017.51392	1.1
1021.49811	5.7
1111.54724	1.6
1129.52246	2.4
1155.53711	14.5
1156.53186	3.9
1173.54895	100.0
1174.55286	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00218	2.4
56.02600	0.8
63.26196	0.7
65.01330	4.9
65.99713	4.7
68.01286	2.4
69.65224	4.4
70.09357	0.7
77.01325	1.4
91.02897	2.6
91.05386	1.5
92.01302	3.6
92.02415	0.8
93.00835	2.2
93.03339	3.7
117.03325	1.3
118.04028	1.6
119.02468	9.6
119.03471	2.6
119.04914	100.0
120.01962	4.7
120.05579	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	3.0
56.61921	0.4
58.86736	0.4
59.01242	1.6
64.01791	1.1
65.01321	7.9
65.99721	5.5
66.00830	0.5
68.01285	2.1
69.86774	0.8
69.87180	1.4
70.46861	0.4
71.01260	1.0
72.82597	0.4
72.99174	1.0
73.02808	0.9
77.01324	2.6
79.02879	0.9
91.02888	4.2
91.05415	1.6
91.45319	0.4
92.01295	4.6
92.02414	2.2
93.00828	3.0
93.03340	4.1
104.02451	1.1
106.86350	0.4
117.03368	0.5
118.03999	1.7
118.92521	0.6
119.02441	12.7
119.03475	3.0
119.04910	100.0
120.01942	8.1
120.05573	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50305	1.7
55.01758	17.4
57.03325	42.7
58.02842	1.6
58.03651	1.9
59.01226	4.1
64.95237	2.1
65.01286	2.0
67.01760	100.0
67.05394	1.9
68.02092	4.5
68.99687	37.8
71.00211	4.1
71.01254	15.0
72.99178	16.0
73.02816	9.4
77.85345	1.9
83.01260	8.3
83.04933	1.9
85.02820	17.8
85.81767	1.7
87.00755	10.1
87.62437	1.7
88.03918	4.7
96.99179	5.0
99.00759	6.6
101.02304	6.7
111.00800	2.8
112.53112	1.7
126.85863	1.8
129.01826	33.2
129.05437	2.1
130.02144	2.7
130.03996	15.6
130.08603	7.8
144.27092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69389	6.0
55.01763	15.8
57.03318	54.1
67.01759	100.0
68.99692	41.3
71.00121	16.8
71.00450	7.4
71.01249	27.9
72.99161	16.1
83.01280	9.0
85.02817	26.3
87.00751	8.8
98.20467	7.1
101.02294	8.1
129.01866	34.5
130.08582	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	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.2
57.03324	14.9
59.01243	5.7
63.26132	1.5
69.03324	3.5
69.73643	8.6
71.01252	36.1
72.99193	2.6
73.02820	56.7
85.02824	57.6
85.06463	4.2
87.00773	2.0
87.04393	10.5
88.03907	1.7
92.89014	1.5
113.02318	4.0
130.04044	7.2
130.08627	100.0
131.03426	26.2
131.08987	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00221	0.5
55.01741	0.6
57.03316	5.1
59.01234	2.1
64.00523	0.4
64.01803	0.4
65.01315	6.1
65.99700	1.0
66.01643	1.0
67.02897	2.9
69.03324	6.0
69.20693	1.6
69.21115	2.6
71.01253	11.2
72.99175	1.8
73.02819	13.3
75.00726	0.7
77.01307	1.7
81.04445	0.8
83.04910	1.1
85.02824	21.1
85.06462	100.0
86.03176	0.7
86.06796	6.1
87.00748	0.5
87.04382	3.5
88.03898	0.5
89.01323	6.2
89.57230	0.4
90.00852	1.2
90.01640	0.5
91.02896	5.2
98.19820	0.7
100.65395	0.3
104.02492	1.9
104.03066	0.5
105.04459	1.7
113.02316	1.5
113.05981	1.9
129.05470	1.3
130.02702	2.0
131.01276	0.6
131.03506	29.9
131.04343	2.0
131.07033	36.6
132.01990	0.7
132.03914	1.1
132.05557	5.3
132.07370	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.0
57.03327	5.4
59.01237	1.8
65.01321	5.5
65.99725	1.0
66.01636	0.8
67.02896	3.0
69.03326	13.9
69.77670	0.6
71.01253	9.3
72.99187	1.5
73.02822	13.1
75.00741	1.2
77.01319	1.5
81.04446	1.0
85.02826	22.1
85.06463	100.0
86.03176	0.9
86.06795	6.0
87.04400	3.8
89.01327	6.4
90.00838	0.8
90.01662	0.7
91.02892	3.8
104.02456	2.6
105.04441	1.3
113.02328	0.9
113.05991	3.7
129.05472	1.7
130.02779	1.6
131.03516	30.9
131.04362	2.7
131.07034	35.9
132.01953	1.1
132.03900	1.5
132.05550	5.9
132.07372	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67495	1.1
55.62468	1.1
57.03309	2.2
59.01247	20.6
69.03318	1.5
70.92348	2.4
70.92706	1.8
71.01250	38.3
71.04902	2.3
72.99171	1.9
73.02820	34.0
75.00737	3.1
81.03330	11.7
83.01244	1.4
84.02020	2.1
85.02821	100.0
86.03168	4.2
87.00764	2.0
89.02312	7.4
99.04412	2.8
101.02341	10.5
101.03696	1.2
103.03880	7.8
115.03898	2.3
117.05473	4.6
133.04955	1.5
134.03709	1.4
135.04413	8.2
135.05272	1.1
135.06529	7.0
136.04744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50787	0.9
57.03321	3.2
59.01256	17.8
69.03318	2.3
69.75761	5.5
71.01253	43.1
71.04897	2.9
72.01582	2.0
72.99167	1.6
73.02818	32.1
74.03161	1.6
75.00755	1.2
81.03339	11.7
81.03783	1.6
83.01237	0.9
84.02045	2.4
85.02825	100.0
86.03176	3.7
87.00735	1.1
89.02322	9.0
93.03316	1.8
97.02818	1.4
98.19867	1.1
99.04404	2.7
101.02333	11.5
103.03893	6.7
107.04902	2.2
108.02035	2.5
115.03881	1.3
117.05448	1.7
134.03625	2.8
135.04413	18.9
135.06514	5.9
136.04819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.5
58.00455	1.5
59.01253	17.6
69.03297	1.3
71.01254	39.4
71.04906	1.7
71.22858	1.9
72.01595	1.4
72.99177	1.6
73.02820	29.6
75.00723	2.1
81.03320	12.9
84.02022	1.7
85.02822	100.0
86.03162	4.1
87.00750	1.6
89.02326	8.9
94.22784	1.0
99.04398	2.6
101.02328	11.1
103.03896	7.0
107.04916	4.6
108.02042	2.3
117.05447	2.7
134.03636	4.4
135.04414	35.7
135.06499	7.4
136.01602	1.5
136.03894	1.9
136.04797	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	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48361	1.3
57.03323	3.6
59.01254	18.1
64.14725	1.7
69.03327	1.9
70.42914	2.6
70.43317	3.2
71.01253	45.4
71.04898	2.2
73.02821	25.1
81.03347	9.7
81.03745	2.1
84.02070	2.1
85.02823	100.0
86.03160	4.2
87.00735	2.2
89.02315	6.8
99.04372	2.3
101.02301	6.1
101.58778	1.7
103.03876	4.4
107.04874	2.4
132.12782	1.5
134.03619	2.6
135.02859	1.6
135.04433	15.7
135.06512	4.9
145.60965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.6
58.00467	0.8
59.00957	1.1
59.01249	16.6
69.03319	2.4
71.01254	41.1
71.04874	2.4
71.50666	1.0
72.01590	0.7
72.99150	1.1
73.02818	30.5
74.03146	1.1
75.00725	1.4
77.44540	0.6
81.03327	13.1
81.10297	0.6
84.02037	2.3
85.02822	100.0
86.03139	3.9
87.00754	1.7
88.88528	0.5
89.02321	8.2
93.03343	1.4
94.02853	1.0
97.02845	0.8
99.04391	2.0
101.02332	9.8
102.02656	1.0
103.03881	7.2
106.04047	1.0
107.04922	3.2
108.02051	2.4
109.81776	0.7
115.03891	1.1
117.05461	2.9
133.04944	0.8
134.03654	4.3
135.04411	26.7
135.06525	6.7
136.01572	1.1
136.03928	1.9
136.04817	1.5
138.45645	0.6
141.18860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24280	1.2
57.03318	2.8
58.00459	1.5
59.01249	20.9
69.03318	4.0
69.50964	1.1
70.63728	1.6
70.64061	2.7
71.01252	41.9
71.04887	3.0
72.01584	1.2
72.99168	2.2
73.02818	32.5
74.03156	1.2
75.00747	3.1
81.03327	10.6
84.02024	3.1
84.75610	1.2
85.02822	100.0
86.03159	3.9
87.00739	2.1
89.02317	8.5
99.04404	3.1
101.02316	8.9
103.03899	6.2
107.04893	1.2
108.02048	1.3
117.05283	1.1
134.03606	1.5
135.04401	8.2
135.06554	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	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
60.75913	0.7
65.01340	0.9
65.99699	1.5
66.00845	1.7
66.03342	1.1
67.01762	4.6
67.02863	0.9
68.01284	2.2
68.99689	2.0
69.03327	1.1
69.94278	3.7
81.04450	0.8
82.17531	0.7
83.01263	3.2
83.04905	1.0
93.03324	2.5
94.02876	1.4
94.03678	7.1
95.01287	2.1
95.02376	1.1
95.04901	3.2
96.00809	0.7
96.05495	0.8
97.02850	0.9
97.03951	1.2
108.02055	5.4
109.03938	0.8
110.02363	2.3
111.00759	21.7
111.01904	1.8
111.04399	1.8
115.05911	0.7
120.01904	1.8
122.02354	2.4
123.03156	73.4
124.01537	2.1
124.03521	4.8
136.00333	1.9
138.01866	11.9
138.02821	3.7
138.05508	100.0
139.00293	9.8
139.03951	7.4
139.05867	7.6
139.07545	1.0
155.02213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00190	21.6
54.26690	1.7
57.75856	1.7
58.00459	1.5
59.01247	6.7
60.13875	1.3
68.99682	6.6
70.84802	2.3
71.01254	48.9
72.99193	2.8
80.99696	9.0
81.95933	1.5
83.01273	2.1
85.02844	3.7
87.00745	12.4
96.99192	30.8
104.44464	1.8
106.25346	1.5
112.98688	31.7
113.99047	1.7
115.00253	8.6
116.83985	1.6
124.98700	79.5
125.02315	2.2
125.99010	5.0
140.98209	10.3
142.99763	100.0
144.00139	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	27.3
55.01746	2.8
59.01252	13.3
63.33721	2.8
68.99695	8.4
69.03317	4.0
69.51788	18.6
71.01255	72.6
72.99176	4.9
73.02831	3.3
75.73935	2.3
77.86028	3.0
80.99689	8.7
81.03333	3.9
83.01261	8.3
84.05193	2.5
85.02832	10.6
87.00736	18.7
87.04403	6.1
96.99200	36.3
97.99490	2.4
99.04418	4.2
112.98692	36.4
113.99033	2.9
115.00253	12.2
124.98692	84.9
125.02345	8.7
125.99057	3.5
138.06642	2.5
140.98209	9.3
142.99767	100.0
143.03447	10.8
143.06992	3.8
143.10670	11.0
144.00110	6.9
144.04469	12.1
158.99361	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	144.0446
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.23226	0.4
51.97239	0.4
59.01260	0.6
65.99717	0.5
71.01261	1.2
71.04884	0.4
71.22823	0.6
81.03333	1.1
83.04884	1.0
83.24059	0.4
85.02826	0.5
87.00763	0.8
89.01329	0.6
99.04398	1.0
101.05965	1.4
102.03382	1.7
115.00252	0.5
116.04974	0.8
116.06728	0.4
116.56711	0.4
144.04460	100.0
145.01456	0.6
145.02881	1.0
145.04820	9.6
145.08624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00208	1.3
53.45193	0.7
57.03045	0.6
57.03308	1.0
59.01242	0.9
64.01792	1.6
64.88179	0.5
65.01318	5.8
65.99726	3.5
66.00840	1.7
68.58575	0.5
69.77239	3.6
71.01250	1.6
71.04890	0.7
73.02835	0.9
77.01318	4.8
81.03327	1.6
81.04451	1.6
83.04894	2.8
89.01328	0.9
90.00848	1.8
91.02888	2.9
97.06477	2.5
99.04406	1.7
99.08035	100.0
100.08370	6.5
101.05952	2.2
102.05475	0.9
103.01640	1.1
103.02914	0.6
104.02454	0.6
105.03226	1.1
105.04450	1.5
106.01594	1.2
116.02441	1.9
117.03370	3.1
118.02888	3.1
118.03994	16.9
119.02409	8.4
119.03497	1.1
119.04276	0.9
127.07508	1.3
128.03391	0.7
130.02724	1.0
131.01099	0.7
139.33195	0.6
143.06958	1.1
144.01938	1.1
145.01443	1.7
145.02766	2.6
145.03944	1.6
145.05042	10.7
145.06120	1.0
145.08606	33.6
146.02368	8.9
146.03503	7.1
146.04523	0.9
146.06010	0.6
146.07126	2.7
146.08952	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	147.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59452	6.4
56.18879	5.1
57.03338	6.1
59.01234	18.3
65.01321	35.1
65.87733	5.5
65.99722	17.0
67.02884	6.9
69.16740	24.9
69.17175	36.1
71.01256	15.9
72.99194	7.6
76.06167	5.7
79.02861	6.1
80.51398	4.7
85.51161	5.1
98.19799	13.5
99.17346	5.3
105.04425	13.2
106.03989	24.8
107.02367	6.9
117.14094	5.7
118.61050	5.8
119.04913	29.1
119.05785	5.4
120.01917	8.3
120.05470	6.7
121.03954	15.7
129.90685	5.5
147.01913	10.4
147.03084	11.8
147.04428	100.0
147.05565	8.3
147.06592	9.4
148.05040	56.1
162.64076	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	147.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59452	6.4
56.18879	5.1
57.03338	6.1
59.01234	18.3
65.01321	35.1
65.87733	5.5
65.99722	17.0
67.02884	6.9
69.16740	24.9
69.17175	36.1
71.01256	15.9
72.99194	7.6
76.06167	5.7
79.02861	6.1
80.51398	4.7
85.51161	5.1
98.19799	13.5
99.17346	5.3
105.04425	13.2
106.03989	24.8
107.02367	6.9
117.14094	5.7
118.61050	5.8
119.04913	29.1
119.05785	5.4
120.01917	8.3
120.05470	6.7
121.03954	15.7
129.90685	5.5
147.01913	10.4
147.03084	11.8
147.04428	100.0
147.05565	8.3
147.06592	9.4
148.05040	56.1
162.64076	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87380	0.2
59.01249	4.8
69.03336	2.2
69.66943	1.5
71.01254	34.4
72.01590	1.3
73.02818	17.8
73.62969	0.3
74.03135	0.6
79.94698	0.3
81.62895	0.3
81.71318	0.3
85.02827	0.9
87.00751	10.8
87.01282	0.6
88.01041	0.3
89.02317	100.0
90.02642	3.5
101.02289	1.2
102.07713	0.3
103.03888	4.9
119.68636	0.3
121.02800	1.3
122.03590	0.3
131.03389	9.4
132.03712	0.3
149.04463	28.5
150.03087	0.3
150.04718	1.7
150.82738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27807	0.3
54.34500	0.4
54.58819	0.3
56.06541	0.3
58.02839	0.4
59.01245	5.1
61.85799	0.4
65.01321	2.2
65.99728	1.8
67.02872	1.8
69.03323	2.3
69.69989	2.4
71.01254	37.4
72.01584	1.5
73.02818	14.9
75.00747	0.6
75.05873	0.4
81.04420	0.5
85.02797	0.7
87.00752	11.7
88.01121	0.4
89.02316	100.0
90.02626	3.3
91.02870	0.4
92.02420	0.8
93.03336	2.2
94.02853	0.7
95.01266	0.5
95.04923	0.6
101.02320	1.2
103.03884	5.2
106.03985	1.6
107.02393	0.9
107.04301	0.4
108.01941	0.5
108.04453	0.4
109.03960	0.6
120.01922	1.1
121.02844	6.7
121.05035	0.4
122.02354	0.9
122.03421	1.1
123.01890	1.3
123.04438	0.6
131.03403	9.6
132.03754	0.5
134.03618	0.8
149.02362	4.0
149.04463	28.8
149.05840	1.0
150.00089	0.7
150.03072	2.6
150.04799	1.6
150.06627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.3
64.22227	1.0
69.03333	1.8
71.01254	28.1
71.10489	1.8
73.02818	17.3
87.00755	9.2
88.12412	1.1
89.02318	100.0
90.02660	3.1
93.03339	2.8
103.03899	3.6
121.02865	3.2
131.03407	9.8
138.80786	1.1
139.03925	3.6
149.02367	3.5
149.04466	28.9
149.05656	1.8
150.03143	6.2
150.04793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.0
65.01328	1.2
65.99734	1.3
69.03326	2.0
69.81369	2.7
71.01256	35.5
72.01589	0.8
73.02818	18.8
85.02825	1.0
87.00756	9.9
89.02319	100.0
90.02659	3.2
93.03336	1.1
101.02322	1.2
103.03894	3.4
121.02852	3.3
131.03412	10.1
132.10121	1.0
138.45811	0.7
149.02460	1.4
149.03311	1.5
149.04466	27.9
150.03058	1.5
150.04791	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	3.7
63.01217	0.9
69.03324	2.0
71.01254	37.0
71.09044	1.5
72.01573	1.6
73.02819	21.7
76.96305	0.8
85.02818	0.9
87.00748	12.0
89.02315	100.0
90.02674	3.2
101.02326	1.2
103.03908	3.4
110.76901	0.9
126.29234	0.8
131.03384	8.7
132.03738	0.8
149.04456	28.8
150.04768	1.0
157.87576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30146	0.4
59.01254	1.3
65.01322	1.1
65.99707	0.4
67.01782	0.4
67.02882	1.0
69.47850	2.7
71.01262	2.1
73.02831	1.1
75.55369	0.3
83.01270	0.5
83.02361	0.5
89.02309	1.1
90.02676	0.4
91.02934	0.4
93.03323	1.2
95.01218	0.5
101.02345	0.8
107.04922	1.0
107.88930	0.3
108.02045	1.5
108.04455	0.6
109.02852	0.8
109.04001	0.4
118.60846	0.4
121.02857	1.7
122.03643	4.9
123.00774	3.8
123.01897	0.7
123.04448	3.9
124.01514	0.6
133.02820	0.6
136.01564	5.8
137.02336	1.0
139.03922	3.0
140.04242	0.5
149.02364	6.8
150.03131	100.0
151.00259	0.5
151.03503	8.4
151.06012	0.8
154.02643	0.9
157.87732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.6
57.03297	1.2
59.01252	23.4
63.02252	1.2
65.01314	3.9
65.99725	3.0
67.01772	1.9
67.02885	3.9
68.01296	1.2
68.99662	1.4
70.31779	3.2
70.32134	2.5
71.01256	55.0
71.25930	1.1
72.01614	2.0
73.02824	16.4
81.03333	4.7
83.01260	3.6
85.02829	3.8
87.00782	1.9
89.02315	24.3
90.02667	3.5
91.02831	1.4
93.03349	5.1
95.01283	5.9
95.04931	3.3
101.02324	30.2
105.03351	4.2
107.01255	2.0
107.03740	1.8
107.04912	17.0
108.02032	16.3
108.04443	3.6
108.05569	1.7
109.02827	6.3
109.03951	3.6
117.01838	6.6
118.70396	1.3
119.03389	2.5
120.01891	3.5
120.21393	1.3
121.02855	8.7
122.02361	2.0
122.03670	13.4
123.00793	8.0
123.01904	5.0
123.04412	50.3
123.05314	2.8
124.01519	1.3
133.02852	1.9
133.05035	3.4
136.01563	100.0
137.02393	1.8
139.03917	3.1
149.02357	8.9
150.00078	5.2
150.03123	97.9
150.05608	3.6
151.00435	2.3
151.03937	71.6
151.06020	18.3
151.07541	4.3
151.11098	1.3
154.02696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18005	0.7
58.72546	0.7
59.01251	4.2
63.28960	0.6
63.94630	0.7
65.01301	0.9
69.90208	3.0
70.12576	0.7
71.01257	6.9
73.02826	3.5
79.01780	0.8
81.03349	1.6
85.72945	0.8
88.42084	0.8
89.02323	5.5
93.03336	1.6
95.01234	1.7
95.04941	0.8
101.02319	6.4
105.03395	0.8
107.04951	3.8
107.90302	0.7
108.02041	2.8
115.16976	0.8
117.01868	1.1
120.01922	1.0
121.02843	2.8
122.03641	6.4
123.00770	3.9
123.01891	2.2
123.04446	8.9
136.01556	17.9
137.02353	1.3
139.03906	2.6
149.02357	7.0
150.03127	100.0
151.03911	15.6
151.05891	4.4
154.02634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41660	0.5
55.01739	0.6
55.34984	0.5
57.03285	0.5
59.01260	0.6
61.98692	0.7
65.00183	1.0
65.03822	0.8
66.03344	1.6
69.03322	2.3
71.04897	1.3
71.39400	0.9
81.03331	5.4
82.00467	0.5
82.02851	1.5
83.01241	1.3
83.04899	1.6
85.02817	0.7
85.25607	0.6
91.01756	1.1
95.01267	0.9
97.02788	1.3
97.06466	14.2
99.08042	4.4
107.01260	1.2
108.02048	10.2
108.04435	0.6
109.02837	100.0
109.06460	2.9
109.99986	6.4
110.02430	1.1
110.03159	6.1
110.06009	0.8
110.90409	0.6
111.04436	0.7
112.03941	1.3
123.00754	1.2
123.04448	2.9
124.03939	3.3
124.04700	0.6
125.02319	4.5
125.09614	1.0
135.04445	1.6
136.03986	1.3
137.09637	1.3
137.99475	4.6
151.00253	2.7
151.11162	1.7
153.01842	29.2
153.05490	5.7
153.09120	0.9
153.12755	44.8
153.86761	12.6
153.88023	0.9
154.01230	0.8
154.02301	1.1
154.04970	2.5
154.13063	4.7
167.43100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.3
57.03328	1.2
58.02830	1.6
59.01227	1.1
65.01312	1.7
65.99722	0.7
67.01768	1.5
68.99694	0.8
69.47262	5.6
70.02864	1.1
70.29477	0.6
71.01253	1.4
73.02822	9.8
74.02374	0.9
75.50124	0.7
81.03337	1.4
83.01266	4.4
83.01679	0.7
83.04896	3.7
84.00787	1.3
84.04417	3.8
85.02814	2.9
86.02392	0.6
89.01328	1.3
93.03333	10.4
95.01222	0.8
95.04866	0.8
96.00777	2.4
99.04430	0.9
100.03916	0.8
101.01338	1.3
102.00847	1.1
109.02834	1.9
109.06586	1.0
111.00773	2.3
111.04404	4.1
112.03906	1.2
113.02341	1.3
113.03445	0.9
113.07074	1.0
114.00865	0.9
114.05492	9.6
123.00745	0.9
127.00257	2.0
127.03877	0.9
128.02441	1.4
129.04501	2.5
135.08025	0.8
137.02341	3.0
137.06012	1.1
137.09645	4.9
140.01045	3.1
154.02751	1.8
154.47992	0.7
154.99776	2.6
155.02438	1.8
155.03532	13.5
155.04597	1.2
155.07079	2.3
155.10681	100.0
156.04388	0.9
156.05563	8.2
156.06621	1.4
156.11023	9.5
163.98300	0.7
164.95897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.9
58.02856	1.7
59.01238	2.7
65.01317	3.4
65.76951	1.3
67.01759	1.4
69.23992	5.8
69.24427	8.3
71.01226	1.7
73.02823	7.8
74.02345	2.1
80.53317	1.3
83.01255	2.9
83.04896	3.2
83.42606	1.4
84.04409	7.0
85.02810	3.4
89.45405	1.3
93.03333	10.4
93.17065	1.3
94.03662	1.5
95.38258	1.6
96.00776	4.5
98.02345	2.3
98.20606	2.1
99.04414	1.8
101.01335	2.5
109.02851	1.9
111.00742	2.2
111.04391	4.8
111.08003	2.0
113.03460	1.7
114.01853	2.0
114.05511	10.2
127.00251	6.4
128.02379	2.0
129.04514	1.9
137.02310	1.6
137.09570	3.7
140.01064	4.3
154.02675	2.3
154.99771	4.1
155.02403	2.2
155.03526	23.3
155.10680	100.0
156.02930	2.7
156.05557	7.1
156.06639	1.9
156.11072	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	155.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.0
58.02843	1.1
59.01249	1.0
65.01317	1.3
67.01762	1.0
69.37237	1.6
69.37675	1.9
71.01258	1.4
72.00790	0.4
73.02821	8.1
73.03206	0.8
74.02346	0.5
81.03321	0.9
83.01255	1.6
83.04915	1.2
84.00783	0.6
84.04427	2.3
85.02821	2.0
89.01322	0.5
93.03340	5.1
95.02378	0.5
96.00800	1.4
101.01340	1.3
102.00837	0.5
111.00757	0.9
111.04437	2.3
111.73636	0.5
112.03904	0.6
113.02329	1.2
113.03478	0.8
114.01859	0.8
114.05499	4.0
121.56642	0.5
124.40951	0.4
127.00289	1.1
128.02457	0.6
129.04510	1.0
137.02357	1.1
137.09621	5.1
139.15604	0.4
140.01057	1.3
154.02750	0.9
154.99765	1.0
155.02478	0.6
155.03514	8.6
155.10687	100.0
156.02998	0.8
156.05574	3.9
156.06621	0.8
156.11034	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	157.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	19.5
57.03315	5.1
59.01250	5.8
62.43404	2.7
68.99689	100.0
69.30286	21.9
70.00034	2.9
71.01251	17.5
72.99183	6.8
75.00732	8.3
76.98093	2.7
83.01257	3.4
83.04912	6.4
85.02820	6.9
87.00748	7.9
95.04904	7.2
96.99198	47.9
98.20611	5.6
99.00748	18.1
101.02325	6.3
111.00716	4.1
111.08030	4.2
112.03900	2.8
113.05976	6.8
113.09605	6.4
115.00253	5.1
115.05846	3.1
116.07040	12.9
124.98705	41.3
127.00260	33.6
129.01820	21.2
139.07593	4.0
142.99715	2.6
157.01340	40.9
157.04970	11.0
157.08615	31.2
157.12279	15.6
158.03465	6.1
158.05980	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	161.0236
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.01744	0.4
57.03322	1.4
58.00484	0.3
59.01249	6.7
65.01315	0.5
65.99735	0.4
68.99654	0.3
69.03338	0.7
69.59893	1.6
71.01250	6.0
71.01614	0.4
72.99181	0.9
73.02814	3.0
75.00745	0.3
77.03846	0.6
81.03329	1.1
83.01244	2.4
85.02823	9.9
86.03188	0.4
87.00748	0.8
89.02317	2.2
89.03841	0.8
91.02911	0.4
95.04934	0.3
97.02831	1.0
99.04398	0.5
101.02321	0.6
104.02552	0.6
105.03352	1.8
107.02391	0.3
113.02330	0.6
115.01780	0.8
118.03996	0.3
120.01962	0.3
123.04427	0.4
125.02435	0.4
129.01877	0.3
131.03394	4.9
132.02065	8.2
133.02849	100.0
134.03185	7.2
143.03432	0.3
154.38106	0.2
159.02940	0.3
160.01514	0.3
161.02350	78.4
161.04306	7.3
162.01530	0.4
162.02727	6.1
162.04739	0.4
183.40541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51014	0.8
53.16513	1.0
55.01746	4.2
57.03086	1.0
57.03324	11.2
58.00457	3.6
58.19605	0.8
59.01252	56.8
59.98375	0.9
60.01574	1.7
65.01308	4.2
65.99733	1.7
69.03315	7.8
69.98566	2.5
69.98962	2.0
71.01254	74.6
71.04892	37.8
72.01582	1.5
72.05231	1.8
72.99179	10.8
73.02823	28.8
73.03239	1.7
75.00735	2.8
81.03333	12.5
83.01261	20.7
84.02042	2.6
85.02824	89.3
86.03167	3.8
87.00761	8.1
87.04391	20.6
87.23120	0.9
89.02318	19.9
91.02896	1.5
92.01324	0.9
92.02438	1.2
93.00820	1.6
95.01268	1.3
97.02830	7.8
99.00752	2.9
99.04396	100.0
100.04726	5.1
101.02317	6.6
101.05959	1.3
101.64469	0.9
104.02522	1.1
105.03294	1.2
109.19748	1.0
113.02338	6.8
113.05972	2.0
115.03899	51.0
115.07531	12.7
116.04245	3.2
117.03344	2.2
117.05465	42.6
118.02870	1.5
118.05801	1.8
120.01949	1.7
121.02704	2.8
125.02338	3.2
129.01790	2.2
131.03401	39.6
132.02075	6.1
132.03708	1.5
133.02855	51.9
134.03458	8.9
143.03413	2.2
159.02917	2.3
161.02383	40.1
161.04472	51.4
161.05872	2.6
161.08102	97.2
162.01675	1.6
162.02786	3.9
162.04716	1.6
162.08450	7.0
171.36023	1.1
172.18953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.63036	0.4
65.01314	0.4
71.10704	0.6
80.64228	0.4
82.03999	0.6
91.75183	0.4
93.03339	2.6
101.02293	0.4
102.32542	0.4
105.05356	0.3
119.04918	100.0
120.04443	0.8
120.05257	8.1
121.03993	0.6
121.05068	1.0
135.04404	0.8
137.03418	0.5
163.00266	1.2
163.03918	13.7
163.06017	0.6
164.04326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.9
57.03325	1.8
58.00443	0.7
59.01250	14.0
62.98309	0.7
66.03367	0.6
67.99536	0.5
68.08168	0.6
68.99670	0.8
69.19191	1.4
69.19593	6.0
71.01253	17.5
72.99181	10.2
73.02810	3.5
74.15578	0.6
75.00746	100.0
76.01073	1.5
81.03328	1.3
83.01259	1.2
85.02819	3.1
87.00751	70.3
87.04391	0.6
88.01068	1.9
89.02328	6.8
91.01764	1.4
93.03329	3.0
95.04935	0.6
98.19760	1.3
99.00755	7.3
101.02322	6.7
105.01818	51.2
105.45568	0.6
106.02169	1.8
108.04485	0.7
109.02831	3.0
117.01814	2.4
119.03382	1.6
119.04893	0.7
121.02851	7.4
121.06475	1.3
122.03606	2.4
123.04397	1.3
129.01833	10.8
135.02884	1.5
135.04443	0.8
137.02357	3.6
137.05991	3.7
147.02895	8.2
147.04399	0.9
147.06602	0.7
150.03139	3.1
164.83534	3.9
165.01964	5.0
165.03975	62.3
165.05429	6.7
165.07613	2.3
166.02853	0.9
166.04388	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71569	0.4
55.01760	0.7
59.01250	8.6
65.00206	0.7
65.01298	1.4
65.03806	0.8
65.99715	1.6
66.03337	0.5
67.01753	0.9
67.02909	0.4
68.01259	0.5
68.99686	1.5
69.03339	0.6
71.01255	9.1
71.06851	1.2
72.01590	0.6
72.99178	6.6
73.02813	3.2
75.00751	16.5
76.01068	0.5
77.03830	1.7
80.04939	0.7
81.03336	1.5
82.04000	0.5
83.01254	1.2
85.02815	1.3
87.00751	100.0
88.01087	2.4
89.02319	3.1
91.01785	3.3
93.03337	6.9
95.01259	1.3
95.02374	0.5
95.04893	0.7
97.03959	0.9
99.00108	0.5
99.00760	9.1
101.02329	4.0
103.03922	0.6
105.01818	74.4
106.02156	2.4
108.02045	2.0
109.02847	6.6
117.01833	3.0
118.03838	0.5
119.03407	1.0
119.04909	3.3
120.05266	0.8
121.02846	20.1
121.05615	0.8
121.06489	2.0
122.03678	5.3
122.06012	0.7
123.00773	1.3
123.01903	0.7
123.03095	0.6
123.04400	1.9
123.05410	0.6
124.03950	0.7
124.05045	0.6
129.01849	0.8
135.01997	0.6
135.02916	1.8
135.04500	0.8
136.01579	0.7
137.02348	13.1
137.05994	7.5
138.03075	4.1
138.06386	0.8
139.03925	1.1
147.02905	7.8
147.04405	2.8
149.00877	1.6
150.03131	5.2
151.00240	1.7
165.01907	9.9
165.03989	42.9
165.05466	8.1
165.07674	1.1
165.09085	1.3
166.02515	1.8
166.04118	0.9
166.04991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.055
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
52.57047	0.3
58.29725	0.3
59.01260	1.0
65.01334	0.6
65.99742	0.5
66.00885	0.3
68.01306	0.3
71.01261	0.7
72.99183	36.9
73.99506	0.7
75.00734	0.4
77.03870	0.4
87.00739	0.6
91.01791	0.6
91.05417	1.4
93.03342	1.4
95.02373	0.4
97.03932	0.8
97.13195	0.4
101.03862	1.9
103.05429	1.0
108.02014	0.4
109.02861	1.2
117.03381	0.7
119.04921	38.6
120.05214	2.4
121.02858	4.6
121.06496	1.0
122.03581	1.3
123.04436	0.5
137.02336	1.8
137.05945	0.9
147.04427	100.0
148.04785	8.5
149.00902	0.5
150.03136	1.4
151.00304	0.6
165.01825	1.6
165.05486	25.9
165.09146	1.0
166.02646	0.5
166.05994	1.9
176.10158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	100.0
59.01250	0.3
59.03192	1.9
69.03336	0.9
70.02862	0.8
70.80573	0.7
81.03334	0.3
83.04895	0.4
97.02849	1.0
107.04952	0.3
109.02356	0.4
122.89371	0.4
123.04436	0.4
124.01594	0.3
125.02338	14.0
125.05981	0.7
125.09686	0.5
132.34258	0.3
151.00290	0.4
151.11235	0.5
153.01456	1.2
168.03929	0.4
168.13831	6.0
169.01346	4.5
169.04994	1.0
169.14264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01823	0.8
55.87848	0.8
57.03326	8.0
59.01254	1.3
63.02253	3.5
65.00197	11.6
66.03354	2.1
69.03312	1.6
69.70361	3.4
69.70771	1.9
71.01221	1.1
73.88515	0.8
81.03327	6.6
81.45576	0.8
83.01260	38.3
84.00768	1.1
84.01579	1.4
85.02814	1.0
97.02797	2.1
97.06451	1.2
102.71617	0.8
107.01270	16.1
107.04910	1.1
109.02881	1.0
110.02364	2.1
115.02922	1.3
123.00742	1.3
123.04423	0.8
125.02343	32.8
125.03259	2.0
125.06036	0.9
125.09608	2.4
126.02715	1.6
141.01996	1.0
142.03996	3.6
151.00278	100.0
152.00623	6.2
153.99040	1.0
169.01340	68.3
169.05011	4.8
169.06212	1.2
169.08612	1.5
170.01730	4.8
170.04520	1.0
170.97638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0135
Annotation	Gallic acid
Peak:m/z	Relative Intensity
59.88429	1.2
59.88742	1.2
62.53952	1.0
68.99684	2.2
69.03332	7.1
70.63605	1.8
81.03341	1.6
83.01260	1.3
95.01266	1.6
96.99182	1.3
97.02822	5.0
100.13606	1.3
107.01215	1.4
116.28921	1.1
116.54790	0.9
121.58883	1.1
124.01573	1.1
125.02339	100.0
126.02663	6.0
132.86711	3.2
134.86429	9.0
153.11728	1.1
154.84671	1.3
166.54823	1.2
168.99008	1.8
169.01334	29.9
170.01698	2.0
173.30504	1.0
179.57861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	2.3
55.01757	18.6
57.03319	44.3
65.00191	10.3
67.01743	4.4
68.99682	27.2
69.03330	6.8
70.27463	10.7
71.01246	16.8
81.03308	4.7
83.01256	13.8
85.02829	47.8
97.02810	8.4
97.06468	4.8
97.99949	2.9
99.00761	59.1
100.01109	4.6
109.99982	21.4
111.00798	13.7
111.04414	3.2
113.02325	71.5
114.02610	4.4
125.02348	11.1
125.06017	5.0
125.09589	5.6
125.99470	23.3
133.77206	2.5
137.99480	12.7
139.00227	11.1
141.01819	4.2
151.00314	5.3
153.98997	4.3
157.98514	3.0
169.01343	100.0
169.05005	9.1
169.08636	4.3
170.01697	10.1
170.04535	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	173.0084
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
53.00186	1.8
55.01766	6.2
57.03326	3.9
58.00467	1.2
59.01244	7.1
59.14688	0.7
59.17501	0.8
67.01763	8.1
68.99684	2.1
69.03339	0.9
70.79714	1.4
71.01254	100.0
72.01595	2.6
72.99177	6.1
73.02816	9.7
75.00742	0.8
80.99696	1.2
81.03326	1.1
82.48776	0.7
83.01251	11.2
83.04903	2.9
85.02821	3.6
85.06462	0.8
85.56750	0.7
87.00756	5.3
93.03337	35.1
94.03673	1.7
96.99200	2.3
99.00757	32.0
99.04386	1.2
100.01102	1.2
100.98719	0.7
101.02346	1.5
111.00766	8.1
111.04380	6.9
112.98692	32.5
113.98980	1.1
115.00263	6.1
124.98698	25.1
125.99109	0.7
128.07106	1.1
129.01808	1.8
137.02382	1.9
140.98190	1.1
142.99760	53.6
144.00119	2.0
145.01335	0.7
154.99745	2.5
155.03365	1.5
160.22379	0.8
172.82965	2.9
173.00827	9.7
173.04492	11.2
173.08156	1.0
174.01492	2.0
174.04796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0447
Annotation	Shikimate
Peak:m/z	Relative Intensity
53.18567	0.5
55.01729	0.7
57.03328	2.8
58.00463	1.3
59.01252	4.9
60.99167	2.3
65.03822	0.6
66.67922	0.5
67.01759	23.1
68.02091	0.5
69.03326	4.7
70.85769	0.6
70.86088	0.9
71.01253	8.5
72.99173	0.9
73.02808	1.6
81.03336	3.2
83.04896	3.3
85.02825	3.4
90.18037	0.5
93.03334	100.0
94.03663	5.0
95.01241	0.5
99.00755	1.5
99.04393	1.5
108.01984	0.6
109.02831	2.9
111.00751	1.3
111.04407	12.8
111.07986	1.0
113.02324	1.1
137.02319	2.3
155.03418	3.6
173.04465	69.7
174.04782	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	173.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
57.03314	2.2
59.01252	32.3
60.99187	3.5
65.01311	2.2
65.03833	0.6
65.79465	0.5
65.99708	1.3
66.00837	0.5
67.01763	24.5
68.02104	1.2
69.03326	5.2
70.36639	0.5
71.01259	7.4
72.99192	2.5
73.02818	9.4
79.06684	0.5
81.03323	2.4
81.83096	0.5
83.04906	4.5
85.02808	1.7
85.06461	6.9
87.00754	1.0
89.01342	0.7
91.02886	1.0
93.03340	100.0
94.03691	5.9
97.02848	0.5
99.00768	4.3
99.04389	3.0
106.03992	0.9
108.01917	0.5
109.02840	1.5
111.00771	1.4
111.04414	14.9
111.08032	4.3
112.04762	0.9
113.02417	1.0
113.05963	5.6
115.00302	0.9
115.03860	0.6
116.02419	0.6
118.04005	1.2
119.02374	1.9
129.01865	1.0
129.05502	0.6
130.04065	0.8
131.03563	1.7
131.07037	28.5
133.04027	0.6
133.56009	0.6
137.02325	3.5
145.02835	0.7
145.05133	0.6
146.02448	0.8
146.03494	3.0
146.07120	0.8
155.03421	1.8
173.01013	0.6
173.02290	1.2
173.04521	17.4
173.05989	1.3
173.08174	2.4
173.11778	1.2
174.02974	1.0
174.05106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
55.83294	0.4
57.03312	2.7
58.00482	0.4
59.01253	34.5
60.01580	0.9
60.99184	3.4
61.36827	0.4
65.01321	2.9
65.03834	1.0
65.99710	1.6
66.00845	0.7
67.01761	23.4
68.02093	0.7
68.99680	0.5
69.03330	5.4
70.67471	1.3
71.01258	7.3
71.04892	0.6
72.99189	6.4
73.02818	7.4
75.00737	0.6
81.03320	3.2
83.04901	6.3
83.38150	0.5
85.02820	2.7
85.06459	7.2
89.01303	0.6
91.02895	0.8
93.03336	100.0
94.03675	5.4
95.01244	0.7
97.02808	0.5
97.06389	0.4
99.00752	3.0
99.04387	4.6
105.04417	0.5
106.03994	0.8
109.02840	1.9
111.00754	1.3
111.04408	20.6
111.08047	3.3
112.04746	1.1
113.05973	6.0
118.03986	0.8
119.02370	2.6
120.48685	0.5
129.01817	1.4
130.03989	1.4
131.03526	1.2
131.07040	32.0
132.05554	0.9
132.07372	1.6
133.02682	0.5
133.03969	0.5
137.02351	3.0
143.03439	0.8
144.04356	0.6
145.02831	1.6
145.05074	0.8
146.02425	1.0
146.03493	3.5
146.07185	0.5
155.03413	2.3
155.10577	0.6
173.00893	0.5
173.02263	1.3
173.04498	15.8
173.05855	0.6
173.08206	1.2
173.11737	1.3
174.03038	0.7
174.05351	0.9
174.06662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0241
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01757	7.6
55.43000	1.6
57.03327	6.3
57.30921	1.3
58.00459	2.0
59.01250	27.5
67.01759	2.0
68.99691	13.9
69.03311	2.7
69.34543	6.2
69.34966	5.4
69.75312	1.4
71.01254	51.8
72.99187	27.7
73.02817	12.6
75.00745	36.0
83.01254	25.9
84.04414	2.1
85.02821	23.6
87.00752	100.0
88.01105	3.3
89.02312	4.0
95.01286	6.3
96.99197	2.3
99.00764	35.3
101.02328	6.3
103.00242	6.5
111.00772	11.9
112.98695	2.0
113.02323	10.8
115.00262	40.8
115.03868	1.6
116.00567	1.4
117.01823	8.2
124.60582	1.3
124.98695	2.5
127.00266	52.3
128.00578	1.5
128.03432	6.1
129.01817	6.0
139.00288	7.4
145.01314	4.8
157.01334	3.1
174.82797	2.1
175.02437	18.6
175.03847	2.4
175.06071	2.9
175.07576	2.0
176.03300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10949	0.3
57.83062	0.3
59.01236	0.6
61.88120	0.2
65.01313	0.3
66.64302	0.3
67.01756	0.3
69.60542	1.3
69.60952	0.5
71.01239	0.5
75.00731	0.3
77.03833	0.8
77.37144	0.3
78.76207	0.3
79.01724	0.3
81.03320	2.2
89.03838	9.9
90.04176	0.6
93.03315	1.9
95.04909	1.1
99.23543	0.3
105.03343	16.1
106.03704	0.9
107.01257	0.5
109.02821	0.8
121.02841	1.8
123.04369	0.3
133.02850	31.3
133.06461	0.6
134.03183	1.8
135.04372	0.4
139.03922	0.7
148.05235	0.3
149.02350	5.2
150.02672	0.7
159.26520	0.3
162.03111	2.0
168.60153	0.3
177.01848	100.0
178.02196	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01751	0.4
57.03325	0.4
59.01248	2.9
60.29345	0.2
63.55484	0.2
68.99687	0.2
69.03328	1.0
71.01254	4.4
71.07436	0.3
71.07754	0.3
73.02827	1.5
79.05398	0.3
81.03342	0.3
83.01273	0.8
85.02832	2.9
87.00751	13.8
88.01084	0.3
89.02328	0.8
89.03834	0.6
91.05405	0.9
93.03339	0.7
95.01268	0.4
97.02841	1.6
99.00762	3.7
100.03804	0.2
101.02328	1.5
106.04142	0.6
107.01299	0.4
107.04919	2.6
108.02054	0.4
109.02842	0.4
113.02335	0.6
117.01838	2.2
117.03339	1.4
123.00755	0.2
123.04380	0.2
125.02325	1.7
129.01781	0.4
133.02846	0.2
134.03635	10.1
135.04414	100.0
136.04755	7.0
136.05554	0.2
137.02385	0.3
141.01825	1.2
151.00319	0.2
151.03925	0.3
155.27545	0.2
159.02922	0.6
161.04468	7.3
162.04805	0.3
164.01013	0.4
179.03430	11.9
179.05527	7.3
179.06851	0.4
180.03741	0.8
180.05974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.69240	0.3
59.01232	0.5
111.00812	0.4
112.03871	0.4
117.19393	0.3
121.06471	0.5
124.01577	0.4
124.03953	0.5
139.07553	0.4
152.98283	0.3
155.47798	0.3
156.05612	0.7
157.05115	1.1
168.00543	0.4
183.06581	1.3
183.13837	100.0
184.06105	0.6
184.14182	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.78516	0.2
57.03304	0.4
58.02817	0.3
59.01239	1.0
62.59249	0.3
65.01319	0.5
67.01735	0.2
68.99711	0.4
69.03341	0.4
71.01244	0.4
71.52062	0.2
72.59408	0.2
75.05746	0.3
77.34853	0.2
81.03326	0.3
83.04900	0.4
85.02835	0.4
93.03338	0.3
94.02879	0.5
95.01260	0.4
95.04903	0.3
97.02839	0.3
98.02369	0.3
107.04867	0.3
111.00742	0.8
111.04433	0.5
112.03912	0.9
115.02895	0.5
119.08002	0.2
121.06484	1.1
122.02374	0.4
123.04364	0.4
124.01576	0.6
124.03936	0.8
125.05969	0.3
126.61209	0.2
130.03995	0.3
137.02258	0.3
139.00302	0.4
139.03902	0.3
139.07591	1.2
139.11180	0.5
140.07065	0.6
141.01834	0.3
143.03665	0.3
143.04805	0.4
144.04224	0.3
152.98164	0.8
156.05634	1.4
157.05124	1.2
165.01793	0.4
165.05457	0.4
168.00571	0.9
183.02934	1.2
183.06601	2.5
183.10522	2.1
183.13831	100.0
184.06152	1.1
184.09824	0.2
184.14168	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	185.1176
Annotation	Epomediol
Peak:m/z	Relative Intensity
50.49236	2.0
55.01757	3.2
57.03049	4.4
57.03323	82.8
59.01262	3.3
65.01311	9.5
65.99710	5.7
69.03333	16.0
71.01251	3.7
71.04893	85.7
72.05235	2.9
75.54224	1.9
78.05994	1.9
79.01708	1.7
81.67944	2.0
83.04898	7.0
91.02898	3.5
92.99259	1.9
97.02849	3.1
97.06470	3.9
99.00755	7.7
106.20660	2.3
111.08028	5.7
116.02424	5.3
121.05096	6.2
123.00749	2.9
123.08084	4.2
125.09612	1.9
131.03508	3.0
139.11188	29.3
140.11545	4.3
141.09094	13.6
142.06522	7.5
144.04375	2.8
144.05550	5.1
145.02737	2.3
157.05115	5.8
158.03525	10.1
158.07104	3.0
159.06668	5.8
161.33321	2.3
166.99756	7.1
185.00786	3.3
185.04572	7.3
185.08208	8.5
185.11754	100.0
185.15335	4.1
186.07838	5.1
186.12105	9.3
190.66415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.024
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
55.01756	11.4
57.03305	3.1
59.01244	12.1
65.00191	2.4
67.01759	1.6
68.99681	13.3
69.03333	1.1
70.71540	1.7
70.71854	1.2
71.01253	100.0
72.99168	4.5
73.02801	3.0
75.00748	6.0
83.01254	13.1
85.02828	7.6
87.00744	2.3
88.24734	0.9
89.02316	25.6
96.99190	6.2
97.06454	4.3
97.99966	2.8
98.02348	4.0
99.00759	44.7
99.04386	2.6
100.01090	1.9
100.07551	1.0
101.02297	6.8
102.05476	1.5
103.00239	2.0
106.13082	0.9
107.34584	1.1
111.00752	8.8
114.05463	2.6
116.03385	2.7
117.01817	4.1
123.08044	3.1
124.98683	2.4
125.02325	6.6
125.05961	1.6
125.09602	29.7
125.99459	3.0
126.09940	2.2
127.00267	21.7
128.01093	2.2
128.03386	2.4
129.01840	9.2
130.02588	1.0
142.02591	1.4
142.05045	1.4
142.99736	10.0
143.07024	2.7
143.10660	1.7
144.00182	1.0
144.02849	1.5
144.04448	30.0
144.06422	1.8
145.01318	1.6
154.99811	6.8
157.01299	4.5
158.02119	3.8
159.04430	1.9
169.01352	8.8
170.02039	1.5
187.02377	13.7
187.03934	2.4
187.06027	2.7
187.09685	13.2
187.13293	2.6
188.03287	6.9
188.05550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	9.3
57.03318	3.3
59.01248	27.1
62.14196	1.1
68.99702	2.6
69.64592	2.1
69.65002	3.9
71.01251	100.0
72.01596	3.0
72.99181	2.6
73.02808	3.4
75.00726	1.6
83.01264	4.1
85.02828	6.8
87.00748	2.1
89.02319	32.7
90.02655	1.3
99.00757	10.3
99.04432	1.1
100.01086	1.6
101.02375	1.0
101.05991	1.4
102.05486	1.9
103.00262	1.6
109.41553	1.0
113.93762	1.0
117.01784	2.4
117.03322	1.2
119.04877	3.1
126.09966	1.8
126.21169	1.0
127.00317	2.4
128.35818	1.1
129.01817	8.9
129.05431	6.4
130.84148	1.0
133.02864	1.6
142.02605	2.6
144.04457	18.4
145.01334	2.2
145.02879	1.4
145.04817	1.7
147.06520	8.3
157.01274	1.3
158.02094	3.2
160.03732	1.9
161.02412	6.5
161.03545	1.1
161.05983	2.0
170.01978	2.3
188.03226	9.2
188.10023	1.6
189.01883	5.8
189.03764	1.9
189.05516	3.9
189.07680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0347
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01230	0.4
61.29715	0.2
65.99728	0.2
71.01261	0.9
71.30916	0.2
96.04015	0.2
102.03387	0.3
109.02841	0.2
112.15268	0.2
116.04813	0.2
117.03356	0.3
121.50324	0.2
126.09985	0.2
144.04457	100.0
145.04807	7.6
159.03159	0.7
160.01613	0.2
161.02371	1.2
161.05994	0.3
171.02905	0.3
176.27580	0.2
188.03450	3.9
189.01857	1.2
189.03722	0.2
189.05499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0762
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
53.05317	0.3
57.03327	1.5
59.01245	1.9
70.81890	0.7
71.04910	0.4
73.02846	0.2
75.77571	0.3
83.04912	0.6
85.02837	0.6
90.43043	0.3
97.12061	0.3
99.08035	24.2
100.08350	1.4
101.05978	0.7
109.02860	0.3
127.07539	28.2
128.07899	1.7
129.05469	100.0
130.05797	4.9
143.07005	0.8
145.08607	4.1
161.02344	0.5
171.06543	6.6
172.06804	0.4
189.07605	47.0
190.07957	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	189.0761
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
52.99060	0.4
57.03324	1.3
58.64637	0.5
59.01245	2.2
61.85569	0.4
69.61781	2.5
71.04886	0.8
75.72693	0.4
83.04905	0.5
85.02837	0.7
98.84109	0.4
99.08031	25.9
100.08388	0.9
120.69561	0.5
127.07543	28.6
128.07869	1.5
129.05469	100.0
130.05801	5.4
145.08595	5.6
152.84322	0.5
169.36642	0.5
171.06540	5.9
189.01910	0.9
189.07608	42.2
190.07890	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	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
53.29614	0.2
57.03321	1.0
59.01049	0.2
59.01245	1.6
65.99720	0.2
67.01752	0.6
68.99687	0.2
69.03331	0.3
71.01253	1.1
71.08719	0.2
71.09090	0.3
72.99169	0.3
73.02814	0.5
81.03316	0.3
82.03967	0.2
83.04873	0.3
85.02821	11.4
86.03139	0.4
87.00752	6.9
91.02901	0.2
93.03337	2.9
94.03719	0.3
99.04417	0.5
101.02324	0.5
101.05967	0.4
106.03952	0.2
109.02837	0.7
111.00764	11.8
111.04414	0.9
112.01100	0.4
115.03912	0.3
119.04911	2.1
121.02842	100.0
122.03177	5.9
127.03901	1.2
129.01846	0.7
129.05490	0.3
131.03404	0.4
134.03413	0.2
135.04413	0.3
135.82738	0.2
146.15735	0.2
147.04419	7.3
148.01570	0.5
148.04895	0.5
163.03928	0.8
171.03024	0.3
173.04462	0.6
176.01073	1.5
191.01894	1.2
191.03482	8.0
191.05545	29.6
191.10641	0.5
192.03809	0.9
192.05934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03316	0.6
58.00441	0.2
59.01254	3.5
61.57753	0.1
67.01771	1.1
69.03317	0.8
71.01253	2.5
71.28465	0.3
72.99177	0.4
73.02808	1.2
81.03341	1.3
83.01233	0.2
83.04899	1.3
85.02827	27.9
86.03154	0.8
87.00752	5.6
91.01782	0.4
91.03938	0.1
93.03340	8.6
94.03657	0.3
95.01279	0.3
97.02824	0.3
99.00784	0.2
99.04414	1.1
101.05992	0.3
109.02841	2.5
110.44608	0.1
111.00773	1.6
111.04426	2.4
113.02345	0.4
119.04906	0.2
125.02348	0.3
127.03922	4.6
128.04216	0.3
129.01801	0.2
129.05481	0.3
137.02321	0.6
155.03477	0.2
163.00266	0.6
164.00946	0.2
171.02878	1.3
173.04483	1.7
176.01082	0.2
191.05550	100.0
192.05882	5.7
192.10640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0553
Annotation	quinic acid
Peak:m/z	Relative Intensity
57.03322	5.1
58.00460	0.6
59.01248	4.4
67.01752	3.2
67.05409	4.9
67.18443	0.4
69.03321	2.4
69.48580	0.6
70.79964	0.8
71.01260	3.2
71.04889	1.7
72.99180	19.4
73.02819	1.1
75.00739	1.4
79.08305	0.4
81.03342	1.1
83.04887	1.6
85.02822	41.8
85.06460	10.0
86.03156	1.5
87.00748	30.2
87.04388	5.1
88.01083	0.5
93.03336	7.7
95.19903	0.6
99.00768	0.6
99.04395	5.3
101.05960	98.5
102.06305	3.7
109.02821	1.9
111.00764	44.0
111.04409	4.6
112.01108	2.0
112.98702	1.0
115.03893	39.9
116.04236	2.1
116.05431	0.5
126.19146	0.5
127.03906	4.7
129.01826	2.0
129.05467	22.9
130.05807	1.3
145.04958	4.2
147.06546	1.3
171.02977	1.1
173.00810	0.7
173.04477	1.6
191.02014	3.9
191.05534	100.0
192.05869	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74342	0.2
57.03318	0.6
59.01250	2.5
60.99170	0.2
64.40413	0.2
67.01761	0.7
69.03326	0.5
69.97626	0.4
69.98024	0.2
70.19252	0.2
71.01254	1.9
73.02814	0.6
74.12418	0.2
77.60992	0.2
81.03346	0.7
83.04874	1.0
85.02824	18.6
86.03168	0.4
87.00751	3.6
93.03340	5.9
94.03683	0.3
95.01267	0.3
99.04405	0.6
101.02351	0.2
102.03413	0.2
102.77326	0.2
109.02830	1.5
111.00757	0.6
111.04404	2.4
113.02312	0.2
125.02371	0.2
127.03901	4.3
137.02336	0.3
145.04985	0.2
147.04401	0.2
155.03445	0.4
163.00273	0.5
171.02911	1.2
173.04460	1.9
191.05537	100.0
192.05888	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03314	0.6
57.31532	0.2
59.01249	3.3
67.01746	0.7
69.03311	0.6
70.39182	0.7
70.39537	0.4
71.01249	1.8
71.04819	0.2
72.46491	0.2
73.02811	0.8
76.45397	0.2
81.03333	0.9
83.04907	0.9
85.02821	20.2
86.03194	0.3
87.00751	3.8
91.01765	1.1
92.54693	0.2
93.03333	6.8
94.03674	0.5
95.01247	0.3
97.02794	0.3
99.04393	0.8
109.02847	1.6
111.00800	0.5
111.04408	2.0
113.02277	0.3
119.01287	0.7
127.03067	0.4
127.03901	4.4
137.02368	0.5
155.03343	0.5
163.00285	3.0
164.00999	0.6
165.01804	0.4
171.02966	1.2
173.04459	2.0
176.00999	0.3
191.05534	100.0
192.00330	0.3
192.05861	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	195.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70404	9.9
51.74573	9.6
59.01250	85.4
69.30991	19.8
69.31391	52.5
70.13617	8.3
71.01258	15.4
75.00748	100.0
87.00744	20.1
94.36493	8.1
105.01807	17.0
108.59425	9.1
129.01842	34.4
135.06522	11.7
156.27910	10.7
160.84126	95.9
169.94649	9.1
181.40553	10.3
195.05014	38.9
195.81070	48.0
197.70822	10.6
199.44261	9.5
213.26196	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	195.1384
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
59.01252	5.8
61.89324	0.6
61.98688	1.1
62.75243	0.5
69.31027	5.0
71.01220	0.8
83.01286	0.7
83.04893	1.0
90.64421	0.5
95.01223	0.6
97.02875	0.6
97.63323	0.5
98.20548	1.2
101.02306	0.6
102.54818	0.6
121.02842	1.3
121.06464	0.9
122.03661	0.8
123.00745	0.6
123.04410	1.6
124.01505	0.7
125.02365	0.6
133.79822	0.5
136.05136	1.4
137.02365	1.0
150.03088	2.8
151.03932	1.5
151.07520	1.1
152.67816	0.6
160.84109	7.8
165.01851	1.6
165.05449	2.5
177.12766	3.4
180.04222	3.0
195.02901	1.8
195.06633	4.1
195.13838	100.0
195.81018	2.1
196.06093	1.1
196.14185	10.5
205.14925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01234	0.4
61.98685	0.4
69.03311	0.3
109.06477	4.2
111.08039	4.1
121.02814	0.3
121.06446	0.2
122.03630	0.6
123.00739	0.2
123.04466	0.4
125.09616	1.1
135.11702	0.6
138.06775	0.8
139.07521	0.6
150.03108	0.7
151.07536	0.4
151.11179	0.3
160.84106	1.0
165.01834	0.5
165.05508	0.6
167.14325	7.1
168.14635	0.6
176.78554	0.2
177.05351	0.2
179.10706	5.5
180.04199	0.5
180.11322	0.7
195.13837	100.0
196.14189	10.6
196.15678	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01243	0.7
60.88379	0.5
69.58252	2.7
69.58662	1.1
71.04886	1.2
79.67227	0.5
95.04915	0.5
97.06470	16.5
98.06835	0.9
99.08035	5.0
101.47964	0.5
102.30382	0.5
106.04044	0.6
109.06502	1.3
115.53571	0.5
121.02816	0.5
122.03604	2.4
123.00761	1.7
125.02376	0.6
125.09602	1.3
125.21072	0.5
126.03118	1.2
127.40383	0.6
137.09625	2.0
151.11186	1.4
153.05489	0.6
153.12756	100.0
154.13091	8.2
162.83818	0.7
166.99820	1.3
178.14162	0.5
179.09113	1.1
179.10693	21.6
180.11050	1.9
182.02144	2.5
193.15977	0.6
197.04500	2.0
197.08170	1.2
197.11765	7.6
197.80762	0.8
198.07927	0.6
198.12134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.36350	0.3
56.93729	0.3
59.01242	0.5
69.03320	0.6
71.04885	1.1
71.23369	0.5
71.23700	0.3
83.04912	0.3
95.01289	0.3
95.04884	0.5
97.06467	14.5
98.06800	0.6
99.08028	3.8
109.06497	0.6
111.08064	0.6
122.03654	2.0
123.00785	1.5
125.02290	0.5
125.09636	0.7
126.03094	0.7
137.09645	1.9
151.11203	0.9
153.12756	100.0
154.13098	8.6
157.05185	0.4
160.84143	0.7
162.83849	1.6
166.99762	1.1
179.10696	20.2
180.11096	1.8
182.02130	2.0
195.35202	0.3
197.04520	0.8
197.08153	0.5
197.11757	6.5
197.80701	0.6
198.12099	0.9
202.83391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68880	0.7
57.03314	2.3
59.01243	3.3
65.00204	0.9
65.01328	3.1
65.99726	1.3
66.00829	0.8
68.30863	0.8
69.03323	0.9
69.37730	1.6
69.38129	5.1
71.01248	2.5
71.04900	2.2
71.48341	0.7
72.42796	0.7
72.99183	11.1
73.02827	2.6
81.03326	1.1
83.04896	6.2
85.02812	4.4
89.01319	1.3
90.00874	1.2
91.02901	1.6
95.04922	1.4
97.02850	1.1
97.06461	1.0
104.18986	0.8
111.04437	1.2
113.02327	2.3
116.02410	1.0
119.08553	2.1
127.03912	2.1
130.04024	2.1
131.03571	1.6
135.08040	2.6
137.05977	0.9
137.09624	19.2
138.09937	1.0
139.03897	1.0
145.03958	0.9
155.10687	100.0
156.11038	7.4
157.05103	1.9
158.03488	1.9
158.04651	1.0
171.04530	0.8
172.05084	2.1
173.04631	2.2
180.97676	1.5
181.08652	6.8
191.29051	0.7
199.04218	1.8
199.06081	8.7
199.09698	21.1
199.13315	3.1
199.16985	2.7
200.10011	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28371	0.3
57.03318	0.6
59.01241	0.8
61.33575	0.3
65.01316	1.2
65.99730	0.5
69.03344	0.5
70.43871	0.3
71.01250	1.0
71.04897	0.4
71.53564	0.5
73.02823	3.1
81.03319	0.4
83.04901	0.3
85.02830	1.9
90.00848	0.4
91.02897	0.5
99.04369	0.3
106.04005	0.5
109.06502	0.6
111.08060	0.4
113.02325	0.4
125.05943	0.3
130.04025	0.4
131.03511	0.5
132.05621	0.4
133.05083	0.4
135.08076	2.0
137.09616	9.7
138.09933	0.7
139.03922	0.3
145.03877	0.4
145.71765	0.3
155.10684	100.0
156.11050	7.2
157.05185	0.6
158.03465	0.8
172.05086	0.8
173.04611	0.4
199.04262	0.6
199.06091	3.1
199.07701	0.5
199.09700	5.9
199.13327	0.9
199.16911	0.7
200.10126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99859	0.5
51.89985	0.5
53.49487	0.4
54.24129	0.4
71.29724	0.9
73.02813	3.7
85.02814	1.0
94.04112	0.6
130.03920	0.5
135.08051	1.8
137.09625	8.3
138.09937	0.8
139.03842	0.4
155.10689	100.0
156.11018	9.0
157.05148	0.5
173.04526	0.5
199.06087	1.0
199.09712	5.2
200.09972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.18663	0.4
67.33782	0.4
71.01249	0.5
71.39973	0.5
73.02814	3.2
75.05825	0.4
80.01202	0.3
83.01442	0.3
86.46317	0.3
135.08049	1.0
137.09621	9.2
138.09894	0.7
155.10684	100.0
156.11015	8.4
165.03886	0.4
167.38834	0.4
171.87050	0.4
175.71555	0.4
199.06181	1.0
199.09692	5.0
199.13286	0.5
199.16937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.61802	0.3
53.59757	0.4
55.53119	0.3
57.03311	0.9
58.05496	0.4
59.01252	14.5
60.01568	0.4
62.58258	0.3
64.01786	0.4
65.01327	1.2
65.99729	0.4
67.01765	0.4
71.01255	1.3
71.04903	0.8
73.02826	3.6
81.03360	0.4
83.04922	0.5
85.02848	2.2
87.44433	0.4
91.02893	0.5
95.04903	0.7
97.02822	0.4
99.04373	0.4
105.04520	0.4
106.04009	0.5
109.02771	0.4
111.08057	5.8
113.02309	0.9
116.02415	0.6
127.03893	0.6
127.11173	0.4
127.65208	0.4
130.03998	1.1
135.08051	1.7
137.06018	0.5
137.09624	8.8
138.09973	0.6
139.07556	2.1
155.04988	1.0
155.10689	100.0
156.11028	8.0
157.05099	1.0
157.08614	20.8
158.03490	0.6
158.08932	0.8
172.05066	1.5
172.06366	0.7
173.04633	0.6
173.08305	0.4
199.04309	0.8
199.06100	3.7
199.09703	6.8
199.13327	3.7
199.16956	1.3
208.47520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64823	0.4
55.99350	0.3
57.03322	0.7
57.10262	0.3
59.01250	1.1
64.95768	0.3
65.01319	1.3
69.03327	0.5
71.01252	1.5
71.04882	0.4
71.53182	0.4
71.53580	0.4
72.99192	0.9
73.02819	1.8
83.04887	0.8
85.02831	2.7
87.00754	0.7
91.02930	0.6
95.04897	0.5
97.02850	0.7
99.04387	0.5
105.04446	0.5
106.03989	0.6
109.02832	0.4
111.00802	0.5
111.04398	1.1
113.02319	1.0
125.02383	0.4
125.09620	0.4
127.03886	0.9
130.03995	1.0
135.08032	0.8
137.06001	0.5
137.09628	8.1
139.03922	0.9
146.03442	0.7
155.01630	0.3
155.10687	100.0
156.11035	7.8
157.05069	1.2
158.03473	0.6
171.04390	0.7
172.05063	1.6
173.04611	1.2
180.97797	0.5
181.05014	0.5
181.08615	1.4
194.10339	0.3
199.04219	0.6
199.06085	3.9
199.07697	0.8
199.09683	9.4
199.13292	2.9
199.17029	1.6
200.05789	1.1
200.09944	0.8
217.81313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.097
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03309	2.2
59.01237	1.5
65.01305	0.7
71.01252	1.1
71.04887	1.4
72.99178	1.2
73.02818	3.3
81.03315	0.8
83.04911	0.7
85.02823	4.5
95.04889	0.9
99.04402	0.7
109.02823	0.8
109.06479	1.0
113.02338	1.3
119.08535	0.9
123.04380	0.9
127.03893	1.7
129.46155	0.6
130.03983	1.1
135.08090	2.6
137.09624	8.3
140.80934	0.6
145.05069	0.6
155.10680	100.0
156.11041	7.5
157.05098	1.1
172.05090	1.1
173.04614	1.5
199.06013	5.5
199.07635	0.8
199.09671	8.5
199.13228	2.8
199.16945	1.9
200.03482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1333
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.03319	1.2
58.46383	0.3
59.01252	8.4
65.01311	1.3
65.99702	0.5
67.01743	0.5
68.54591	0.4
68.99704	0.4
69.03336	0.9
70.82185	1.0
71.01250	2.9
71.04900	2.3
72.99204	0.5
73.02829	1.0
74.02328	1.1
78.36873	0.4
81.03316	0.4
83.01237	0.7
83.04893	1.3
85.02831	2.9
89.01328	0.4
92.99681	0.7
97.02824	0.6
99.00762	1.8
99.04396	0.9
99.08040	0.8
106.03976	1.4
109.06527	0.5
110.02356	0.5
111.00778	1.2
111.04375	0.5
113.02334	1.2
115.02858	0.4
116.02438	0.6
121.95171	0.4
125.02329	0.6
127.00263	0.5
127.03918	1.3
127.11181	5.4
129.03459	0.4
130.03976	1.2
131.03575	0.4
134.03531	0.4
135.08017	0.5
137.05968	0.9
137.09634	2.1
139.03853	0.5
139.63457	0.4
142.11786	0.4
153.12764	1.1
155.07098	0.9
155.10689	19.0
156.05569	0.4
156.11038	1.1
157.05103	1.3
158.03506	0.9
162.83804	0.7
163.11163	0.7
164.83478	1.1
169.12262	7.0
170.12584	0.4
171.04642	0.4
172.05075	1.4
172.06314	0.6
173.04636	0.9
181.05016	0.8
181.12265	22.4
182.12608	2.4
193.93593	0.4
197.11772	1.9
199.06087	6.6
199.09941	2.9
199.13333	100.0
199.80289	0.4
200.05663	0.6
200.09486	0.4
200.13696	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	199.1333
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03318	1.7
59.01242	1.7
61.98702	1.1
65.01322	2.6
66.48605	0.5
67.01764	0.5
68.99680	0.8
69.03333	0.8
71.01257	2.5
71.04890	2.9
71.53446	0.6
73.02827	1.6
81.03320	0.6
83.01231	1.4
83.04904	1.3
84.60615	0.5
85.02828	6.0
87.00744	0.5
89.01331	0.6
91.02920	0.7
92.99701	0.6
95.01219	0.5
95.04903	0.8
97.02839	0.9
99.00753	1.8
99.04386	1.2
99.08024	1.7
103.41253	0.6
106.03989	1.3
109.02850	1.0
111.00765	1.3
111.04408	0.8
113.02316	1.7
120.35549	0.5
125.02343	0.6
125.09592	2.2
127.03917	1.5
127.11183	4.2
130.04025	1.6
131.03531	1.1
137.05992	0.6
137.09599	2.5
139.03896	0.9
145.03998	0.6
153.12737	0.9
155.07068	0.6
155.10683	25.8
155.14226	1.1
156.05606	0.7
156.11060	1.0
157.05104	1.7
158.03529	0.8
162.83806	0.8
163.11208	0.6
164.83531	0.8
172.05028	1.3
173.04631	1.4
181.05003	0.9
181.12184	1.3
197.11774	2.0
199.06090	9.5
199.09637	3.0
199.13326	100.0
199.17065	2.5
200.03418	0.6
200.09685	0.9
200.13686	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	203.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01593	2.2
65.01281	1.0
69.03320	3.5
71.01257	2.7
71.51382	1.1
71.51801	1.7
75.00738	1.6
87.00751	2.4
97.02834	3.7
99.08047	4.1
107.02386	1.4
113.91039	1.1
117.52997	1.1
131.04909	2.1
134.03490	1.3
141.03267	1.2
143.07048	3.9
150.39424	1.2
159.04385	5.4
161.05869	2.1
162.22766	1.2
173.10573	1.2
175.03964	4.4
175.07581	2.8
185.05975	2.0
203.01852	3.9
203.03450	7.0
203.05539	3.1
203.07114	18.9
203.08908	2.1
203.10783	3.4
203.12808	3.1
204.02910	4.2
204.07381	2.5
204.10292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03326	4.4
59.01250	0.9
61.64967	0.3
65.99734	0.4
69.03323	0.3
71.04890	13.9
71.52632	0.4
72.05216	0.5
72.99193	0.5
73.02816	0.3
78.75560	0.3
83.04896	0.5
85.06473	1.5
87.61404	0.2
91.02932	0.4
95.04897	0.8
97.06457	5.3
99.08029	2.9
109.90621	0.3
113.09625	0.7
125.09647	0.3
127.11182	9.9
128.11510	0.7
133.03973	0.3
137.09613	3.9
139.11176	2.4
141.09145	0.6
143.07048	1.5
152.16057	0.3
155.10683	8.7
156.11044	0.5
157.12248	49.0
158.12566	3.9
173.50497	0.3
175.03996	0.4
176.04553	0.4
185.11794	0.8
201.11288	1.2
203.12820	100.0
204.13165	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	205.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	9.1
57.03318	4.2
58.00451	4.1
59.01250	100.0
60.99166	2.9
68.99695	20.9
71.01254	96.9
71.14178	2.9
71.14514	4.7
72.99178	55.6
73.02817	12.2
75.00748	45.0
75.01934	2.4
83.01279	15.7
84.99163	4.5
85.02820	6.4
87.00750	88.1
89.02319	4.8
96.99207	12.5
99.00761	37.6
100.98678	7.6
101.02338	9.0
103.00241	11.3
111.00755	17.1
112.98698	21.8
115.00263	77.9
117.01800	15.5
124.98707	17.7
127.00278	9.0
129.01808	20.3
130.99767	54.2
142.99773	23.7
144.00519	10.1
145.01338	41.8
154.99756	13.6
157.01334	15.8
159.70479	2.1
173.00833	3.1
175.02374	6.5
205.03526	3.2
206.04245	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.9
57.26339	0.7
59.01250	2.0
68.04273	0.6
69.97379	2.4
71.01253	1.9
72.99180	39.6
73.02828	1.9
75.00759	2.5
80.38330	0.6
81.06966	2.4
81.08837	0.6
85.02797	0.9
85.06467	1.5
87.00761	0.8
88.75943	0.8
97.06476	0.8
99.08036	15.1
101.05971	3.1
105.74632	0.6
109.48506	0.7
111.00718	0.6
113.05978	7.4
115.00234	1.1
115.07533	100.0
116.07848	5.0
125.05954	2.7
129.05472	67.4
130.05823	3.0
143.07037	36.1
144.07382	2.5
159.06593	3.9
161.08057	1.3
162.59163	0.6
205.07095	32.6
206.07407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
58.00470	0.5
59.01253	3.2
59.26695	0.3
69.03329	0.3
71.01252	2.1
71.09834	0.7
72.99181	47.7
73.02817	3.4
73.99516	0.8
75.00755	2.3
81.06972	3.8
83.01254	0.4
83.04908	0.8
85.02820	1.1
85.06454	2.3
87.00750	1.3
97.06504	1.5
99.00753	0.5
99.08031	13.4
100.08393	0.4
101.05959	3.6
111.00778	0.4
113.05975	10.8
114.06270	0.6
115.00268	2.2
115.07534	100.0
116.07887	4.9
125.02322	0.8
125.05996	2.1
129.05470	62.7
130.05807	3.6
142.99728	0.4
143.07040	41.2
144.07390	2.4
145.01320	0.6
147.04405	0.3
159.06531	7.3
160.06920	0.4
161.05995	0.6
161.08147	1.5
164.07173	0.3
187.06010	0.3
205.07100	56.7
205.15872	1.4
206.07394	3.8
213.72423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38529	0.4
53.62773	0.4
58.00470	0.5
59.01251	1.8
59.81098	0.4
69.75993	1.8
71.01256	1.0
71.04891	0.8
72.99181	20.8
75.00751	1.4
81.06971	3.3
83.04919	0.5
85.02828	0.8
85.06491	0.8
87.00734	0.6
87.04400	2.0
96.34966	0.4
98.20437	0.6
99.04411	0.6
99.08039	6.8
101.05962	4.3
113.05972	4.0
115.00256	1.1
115.07539	100.0
116.07874	5.8
125.05959	1.3
129.05475	41.3
130.05762	2.2
143.07047	34.0
144.07401	1.7
145.01245	0.5
159.06554	5.7
161.08101	1.4
164.48764	0.5
205.07112	39.3
205.15935	0.9
206.05641	0.4
206.07397	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60059	0.3
59.01241	0.9
60.28905	0.4
65.55500	0.3
71.00489	0.4
71.00817	0.5
71.01253	0.8
72.99179	23.8
73.02819	0.9
73.99496	0.6
74.29868	0.4
75.00748	0.8
81.06969	0.8
85.02828	0.8
85.06479	0.5
91.71805	0.4
99.08044	8.8
101.05938	1.9
105.57301	0.4
113.05981	6.8
115.00282	0.5
115.07537	100.0
116.07867	5.3
125.02303	0.6
125.05962	1.4
127.44727	0.4
129.05467	52.1
130.05829	1.9
131.07033	0.5
143.07042	47.2
144.07356	2.1
149.21164	0.5
157.48573	0.4
159.06546	7.5
160.06926	0.4
161.08124	1.1
187.06073	0.5
202.93245	0.4
205.07109	77.4
206.07478	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	205.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
58.00416	1.1
59.01242	2.2
71.01270	2.0
71.08842	3.1
72.67988	1.2
72.83236	1.2
72.99181	40.5
73.02811	3.5
75.00719	2.0
77.79217	1.1
81.06971	3.6
85.02772	1.4
85.06438	3.0
85.17735	1.2
85.20301	1.1
85.46684	1.3
87.84389	1.3
99.08035	10.9
101.05967	2.0
113.05964	4.5
115.07543	100.0
116.07886	4.9
129.05482	55.2
130.05798	3.3
143.07043	36.6
144.07381	2.3
159.06548	4.8
184.27122	1.1
205.07101	40.4
206.07405	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	205.1593
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02839	0.1
59.01242	0.3
61.98685	0.1
64.82067	0.1
68.99703	0.1
70.26382	0.2
70.26754	0.2
71.01248	0.4
72.99171	0.3
87.00681	0.1
111.00742	0.1
115.07542	0.5
129.05495	0.2
133.02773	0.2
149.09601	0.1
161.02379	0.2
161.05997	0.2
162.89207	0.1
164.07098	0.3
187.03848	0.1
189.12778	1.7
190.02661	0.1
190.13115	0.3
205.05023	0.5
205.15923	100.0
206.16263	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.2
58.00453	1.9
58.46137	1.8
59.01244	22.9
60.01567	3.5
60.99186	2.6
64.83869	1.7
68.99669	7.4
69.66711	9.6
71.01250	13.7
72.01571	3.6
72.99183	28.8
73.02814	2.1
75.00748	12.5
83.01209	2.8
84.99185	6.7
87.00750	34.9
99.00749	8.2
100.98680	6.2
103.00257	9.6
111.00781	2.6
112.98685	16.8
115.00232	7.1
116.00589	6.8
117.01815	5.8
129.01849	11.2
130.99754	100.0
132.00078	6.1
142.99727	5.9
144.00566	24.4
145.01331	59.0
146.01756	2.6
147.02863	3.0
153.05156	1.9
157.00301	2.2
157.01346	21.2
192.04218	3.1
206.04271	37.3
207.04639	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.2
58.00453	1.9
58.46137	1.8
59.01244	22.9
60.01567	3.5
60.99186	2.6
64.83869	1.7
68.99669	7.4
69.66711	9.6
71.01250	13.7
72.01571	3.6
72.99183	28.8
73.02814	2.1
75.00748	12.5
83.01209	2.8
84.99185	6.7
87.00750	34.9
99.00749	8.2
100.98680	6.2
103.00257	9.6
111.00781	2.6
112.98685	16.8
115.00232	7.1
116.00589	6.8
117.01815	5.8
129.01849	11.2
130.99754	100.0
132.00078	6.1
142.99727	5.9
144.00566	24.4
145.01331	59.0
146.01756	2.6
147.02863	3.0
153.05156	1.9
157.00301	2.2
157.01346	21.2
192.04218	3.1
206.04271	37.3
207.04639	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	206.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86547	5.0
58.02862	6.3
59.01250	41.5
66.00160	4.5
68.99678	13.5
69.25527	4.4
69.40621	22.1
69.41045	16.0
70.51961	4.4
71.01248	17.4
72.99181	26.3
75.00756	14.7
87.00755	45.3
92.95847	7.1
96.55585	4.5
99.00768	15.2
100.98666	5.8
101.02329	7.6
103.00238	13.0
110.57578	4.6
112.98693	17.7
116.00555	5.2
117.01830	28.3
129.01823	12.6
130.99759	100.0
142.99803	5.9
144.00565	30.6
145.01337	67.4
146.01653	5.6
157.01353	19.3
164.92834	6.1
206.04251	39.0
207.04878	4.9
211.87543	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	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	51.2
59.01249	10.9
65.89751	0.9
70.02855	12.1
71.01257	2.4
71.99900	0.9
72.00773	5.8
72.99181	1.2
73.02815	2.1
73.69856	1.1
74.63112	0.8
85.02818	1.0
91.05402	4.4
98.20655	1.6
101.02289	1.1
135.04424	3.5
144.07423	1.2
147.04424	41.7
148.04778	2.7
163.03931	1.1
163.07498	1.4
164.07086	100.0
165.07455	6.5
177.01874	3.7
179.03421	1.8
184.88725	0.8
192.00551	1.1
192.04222	4.5
206.08167	37.0
206.16151	1.2
206.99223	1.0
207.02968	3.6
207.06558	3.3
207.08508	4.2
207.10254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58141	0.5
55.61712	0.6
56.83451	0.6
58.02849	38.5
59.01244	1.6
65.01332	0.6
70.02850	15.1
71.39512	1.2
72.00787	6.3
78.94096	0.6
86.58940	0.5
89.57930	0.5
91.05397	8.2
92.05771	0.6
93.03352	1.1
135.04410	2.3
146.87625	0.8
147.04419	38.9
148.04787	2.9
162.09122	1.6
164.07082	100.0
165.07425	7.7
177.01860	1.7
178.99683	0.6
179.03450	0.8
192.04213	1.4
206.08162	36.1
207.02956	1.1
207.06569	1.5
207.08521	3.4
207.10284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01244	0.8
61.98688	0.8
69.03322	0.9
77.84781	0.3
83.04893	0.8
95.01252	0.6
97.02843	0.3
98.20575	0.7
111.08054	0.5
113.02293	0.3
113.58688	0.3
121.02822	0.4
123.04398	0.7
125.02311	0.5
137.02304	0.7
155.10683	0.4
165.12813	0.4
167.07080	0.4
167.10684	1.0
167.14333	1.4
183.13835	14.8
184.14156	1.2
193.12274	3.8
194.12569	0.5
196.03740	0.4
211.06081	1.3
211.13339	100.0
212.11617	0.5
212.13687	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	211.2062
Annotation	TETRADECANAL
Peak:m/z	Relative Intensity
55.01738	0.8
57.03322	0.5
59.01252	0.7
61.98703	3.6
71.01275	0.5
71.44402	0.9
72.99177	0.4
77.63564	0.5
80.02590	0.5
83.04882	1.0
87.59812	0.5
87.83758	0.5
95.01223	0.7
96.55564	0.3
97.06425	0.9
100.37753	0.4
109.06476	2.1
110.18319	0.5
111.08032	1.9
121.02829	0.5
121.31554	0.4
123.00746	0.5
123.04370	0.9
123.07976	0.5
125.02267	0.5
137.02301	1.0
139.04008	0.9
139.07484	0.4
149.06046	0.8
153.05511	0.6
154.06247	5.2
155.06433	0.4
167.07141	0.5
167.08522	0.6
167.10681	0.5
167.14322	6.2
168.14728	0.8
180.99930	0.5
183.13805	1.1
183.17456	2.3
207.17456	1.5
209.19061	8.1
210.19354	1.3
211.03920	0.5
211.06068	2.0
211.07835	0.6
211.13353	19.2
211.20613	100.0
211.94670	0.5
212.13661	1.9
212.20955	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	213.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99472	1.0
69.71212	1.8
73.01044	1.0
83.61959	0.4
85.02832	0.4
91.10999	0.4
110.88425	0.5
111.02610	3.0
113.04182	0.6
122.03645	4.4
123.04539	0.4
125.04191	2.8
126.04991	4.8
137.00581	1.1
137.09602	1.5
138.01353	6.4
142.00833	13.9
143.01190	0.6
151.02266	0.4
152.02916	11.9
153.03264	0.5
168.50218	0.4
169.10472	100.0
170.10809	7.6
171.06622	0.5
173.30740	0.4
179.10687	29.9
180.10994	2.6
183.13828	1.2
187.06329	0.5
195.08417	85.1
195.13797	1.5
196.08746	8.4
213.09477	29.0
213.11125	1.3
213.14883	6.0
213.18349	0.7
214.09843	2.3
214.15141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15625	0.7
58.99470	1.6
59.50212	0.8
71.00909	2.1
71.01241	0.9
73.01036	2.7
111.02630	3.1
122.03642	3.7
125.04189	2.1
126.05008	4.6
137.00548	1.9
137.09654	1.1
137.14407	0.9
138.01367	6.9
141.03400	1.9
142.00829	11.7
152.02933	12.6
161.03401	0.9
169.10487	99.7
170.10835	7.8
179.10706	32.3
180.11052	2.7
183.13846	28.1
183.15083	0.6
184.14180	1.6
187.95030	0.9
195.08437	83.6
195.13844	23.3
196.08749	7.7
196.14195	2.9
211.13354	1.4
213.01826	2.1
213.07487	1.9
213.09503	31.7
213.14934	100.0
214.09862	2.7
214.15257	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	213.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.9
57.03328	2.9
59.01257	0.5
65.01335	0.7
67.05412	0.3
70.85353	0.6
70.85687	0.3
71.04884	0.4
73.02829	0.5
77.88358	0.3
81.03334	0.8
83.04893	0.9
85.02826	0.4
87.04415	0.9
93.03327	0.4
94.04128	1.7
95.04906	0.9
97.06481	0.5
101.58337	0.3
107.08512	0.4
109.06474	2.5
111.04361	0.4
119.08571	0.8
120.05694	1.9
121.06522	0.7
122.25892	0.3
123.04456	0.3
126.03578	0.3
135.08060	22.3
136.08388	1.3
137.09625	100.0
138.09958	7.4
142.00896	0.4
144.05597	0.5
151.07550	1.1
151.11145	0.4
169.02942	0.4
169.08727	0.3
169.09013	0.4
169.10497	3.5
169.12109	0.7
170.10854	0.4
171.06679	0.5
179.10660	1.4
181.08661	2.0
182.09142	0.4
183.13907	2.1
185.05894	0.3
186.06564	0.4
187.06178	0.4
195.08450	2.8
195.13803	1.6
205.88191	0.3
213.01778	0.4
213.05663	0.7
213.07628	0.8
213.09438	0.6
213.11311	5.0
213.14903	9.4
213.18555	1.1
214.05054	0.3
214.07202	0.4
214.11478	0.4
214.15236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1489
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.23495	0.3
59.01244	0.8
65.01308	1.1
65.99703	0.6
69.03336	0.5
71.04899	0.6
71.52163	0.4
72.98701	0.3
72.99160	0.4
83.04897	0.6
91.02866	0.4
93.03394	0.4
97.06457	0.4
106.03984	0.7
118.03995	0.6
119.02377	0.5
121.03793	0.4
126.55181	0.4
132.05617	0.4
137.09628	0.5
143.03554	0.5
144.05553	0.6
145.03970	0.5
145.05098	0.7
146.03441	0.4
151.11214	0.4
157.05083	0.5
159.06668	0.5
160.05098	0.8
165.12692	0.4
169.12199	0.8
171.06685	1.0
172.05031	0.6
172.06274	0.6
177.12758	0.5
183.13831	29.3
184.14171	1.7
186.06647	0.8
187.06151	0.9
195.13846	23.6
196.14285	2.4
213.05626	1.0
213.07735	1.2
213.14906	100.0
214.07324	1.0
214.15240	10.3
221.44258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.90620	0.1
52.94670	0.1
54.05783	0.2
54.45824	0.1
54.68725	0.1
59.01252	0.3
70.02543	0.6
79.86271	0.1
80.78786	0.1
87.94307	0.1
90.87287	0.1
97.06452	0.2
98.20540	0.2
111.08008	0.2
137.09637	0.7
153.97066	0.2
165.12642	0.3
167.14334	0.2
177.12695	0.3
183.13828	29.0
184.14163	2.8
195.13838	24.0
196.14197	2.7
211.13405	0.7
213.14903	100.0
214.15253	10.4
221.47267	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	215.1649
Annotation	7-Hydroxydodecanoate
Peak:m/z	Relative Intensity
59.01246	2.2
61.98688	1.0
65.00172	0.8
71.01242	1.2
71.19441	0.7
73.02820	0.8
83.04887	0.6
89.02299	0.6
93.03341	1.8
99.00779	0.6
109.84978	0.4
111.04427	0.6
115.91911	0.4
122.89318	1.7
125.09623	0.4
127.98505	0.4
137.02322	1.0
144.00822	6.8
145.01163	0.5
146.03511	0.4
153.12759	1.0
155.03395	0.6
169.15866	4.4
171.01921	1.4
172.02373	0.5
186.89671	0.8
187.07616	0.5
197.11804	0.7
197.15514	2.1
213.14879	1.2
215.00943	45.1
215.05475	2.0
215.07175	2.0
215.09335	1.1
215.12962	2.7
215.16476	100.0
215.99396	0.8
216.01271	4.1
216.06760	0.6
216.16838	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	217.1077
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
51.54893	0.5
52.40629	0.6
57.57666	0.5
59.01237	2.2
71.01260	0.8
71.52550	0.9
72.99174	0.9
73.02820	1.6
81.02589	0.6
85.13292	0.6
87.04382	0.8
89.23245	0.5
90.10903	0.5
92.61720	0.5
106.04032	0.8
107.73737	0.5
119.02416	0.7
125.09619	2.0
127.11172	1.9
129.09044	0.6
137.09613	1.8
141.07552	0.6
148.05083	0.5
153.09109	1.6
155.10684	39.6
156.11012	3.2
158.30605	0.6
171.10178	52.2
172.10506	4.2
173.04555	0.8
173.06013	1.2
199.09674	7.1
200.10086	0.7
215.09279	0.8
217.04990	1.7
217.10757	100.0
217.14310	3.6
218.11102	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	219.087
Annotation	Isoharringtonic acid
Peak:m/z	Relative Intensity
56.95704	1.0
59.01258	4.9
69.83548	2.2
69.83955	3.1
71.01276	1.6
72.99181	39.8
73.02808	1.5
75.00740	4.1
83.29902	1.1
95.08519	5.0
97.06527	1.2
98.19834	0.9
99.08012	4.7
107.07112	1.0
113.09616	15.7
115.07538	3.6
118.40736	1.0
127.07537	12.8
129.09111	100.0
129.44579	1.0
130.09456	4.8
139.07533	2.5
143.07045	54.7
144.07372	3.8
144.45819	1.1
147.04436	2.7
149.05971	1.4
157.08607	28.5
158.08961	1.8
173.08125	8.3
175.03918	2.4
175.09685	1.7
176.01059	1.3
176.03403	1.5
187.52161	1.0
191.03349	1.1
191.07076	1.3
205.12312	3.5
219.02913	1.5
219.06631	3.6
219.08664	44.7
219.17503	52.5
220.02525	2.9
220.06046	2.4
220.09053	4.1
220.14653	13.4
220.17824	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	221.0815
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.30366	1.5
57.03334	1.8
59.01250	61.1
60.01591	1.8
61.98692	1.6
67.27375	1.4
67.27847	1.4
69.03328	44.2
69.64992	11.7
70.03670	1.8
71.01251	5.6
71.04895	100.0
72.05196	2.1
73.02850	2.1
75.02270	2.5
81.86245	1.5
85.02821	4.7
89.02314	2.0
93.03334	2.8
101.02316	4.6
107.04890	4.2
108.05207	1.5
113.02312	5.2
121.02839	47.5
122.03149	2.1
131.03358	2.3
134.03627	21.1
135.04419	3.4
147.00774	6.1
147.08023	3.3
149.09674	10.8
151.03952	2.1
161.04510	2.8
165.01868	3.0
175.07579	2.0
177.09125	17.7
190.99779	6.5
193.08580	3.7
206.02156	2.4
206.09570	2.2
221.04517	4.4
221.06531	2.5
221.08232	30.3
221.11786	7.6
221.15247	3.2
222.08382	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	223.028
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
57.03306	0.2
59.01247	0.8
59.96609	0.8
61.98700	1.6
71.01243	0.5
71.22968	0.3
72.17455	0.2
73.02795	0.2
74.98946	15.5
75.96094	1.1
75.98900	0.5
75.99316	0.2
76.14759	0.2
85.02802	0.4
88.20089	0.2
89.02312	0.3
93.00014	8.3
94.00014	0.2
98.19619	0.2
101.02322	0.4
105.25616	0.2
149.00864	12.2
150.00798	0.8
150.98793	0.6
151.04010	0.2
160.30785	0.2
161.04410	0.2
165.05481	0.1
166.06235	0.3
176.83633	0.2
193.01328	0.3
206.99643	5.4
207.99719	0.5
208.03688	0.4
223.02783	100.0
224.02831	13.8
225.00726	0.4
241.03891	2.1
242.04057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	7.0
57.03321	19.1
59.01250	11.9
60.40308	1.1
67.01754	1.4
68.99683	2.7
69.83167	1.1
71.01256	15.7
71.51202	1.0
71.51646	2.1
72.99178	5.3
73.02819	2.7
75.00739	6.2
78.70020	1.0
83.01256	11.5
84.02038	2.3
85.02823	100.0
86.03177	2.3
87.00746	3.5
88.01559	1.4
99.00736	1.3
101.02316	13.4
102.02635	1.2
103.00268	1.9
103.03954	1.2
111.00762	44.4
112.01127	2.0
121.02888	2.1
129.01831	24.8
135.04399	1.4
139.91687	1.1
143.03337	1.2
147.02899	4.6
147.13100	1.0
149.02319	3.2
151.03922	1.6
156.41121	1.0
161.04454	2.9
164.04707	1.5
173.93161	1.1
179.05493	1.2
187.02376	2.3
193.01352	2.8
205.03465	36.0
206.03802	1.6
208.03708	3.9
223.02753	1.9
223.04494	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.1
57.03320	16.3
59.01255	9.6
68.99681	2.0
69.58810	2.1
69.59219	5.1
71.01250	14.2
72.99166	5.6
73.02813	3.5
75.00758	6.8
81.98714	0.9
83.01261	11.5
84.02046	3.4
85.02823	100.0
86.03130	2.6
87.00758	5.8
99.00748	1.7
101.02315	14.4
103.00244	1.7
103.03873	2.1
106.56071	1.0
109.02791	1.1
111.00764	45.9
112.01070	1.2
125.02328	1.7
129.00891	1.8
129.01833	33.9
141.82115	0.9
143.03401	1.9
147.02885	8.2
149.02328	1.2
159.02802	1.2
161.04436	4.4
164.04654	1.4
166.02672	0.9
167.06555	0.9
179.10706	1.3
183.74025	0.9
187.02382	3.0
193.01328	3.1
205.03467	44.0
206.03882	1.7
208.03700	4.1
223.02756	2.7
223.04521	36.2
223.13249	2.3
224.05025	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	223.1335
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
54.21485	0.9
57.03324	1.9
59.01254	5.1
61.98687	1.5
69.03331	9.6
69.20622	1.0
71.01256	1.1
71.04882	1.5
71.37943	2.0
83.04868	1.3
83.37070	0.7
85.06474	2.0
95.04913	1.2
97.06511	0.9
100.55665	0.9
109.06474	1.8
125.09631	1.9
149.09608	1.8
161.13289	1.5
166.64882	0.8
167.10684	10.4
177.12769	1.7
179.10712	3.8
179.14316	11.3
180.14725	0.8
195.13832	29.6
196.14180	3.2
205.12285	20.4
206.12630	2.0
223.02721	2.1
223.13358	100.0
224.13713	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	223.1336
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.45714	0.7
57.03315	1.4
59.01252	10.2
61.98700	7.1
62.21933	0.6
66.75911	0.6
69.03332	7.7
70.15827	2.5
71.01248	2.9
71.04885	2.8
73.02821	1.5
74.98952	1.4
83.04905	1.1
85.02850	1.4
85.06455	0.9
93.00017	1.1
93.03323	0.8
95.01313	0.7
95.04899	0.9
97.06443	1.0
101.02316	2.9
109.06471	2.1
116.99678	0.8
121.06466	0.6
123.04433	0.8
125.09638	1.2
137.02367	0.9
141.09135	1.1
141.86737	0.6
149.00827	0.7
149.09633	1.8
151.03908	2.3
161.13388	0.8
165.01822	0.6
166.06264	4.2
167.10718	8.5
168.11060	0.8
177.12776	1.6
179.07004	0.7
179.10707	3.9
179.14340	10.4
180.14708	1.0
184.57784	0.6
193.01360	1.4
195.13847	28.8
196.14198	3.6
205.12283	20.0
206.12634	1.8
206.99580	1.0
208.03748	1.3
222.95111	0.9
223.02771	10.1
223.06100	1.6
223.13354	100.0
224.02861	1.5
224.13675	10.7
241.13899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0553
Annotation	Dithranol
Peak:m/z	Relative Intensity
52.40509	0.4
53.71535	0.3
59.01260	0.6
61.98703	11.9
63.85286	0.3
65.00161	0.5
69.03278	0.3
71.52560	0.4
73.02824	0.4
78.71611	0.3
82.38833	0.3
93.03324	1.4
95.69761	0.3
107.05003	0.3
109.02811	0.5
133.29663	0.3
137.02309	1.0
143.04906	0.5
151.03885	0.5
153.09102	0.4
155.04912	0.6
163.11162	0.8
165.01894	0.7
166.85001	0.4
167.03441	0.4
167.04950	0.4
168.05745	0.4
169.06499	4.7
170.06804	0.6
178.83360	0.5
179.04967	0.6
180.05644	0.4
181.08690	0.4
181.12263	0.6
182.03644	0.8
195.02879	0.7
195.04451	2.8
195.06158	0.5
196.05232	8.9
197.06010	100.0
198.06349	10.1
198.08131	0.7
206.99229	0.4
207.10280	0.9
210.05296	0.8
225.00623	0.8
225.05531	41.0
225.11244	2.4
225.92638	4.2
226.05843	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1127
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
56.08726	1.6
57.03315	1.8
59.01244	3.9
61.98687	2.8
65.01283	1.4
71.53723	2.3
73.02827	18.0
93.03319	3.0
95.04895	5.3
109.06444	1.5
120.76823	1.4
123.04439	2.1
124.77064	1.5
137.02318	3.6
145.04184	1.9
163.11226	16.4
165.01935	1.6
171.06657	2.0
172.05046	1.6
180.04211	2.0
181.12263	100.0
182.12582	7.1
195.02901	3.0
195.06570	1.6
198.07957	1.7
207.10210	6.9
210.03317	2.7
210.05168	3.0
220.90886	1.8
225.05476	3.8
225.07668	5.0
225.11266	78.7
225.14882	4.6
225.18472	2.0
226.11563	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	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01247	1.7
60.25297	0.4
65.28320	0.4
69.58678	2.3
71.01225	0.4
71.04878	0.7
81.03317	0.5
83.04903	0.9
93.03317	0.7
95.04939	0.4
97.02826	11.4
97.06467	0.9
98.03169	0.6
98.19756	0.5
99.00760	3.9
106.04115	0.7
109.02839	0.5
109.06464	2.9
110.03611	5.2
111.04408	0.8
111.16927	0.4
113.10305	0.4
123.04391	1.2
125.09585	1.2
135.08058	2.4
136.05167	2.1
137.02408	0.4
137.05977	0.4
142.02600	7.0
145.10165	0.6
149.80809	0.4
153.12823	0.9
161.09604	1.0
163.11191	14.0
164.11499	0.9
165.01822	1.2
167.04877	0.5
171.06656	0.6
179.10735	1.1
181.06528	0.8
181.12260	32.6
182.12640	3.3
183.06674	0.4
189.09126	0.6
197.11772	1.4
199.06026	0.5
207.10201	77.6
208.10562	6.8
210.03169	0.6
225.05452	1.9
225.11267	100.0
226.11595	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	225.1493
Annotation	Blumenol B
Peak:m/z	Relative Intensity
51.97804	0.7
54.44908	0.7
57.03336	0.7
57.45518	0.7
57.46626	0.6
59.01252	9.4
61.98706	5.6
64.71562	0.7
65.00201	1.0
70.85837	1.9
71.01259	1.0
83.04900	2.6
93.03325	2.1
97.02846	1.0
98.69651	0.7
103.45224	0.7
109.02814	0.7
125.05978	1.1
135.11702	1.0
137.02327	2.3
153.01837	0.8
153.09138	1.0
163.11201	1.9
163.14851	4.2
165.01862	1.1
181.12227	2.2
181.15884	1.1
189.12769	1.0
195.02812	1.2
195.12025	1.5
195.13840	25.8
196.14165	2.7
197.15385	2.8
198.07870	0.7
199.06200	0.9
201.53099	0.7
207.13844	71.1
208.14211	7.5
210.05261	0.9
224.90352	0.8
225.00215	0.9
225.11301	4.9
225.14908	100.0
225.92618	1.2
226.15233	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	227.0704
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
51.94159	0.2
54.30846	0.2
61.98685	0.2
71.00020	0.2
71.00350	0.3
93.03333	3.2
95.01292	0.3
108.02044	1.0
109.02821	1.6
121.02881	0.7
129.93192	0.2
131.25060	0.2
135.04398	0.4
141.07031	0.3
143.04929	1.7
153.19069	0.2
155.08414	0.2
156.05696	0.6
157.06538	1.7
158.07193	0.4
159.08081	2.4
160.05180	0.2
165.06952	0.3
165.12727	0.6
167.04939	0.6
168.05771	1.7
171.04347	0.3
171.08118	0.5
179.32477	0.2
180.05710	1.1
181.06517	7.6
182.07286	3.1
183.08078	32.2
183.13748	2.0
184.05145	0.3
184.08421	2.8
185.06003	9.8
186.06364	0.9
197.06024	0.4
198.06741	0.3
199.07556	1.2
204.19154	0.2
208.05232	0.3
209.05988	1.2
209.11775	0.7
211.04253	0.2
212.04788	0.5
212.06772	0.3
213.05669	0.3
225.05597	0.4
226.06348	0.5
227.07092	100.0
227.20107	1.0
228.07472	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	227.0922
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
65.99776	0.5
70.27525	0.9
70.27924	0.8
71.01247	0.7
72.99180	100.0
73.99526	1.3
75.00745	2.9
80.55850	0.4
102.89533	0.4
109.02839	0.7
122.03673	0.5
125.05963	0.7
137.05968	0.7
138.06773	1.5
139.07555	3.7
149.17378	0.4
151.07594	3.5
152.08325	3.9
153.09018	1.3
165.09106	5.1
165.12773	0.5
183.13849	1.7
199.07626	0.5
209.06206	0.6
209.08148	2.4
209.11705	0.6
227.07124	2.3
227.09198	33.7
227.12851	1.7
227.16441	1.1
227.20113	1.7
228.09500	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	227.1285
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
54.48439	0.4
57.03315	1.4
59.01248	0.9
65.99725	0.4
69.03307	0.5
70.43791	1.1
71.04887	1.0
77.53050	0.3
80.02581	0.6
81.03315	0.4
83.04913	1.9
95.04910	0.8
97.06482	2.3
109.06481	0.7
111.08035	4.9
118.39521	0.3
139.03226	0.4
147.89053	0.4
153.09067	0.4
163.11182	1.5
165.12764	31.1
166.13123	2.9
167.10738	0.4
181.12230	0.6
183.13831	33.4
184.14171	3.2
201.07611	0.4
209.11774	19.5
210.12059	1.8
227.12842	100.0
227.20140	1.5
228.08821	0.5
228.13214	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.94986	0.2
55.67933	0.2
57.03315	0.5
70.96146	0.4
70.96463	0.2
79.64090	0.2
83.22208	0.2
89.65952	0.2
111.08024	1.0
153.16809	0.2
165.12764	18.5
166.13121	1.3
183.13829	100.0
184.14163	9.7
191.10780	0.3
209.11763	1.5
220.84261	0.2
227.07108	0.4
227.12845	14.4
228.13148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.01234	0.8
69.09149	0.4
69.23370	2.9
69.23772	0.6
71.01212	0.4
71.04877	0.7
80.02545	2.0
81.03320	1.8
83.01278	0.6
83.04893	6.8
84.02038	3.8
84.05255	0.4
93.03372	0.3
95.04909	1.5
107.04903	0.3
108.02065	0.5
111.08043	0.6
125.05965	1.0
125.09566	0.5
127.11233	0.4
135.08032	0.9
136.01427	0.4
148.27631	0.3
153.12726	0.4
159.07956	0.4
163.11208	5.7
164.11563	0.4
165.12766	4.4
166.13083	0.5
181.12265	0.8
183.08081	1.1
183.13828	1.2
185.06017	0.9
191.10738	2.1
199.13319	0.9
209.11766	100.0
210.12111	8.7
227.03442	0.7
227.07097	10.0
227.09354	0.7
227.12845	4.0
227.16365	0.5
227.20190	1.1
228.07278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0866
Annotation	Diorcinol
Peak:m/z	Relative Intensity
51.31924	0.2
57.03321	1.2
59.01236	0.4
60.10123	0.2
61.07302	0.2
61.98703	0.2
65.00196	0.2
65.01295	0.3
65.03854	0.2
68.01311	0.2
77.82683	0.2
81.03327	1.9
83.01266	0.6
85.36340	0.2
87.02609	0.9
93.03334	1.3
95.01259	0.5
106.04077	0.5
107.04893	0.3
108.02052	1.9
109.02873	0.5
117.06966	0.3
118.91717	0.2
119.04925	1.6
121.02850	5.1
122.03625	30.5
123.00803	0.5
123.03907	1.8
125.02357	1.4
130.04089	1.4
136.01553	0.5
137.02332	1.9
138.02635	0.2
143.04942	2.5
143.08551	1.1
144.05658	0.3
145.06482	4.3
146.03554	0.3
147.04456	0.7
153.01848	0.5
154.02676	1.3
157.06480	1.0
159.08064	3.9
160.00954	0.2
160.05119	0.3
160.08412	0.4
169.06471	1.8
170.07236	1.2
171.04431	2.1
172.05222	3.0
173.05806	0.3
183.08073	0.6
185.06071	1.1
185.09636	6.3
186.06667	0.2
186.10033	0.6
187.07570	19.9
188.07860	1.8
205.08685	0.5
208.26411	0.2
211.07515	0.4
211.13361	0.8
215.50121	0.2
229.08661	100.0
229.14302	3.1
230.08987	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03323	1.2
59.01260	0.4
62.36605	0.3
66.52456	0.3
66.78928	0.3
69.63171	0.3
71.33446	0.5
83.04902	0.7
84.02031	0.3
85.02831	1.1
87.69135	0.3
87.69749	0.3
97.06445	0.4
125.09598	2.3
127.11179	4.5
139.30383	0.3
155.14313	1.1
165.12755	0.8
167.14325	2.8
171.10204	4.8
183.13870	2.0
193.12245	1.5
209.11781	3.7
211.13336	11.8
212.13728	0.7
229.14401	100.0
230.14738	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.5
59.01252	1.1
69.03358	0.7
69.90517	0.8
69.90924	1.6
71.04879	0.7
79.13512	0.4
83.04884	0.7
84.02039	0.5
97.06488	0.5
98.19741	0.6
106.04019	0.7
125.09598	2.7
127.11172	4.9
139.11224	0.4
153.09062	0.5
153.12775	1.0
155.10669	4.7
155.14313	1.5
163.11179	0.6
167.14316	1.9
171.10168	3.2
181.12260	2.8
183.10159	1.0
183.13811	1.4
193.12234	1.8
199.13324	7.6
201.11276	1.9
202.26021	0.4
209.11792	3.0
211.13329	12.4
212.13754	1.0
229.08597	1.7
229.14409	100.0
229.94130	0.5
230.14713	9.2
235.30737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03326	1.6
57.03556	0.3
65.61845	0.2
69.32967	0.5
69.33385	2.0
71.04901	0.5
83.04884	0.7
84.02025	0.6
85.02811	0.6
97.06470	0.4
98.20594	0.5
125.09604	2.1
127.11172	4.2
128.11482	0.3
130.91249	0.2
140.60764	0.3
149.31267	0.3
155.14365	1.9
165.12790	0.9
167.14368	1.3
167.15659	0.3
171.10188	5.3
183.13879	1.1
201.15031	0.3
209.11783	3.3
211.13347	6.7
212.13672	0.6
229.14409	100.0
230.14745	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03320	1.3
59.01239	0.5
65.01334	0.3
65.55296	0.2
65.99677	0.2
67.60622	0.2
69.57094	1.5
71.01230	0.2
71.04889	0.9
71.15611	0.2
83.04892	0.5
84.02051	0.6
85.02818	0.7
97.06453	0.6
98.20533	0.4
125.09615	4.0
127.11178	4.8
128.11530	0.3
132.05627	0.2
155.14307	2.2
165.12776	1.0
167.14307	2.0
168.14731	0.3
171.10182	0.7
183.13852	0.6
185.15323	0.4
209.11716	1.6
210.12059	0.2
211.13335	3.5
229.14409	100.0
230.14743	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	231.16
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03307	1.6
59.01255	0.3
65.01308	0.5
76.92835	0.4
87.04371	0.6
91.02870	0.3
93.03345	0.3
98.20579	1.3
102.91679	0.3
119.05052	0.4
127.11196	2.6
155.14215	0.5
167.14282	0.4
171.10178	5.0
183.13860	0.5
185.15353	0.5
187.07545	0.6
195.13786	0.7
201.09160	0.6
211.13535	0.4
213.14931	5.2
214.15318	0.4
229.14395	3.3
230.34964	0.4
231.06654	0.9
231.15976	100.0
232.14014	0.5
232.16304	8.9
237.02893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22789	1.2
53.64104	1.0
53.70996	1.0
54.33767	1.0
57.03321	2.6
59.00954	2.3
59.01250	45.1
64.46062	1.1
67.01741	1.4
71.01250	8.9
71.21783	2.9
73.02830	1.8
83.01259	3.1
85.02833	3.6
87.00751	1.2
93.03337	7.4
99.00772	2.4
101.02248	1.4
111.00749	5.4
111.04462	1.4
129.01852	7.9
161.06198	1.7
173.04417	9.9
173.08109	2.2
189.05493	1.7
199.87859	1.1
215.63586	1.3
233.04601	2.2
233.06522	2.6
233.15424	100.0
234.15788	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.3
59.96599	0.5
60.97376	0.5
66.21172	0.2
69.28140	0.2
71.23682	0.5
71.76102	0.2
74.98944	7.6
74.99355	0.5
75.47726	0.2
75.98928	0.3
78.38013	0.2
91.02112	1.0
93.00005	3.3
93.03336	0.9
118.96174	1.0
134.99301	7.5
135.99214	0.4
136.97229	2.5
137.97227	0.2
141.07338	0.5
143.05238	0.4
149.00874	72.4
150.00824	4.8
150.98825	1.2
152.96811	0.3
159.08365	1.8
161.06317	4.2
163.26039	0.2
167.01924	0.5
173.04495	0.4
178.08002	0.3
183.26845	0.3
201.03970	0.4
215.05644	1.2
217.07172	100.0
218.07312	10.6
233.10312	97.5
234.10461	13.2
234.15771	0.8
235.08272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10970	0.2
59.01244	0.8
61.98698	0.6
62.61567	0.3
71.01254	0.5
85.02805	0.2
85.97023	0.2
98.65406	0.2
101.02316	0.3
114.66589	0.2
134.03639	0.7
135.04387	0.7
136.05200	1.0
148.05200	11.4
149.05737	0.9
149.09644	1.4
151.14604	0.2
159.08090	0.2
162.06766	0.8
175.07599	0.4
176.08345	1.0
177.09131	49.4
178.09502	4.2
182.82751	0.3
190.09932	1.9
191.10590	1.1
192.11490	34.8
193.11902	3.5
201.09181	0.6
203.07088	0.9
206.09418	0.2
217.08673	3.9
218.09441	9.3
219.09831	0.8
229.22125	0.2
236.10512	100.0
237.10889	10.3
237.14700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72773	0.3
59.01252	11.9
59.96595	0.5
67.25703	0.3
69.03300	0.3
70.52100	1.0
71.01237	0.3
73.72722	0.3
74.98520	0.6
74.98948	11.6
75.96104	0.3
87.00752	1.6
90.89359	0.3
91.02086	10.8
93.00016	5.5
99.00771	0.8
125.02291	0.6
149.00850	5.2
161.04436	1.3
179.05531	8.3
183.40642	0.3
195.13956	0.4
206.99632	2.8
217.61270	0.4
223.02792	100.0
224.02838	12.7
239.05721	0.5
241.03880	1.7
242.03857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02257	0.3
59.01245	1.1
61.98690	0.6
70.42968	0.2
71.38883	0.4
73.02837	0.3
116.45269	0.2
122.10467	0.2
133.54877	0.3
169.06479	1.6
174.32278	0.3
179.05231	0.6
180.05865	0.9
195.04419	0.8
196.05231	3.6
197.06012	100.0
198.06351	8.4
205.19675	0.2
225.05522	94.5
226.05865	9.7
240.07889	57.6
241.08249	6.6
241.14516	0.3
241.18056	0.3
241.21689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.0
59.49403	1.3
60.63629	1.2
61.98712	1.7
63.25290	1.2
64.96754	1.1
66.09493	1.1
67.01736	2.3
69.03327	34.8
71.01263	1.9
79.01769	2.6
79.73248	1.2
81.03337	3.0
82.02864	1.9
83.01283	1.5
85.02836	4.6
93.03346	8.4
95.01247	9.3
97.02830	23.4
99.92465	3.6
107.01276	9.8
108.02055	72.0
109.02853	29.8
110.02381	10.9
111.00774	1.5
121.02849	30.7
122.03611	3.8
123.00764	12.3
124.01563	1.4
125.02343	33.0
126.86366	1.2
135.00778	50.3
136.01160	2.5
137.02348	36.5
141.07022	1.8
151.00339	2.1
151.03951	6.6
152.01062	64.4
153.01489	1.9
169.06537	4.6
181.12289	2.7
183.08051	4.2
185.06047	1.7
197.04204	2.3
197.06018	40.5
198.06444	4.0
199.07433	1.9
199.13472	1.5
200.05492	3.7
201.09108	2.2
207.10104	1.8
213.05440	9.4
215.07088	4.6
225.11177	2.2
225.14902	2.5
227.07086	54.8
228.07539	9.1
243.02878	2.0
243.06577	37.8
243.10242	100.0
243.15904	4.3
244.06905	4.1
244.10579	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	243.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76630	0.3
53.60905	0.3
59.01254	0.3
67.01762	0.3
69.38021	2.5
71.03165	0.3
71.81405	0.3
76.72404	0.3
79.32729	0.4
81.03346	2.2
82.02873	0.4
83.08372	0.4
88.61438	0.3
93.03333	3.9
95.01263	0.7
108.02061	3.3
109.02850	2.3
110.02389	0.6
121.02831	2.4
122.03634	20.2
123.00783	0.9
123.03986	1.1
124.01490	0.4
125.02330	2.3
128.32375	0.3
134.05267	0.3
135.04407	0.5
136.01569	0.7
136.05186	0.7
137.02321	2.6
143.04964	0.9
151.03923	1.5
153.01869	0.8
154.02641	0.5
158.07288	0.4
177.44182	0.4
183.08109	2.8
184.08813	1.4
185.06042	2.0
186.06776	2.9
199.07521	0.4
199.11290	0.6
201.05557	0.4
201.09160	6.1
202.09468	0.4
220.70255	0.3
227.07089	25.3
228.07608	4.3
242.58902	0.4
243.10234	100.0
244.10565	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	243.1023
Annotation	Vittarin B
Peak:m/z	Relative Intensity
55.90108	0.2
57.03323	0.3
59.01246	0.5
65.03825	0.3
68.99715	0.3
69.59800	1.4
78.79488	0.2
81.03330	2.1
82.02840	0.3
82.03962	0.2
93.03328	3.1
94.49573	0.2
95.01265	0.7
97.02869	0.2
103.71082	0.2
108.02053	4.0
109.02847	1.7
110.02362	1.4
111.00752	0.3
119.04913	0.2
121.02834	3.0
122.03629	21.1
123.00752	0.8
123.03976	0.8
124.01599	0.2
125.02329	2.5
135.04353	0.4
136.01547	0.4
136.05176	0.5
137.02338	2.6
143.04878	0.7
143.76584	0.2
149.02359	0.3
151.02780	0.2
151.03865	1.1
153.01862	1.1
154.02637	0.5
157.06470	0.4
158.07246	0.7
160.05168	0.4
171.04489	0.2
172.05266	0.2
181.69144	0.2
183.08067	3.1
184.08794	1.5
185.06004	2.3
186.06760	2.9
186.21744	0.3
191.59917	0.2
199.07599	0.5
199.11214	0.4
200.05707	0.3
201.07404	0.4
201.09157	6.4
202.09418	0.6
225.11197	0.4
225.14919	0.3
227.07086	27.9
228.07620	4.0
243.10234	100.0
244.10567	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	243.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72127	0.1
68.99671	0.1
69.99242	0.3
69.99637	0.3
75.00768	0.1
81.03307	0.5
92.02524	0.3
93.03333	7.7
94.03641	0.3
95.01254	1.0
106.04104	0.8
108.02046	3.4
109.02844	2.9
110.02315	0.1
119.04879	0.2
120.02062	0.3
121.02844	8.2
122.03643	4.3
123.00757	0.4
124.01601	0.2
125.02311	0.4
135.04401	0.9
136.01535	0.4
136.05183	0.8
137.02321	0.6
138.03088	0.1
143.04924	0.8
145.06451	0.3
149.02374	0.7
151.03912	4.4
152.04218	0.3
153.01823	0.8
157.06470	0.2
158.07263	1.2
159.07910	0.2
160.05157	0.3
171.04553	0.2
181.06491	0.2
182.07214	0.2
183.08081	5.0
184.08659	0.6
185.05988	1.6
186.06718	0.5
188.84239	0.1
199.07581	0.4
200.08296	0.2
201.09166	2.2
209.06096	0.1
210.06807	0.3
211.07590	0.4
213.05441	0.4
217.73227	0.1
225.05624	0.1
225.19061	0.1
227.07091	58.5
228.07617	8.0
229.08180	0.3
243.10240	100.0
244.10573	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	243.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54130	0.4
69.27248	2.0
69.27673	1.4
81.03338	2.2
87.55225	0.3
92.32668	0.4
93.03342	2.8
95.01256	0.6
108.02069	2.7
109.02829	2.2
119.04893	0.5
121.02843	2.6
121.03551	0.4
122.03631	20.0
123.03960	0.6
123.10625	0.4
125.02335	1.8
137.02388	2.0
143.04903	0.6
151.03972	1.1
153.01779	0.6
154.00946	0.4
158.07324	0.9
183.08109	2.9
184.08826	1.3
185.06013	2.3
186.06845	2.2
199.07600	0.6
199.11253	0.5
201.09143	5.9
227.07092	26.4
228.07500	4.4
233.67975	0.4
243.10237	100.0
244.10576	10.8
244.13162	0.6
251.32707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04949	1.1
57.03317	2.4
59.01253	66.4
69.03331	1.9
69.50584	9.4
71.04879	1.4
72.99178	9.1
81.90752	1.1
83.04893	3.2
107.08531	3.1
110.02333	3.0
111.04396	16.5
121.10146	3.5
125.09643	1.9
139.11154	3.7
155.10722	2.9
183.10204	57.6
184.10597	4.5
201.01877	3.3
201.11273	100.0
202.11566	8.1
215.03575	2.5
225.11302	1.6
227.06976	1.6
243.02968	21.6
243.05553	2.0
243.06500	2.1
243.10109	1.7
243.12352	5.5
244.03419	2.8
244.07486	1.3
246.07831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03320	1.3
59.01245	3.2
66.73785	1.2
69.30157	0.9
71.04895	4.3
71.52599	1.8
72.99199	1.1
73.02814	1.8
77.66770	1.0
78.56131	1.0
79.08596	1.0
83.04903	2.4
91.01817	1.1
93.03371	1.3
96.95908	1.2
97.02827	5.8
97.06476	2.7
99.00757	22.8
108.02047	2.9
109.02835	2.8
109.06495	1.9
110.02356	2.5
110.03611	1.9
122.03613	7.2
123.07994	1.6
125.09639	7.1
127.11192	1.3
136.05176	1.9
142.02625	4.5
144.67569	1.0
153.12743	2.7
155.14384	1.7
163.11188	9.5
164.11555	1.1
179.10619	1.1
181.12262	29.3
182.12717	1.4
199.13333	23.9
200.13722	1.6
201.09215	1.9
207.10205	51.4
208.10550	5.0
225.11273	100.0
226.11604	8.1
227.07077	12.0
243.02997	1.9
243.06795	8.3
243.10185	36.5
243.12366	92.5
244.07434	1.3
244.10065	5.2
244.12703	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.6
63.39616	1.1
65.01335	1.7
69.26827	13.0
71.04897	4.0
72.02509	1.3
73.02827	1.5
81.03396	1.5
82.02830	2.1
83.04873	1.9
91.01774	2.6
93.03355	1.9
97.02834	5.9
97.06483	1.7
99.00761	25.1
100.01077	1.6
108.02069	6.9
109.02826	1.8
110.02351	6.2
110.03607	2.7
112.52428	1.4
121.02884	2.1
122.03658	6.0
123.00821	1.5
123.10265	1.2
125.09601	6.5
135.00786	3.1
137.02348	2.8
142.02626	2.5
145.10069	1.3
152.01024	1.5
152.03384	2.1
155.14346	3.1
163.11195	10.3
166.02251	1.2
181.10794	2.5
181.12271	27.6
182.12646	2.1
183.10133	2.5
199.13351	25.6
200.05591	2.6
200.13713	1.7
201.09305	2.8
201.11263	3.4
207.10208	45.5
208.10544	5.0
225.11279	100.0
226.11696	8.4
227.07094	8.9
229.07420	3.3
238.42953	1.5
239.08694	1.4
243.02971	4.9
243.06622	20.4
243.10181	28.8
243.12358	99.9
244.06844	2.8
244.09924	7.5
244.12695	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	245.0816
Annotation	Torachrysone
Peak:m/z	Relative Intensity
52.90513	0.3
54.88651	0.3
57.03325	1.9
59.01229	0.4
62.80468	0.3
66.41154	0.3
69.03322	0.3
71.00844	0.6
71.01192	0.3
71.61954	0.3
75.42674	0.3
80.02546	0.5
81.03341	4.6
93.03322	0.9
95.04905	3.8
97.02812	2.0
105.21889	0.3
108.02055	0.4
109.02837	7.5
109.03590	0.4
110.03158	0.4
119.04901	0.5
121.02837	3.4
122.03605	0.8
123.04411	6.4
131.04909	0.9
133.02849	0.5
133.06454	0.5
135.04417	1.1
136.59439	0.3
139.03893	1.3
143.04930	0.7
145.02892	2.0
146.03622	3.0
147.04410	2.9
149.02336	1.7
149.15750	0.3
150.03082	0.8
157.06499	1.4
158.03691	0.9
159.04414	10.3
159.08066	0.5
160.05188	2.9
161.02370	1.4
161.05994	12.0
162.03149	2.7
162.06334	0.6
173.02344	0.9
173.04570	0.4
173.05983	3.1
174.03140	2.5
174.06718	0.9
175.03938	7.0
175.07542	7.3
176.04272	0.4
176.07945	0.5
181.06528	0.4
183.04468	1.0
184.05186	1.0
184.72993	0.3
185.05997	3.0
187.03928	14.2
188.04713	12.7
188.06262	0.3
189.05151	1.0
199.07602	2.6
199.54346	0.3
201.01836	0.6
201.05470	2.8
202.06276	5.4
203.03284	0.9
203.07069	33.3
204.07359	2.5
209.06032	0.4
211.03896	0.3
212.04726	2.0
213.05016	0.3
217.04996	1.2
217.08614	1.6
227.07077	6.9
228.07413	0.8
230.05809	2.6
245.08153	100.0
246.08499	9.9
267.61652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01239	1.5
60.99182	1.1
67.01753	3.2
69.03314	0.8
71.01256	3.8
71.51935	1.3
72.99180	100.0
73.99509	1.6
81.03331	1.3
83.04907	0.9
85.02831	0.8
87.00742	0.8
88.80772	0.7
93.03335	23.9
93.03927	1.2
94.03699	0.8
111.04404	5.0
121.02886	0.9
125.02328	1.2
137.02365	3.3
147.04318	1.0
147.56857	0.7
149.02412	0.9
155.03442	2.3
157.04951	1.8
173.04472	88.5
174.04802	4.0
177.05431	0.8
191.05478	0.7
193.01309	0.7
219.02884	0.9
247.02350	0.9
247.04601	3.0
247.17099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
58.11401	0.2
59.01251	0.2
69.33949	1.2
71.01237	0.5
72.91488	0.2
75.86346	0.2
79.95591	0.2
97.10426	0.1
114.73698	0.2
116.60923	0.2
172.00757	0.1
172.98103	0.2
184.00104	2.6
204.15092	0.2
220.16928	0.3
231.13846	0.5
232.14610	0.2
247.17004	100.0
248.07942	2.9
248.17351	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
50.35344	2.0
53.94365	2.0
56.51362	1.8
57.68579	2.1
59.01246	15.2
61.98696	3.2
66.36954	2.0
69.03327	39.2
71.52837	2.4
73.02805	2.5
76.10524	2.0
78.76058	2.1
79.42495	2.1
80.23402	2.2
89.78198	1.9
91.64523	1.9
95.04890	6.6
101.02269	2.6
109.06404	2.2
109.58047	2.1
119.04929	3.2
126.44482	2.2
147.81688	2.2
149.13225	2.5
161.02451	2.2
179.10655	4.5
187.14873	4.8
193.12294	9.3
205.12276	10.3
205.15929	13.7
221.15492	15.9
231.13853	31.8
232.14168	2.5
249.07684	6.1
249.11035	5.1
249.14943	100.0
250.14424	39.4
255.85262	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	253.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94316	0.7
57.03314	1.0
59.01251	30.5
62.40894	0.7
68.24656	0.7
71.01255	18.1
71.52934	0.8
72.99185	1.4
73.02814	2.1
82.90765	0.6
83.01258	2.3
85.02826	4.2
87.00764	2.2
89.02316	14.6
91.03905	0.8
92.26001	0.7
95.01284	1.9
97.02834	0.9
97.06509	0.7
99.00784	0.8
101.02323	17.2
105.28771	0.7
111.08048	2.0
113.02317	7.9
114.84968	0.7
119.03395	3.7
121.02824	1.3
129.09851	0.7
131.03432	1.4
133.07602	0.7
135.08017	0.6
139.07558	0.8
141.05394	1.6
143.03444	2.0
155.07063	0.8
161.04462	5.8
179.05534	1.8
182.03662	2.2
195.04445	91.6
196.04797	6.6
209.15335	0.9
210.03130	2.2
210.06708	0.8
211.04001	1.0
223.03952	77.4
224.04279	6.6
225.05727	0.7
238.06320	100.0
239.04008	0.9
239.06616	8.8
253.08759	80.1
253.14139	3.2
253.18019	1.3
253.21594	2.0
254.09052	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	253.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.3
59.48914	0.4
66.96667	0.3
69.62851	2.7
71.01260	2.7
73.02776	0.3
85.02801	0.5
87.00768	0.4
89.02326	1.8
91.25398	0.4
98.20578	0.4
101.02335	2.5
113.02328	1.2
113.21916	0.4
161.04507	1.4
195.04443	95.4
196.04778	8.6
210.06778	1.1
223.03960	77.4
224.04274	6.8
238.06322	100.0
239.06665	10.4
253.08696	54.6
253.18037	0.6
253.21724	1.0
254.09045	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	255.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65881	1.2
70.77647	0.5
83.01284	0.5
95.13995	0.5
105.63283	0.4
138.06639	0.5
143.04950	1.2
145.06453	1.1
153.09120	0.6
165.26105	0.5
167.04919	15.6
168.05701	2.3
183.04361	0.6
184.05266	0.6
193.12331	0.7
211.03951	40.2
211.13229	1.2
212.04709	40.4
213.05106	3.8
225.05467	1.0
226.06279	1.8
227.07080	2.7
239.03461	39.2
240.04224	32.0
241.04707	2.7
253.05031	1.1
255.06613	100.0
255.23273	65.9
256.06943	10.2
256.23645	5.1
256.54855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65881	1.2
70.77647	0.5
83.01284	0.5
95.13995	0.5
105.63283	0.4
138.06639	0.5
143.04950	1.2
145.06453	1.1
153.09120	0.6
165.26105	0.5
167.04919	15.6
168.05701	2.3
183.04361	0.6
184.05266	0.6
193.12331	0.7
211.03951	40.2
211.13229	1.2
212.04709	40.4
213.05106	3.8
225.05467	1.0
226.06279	1.8
227.07080	2.7
239.03461	39.2
240.04224	32.0
241.04707	2.7
253.05031	1.1
255.06613	100.0
255.23273	65.9
256.06943	10.2
256.23645	5.1
256.54855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07774	0.4
53.09887	0.4
60.06146	0.3
67.79855	0.3
71.53173	0.5
84.79337	0.3
96.27518	0.4
195.04369	0.5
196.05186	0.6
197.06010	55.7
198.06364	3.8
210.25885	0.4
225.05521	100.0
226.05855	7.9
240.07880	90.3
241.08199	8.4
255.10245	66.2
255.23268	31.4
256.10556	6.9
256.23657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95642	0.3
60.38057	0.2
60.57911	0.2
60.76325	0.3
61.92691	0.3
70.84451	0.7
87.72713	0.3
107.21207	0.2
110.94314	0.3
154.12338	0.3
196.05295	0.8
197.06009	54.5
198.06363	3.9
225.05521	92.2
226.05859	6.8
240.07881	100.0
241.08223	9.1
241.10698	0.5
254.89507	0.3
255.10242	56.0
255.23280	4.8
256.10587	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	255.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17944	0.6
57.03317	2.0
59.01229	0.8
61.98711	1.1
65.01311	0.8
69.69110	3.0
69.69518	1.1
71.01254	5.2
73.02821	74.3
74.03143	1.1
83.04890	0.7
87.04389	2.8
121.14315	0.7
123.08031	2.3
133.02821	1.5
135.04424	0.8
153.09140	1.0
161.02322	0.9
175.14841	1.5
181.12259	5.2
183.04451	1.4
193.15944	2.2
209.15527	1.5
211.07683	1.2
227.03464	2.1
240.04381	1.0
255.02922	3.2
255.06689	3.3
255.16019	37.1
255.23273	100.0
256.16351	3.3
256.23669	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	255.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17944	0.6
57.03317	2.0
59.01229	0.8
61.98711	1.1
65.01311	0.8
69.69110	3.0
69.69518	1.1
71.01254	5.2
73.02821	74.3
74.03143	1.1
83.04890	0.7
87.04389	2.8
121.14315	0.7
123.08031	2.3
133.02821	1.5
135.04424	0.8
153.09140	1.0
161.02322	0.9
175.14841	1.5
181.12259	5.2
183.04451	1.4
193.15944	2.2
209.15527	1.5
211.07683	1.2
227.03464	2.1
240.04381	1.0
255.02922	3.2
255.06689	3.3
255.16019	37.1
255.23273	100.0
256.16351	3.3
256.23669	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	256.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92226	0.2
61.98712	0.4
64.74963	0.3
71.52876	0.2
71.53239	0.4
74.94568	0.2
78.73524	0.2
84.42364	0.2
85.24272	0.3
96.05713	0.2
145.06483	0.7
157.06393	0.4
167.04929	1.4
169.06473	0.6
171.04404	0.6
182.03613	0.6
185.06006	3.8
195.04456	55.5
196.04831	4.4
197.06013	0.6
198.03163	0.4
211.03986	0.7
212.04758	3.3
212.20924	0.3
213.05524	60.6
214.05846	5.2
223.04007	1.0
226.02643	0.4
240.04272	0.4
240.83830	0.3
241.05038	100.0
242.05403	9.2
255.23245	4.0
256.07397	77.9
256.23624	9.3
257.07797	8.7
257.14130	0.3
257.23935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
50.62310	0.2
58.43812	0.2
66.90678	0.2
72.04408	0.4
74.02344	100.0
75.02686	1.0
84.04425	1.1
93.03364	0.6
95.01283	0.3
108.02077	0.5
109.51071	0.3
112.67285	0.2
121.02848	1.0
130.91347	0.3
154.51102	0.3
156.68723	0.3
210.18636	0.5
211.07660	0.4
212.20135	4.1
213.20412	0.2
226.06229	0.6
227.07138	0.5
229.14891	0.3
241.08749	1.6
242.05794	0.3
242.09415	1.6
256.19171	36.4
256.23367	7.9
257.07971	0.4
257.11804	6.6
257.17462	0.3
257.19513	2.9
257.23685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74345	0.2
53.47229	0.2
56.01855	0.2
57.03322	1.2
59.01242	0.6
61.83671	0.2
63.02273	0.4
65.00187	3.3
67.01760	0.2
70.45132	0.4
70.45503	0.4
80.02567	0.2
81.03331	10.8
81.64450	0.2
82.03642	0.4
83.01254	3.3
85.06416	0.2
93.03332	0.6
96.56402	0.2
106.98868	0.2
107.01277	3.4
107.04894	0.4
108.02036	0.5
109.02841	0.8
119.04884	0.2
121.02855	1.3
122.03631	5.7
123.00813	0.2
123.01862	0.2
123.03933	0.3
124.01499	0.3
125.02340	6.0
126.02634	0.2
129.06961	0.4
130.04124	0.2
131.04933	1.2
135.04477	0.2
136.01567	0.3
138.03156	0.2
141.07042	0.3
143.08577	0.8
143.34512	0.2
145.06459	0.7
147.08055	1.2
148.01591	0.3
149.05975	0.5
151.00285	5.1
152.25081	0.2
153.01807	0.2
153.07001	0.8
155.04915	0.8
156.05713	2.5
166.02637	1.0
167.08521	0.4
169.06506	3.4
170.07066	0.4
171.08060	4.7
172.08438	0.3
173.05992	9.2
174.06360	0.5
183.08075	0.4
184.05171	0.3
185.06047	0.3
185.09659	0.4
187.47826	0.2
189.09088	0.3
195.08076	4.8
196.08443	0.5
197.06003	1.8
198.06714	0.3
199.03996	0.2
209.16170	0.2
211.07532	1.0
213.09149	23.7
214.09457	1.8
215.07062	0.7
221.05934	0.2
224.04657	0.6
225.05464	1.1
226.06313	0.2
239.07091	10.3
240.07477	0.8
241.05031	3.6
242.01967	0.2
242.05769	1.4
243.06566	1.5
256.23718	0.9
257.08167	100.0
257.17374	3.2
257.23901	0.6
258.08514	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	257.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74345	0.2
53.47229	0.2
56.01855	0.2
57.03322	1.2
59.01242	0.6
61.83671	0.2
63.02273	0.4
65.00187	3.3
67.01760	0.2
70.45132	0.4
70.45503	0.4
80.02567	0.2
81.03331	10.8
81.64450	0.2
82.03642	0.4
83.01254	3.3
85.06416	0.2
93.03332	0.6
96.56402	0.2
106.98868	0.2
107.01277	3.4
107.04894	0.4
108.02036	0.5
109.02841	0.8
119.04884	0.2
121.02855	1.3
122.03631	5.7
123.00813	0.2
123.01862	0.2
123.03933	0.3
124.01499	0.3
125.02340	6.0
126.02634	0.2
129.06961	0.4
130.04124	0.2
131.04933	1.2
135.04477	0.2
136.01567	0.3
138.03156	0.2
141.07042	0.3
143.08577	0.8
143.34512	0.2
145.06459	0.7
147.08055	1.2
148.01591	0.3
149.05975	0.5
151.00285	5.1
152.25081	0.2
153.01807	0.2
153.07001	0.8
155.04915	0.8
156.05713	2.5
166.02637	1.0
167.08521	0.4
169.06506	3.4
170.07066	0.4
171.08060	4.7
172.08438	0.3
173.05992	9.2
174.06360	0.5
183.08075	0.4
184.05171	0.3
185.06047	0.3
185.09659	0.4
187.47826	0.2
189.09088	0.3
195.08076	4.8
196.08443	0.5
197.06003	1.8
198.06714	0.3
199.03996	0.2
209.16170	0.2
211.07532	1.0
213.09149	23.7
214.09457	1.8
215.07062	0.7
221.05934	0.2
224.04657	0.6
225.05464	1.1
226.06313	0.2
239.07091	10.3
240.07477	0.8
241.05031	3.6
242.01967	0.2
242.05769	1.4
243.06566	1.5
256.23718	0.9
257.08167	100.0
257.17374	3.2
257.23901	0.6
258.08514	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	257.0818
Annotation	2',4',6'-Trihydroxydihydrochalcone
Peak:m/z	Relative Intensity
52.27314	0.3
57.03317	1.7
59.01248	0.7
62.78698	0.2
65.00191	2.9
71.39095	0.4
72.05208	0.2
73.78201	0.2
80.02584	0.2
81.03329	16.9
83.01262	2.6
83.04881	0.4
91.05379	0.3
93.03321	0.5
98.38967	0.2
105.31757	0.3
107.01248	2.4
107.04881	0.6
109.02835	0.9
121.02847	1.2
122.03631	8.1
125.02334	8.5
125.03255	0.4
126.02699	0.3
129.07002	0.3
131.04897	1.4
135.04424	0.3
138.03091	0.3
141.07034	0.3
143.08572	0.6
145.06471	0.6
147.08032	0.8
148.01563	0.3
149.05984	0.6
151.00267	4.5
151.92441	0.3
153.06892	0.3
155.04895	0.5
156.05721	3.7
159.04329	0.3
166.02626	1.0
169.06523	2.4
170.07262	0.6
171.08073	5.0
172.08406	0.4
173.05989	8.5
174.06369	0.5
183.08066	0.4
184.05200	0.5
185.09645	0.7
189.09126	0.4
195.08075	2.5
197.06012	0.5
198.06775	0.5
203.97313	0.2
211.07510	0.5
213.09157	42.0
214.09464	3.5
229.11583	0.3
239.07080	4.0
240.07614	0.4
242.05792	0.4
244.06749	0.2
245.81911	0.3
256.23676	0.6
257.08179	100.0
257.23856	0.7
258.08536	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	257.0819
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
52.15297	0.4
53.38189	0.3
56.19466	0.4
58.04863	0.4
69.72923	0.9
69.73322	2.1
85.73614	0.4
88.33194	0.4
95.01234	0.6
98.20493	0.9
105.85250	0.4
133.02852	0.7
135.04388	1.2
146.03613	1.2
161.02324	2.3
167.04915	0.5
172.05171	2.7
173.04575	0.7
173.06013	1.1
177.05498	0.5
179.03419	0.5
183.04474	0.7
195.04477	2.1
196.05235	12.4
197.05997	1.9
199.03929	1.8
204.04210	1.3
213.05528	13.4
214.06215	3.4
224.04733	5.0
225.05414	2.5
227.03503	1.2
228.04169	0.7
228.53404	0.6
239.07138	3.9
240.04303	2.5
241.05040	24.5
242.05812	50.9
243.06166	4.4
257.08182	100.0
258.08533	7.8
274.04736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04476	1.5
58.99451	1.8
65.00196	3.9
69.23981	3.1
69.24382	10.4
74.02350	89.2
75.24989	1.2
81.03326	3.2
94.06536	1.8
97.03960	2.8
97.28192	1.3
109.03980	8.8
110.09639	19.2
111.05531	24.2
119.04932	4.0
121.02823	5.7
122.09653	5.5
123.04437	6.4
123.05424	1.5
136.07573	3.1
136.45549	1.4
138.04234	4.4
150.09166	4.6
151.12329	1.4
152.67813	1.5
155.10715	1.9
161.02420	2.4
164.09453	2.7
167.11769	3.6
179.11826	100.0
180.12187	7.3
193.09737	1.8
211.07671	1.8
211.10838	32.4
213.05519	2.4
213.09227	3.4
223.10851	47.1
224.04683	3.0
224.11137	3.5
241.05006	1.8
242.05852	12.1
256.23627	3.7
257.04446	3.9
257.07867	14.3
257.12097	2.2
257.17496	8.2
257.23904	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	257.118
Annotation	Pellepiphyllin
Peak:m/z	Relative Intensity
57.03318	0.3
59.01257	0.4
66.85297	0.3
69.03362	0.3
69.24601	1.3
69.25028	1.7
74.93150	0.3
74.93808	0.4
93.03337	11.6
95.01259	2.6
98.19769	0.6
101.02310	0.4
102.16387	0.3
106.04133	1.0
108.02049	7.0
109.02848	0.4
111.00729	0.3
119.04883	1.2
121.02847	20.8
122.03112	0.5
123.00765	0.6
125.02314	0.6
135.04410	1.4
136.01506	0.6
137.02348	1.0
149.02330	1.2
149.06027	0.6
150.39102	0.3
151.03925	3.0
152.04536	0.3
153.01825	0.4
155.10716	0.5
171.08035	0.4
181.06509	0.5
183.08080	0.9
184.13158	0.3
185.06004	0.5
197.06082	0.5
198.06746	1.4
199.07616	2.0
208.05211	0.8
209.05968	1.8
210.06789	0.6
211.07576	4.8
212.07941	0.4
213.05573	0.5
213.09100	1.8
221.92986	0.3
225.05412	0.8
226.04045	0.6
226.06305	12.1
227.07056	10.9
227.09328	0.6
228.07391	0.8
241.08681	22.7
242.09435	27.5
243.09692	2.1
257.11816	100.0
257.23917	1.3
258.12149	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	257.1182
Annotation	3,5-Dimethoxy-2'-hydroxybibenzyl
Peak:m/z	Relative Intensity
54.89089	0.2
61.98690	0.2
63.74420	0.2
70.01088	0.9
71.01266	0.2
82.00469	0.2
84.44787	0.2
92.02560	1.0
93.03337	9.8
94.03697	0.5
95.01263	1.7
106.04129	2.8
106.04796	0.3
108.02055	5.6
109.02876	0.4
119.04903	1.0
121.02843	18.6
122.03158	0.4
123.00780	0.4
123.04435	0.2
124.01587	0.3
135.04433	1.3
136.01579	0.5
136.05209	0.5
137.02356	1.0
149.02371	1.1
149.06044	0.2
151.03918	3.1
153.01843	0.5
158.73447	0.2
159.08023	0.3
171.08058	0.4
181.06537	0.5
182.07222	0.4
183.08060	0.9
185.05997	0.6
197.06100	0.2
197.09694	0.4
198.06764	1.1
199.07547	2.1
208.05299	0.6
209.06041	2.5
210.06752	0.4
211.07578	5.4
212.04793	0.2
212.07979	0.5
213.05695	0.3
213.09105	1.7
214.09840	0.3
225.05515	0.3
226.06308	12.7
227.07069	9.7
228.07469	0.6
241.08672	25.1
242.09430	29.2
243.09793	2.4
257.11807	100.0
258.12149	10.1
265.21899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41487	20.5
59.01248	62.9
67.01659	19.6
70.89609	38.4
70.89941	32.1
71.01257	60.4
78.95788	48.5
95.34017	22.5
96.96835	100.0
99.00777	33.5
106.10374	25.0
106.46040	21.2
111.00783	27.7
111.04413	36.3
111.38300	24.5
112.98691	64.4
113.17426	23.8
131.55800	22.0
150.82350	31.7
181.48083	28.4
217.10725	35.9
259.06168	44.1
259.09940	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0976
Annotation	Tristin
Peak:m/z	Relative Intensity
51.63200	1.1
64.21927	1.0
71.31841	2.2
93.03332	3.0
107.04900	3.3
108.02037	13.3
109.02851	20.4
121.02850	22.2
122.03657	41.0
124.01571	2.2
125.02359	2.3
136.01584	3.7
137.02353	100.0
137.05980	33.4
138.02699	2.0
138.06297	1.4
151.03891	2.1
153.01840	1.5
154.02654	2.5
198.06389	1.3
209.05917	2.2
226.06044	1.7
227.07167	12.7
244.07361	56.1
245.07774	4.2
259.09747	71.3
260.10107	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	23.4
69.42971	9.6
69.43283	1.6
103.56738	1.2
137.09599	8.0
153.09178	1.1
155.10690	100.0
156.11055	5.0
171.10188	26.4
172.10509	1.5
180.51917	1.4
181.08661	1.3
199.09695	35.7
200.10092	2.3
208.31226	1.1
217.10771	87.8
218.11148	6.2
259.11844	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	261.0768
Annotation	Khellactone
Peak:m/z	Relative Intensity
52.69224	0.3
56.20356	0.3
57.03329	2.5
57.98228	0.3
59.01249	0.4
65.40085	0.3
71.53766	0.5
83.67778	0.3
103.05498	0.3
110.02392	0.3
114.01867	0.3
117.03352	26.0
118.03722	1.1
119.04913	2.5
121.02847	5.2
123.04395	1.1
125.61373	0.3
130.04149	0.6
131.04919	3.3
133.02818	0.7
134.03615	0.5
134.52335	0.3
145.02858	100.0
146.03206	4.8
149.05952	0.4
159.08070	1.8
162.03162	2.0
163.71555	0.3
187.07584	0.6
198.77898	0.3
217.08655	6.6
217.12119	0.4
218.08966	0.5
261.07675	32.2
261.22147	0.9
262.08020	2.5
274.09061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0768
Annotation	Khellactone
Peak:m/z	Relative Intensity
57.03316	3.0
71.53245	0.3
87.13872	0.2
93.03372	0.2
110.57169	0.2
117.03345	31.2
118.03636	1.1
119.04900	2.2
121.02839	5.2
123.04430	1.5
129.03377	0.2
130.04089	0.5
131.04919	3.7
133.02849	0.5
134.03696	0.3
145.02852	100.0
146.03181	5.1
149.06000	0.6
159.08070	2.2
162.03125	2.1
171.82932	0.3
173.21024	0.2
175.03893	0.5
187.07564	0.6
217.08649	7.7
217.11949	0.3
218.08925	0.7
261.07663	33.3
262.08005	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59058	1.4
59.01251	100.0
70.99707	3.4
71.01260	2.4
73.02836	1.6
81.44135	1.3
101.11834	1.3
102.47739	1.7
104.79973	1.2
181.55898	1.6
202.80171	1.4
263.09314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03382	1.5
59.01252	100.0
70.81383	1.7
70.81773	4.4
71.01245	3.0
83.01231	1.3
101.02374	2.5
102.61244	1.7
123.42559	1.6
201.12717	2.2
263.09445	1.7
263.12888	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07354	0.2
55.46316	0.2
59.01247	0.4
62.26566	0.2
77.23778	0.2
79.95606	2.1
83.04948	0.3
85.02810	0.3
87.83638	0.3
95.95147	0.4
96.95892	100.0
97.95789	0.4
101.02295	0.3
129.16461	0.3
132.16586	0.2
134.04584	0.3
168.49799	0.3
175.00523	0.3
177.05498	0.3
198.61386	0.2
265.14783	75.8
266.15115	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	267.1602
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
57.03071	0.6
57.03333	3.1
59.01253	3.4
59.98383	1.0
66.89442	0.5
67.85200	0.5
69.03334	6.1
71.01263	3.9
71.04887	1.6
71.52936	0.5
71.53403	0.8
73.02815	2.0
73.18964	0.6
75.02027	0.6
83.04906	6.2
85.02806	2.0
85.06466	6.0
87.04381	0.9
89.02342	1.6
91.24533	0.6
93.03321	1.4
95.04895	2.2
97.02836	0.7
97.06416	0.8
98.03569	0.8
99.04388	8.9
101.02331	3.0
109.06473	1.4
111.04379	0.8
111.08002	0.8
113.02328	2.0
113.05952	2.4
115.41789	0.5
119.03447	0.6
119.08546	1.1
133.02832	1.4
135.04419	1.4
135.08044	1.6
135.11639	2.2
137.02344	0.7
137.09644	3.1
139.11169	5.3
151.11134	0.7
153.09119	10.4
153.12743	0.7
154.09401	0.6
155.10689	4.1
158.23746	0.5
161.02339	2.6
161.04457	0.8
165.12749	0.7
167.10661	2.1
173.04443	1.7
179.03465	1.4
179.10695	31.0
180.11049	1.7
187.14799	1.5
188.29791	0.7
193.15938	1.2
199.09743	0.6
205.15881	3.6
205.82269	0.5
209.11731	1.2
223.17026	1.1
236.09476	0.8
249.14943	2.6
267.16003	100.0
268.06812	0.8
268.16348	8.2
280.62924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1601
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.78103	0.9
57.03326	4.6
59.01249	1.2
59.98394	1.4
62.05092	0.8
69.03321	8.0
69.74921	2.3
69.75311	1.9
71.01241	2.0
71.04897	2.1
73.02808	3.1
79.23040	0.9
81.03321	2.8
81.06955	1.3
83.04898	2.9
85.02803	1.1
87.04378	1.1
89.02290	1.0
95.04865	2.1
96.17889	0.8
99.04398	13.9
101.02339	1.0
103.34493	0.8
113.02311	1.2
119.08596	0.9
126.35829	1.0
135.11665	2.0
137.09566	2.1
149.09686	1.0
153.09106	11.4
155.10789	0.8
160.85364	0.8
161.09598	1.2
167.10667	4.4
173.04468	1.3
179.10696	38.7
180.11079	2.2
219.13820	1.4
231.13779	1.6
249.14964	6.5
267.16013	100.0
268.16397	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	267.1603
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
54.77145	1.1
57.03054	1.3
57.03327	21.8
59.01251	6.9
67.01749	2.1
69.03323	36.4
69.99800	5.1
70.03670	1.2
71.01258	6.3
71.04888	1.8
73.02823	9.7
81.03329	1.3
81.06969	1.5
83.04898	18.1
85.02825	4.8
85.06461	2.2
87.00747	1.4
87.04409	2.3
89.02311	2.3
93.03345	9.0
93.06970	1.4
95.04909	2.3
95.12032	1.3
96.95873	1.9
98.20415	1.6
99.04394	3.2
101.02325	3.3
105.05448	1.1
111.04411	1.7
111.08063	10.3
113.05963	5.4
118.51397	1.0
119.08517	2.0
123.08052	1.4
133.02861	14.4
133.10091	6.1
135.04449	1.1
135.11703	13.8
137.02353	2.2
137.05994	1.4
137.09634	8.7
149.09586	2.2
153.12761	2.9
155.03506	1.5
155.07043	7.1
155.10693	13.4
161.02350	24.5
161.04478	2.7
162.02650	1.5
173.04488	17.7
174.04726	1.8
179.03351	1.4
179.10703	51.0
180.11021	2.7
186.07034	6.4
197.11771	13.0
199.09711	4.5
214.63081	1.1
249.14821	1.5
267.16006	100.0
268.16281	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	267.1602
Annotation	Helibisabonol A
Peak:m/z	Relative Intensity
57.03317	2.4
59.01254	5.7
59.98378	1.1
69.03321	8.7
70.84855	1.7
71.01246	5.1
73.02811	2.5
83.01225	0.8
83.04894	2.3
85.02828	3.2
87.04377	1.4
89.02308	2.0
93.00040	0.8
95.04898	2.0
99.04396	2.3
101.02339	3.7
112.92515	0.7
113.02326	2.9
113.05969	1.0
119.08577	1.5
122.74005	0.9
135.07997	1.0
135.11650	2.7
153.09131	14.0
161.04454	2.5
161.09525	1.3
173.39139	0.8
179.10687	38.6
180.11029	2.2
197.11577	1.0
223.16962	1.2
237.01936	2.2
242.87054	0.8
249.14949	4.8
252.04187	1.1
260.25366	0.8
267.16000	100.0
268.16293	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	6,7-Dihydroxy-2-methoxy-1,4-phenanthrenedione
Peak:m/z	Relative Intensity
50.88608	0.4
57.03289	0.5
59.01223	1.2
69.32628	1.6
69.33063	1.5
69.61966	0.4
79.13634	0.4
83.61430	0.4
98.79903	0.3
108.62823	0.3
116.21437	0.3
123.08012	0.8
133.02802	0.5
134.03604	1.6
135.11574	0.4
137.02368	2.3
140.83188	0.4
143.16168	0.4
145.02791	0.8
155.10667	0.8
158.03659	8.4
159.03957	0.5
161.02351	10.9
167.10655	0.9
167.68839	0.4
169.02820	0.4
170.03645	6.0
174.03160	0.5
181.12164	0.6
182.03641	7.3
185.02361	12.2
186.03107	2.1
189.01779	0.5
198.03186	3.6
211.03893	0.4
213.01857	1.6
225.01851	1.3
226.02672	18.7
227.03104	1.3
229.01387	3.0
237.01903	14.5
238.02229	0.9
240.04211	0.5
241.05023	0.8
249.92343	0.4
253.01407	55.5
254.01898	7.5
258.01733	1.7
269.04553	100.0
269.17899	2.5
269.21219	4.7
269.24673	0.7
270.04889	8.6
270.07614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0456
Annotation	Emodin
Peak:m/z	Relative Intensity
59.01245	1.7
60.84047	0.6
68.02342	0.7
71.01270	1.4
71.51620	1.0
83.04912	0.9
109.02847	0.8
145.02913	1.0
154.04146	20.5
155.04524	0.8
181.15895	0.9
182.03653	28.7
183.04147	2.3
198.03177	13.0
199.03528	1.0
211.03928	4.5
225.15016	0.7
226.02669	43.1
227.03061	3.9
232.96225	0.7
233.79410	0.6
235.05984	0.7
239.03526	4.8
241.05092	0.7
253.01408	32.7
254.02187	39.8
254.05637	6.0
255.02576	3.0
269.04568	100.0
269.07767	5.6
269.17905	1.1
269.21228	17.7
269.24786	3.7
270.04880	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	269.0819
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
59.01242	0.6
71.01245	0.7
73.02805	0.3
75.24909	0.3
83.82669	0.3
101.02367	0.3
108.60563	0.3
112.39307	0.3
117.03309	0.3
137.02368	0.3
183.04462	1.1
186.62546	0.3
196.05145	0.4
205.12254	0.8
211.03944	100.0
212.04276	5.9
224.04718	0.4
225.05554	1.3
225.22334	0.3
226.06207	1.1
239.03433	4.9
240.03897	0.4
253.05054	1.5
254.05820	87.0
255.06158	6.9
269.08197	56.9
269.21222	6.4
269.24734	1.3
270.08514	4.9
285.63037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Amoenumin
Peak:m/z	Relative Intensity
67.36353	0.3
70.85979	0.4
71.43866	0.5
85.97411	0.3
86.05976	0.3
100.72379	0.3
135.65210	0.3
155.04929	0.5
173.05992	0.5
183.04433	3.9
191.59442	0.3
210.03146	1.5
211.03960	35.2
212.04306	2.2
226.02686	0.4
227.07071	0.4
239.03476	90.8
240.03842	7.2
241.05096	0.3
254.05835	100.0
255.06194	8.7
255.08862	0.4
269.04935	0.9
269.08197	26.2
269.21231	1.3
270.08438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.3
71.33305	0.4
71.33641	0.3
72.78773	0.3
81.57477	0.3
105.40045	0.3
117.43716	0.3
124.37288	0.3
143.84045	0.3
155.30186	0.3
182.03711	1.2
183.04425	12.6
184.04861	0.6
185.96164	0.3
198.03166	1.2
210.03160	0.8
211.03944	92.2
212.04257	5.9
225.05399	0.7
226.02711	1.5
227.03349	0.9
239.03461	84.3
240.03798	6.8
245.33827	0.3
253.05043	0.5
254.05821	100.0
255.03076	0.9
255.06142	8.0
269.04700	1.8
269.08170	19.1
269.18512	0.4
269.21219	2.3
269.25055	0.5
270.05542	0.5
270.08545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87007	0.6
53.49753	0.5
55.01757	11.0
57.03326	8.0
57.34615	0.6
58.00470	3.3
59.01249	50.6
68.99658	1.0
69.03324	1.7
69.47247	2.4
69.47672	2.4
71.01253	100.0
72.01603	1.3
72.99174	5.4
73.02819	41.0
75.00744	1.9
81.03287	0.6
83.01257	21.2
83.57233	0.6
85.02824	55.7
85.99948	1.2
86.03155	1.3
87.00764	4.6
89.02315	4.2
95.01264	7.4
97.02824	3.5
98.20498	1.3
99.00755	16.6
101.02321	81.5
102.02676	1.4
107.04911	2.4
111.00749	1.3
113.02329	41.1
114.02667	1.1
118.94450	0.5
125.02342	2.6
129.01851	2.1
131.03444	0.8
135.04449	0.6
143.03419	2.3
159.02898	7.8
161.04466	25.5
178.84785	0.6
205.03488	1.5
210.82687	0.6
251.23683	0.6
269.10339	5.9
269.21252	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	10.7
57.03320	9.6
58.00467	2.0
59.01252	44.8
59.91041	1.8
71.01254	100.0
71.53208	2.2
72.99192	3.5
73.02818	39.8
83.01260	19.8
83.04893	1.8
85.02822	60.6
87.00745	4.8
89.02302	5.7
95.01264	7.4
99.00750	12.9
101.02326	83.2
107.04936	2.9
113.02333	43.6
119.04932	8.7
125.02357	2.8
143.03378	3.4
149.02348	3.3
157.98331	1.9
159.02885	9.9
161.04465	21.5
163.03925	5.2
166.81041	2.0
193.39220	2.0
196.57040	1.7
205.03516	2.4
225.22223	2.6
269.04657	3.4
269.08136	20.0
269.10660	3.2
269.14053	3.0
269.18271	2.9
269.21201	27.9
269.24844	5.8
294.37766	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1295
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01250	1.2
63.64973	0.5
71.01254	0.8
71.52337	0.8
73.00529	0.5
75.91788	0.5
80.34838	0.5
83.04890	0.7
89.02325	0.6
93.03371	0.8
107.03533	0.6
117.03370	0.8
151.00343	0.5
161.00687	0.6
161.04486	0.7
168.06810	0.5
186.95625	0.6
199.08745	0.6
210.09282	1.4
211.04022	2.7
211.08710	13.5
211.13251	0.6
225.10295	16.2
225.22217	0.7
226.10869	3.5
238.07414	0.7
239.03462	3.6
239.08203	8.5
240.08568	0.9
245.08643	0.5
253.09764	5.0
254.05954	3.8
254.10587	53.2
255.10866	4.5
269.05011	3.2
269.08203	2.6
269.12955	100.0
269.21204	14.2
269.24734	2.5
270.13293	11.7
270.21536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.97649	1.4
51.60736	1.5
53.99705	1.4
57.03321	9.2
59.01235	6.9
61.98686	2.7
71.01228	1.9
71.04883	4.9
72.02049	1.7
73.02808	4.1
75.66467	1.6
83.04895	3.2
85.02833	2.7
85.06464	19.2
87.04390	100.0
97.06445	6.0
99.04385	4.5
99.08013	1.7
101.05956	1.8
137.09619	3.5
139.07545	1.7
143.10742	9.5
155.10847	1.7
167.10652	2.5
167.64487	1.4
189.16260	1.7
207.17497	6.7
209.15363	1.7
211.03926	10.5
225.18555	15.4
226.02721	1.6
239.03432	2.4
249.18593	4.3
251.16328	2.8
251.90604	1.6
254.05856	10.2
269.04553	10.6
269.08118	7.5
269.17551	74.2
269.21155	38.7
269.24774	7.2
270.04904	2.1
270.17938	4.4
270.21582	3.7
291.78281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97649	1.4
51.60736	1.5
53.99705	1.4
57.03321	9.2
59.01235	6.9
61.98686	2.7
71.01228	1.9
71.04883	4.9
72.02049	1.7
73.02808	4.1
75.66467	1.6
83.04895	3.2
85.02833	2.7
85.06464	19.2
87.04390	100.0
97.06445	6.0
99.04385	4.5
99.08013	1.7
101.05956	1.8
137.09619	3.5
139.07545	1.7
143.10742	9.5
155.10847	1.7
167.10652	2.5
167.64487	1.4
189.16260	1.7
207.17497	6.7
209.15363	1.7
211.03926	10.5
225.18555	15.4
226.02721	1.6
239.03432	2.4
249.18593	4.3
251.16328	2.8
251.90604	1.6
254.05856	10.2
269.04553	10.6
269.08118	7.5
269.17551	74.2
269.21155	38.7
269.24774	7.2
270.04904	2.1
270.17938	4.4
270.21582	3.7
291.78281	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
56.66991	0.3
63.02268	4.1
65.00196	7.1
67.01782	0.5
69.03317	1.6
69.58958	1.5
69.59364	0.8
70.53930	0.3
75.95186	0.3
79.01781	0.9
83.01260	4.9
93.03335	5.5
95.01265	7.8
96.99156	0.5
97.02814	1.1
104.78680	0.3
106.04141	0.5
107.01273	16.3
108.02103	2.2
109.02837	1.0
119.04919	31.5
120.05224	1.1
121.02840	1.5
123.00774	1.5
123.04382	0.9
125.02330	1.2
133.02861	0.9
138.03134	0.7
139.00223	0.4
143.04904	0.6
145.02827	0.9
151.00279	29.7
152.00587	0.6
158.03691	0.4
161.05977	0.5
165.01839	1.3
166.02109	0.4
169.01347	1.7
169.06517	0.8
171.04422	0.9
172.05095	0.4
177.01852	4.3
181.26007	0.3
185.05905	1.6
187.03906	1.2
195.04442	1.0
196.05226	1.9
197.06010	5.2
198.03128	1.0
199.03989	2.2
211.03900	0.5
212.04706	3.1
213.05484	3.4
214.06166	0.4
223.03979	1.0
224.04747	0.9
225.05444	1.1
226.02626	0.4
227.06953	1.6
228.07875	23.8
229.08212	1.7
240.04254	16.2
241.05026	12.1
242.05403	0.7
255.06602	21.7
256.07373	17.9
257.07672	1.3
271.06158	42.8
271.09741	100.0
271.22733	0.9
272.06485	3.2
272.10074	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.4
63.02270	11.1
65.00195	20.2
66.00547	0.8
71.53571	1.5
72.99181	0.7
83.01257	15.9
93.03336	18.2
93.03927	1.2
95.01286	0.8
107.01273	31.5
108.02048	3.0
109.02822	5.0
117.03320	1.2
119.04916	91.5
120.05247	3.0
125.02302	4.6
143.04973	1.3
145.02855	2.4
151.00275	75.3
152.00595	2.7
161.05972	1.9
165.01826	4.4
169.01350	5.4
174.01613	1.0
177.01843	10.6
185.05986	2.1
187.03896	4.6
195.04425	7.7
196.39801	0.7
199.04004	1.0
201.05510	0.9
204.93765	0.7
213.05505	9.3
215.03436	0.7
227.03491	0.8
227.07094	1.7
229.05043	0.8
238.06419	1.1
241.05013	32.3
242.05312	1.7
256.07379	27.0
257.07800	2.4
271.02640	9.2
271.06137	100.0
271.09711	26.1
271.22830	2.7
272.03488	1.0
272.06485	7.6
272.09943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.75066	0.4
52.22208	0.4
59.01260	0.5
63.02268	9.9
65.00197	17.6
68.99715	0.5
69.38027	2.9
69.38431	0.7
83.01257	11.7
93.03338	14.2
93.08687	0.4
97.13506	0.4
98.19867	0.8
107.01271	26.9
108.01514	0.7
108.02129	0.7
109.02864	2.3
117.03381	0.5
119.04916	79.2
120.05231	2.8
121.02846	0.9
125.02354	2.6
133.02802	0.5
137.02327	0.6
143.04922	1.7
145.02853	1.6
151.00276	72.1
152.00615	2.7
161.05969	1.5
165.01880	4.1
169.01328	5.5
177.01859	10.0
178.02187	0.5
178.23628	0.4
185.06033	1.3
187.03944	2.6
199.04007	0.4
227.07056	1.8
229.05038	0.8
241.05005	0.7
243.02943	0.4
271.02682	5.8
271.06104	100.0
271.22784	1.2
272.03229	0.6
272.06445	6.6
272.09143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51295	0.4
63.01959	0.3
63.02272	7.4
65.00194	11.4
65.65536	0.4
67.01761	0.8
68.99696	0.5
69.03327	2.3
70.90057	0.9
79.01770	0.9
80.02554	0.5
83.01253	8.4
93.03338	9.6
95.01263	9.0
96.99191	0.8
97.02843	1.2
107.01272	22.0
108.02135	1.9
109.02831	1.0
110.85868	0.4
119.04916	50.2
120.05241	2.1
121.02843	2.4
121.31690	0.4
122.03716	0.4
123.00774	1.3
123.04411	1.1
125.02326	1.4
133.02859	0.8
138.03102	1.5
143.04915	0.8
145.02838	0.8
151.00275	45.2
152.00615	1.3
154.33022	0.4
161.05984	1.0
165.01805	2.4
167.04933	0.4
169.01408	2.0
169.06525	0.7
171.04332	0.7
177.01846	5.8
182.03632	0.5
185.06021	1.6
186.06705	0.5
187.03923	1.4
195.04434	1.0
196.05215	1.8
197.06015	5.4
198.03082	0.5
199.03937	2.3
201.47656	0.4
211.03946	0.8
212.04683	3.7
213.05486	4.0
218.05598	0.5
223.04015	0.8
224.04625	0.9
225.05403	0.6
226.02644	0.4
227.07053	1.8
228.07869	27.8
229.08162	1.9
238.06242	0.5
240.04256	20.2
241.04994	13.2
242.05530	1.1
249.57895	0.4
255.06601	23.3
256.07364	18.4
257.07782	1.7
271.06152	60.8
271.09747	100.0
272.06497	5.0
272.10086	8.8
287.18387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07634	0.2
59.72641	0.2
69.21349	2.2
69.21764	0.3
76.65389	0.2
98.20598	0.5
113.78352	0.2
179.75867	0.3
180.67607	0.3
185.05975	0.6
191.75514	0.2
195.04428	22.4
196.04755	1.7
198.03117	0.3
212.04692	1.2
213.05511	34.1
214.05872	2.3
223.04007	0.8
224.04692	0.3
238.06226	0.5
241.05025	95.2
242.05356	7.1
255.06702	0.8
256.07385	100.0
257.07721	8.3
271.09744	80.9
271.15781	0.5
271.22812	0.4
272.10104	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.3
63.34865	0.3
65.00202	0.3
67.01756	0.3
69.03325	2.1
71.07751	0.4
71.08098	0.5
71.32253	0.3
73.66505	0.3
79.01765	0.6
89.90172	0.3
95.01257	8.0
96.99195	0.7
97.02818	1.1
97.67552	0.3
107.01269	4.7
108.02063	3.5
109.02852	1.9
109.99992	0.5
111.00729	0.4
114.40588	0.4
119.04915	0.5
121.02844	1.9
123.00761	1.3
123.04400	0.9
125.02327	1.5
133.02864	1.0
138.03145	1.8
147.04524	0.4
156.67674	0.3
165.01785	0.3
169.06464	0.8
171.04405	0.6
173.06078	0.3
185.05966	1.1
186.06723	0.4
195.04553	1.9
196.05167	2.3
197.06024	5.4
198.03131	0.6
199.03986	1.7
211.03955	0.7
211.07486	0.4
212.04712	3.2
213.05511	5.0
213.07413	0.6
214.06012	0.7
218.05861	0.6
222.48842	0.3
223.04025	0.9
224.04756	1.1
225.05484	0.9
226.02760	0.3
227.07098	1.4
228.07880	26.0
229.08270	1.9
239.07127	0.4
240.04256	17.8
241.05000	15.9
242.05435	0.5
243.01724	0.3
255.06607	23.3
256.07361	20.5
257.07782	1.2
271.09750	100.0
271.22775	1.5
272.10107	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	271.0977
Annotation	Cordiaquinol I
Peak:m/z	Relative Intensity
59.01252	1.0
64.79423	0.6
65.00194	2.7
70.19623	0.6
71.04847	0.6
71.52850	0.8
89.00201	0.9
97.02836	1.5
108.02062	3.1
109.02860	5.1
111.00715	0.6
119.04902	0.8
121.02842	1.2
123.00746	1.0
124.01550	25.2
125.02374	3.5
139.03871	3.2
151.39844	0.6
152.01062	51.2
153.01405	1.8
165.01822	5.6
173.05952	4.1
195.04382	1.2
209.06050	1.7
210.06828	8.3
211.07312	0.9
211.20670	0.9
213.05495	2.4
237.05568	1.8
238.06314	13.5
239.06897	1.1
241.05023	6.6
242.05334	1.0
253.08672	13.3
254.08833	1.0
256.07373	9.1
271.09753	100.0
271.22784	6.6
272.10123	8.4
275.83749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10147	0.3
59.01249	0.7
60.71827	0.3
80.79622	0.2
93.03355	0.7
94.50747	0.3
95.01257	0.6
97.06499	0.3
108.02055	2.6
109.02843	2.8
112.72837	0.3
125.02344	2.7
139.68922	0.3
157.06500	2.1
175.07576	0.6
185.06000	5.5
186.06227	0.5
195.04460	0.7
196.05081	0.3
211.03954	0.6
212.04715	1.0
213.05530	11.7
214.05789	0.9
224.04758	0.4
228.07913	0.7
229.20099	0.3
240.04245	3.9
241.05032	100.0
242.05370	7.3
242.07678	0.3
255.06583	5.1
256.07382	68.6
257.07721	5.4
271.09756	41.1
271.22769	2.3
272.10037	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1914
Annotation	Rupestrinol
Peak:m/z	Relative Intensity
57.03320	0.3
58.00447	0.3
59.01253	1.4
60.61933	0.2
71.53465	0.3
73.02819	0.6
93.03348	0.3
93.12438	0.2
108.02055	1.6
109.02862	1.4
121.02857	0.3
125.02370	1.3
151.00043	0.2
182.02211	0.3
195.04480	0.6
197.19089	0.3
211.16966	3.8
213.05554	1.5
223.17012	1.6
223.70175	0.2
225.18549	0.5
226.00415	0.2
227.03458	0.4
227.07153	0.4
235.17050	0.8
241.05035	2.2
241.18060	22.2
242.18445	1.6
253.18059	4.6
255.06607	0.3
256.07364	2.5
269.17590	1.2
271.02655	1.3
271.06003	0.9
271.09711	2.5
271.19141	100.0
272.19482	8.0
286.29547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
57.48861	0.5
59.01253	0.6
65.03829	1.5
69.03316	0.5
79.05421	0.7
93.03340	3.2
93.03831	0.5
95.01266	0.5
98.07412	0.5
107.04905	66.4
108.02050	1.3
108.05244	2.0
109.02835	2.1
115.33211	0.4
121.02842	24.6
122.03627	44.0
123.03971	1.5
124.01556	5.9
125.09583	1.0
133.02853	0.6
136.01572	1.2
137.02328	11.8
138.02699	0.7
151.03914	4.5
153.01828	0.8
154.02632	9.0
161.06064	0.5
187.09726	1.2
201.09163	2.6
225.05511	1.0
229.08652	50.8
230.09009	3.8
235.54617	0.4
235.57161	0.5
243.06619	0.8
255.06511	1.4
257.04150	0.6
273.07675	100.0
273.20761	1.3
274.08008	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	273.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80267	0.7
59.01246	0.9
70.65415	1.8
94.05882	0.8
107.04911	2.5
108.02074	4.9
108.13097	0.8
121.02835	2.3
136.01553	7.4
137.02333	1.0
145.06505	2.1
151.03922	3.6
157.06508	1.6
169.06499	3.4
171.04445	1.5
171.08080	8.2
173.05989	3.9
181.06566	1.2
187.07629	2.1
196.05179	1.2
197.04214	1.2
197.06010	24.1
198.06348	1.6
199.07561	8.0
200.04701	2.4
201.05487	5.4
208.05353	0.8
213.05544	1.1
214.06317	5.4
215.07082	15.0
215.17128	0.7
224.04784	6.1
225.05521	50.1
226.06099	6.0
243.06596	82.1
244.06938	5.2
244.95932	0.8
258.08960	100.0
259.09308	6.7
273.03510	1.4
273.08258	1.0
273.11301	20.2
274.11554	1.5
287.98373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89827	0.3
62.44825	0.3
66.10144	0.3
70.13415	0.2
70.36427	0.3
71.07693	0.5
71.85158	0.2
93.03335	2.0
95.01270	1.8
100.64500	0.3
107.04902	0.4
108.02057	0.6
109.02857	0.4
110.00009	0.4
120.02032	0.5
121.02846	21.3
122.03635	37.8
123.00796	0.8
123.03955	1.0
124.01556	4.3
125.02327	0.5
136.01598	1.3
136.05171	1.5
136.99574	0.3
137.02344	9.9
137.05948	1.1
149.02351	3.1
151.03923	13.4
151.07556	5.3
152.04250	0.4
153.01859	2.9
154.02637	8.1
155.02931	0.3
193.07660	0.3
195.06570	2.1
243.06580	0.3
258.08990	6.3
259.09158	0.4
273.11325	100.0
274.11661	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	273.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00875	0.1
56.85852	0.1
59.01254	0.1
59.27460	0.1
65.03835	2.2
67.01765	0.2
71.06564	0.1
71.11337	0.1
74.30786	0.1
79.04964	0.1
79.05402	1.7
81.03305	0.1
96.95843	0.1
98.20599	0.1
106.04047	0.1
107.04910	100.0
108.01998	0.1
108.05239	3.4
121.02837	0.2
122.03626	0.1
123.04398	0.1
136.01479	0.1
137.02348	0.4
151.03893	0.4
159.08064	0.1
253.74722	0.1
255.06555	0.2
273.04211	0.1
273.07791	0.2
273.11325	2.5
273.20764	0.4
274.11606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13796	0.3
50.64560	0.3
52.01107	0.4
58.44778	0.3
71.52388	0.4
71.52883	0.6
74.44080	0.4
93.03336	11.5
94.03683	0.6
95.01252	1.2
108.02056	2.4
109.02863	1.0
121.02847	98.0
122.03748	9.8
123.00780	0.6
123.03959	0.5
125.02343	0.6
131.07108	0.3
136.01576	1.0
136.05228	0.6
137.02347	1.0
137.05962	0.6
146.07253	0.4
149.02344	2.7
151.02699	0.5
151.03909	9.1
151.07547	3.2
153.01842	0.9
195.06567	1.8
225.05527	0.5
258.08951	6.0
259.09579	0.7
271.09842	0.5
272.10556	0.7
273.11325	100.0
274.11627	8.1
287.09299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35463	0.2
65.03829	2.2
74.83493	0.2
79.05415	1.5
85.02861	0.1
85.06453	0.2
89.81766	0.2
93.03326	0.2
98.19736	0.4
102.42873	0.2
107.04903	100.0
108.05233	3.5
112.23155	0.2
121.02837	15.0
122.03703	0.5
137.02344	0.5
137.05113	0.2
137.05980	1.7
151.03894	1.1
151.07539	0.6
213.02106	0.2
255.19676	0.3
273.11310	7.7
273.17496	0.4
273.20724	1.7
274.11670	0.4
294.27170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1133
Annotation	CHEBI:70157
Peak:m/z	Relative Intensity
60.29798	0.5
66.06183	0.6
70.57343	0.5
93.03304	0.6
103.99245	0.5
107.04914	0.6
108.02049	0.8
121.02846	6.8
122.03629	58.6
123.00805	1.4
123.03952	2.1
124.01585	2.7
132.69147	0.5
136.01561	10.6
137.02390	0.5
137.06023	0.7
139.76465	0.5
148.21010	0.6
151.03886	2.4
151.07529	0.7
153.01842	0.6
243.06622	1.0
258.08939	1.8
273.11325	100.0
274.11694	7.8
288.24973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1134
Annotation	Stilbostemin E
Peak:m/z	Relative Intensity
50.86974	0.3
59.01250	0.2
64.81137	0.3
68.99673	0.4
71.53278	0.4
88.65671	0.3
93.03333	8.9
95.01263	3.3
105.67999	0.3
107.04898	1.3
108.02068	0.5
109.02843	0.5
111.00778	0.8
120.02062	0.6
121.02843	100.0
122.03095	2.7
123.00755	1.8
125.02351	1.4
136.01561	0.9
136.05193	0.9
138.03134	0.3
141.04259	0.3
149.02351	5.7
151.03917	24.0
152.04240	0.7
153.01839	3.9
160.84464	0.3
167.03439	0.5
241.97293	0.3
243.06584	0.4
257.08118	0.6
258.08957	38.4
259.09286	2.5
273.11322	47.4
274.11685	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	273.1134
Annotation	3,4-Dihydroxy-3',5'-dimethoxybibenzyl
Peak:m/z	Relative Intensity
52.38578	0.9
64.58048	0.8
68.99592	0.8
71.51485	1.2
72.48353	0.9
78.69192	0.9
79.86282	0.9
93.03344	3.3
95.01260	1.3
105.01670	0.8
107.04904	2.6
108.02048	2.6
109.02840	1.8
119.68593	0.8
121.02854	23.7
122.03674	33.9
124.01580	2.5
136.01566	8.2
137.02351	6.7
149.02368	1.4
151.03909	12.6
151.07561	2.8
154.02628	1.8
157.06540	1.1
171.08038	2.0
173.05966	1.5
187.07591	1.5
195.06651	1.0
195.11150	1.1
197.06052	10.9
199.03999	0.9
199.07605	3.0
200.04736	1.3
201.05513	1.1
214.06329	1.7
215.07124	6.3
224.04749	2.0
225.05521	23.3
226.06108	2.4
226.61510	0.9
243.06599	25.6
244.06938	2.9
258.08975	44.7
259.09308	2.5
259.59653	0.9
273.11322	100.0
274.11737	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	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01009	1.1
59.01341	5.7
60.97470	0.5
68.35044	0.5
71.01327	0.7
71.37514	0.4
77.62947	0.5
103.02170	0.5
113.02439	0.4
121.03164	4.9
137.01498	0.5
146.99359	0.5
147.08379	4.2
149.00934	0.8
165.00356	10.5
166.00403	0.9
180.99921	0.9
183.01472	1.0
189.04028	1.4
191.05580	11.1
192.05656	0.7
205.04689	0.4
205.07195	1.5
205.16002	1.2
207.05077	0.8
217.07167	1.0
231.08734	1.7
233.10303	100.0
234.10468	9.7
259.15482	1.7
277.16528	82.2
277.21362	26.1
278.16696	10.3
278.21863	1.9
299.90656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.19049	0.2
59.01245	2.3
64.92444	0.1
70.28941	0.4
71.01260	0.5
73.37881	0.2
82.59566	0.2
83.04874	0.2
98.19820	0.2
102.78046	0.2
127.07557	0.4
149.81094	0.2
205.15907	0.3
233.19131	0.2
233.22697	0.5
241.15062	0.2
259.20599	0.5
275.20044	0.4
277.21710	100.0
278.22052	8.8
297.55200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
62.98264	0.2
69.16223	0.2
70.27568	0.7
71.01242	0.8
79.95564	0.2
83.01231	0.2
83.04883	0.3
84.20905	0.2
89.04639	0.2
90.11137	0.2
107.21254	0.2
110.87325	0.2
115.03895	0.2
127.07533	0.4
133.06516	0.2
205.15973	0.4
217.07076	0.5
233.19160	0.2
233.22707	0.5
259.20679	0.5
275.20071	0.5
277.18515	4.4
277.21722	100.0
278.18903	0.4
278.22070	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.00660	0.4
55.36001	0.4
59.01243	1.2
69.53386	3.2
71.01294	0.5
80.82024	0.4
120.32264	0.4
135.72079	0.5
155.67349	0.5
236.55008	0.5
259.20901	0.5
277.21729	100.0
278.22083	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
56.95446	0.3
58.00797	0.3
59.01253	0.7
69.52905	1.4
69.53307	0.7
78.47398	0.3
97.00903	0.3
112.37840	0.3
124.44892	0.3
138.13411	0.3
152.67831	0.3
155.27327	0.3
160.62869	0.3
254.02049	0.3
261.22336	0.6
279.23288	100.0
280.23618	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	280.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26858	0.3
57.03313	1.4
58.02852	0.3
59.01255	3.4
63.80257	0.3
66.03342	0.5
68.01290	2.0
68.99678	0.4
70.02852	5.7
70.71732	1.1
71.01260	1.8
73.02828	0.6
81.02079	0.4
84.00787	1.9
85.02834	0.5
94.02826	0.4
97.01575	13.4
98.03610	0.5
101.02302	0.9
101.47102	0.3
107.03664	2.7
107.04893	0.6
109.01609	0.6
109.02847	2.8
110.02364	1.0
113.02312	0.4
119.03401	0.5
120.04438	1.4
120.05697	0.3
122.02382	0.7
123.03149	1.2
124.04005	0.4
125.04707	1.8
139.02673	0.3
161.04436	0.6
179.74643	0.4
185.61116	0.4
197.70656	0.3
209.19016	1.9
211.20625	10.7
212.21042	0.7
219.17438	0.3
223.20624	1.1
225.20280	0.5
225.22221	2.4
225.24132	0.4
233.19083	3.5
234.22211	1.9
236.23740	0.4
245.19038	0.4
250.21704	1.8
251.20090	0.4
252.23309	11.6
253.21628	4.1
253.23668	0.5
254.22061	0.5
262.21738	12.5
263.19943	2.5
263.22562	0.6
264.20340	0.4
268.22833	0.6
278.21228	4.6
279.21906	0.5
280.22815	100.0
281.22980	7.5
289.61353	0.4
290.15570	0.4
294.20712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.4
59.01250	26.1
70.16320	0.4
70.81592	0.9
71.01248	2.1
72.99184	0.8
73.02826	0.6
85.02839	0.6
86.23081	0.4
93.03335	0.6
100.97414	0.5
101.02322	0.8
113.02348	0.9
119.03384	0.5
119.08567	6.6
121.06463	1.6
133.23254	0.4
137.09618	42.4
138.09959	1.7
149.09604	1.4
161.09634	2.7
167.14310	0.8
169.78960	0.4
170.89487	0.4
176.43198	0.4
177.12769	6.6
221.09785	0.9
221.11772	6.9
222.12178	0.6
222.55800	0.4
231.76091	0.4
239.12848	100.0
240.13200	7.4
252.60902	0.4
281.14069	5.8
281.24887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97263	0.4
59.01235	0.8
59.89446	0.4
61.65087	0.5
70.81236	0.8
86.33720	0.5
87.69794	0.4
98.20471	0.5
98.80927	0.5
145.46292	0.4
151.45259	0.5
182.03685	4.3
210.03163	76.7
211.03560	4.7
222.14317	0.4
225.05522	37.6
226.05922	2.7
238.02678	39.1
239.03122	2.3
253.05029	97.5
254.05367	6.2
267.06601	0.7
268.07397	100.0
269.07718	6.9
283.09750	17.2
283.26373	12.2
284.10031	1.1
284.26578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.9
62.49540	0.6
67.86834	0.6
69.42416	2.3
69.42836	1.9
89.02357	0.5
92.65622	0.6
149.42313	0.6
182.03622	3.9
210.03165	33.4
211.03464	1.3
225.05521	84.9
226.05830	5.1
238.02597	4.4
253.05029	74.0
254.05360	5.2
267.06647	0.9
268.07397	100.0
269.07706	7.2
281.08163	0.6
283.09741	66.2
283.26389	14.5
284.10141	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	285.0405
Annotation	Fisetin
Peak:m/z	Relative Intensity
57.68251	0.2
58.82411	0.1
59.01211	0.2
63.02269	1.2
65.00192	1.2
65.03828	0.2
66.16749	0.2
67.01753	0.2
71.09123	0.4
79.01758	0.2
81.72444	0.2
83.01245	1.2
91.01750	0.3
93.03333	2.9
95.01246	0.4
97.97899	0.2
104.90264	0.1
107.01281	2.3
108.02045	1.2
109.02850	1.0
117.03355	1.1
119.01208	0.2
121.02850	0.3
123.00768	0.4
123.04398	0.6
130.04141	0.5
131.04915	0.4
133.02841	0.4
135.00764	0.6
136.01524	0.6
137.02322	0.6
141.07013	0.3
143.04938	1.6
145.02843	1.1
147.04366	0.2
151.00261	2.7
151.92596	0.2
152.05908	0.2
154.04137	1.2
155.04918	0.7
156.05629	0.2
157.02859	0.3
157.06473	0.6
158.03636	0.4
159.04417	1.6
161.02345	0.7
163.00262	0.9
164.01086	1.7
165.01839	0.5
167.04900	0.6
168.05698	0.4
169.01314	0.4
169.06517	1.2
171.04456	1.6
173.02347	0.5
173.05836	0.2
175.07597	0.2
182.03549	0.2
183.04483	0.5
184.05185	0.5
185.05995	2.2
186.06395	0.3
187.03926	2.4
189.05490	0.3
195.04376	0.4
196.00101	0.7
196.05147	0.2
197.05949	0.3
198.03105	0.2
199.03944	0.6
201.05521	0.5
211.03899	1.4
211.13239	0.2
212.04559	0.3
212.65521	0.2
213.05464	0.9
214.02670	0.9
215.03371	1.0
219.02792	0.2
227.03459	1.3
228.03972	0.3
229.04991	2.3
239.03427	1.7
240.04199	0.4
241.04964	0.4
241.70110	0.2
243.02963	0.6
243.06465	0.3
255.02934	0.8
256.03729	0.3
257.04514	1.2
267.03046	0.2
268.03629	0.3
270.05362	0.3
272.52756	0.2
284.26880	0.5
285.04047	100.0
285.07516	4.8
286.04385	8.7
286.07773	0.4
296.60876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
63.02206	0.4
71.53169	0.5
77.94739	0.5
94.03869	0.6
107.01239	0.5
107.18181	0.5
123.04402	0.7
150.90291	0.5
151.00156	0.6
155.04993	0.9
159.04474	0.6
171.04535	0.6
182.03682	3.5
183.04404	1.4
185.05855	0.5
187.03989	0.8
198.03070	0.6
199.03912	3.3
210.03171	4.8
211.03903	3.8
211.13316	3.5
214.02570	1.1
215.03558	0.6
221.16969	0.5
226.02670	1.4
227.03447	43.6
228.03743	2.7
229.05165	0.7
235.69771	0.5
238.02673	7.6
239.03430	5.1
240.04060	0.6
241.04964	0.8
242.02142	1.2
242.06119	0.6
253.05045	7.7
254.02159	0.7
254.05743	3.7
255.02974	98.7
256.03308	7.6
257.04590	0.6
270.05331	100.0
271.05701	7.8
284.26907	2.4
285.04059	27.0
285.07675	33.2
285.20886	1.0
285.26956	1.0
286.04401	3.1
286.08029	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.5
57.51059	0.4
58.00469	1.7
59.01247	10.5
61.07021	0.4
69.03327	0.7
71.01253	25.3
71.04895	0.6
71.53523	0.5
72.02042	0.8
72.99181	1.4
73.02818	31.3
74.03169	0.5
78.74590	0.4
78.91119	0.4
81.03314	0.5
83.04895	1.6
85.02826	4.3
87.04388	2.7
97.06464	2.2
98.03645	0.5
99.04391	9.9
103.03899	4.2
121.10110	0.6
127.07524	1.0
130.08629	0.7
137.09607	0.4
141.09138	0.7
149.09627	0.4
159.11568	0.4
165.12744	0.9
167.14363	0.4
167.28511	0.3
175.14868	0.8
177.12772	0.7
181.12234	2.2
187.14819	1.0
193.15930	3.4
195.13805	4.1
199.18080	0.8
205.15936	1.3
207.13782	1.2
209.15419	2.8
223.13356	1.0
239.12981	0.7
241.09830	1.5
241.18031	1.5
243.12312	3.8
253.14326	0.6
285.04141	2.9
285.17059	100.0
286.17407	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	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.74568	0.4
69.23868	2.4
69.24297	1.3
70.02844	1.0
71.62442	0.4
74.05996	2.1
102.76069	0.3
118.04997	1.3
125.02313	0.7
163.60445	0.4
207.52148	0.4
211.44119	0.4
240.23279	3.6
242.21231	1.9
242.24818	0.7
253.54443	0.4
268.22885	1.3
284.22342	0.5
286.23880	100.0
287.16589	0.4
287.24203	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	287.0563
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
52.72969	0.3
57.03333	0.4
63.02267	2.7
64.63013	0.3
65.00195	11.0
71.10416	0.8
83.01257	5.2
107.01277	14.3
107.04910	0.5
108.99164	0.5
109.02832	1.9
117.03329	0.3
125.02338	3.7
133.02841	0.3
134.03644	1.8
135.04414	100.0
136.04753	3.5
137.02351	0.7
151.00275	76.8
152.00610	2.7
161.02354	1.1
169.01329	1.7
177.01790	0.4
183.52986	0.3
201.05544	0.5
221.45689	0.3
226.02319	0.3
259.06082	0.6
269.04587	0.8
287.05615	10.9
287.18732	0.4
288.06036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
50.13552	0.7
53.86743	0.7
57.03327	14.8
59.01252	1.6
61.98692	0.7
63.02269	4.7
65.00197	8.7
66.41460	0.7
68.99679	0.7
71.52547	0.6
81.03320	4.3
83.01254	11.9
90.98479	1.2
93.03325	3.4
95.01297	1.0
95.04874	1.1
103.01283	0.7
107.01270	6.8
107.04894	1.4
109.02844	4.8
111.00765	1.3
116.66241	0.6
121.02850	1.8
123.00704	1.4
123.04434	2.1
124.01540	3.3
125.02339	100.0
126.02685	2.6
130.04088	1.0
131.04919	1.9
133.02853	3.2
134.03638	0.8
135.04419	2.8
137.02350	2.0
149.02341	1.1
151.00288	14.0
152.01067	7.4
153.01836	2.6
155.10690	1.5
156.05676	0.8
157.06517	1.7
158.03548	0.8
159.04424	1.9
165.01855	1.5
169.01398	1.2
172.05215	2.2
173.05975	5.9
175.03885	1.4
177.05489	14.6
177.06912	1.3
178.05785	1.1
178.99774	7.4
197.06078	1.1
199.07594	2.9
199.09521	0.8
200.04645	1.0
201.05510	10.3
203.03476	1.2
213.05481	1.4
215.07133	4.7
219.06628	2.1
225.05482	1.0
229.14362	1.5
241.05046	2.2
243.06580	16.9
244.07018	1.2
259.06104	83.7
260.06503	4.9
269.04456	3.6
272.06973	1.1
287.05618	59.7
287.08990	2.4
287.12747	2.1
287.18631	4.3
288.05963	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79478	3.8
57.03317	10.6
59.12581	3.2
69.03300	4.2
71.07681	8.0
83.01269	17.2
86.15865	3.4
93.03335	12.4
95.01283	7.4
107.04898	6.3
109.02836	37.8
121.02859	24.0
123.04424	5.7
124.01541	16.6
125.02331	83.2
135.04353	10.9
137.02341	83.2
147.04428	15.5
149.02362	36.1
150.03145	19.6
151.03905	18.4
158.03581	4.4
159.04404	29.6
159.88141	3.4
161.02353	24.2
162.03133	4.7
164.01033	11.3
165.01863	25.6
166.98405	3.5
172.05145	5.3
173.05954	27.6
174.03108	11.5
175.03920	67.8
176.04601	6.6
177.01840	10.3
177.05486	15.7
183.04378	9.7
189.05461	14.2
191.07036	7.7
197.05991	8.9
199.03879	8.6
200.04660	6.2
200.84927	3.6
201.01923	6.5
201.05518	60.7
202.05908	4.4
202.76886	3.6
203.03426	18.9
204.04045	4.7
213.05598	6.1
215.07042	17.1
217.04961	17.7
219.06577	26.7
225.05487	12.7
227.03583	5.5
241.04984	10.3
243.02904	9.6
243.06558	29.3
245.04466	10.8
258.05267	10.6
259.06107	72.2
269.04584	17.1
281.90543	3.7
287.05606	100.0
287.08667	3.4
288.05927	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	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
51.79065	0.3
59.01244	0.6
69.21543	2.2
69.21961	1.0
71.57733	0.3
72.99181	44.0
73.99515	0.4
75.00745	16.8
76.01080	0.3
76.03204	0.3
80.58398	0.4
89.77656	0.3
93.73281	0.3
125.02279	0.6
143.39560	0.4
147.06459	0.4
184.29675	0.4
211.20583	2.8
225.22214	0.7
241.21695	2.4
287.22281	100.0
288.22601	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01250	0.6
61.98692	0.2
62.08006	0.2
62.31213	0.2
65.82671	0.2
71.39161	0.3
71.39513	0.3
81.03341	1.4
83.01258	0.3
87.61010	0.3
92.04937	0.8
93.03331	1.9
95.04889	0.4
97.02811	0.5
100.12463	0.2
107.03673	0.5
108.02055	0.7
108.04435	5.1
109.02840	5.9
109.04742	0.3
121.02830	0.6
123.04430	1.5
124.01527	0.5
125.02348	1.2
134.02377	39.2
135.03195	7.9
136.03944	38.6
137.02351	2.0
137.04272	1.1
148.03951	0.7
149.04741	1.5
151.03912	0.8
161.05943	0.5
165.01790	0.4
176.03450	5.3
177.04065	0.8
179.03410	0.4
188.04695	0.4
190.04999	0.8
203.07060	0.7
204.06589	0.6
205.04965	0.6
245.08083	1.5
260.16614	0.4
288.16058	100.0
289.07230	4.1
289.16367	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	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	11.2
58.14491	3.2
69.23947	13.7
69.24373	14.6
71.63374	2.6
81.03336	11.0
83.01262	10.0
93.03363	4.4
95.04910	13.1
97.02834	25.6
98.19719	6.5
108.02089	3.9
109.02843	100.0
110.03190	5.3
121.02862	11.5
122.03657	4.6
123.04399	56.1
125.02338	66.0
126.02677	4.1
135.04395	7.3
137.02364	26.5
138.03212	3.1
139.03894	13.8
149.02316	19.2
151.03937	34.1
159.04480	8.3
159.85048	3.0
160.05290	3.4
161.02429	4.2
161.05954	17.8
162.03178	5.2
164.01060	10.2
165.01810	12.5
166.02664	4.0
167.03481	5.6
175.03984	8.7
175.07504	8.3
179.03436	15.7
182.08878	3.2
187.03929	17.4
188.04817	14.5
202.06210	6.6
203.07060	43.3
205.05029	20.6
221.08130	19.9
221.20070	3.1
227.07112	8.1
230.05867	4.8
245.08167	33.0
246.08559	3.6
289.07193	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	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03322	17.7
62.40142	1.2
63.79864	1.3
69.03318	4.7
69.71465	6.9
74.00768	1.2
75.61641	1.3
80.02566	2.9
81.03328	14.5
83.01264	13.3
93.03340	8.1
95.01242	3.5
95.04902	18.3
97.02834	28.0
105.03311	2.4
107.04882	2.8
108.02040	6.1
109.02834	100.0
110.03171	2.4
116.10732	1.5
117.03316	3.2
118.78091	1.4
121.02839	13.9
121.97402	1.6
122.03653	9.6
123.04414	85.6
124.01564	1.6
125.02338	35.8
135.04404	8.9
137.02341	26.5
138.03101	4.2
139.03897	13.8
145.02829	7.3
146.03639	7.9
147.04385	3.0
149.02325	9.5
150.03076	7.1
151.03929	22.7
157.06529	1.8
158.03641	2.1
159.04453	14.4
160.05180	5.4
161.02330	2.1
161.05988	10.7
162.03119	4.4
163.03893	4.6
164.01031	8.9
165.01889	7.2
166.02620	1.3
167.03394	2.0
173.05998	5.2
174.03004	2.5
175.03938	4.3
175.07555	7.9
177.05498	3.3
179.03374	5.1
185.05956	3.0
187.03958	10.4
188.04698	7.6
201.05507	4.3
201.51767	1.3
202.06194	4.0
203.07069	15.6
205.05014	9.3
212.04727	1.5
221.08113	5.0
245.08157	30.5
246.08475	3.6
289.07172	81.3
290.07330	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	16.4
57.88374	3.6
69.03323	3.9
69.87556	17.4
69.87939	7.5
81.03319	13.9
83.01258	13.0
93.03328	12.0
95.04913	14.1
97.02824	34.5
98.20440	5.3
108.02023	6.5
109.02839	100.0
121.02821	17.6
122.03564	9.0
123.04410	82.0
125.02341	54.2
135.04451	5.6
137.02341	33.7
138.03198	4.8
139.03900	16.0
140.89668	3.6
143.69424	3.9
145.02887	6.4
146.03654	5.6
149.02313	14.8
150.03117	7.1
151.03905	33.2
153.89862	3.6
157.06732	4.4
159.04427	13.0
160.05193	7.5
161.05965	16.6
163.03908	8.5
164.01071	13.1
165.01834	8.8
170.57324	4.0
174.03239	4.2
175.03874	5.8
175.07524	14.4
187.03888	11.3
188.04723	11.6
196.94466	4.2
203.07065	25.4
205.05070	9.8
221.07971	9.6
237.14537	4.2
245.08162	23.4
275.01791	4.4
289.07153	53.8
290.07425	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	289.1197
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
64.01762	0.7
69.43095	3.9
78.03387	0.8
79.40304	0.6
80.04916	2.3
81.03351	0.6
83.01248	1.0
92.04931	6.2
94.02861	0.8
94.06500	15.8
94.07075	1.3
95.04913	2.1
97.02860	1.9
101.82545	0.6
104.04925	6.2
105.03341	4.7
106.06506	50.1
107.03651	2.2
107.06846	1.8
108.04424	5.1
109.02834	4.9
110.02328	1.0
110.06001	0.7
120.04438	20.0
120.05283	1.1
121.02911	0.9
121.05287	5.4
122.02407	1.8
122.06010	50.9
123.03158	9.4
123.04434	3.5
123.06374	1.9
124.01535	0.7
124.07581	2.3
125.02335	2.6
125.09560	0.8
131.03664	1.5
132.04451	12.7
133.04836	0.7
135.03114	1.4
136.03932	2.4
137.02370	1.7
138.05507	93.9
139.02650	0.6
139.05856	3.2
140.07062	4.5
144.08121	1.4
146.06041	0.7
148.03963	4.9
150.05507	29.9
151.00310	1.3
151.03958	1.2
151.05899	0.9
152.01086	2.3
152.03479	0.6
158.09697	1.3
159.04384	0.7
159.06804	3.8
161.02489	0.8
164.01134	0.7
164.03389	1.7
165.01825	0.9
166.05006	8.0
168.06540	0.7
172.07611	1.3
173.06056	0.6
173.08366	3.8
174.12843	4.4
184.11223	3.0
186.09201	0.9
187.09831	2.5
188.04445	0.7
188.07092	3.8
188.10686	1.0
189.07878	9.6
197.07175	1.8
198.07950	1.7
199.08734	0.6
200.05862	1.7
200.09348	1.4
200.10956	1.0
201.06671	0.8
202.08665	2.3
202.12302	9.2
203.07060	1.7
203.09433	2.2
205.04964	0.9
212.09492	1.9
213.06612	5.3
214.07175	1.5
215.11829	8.6
217.07397	17.6
218.07809	0.8
218.11819	1.7
221.44542	0.7
225.10182	0.8
226.07416	2.6
227.08167	2.8
227.11839	2.9
228.09050	3.2
229.09708	4.1
231.08978	8.1
231.11353	3.6
241.06065	1.4
241.09807	16.3
242.06837	1.4
242.10262	2.0
243.11345	16.1
244.11650	0.7
245.08249	2.5
246.11328	10.9
253.09700	0.9
256.08554	1.4
259.10828	8.5
271.10867	28.3
272.11215	2.2
289.07242	11.3
289.11942	100.0
290.07559	1.0
290.08884	0.7
290.12225	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
56.15421	0.2
59.01249	0.5
63.98278	0.2
64.36591	0.3
68.60344	0.2
68.93728	0.3
76.04564	0.3
77.77441	0.3
94.47073	0.3
94.63760	0.3
95.04896	0.4
97.06466	0.3
106.04127	0.3
117.56000	0.3
119.04935	0.4
125.05949	0.5
148.08862	1.6
149.09645	0.3
150.10406	1.3
151.11221	0.6
163.11188	1.5
164.34081	0.3
165.12769	23.3
166.13142	1.3
175.11218	0.8
176.11971	0.7
177.12733	0.4
191.14337	0.5
193.15996	0.3
202.09929	0.3
217.15944	0.4
229.19820	0.4
247.20645	11.4
248.20976	1.0
257.91461	0.2
273.18619	6.3
274.18985	0.7
276.06796	0.3
291.19666	100.0
292.19989	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80614	0.4
57.03312	1.7
59.01239	0.7
69.03330	0.4
69.39977	3.1
83.04886	0.7
93.06960	1.7
97.06466	2.0
111.08033	1.0
121.10122	14.6
122.10489	0.5
123.08043	1.3
125.09619	7.4
141.12744	1.4
147.08028	1.3
165.12793	0.7
185.11763	15.0
186.12096	0.7
197.11826	3.3
209.11823	2.0
211.13368	1.3
223.13350	1.1
247.13396	0.7
247.20699	1.1
252.80302	0.4
273.18652	1.8
291.19666	100.0
292.19977	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
59.01258	3.1
62.24863	0.5
64.53469	0.5
65.29014	0.5
72.86845	0.5
80.81980	0.5
83.04895	1.0
93.03352	0.7
95.04906	1.1
97.06477	0.7
111.08041	14.5
113.09625	0.9
137.09599	1.5
148.48926	0.5
149.09630	1.3
165.12726	0.7
165.82149	0.5
167.10703	2.3
177.12775	2.2
179.10716	2.5
195.13855	9.2
196.14151	0.8
247.20721	2.6
248.90802	0.5
273.18579	2.4
291.19666	100.0
292.20035	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	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.31597	0.4
53.98420	0.4
57.34908	0.4
59.01237	0.5
65.25120	0.4
65.37072	0.4
69.86775	1.8
73.02819	61.6
74.03158	1.1
74.14927	0.4
81.39552	0.4
98.19883	0.6
100.80379	0.4
159.79884	0.4
291.19659	100.0
292.20007	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	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70572	0.5
58.02826	1.0
59.01250	2.3
65.51099	0.5
65.58967	0.5
71.01244	2.1
71.52355	0.5
71.52761	0.6
83.13215	0.5
86.83167	0.5
89.02328	1.1
101.02307	1.1
101.94958	0.5
113.02376	0.5
134.29507	0.6
156.13847	100.0
157.14206	4.8
161.04465	0.9
164.83788	0.5
173.36183	0.6
192.11467	0.7
200.12878	5.7
220.14677	2.7
221.15454	6.2
236.10471	4.2
273.07394	0.5
284.90433	0.5
292.19983	2.2
293.08792	2.6
293.17789	0.8
293.21182	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	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
58.02836	0.9
59.01258	2.6
68.02417	0.8
71.01253	2.0
71.51921	0.7
73.93884	0.5
79.86349	0.5
85.02814	0.9
89.02331	1.0
101.02344	0.6
108.04428	0.8
156.13850	100.0
157.14171	4.8
161.04510	0.9
197.17525	0.6
200.12869	7.4
220.14655	2.4
221.15424	4.9
236.10558	3.1
292.09302	1.0
292.19977	4.0
293.08951	2.6
293.14169	0.8
293.21216	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1187
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
57.04560	0.7
59.01252	4.0
61.98710	0.8
70.50662	0.7
70.51006	2.1
71.01257	3.9
73.02827	1.1
85.02829	1.2
89.02328	3.1
93.03338	5.6
96.87746	0.6
97.02809	0.9
101.02312	1.0
101.63078	0.7
117.03378	1.0
119.04922	100.0
119.45419	0.6
120.05235	4.5
121.02853	1.4
130.04126	2.3
131.03386	0.8
138.34521	0.8
143.04933	10.3
145.06494	6.7
159.08089	0.6
161.04422	1.4
171.04462	1.3
172.05199	4.1
185.05983	3.2
187.07581	61.3
188.07935	3.3
226.65947	0.7
273.24875	0.7
293.08838	5.3
293.11819	63.3
293.17535	4.1
293.21204	3.2
294.12128	6.6
294.20984	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	293.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	25.5
59.13605	1.3
61.98700	1.4
69.83473	8.6
71.01248	16.3
72.99182	2.2
73.02821	3.2
82.84496	1.6
83.01263	2.1
85.02829	1.6
89.02286	7.3
98.19928	2.0
101.02302	2.3
108.78489	1.7
112.46122	1.4
113.02348	2.1
119.04934	3.0
127.07473	2.4
131.03462	2.3
151.38914	1.8
161.04440	4.0
177.09183	3.6
192.11487	7.6
195.13760	2.5
205.12270	6.3
207.13857	3.0
217.07072	2.8
220.14650	46.6
221.15425	100.0
222.15703	3.3
233.10329	4.6
236.10506	78.8
237.10965	4.6
275.20349	2.8
293.08994	9.5
293.17578	9.2
293.21179	17.2
294.21539	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	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
71.01251	8.6
75.55422	0.3
85.02889	0.3
89.02311	0.5
112.57342	0.3
127.07541	0.8
148.05202	1.0
151.07561	0.5
164.08363	1.4
177.09128	5.1
190.10013	0.3
191.10661	0.3
192.11488	7.4
192.13257	0.4
193.12015	0.5
205.12271	8.1
206.12624	0.6
207.13795	1.8
217.08765	0.3
218.09418	2.4
220.14635	49.8
221.15407	100.0
222.15755	6.2
235.13322	1.6
236.10497	71.3
237.10893	5.4
244.28772	0.3
253.14684	0.3
293.08813	0.3
293.17651	7.5
293.21179	1.1
294.17972	1.1
299.64850	0.3
307.03943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.9
59.01259	5.6
64.23106	0.7
67.50116	0.8
71.01245	2.2
71.04888	5.4
75.45036	0.8
85.06454	0.7
87.04396	0.9
87.11919	1.0
89.02315	1.4
97.06504	0.9
101.02340	0.8
113.09628	1.5
131.03320	0.8
145.44086	0.8
161.04503	1.0
177.16464	0.9
186.51889	0.7
191.17989	0.9
195.13771	1.2
209.15459	2.7
211.01018	1.5
219.07083	0.8
220.14630	0.9
221.15433	4.2
223.16966	7.9
229.93031	0.8
231.21150	2.8
235.17004	41.4
236.10489	3.0
236.17302	2.4
249.22162	0.8
275.20157	47.9
276.20496	4.9
293.08896	25.7
293.21222	100.0
294.09055	2.8
294.21533	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	293.2123
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
57.03320	1.1
59.01260	5.8
69.03333	1.3
69.82677	1.1
71.01258	3.2
71.32343	1.4
72.99172	1.1
74.39806	1.0
89.02311	1.2
95.38786	1.2
96.95846	1.3
121.10119	48.5
122.10454	2.2
125.09589	1.6
127.07554	1.2
135.60512	1.2
141.12764	1.7
171.10185	80.5
172.10501	3.1
183.10246	5.4
183.13844	12.0
185.11703	4.2
193.15952	1.4
211.13306	4.2
221.15405	2.9
231.21181	4.4
235.17006	3.0
236.10486	2.7
275.20160	100.0
276.20505	10.6
293.08716	1.5
293.21222	94.3
294.21408	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	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01264	1.0
63.55452	0.6
66.37516	0.7
68.70597	0.6
70.38385	1.5
70.38783	1.4
76.70247	0.7
78.36188	0.7
139.79312	0.7
163.52606	0.7
179.14351	1.0
189.52330	0.6
195.13849	14.7
196.14410	2.4
198.94464	0.7
205.12233	1.6
211.13419	0.9
215.48079	0.7
223.13351	12.4
224.13760	1.2
228.13570	1.6
239.12862	0.6
249.57423	0.7
256.13120	5.8
257.13565	0.8
275.20145	11.4
293.21222	100.0
294.21545	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05424	0.7
57.03323	4.7
59.01256	3.7
61.98689	0.5
68.95554	0.5
71.01257	1.4
89.02322	0.6
96.95888	1.7
113.09618	17.1
121.10124	1.8
139.11172	2.0
141.09161	0.5
161.04475	0.6
167.10741	1.6
171.10165	4.6
177.12759	1.1
179.10689	1.8
195.13849	3.0
220.14606	0.8
221.15392	1.5
235.17021	0.5
236.10423	1.4
249.22227	1.5
267.65643	0.5
275.20132	5.5
293.08939	1.5
293.21222	100.0
294.21564	8.1
307.88165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32766	0.4
57.03321	1.5
59.01247	2.1
63.14525	0.4
68.94658	0.5
69.03325	0.5
70.99402	0.9
71.01250	1.2
76.48933	0.4
85.02830	0.5
89.02320	1.0
96.95868	0.7
97.06458	1.4
113.09583	0.5
115.40252	0.4
118.88747	0.4
123.08015	0.9
125.09618	4.5
126.29136	0.4
131.13661	0.4
141.12744	1.1
145.41997	0.5
149.09628	1.6
157.31995	0.4
161.04489	0.7
177.12724	0.5
183.13936	0.5
185.11763	10.5
195.13800	1.0
197.11794	2.5
220.14751	0.5
221.15393	2.1
236.10634	0.7
249.22208	1.2
275.20187	1.4
293.08655	1.2
293.21228	100.0
294.21555	7.9
296.92319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03052	1.8
57.03325	28.9
58.02838	2.0
59.01252	13.9
61.98694	3.0
66.03365	3.3
67.01781	1.7
68.02393	2.7
70.02837	1.1
71.01252	6.9
71.52018	2.0
73.02829	1.5
82.02841	4.1
83.00861	1.4
83.01257	12.5
83.04897	2.1
84.04433	2.3
85.02830	6.6
89.02348	1.3
94.02863	5.6
96.00796	2.5
99.04420	1.3
101.02312	3.9
108.02068	5.2
109.02806	3.9
111.03114	1.9
112.03938	14.5
113.02310	2.2
121.01570	3.3
122.03648	3.6
123.03107	1.9
133.04944	3.6
139.02675	10.1
151.95641	1.1
161.04414	3.4
162.99953	1.2
166.83461	1.1
181.15862	3.3
183.36143	1.2
193.09689	1.1
195.13789	1.4
195.17499	1.3
197.19052	11.8
205.91806	1.2
207.17502	1.9
209.19139	1.4
221.14998	1.5
221.19101	6.8
223.17043	1.8
223.20639	15.3
225.04671	1.4
225.18575	1.4
234.18590	1.9
235.08157	1.4
235.16965	2.4
237.18433	2.1
239.20137	100.0
240.20456	7.5
248.20113	2.8
249.18582	32.8
250.18831	3.2
258.18570	1.5
266.21320	7.3
273.38696	1.2
276.19653	21.6
294.17773	1.9
294.20859	22.0
295.10352	3.1
295.13474	2.7
295.22916	1.9
310.94403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17760	0.5
59.01254	1.0
61.27972	0.6
71.01260	2.8
71.11723	1.2
73.02817	2.2
73.18803	0.5
77.23579	0.6
87.00754	0.6
88.14221	0.5
89.02315	12.1
89.02840	0.9
90.50174	0.6
93.03327	1.1
103.03855	0.8
108.17513	0.7
119.04915	59.8
120.05247	2.7
131.03394	3.1
149.04459	45.0
150.04776	0.9
163.03918	100.0
164.04260	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	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18208	1.1
59.01237	3.3
67.83400	1.2
69.58308	0.9
70.54460	2.0
71.01264	1.7
83.34117	0.9
93.03362	1.3
112.58113	1.0
119.04916	55.5
120.05256	2.6
149.04459	1.9
153.01743	1.0
163.03918	100.0
164.04243	5.0
214.89861	1.0
231.69003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1338
Annotation	CHEBI:70698
Peak:m/z	Relative Intensity
51.66082	0.3
57.03324	25.5
59.01255	6.4
61.98701	1.2
69.03323	3.6
71.01254	2.6
73.02838	0.6
81.10046	0.4
83.04899	1.2
83.72036	0.3
85.02818	1.1
89.02343	1.0
93.03336	100.0
94.03667	2.5
95.04940	2.1
96.65917	0.3
101.02309	2.5
113.02335	1.2
117.03286	0.9
119.04913	12.4
119.92973	0.4
130.04131	0.9
131.04906	3.4
133.04962	1.5
134.53256	0.3
135.04436	0.5
140.03606	0.3
143.03384	0.5
145.06511	3.2
147.04419	19.8
147.08040	0.4
148.04742	0.8
148.05992	0.4
161.02348	0.7
161.04480	1.1
161.05928	0.6
163.07556	70.6
164.07881	2.5
189.09146	21.9
190.09439	1.3
201.09222	1.8
235.08252	0.7
245.06087	0.4
253.09238	0.6
295.10504	1.8
295.13370	35.5
295.22668	1.3
296.13748	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.69910	0.9
57.03325	1.2
58.15528	0.9
59.01249	12.8
59.02705	0.7
70.81497	1.9
71.01241	4.3
73.02835	1.9
85.02825	1.7
97.55132	0.8
97.73470	0.9
101.02311	3.2
113.02332	1.9
113.09592	3.0
133.04910	1.5
135.41594	0.8
161.04449	2.7
179.14357	1.2
183.13823	3.0
195.13837	29.0
196.14221	2.0
235.08241	1.0
249.99434	0.9
253.09024	1.4
277.21710	26.5
278.22119	2.5
295.10443	1.8
295.22769	100.0
296.23117	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03329	0.7
59.01253	4.7
69.05128	0.3
70.26751	0.8
71.01254	1.2
73.02815	0.4
83.01256	0.4
85.02798	0.6
89.02324	0.4
97.06435	0.5
98.03995	0.3
99.08057	0.5
101.02312	0.6
113.09613	2.3
121.61762	0.4
131.87682	0.3
133.04968	0.7
161.04526	0.5
163.07651	0.3
171.10126	0.5
177.12703	0.6
179.14330	0.9
181.12247	0.5
195.13844	19.8
196.14177	0.8
196.67807	0.3
228.16916	0.3
233.22826	0.4
251.23796	0.5
259.20639	0.4
277.21725	20.0
278.22125	1.6
289.22482	0.4
295.22781	100.0
296.23145	8.0
296.26370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
59.01247	100.0
64.69543	2.9
66.74097	3.1
70.27445	4.4
70.27821	7.0
71.01251	61.0
72.99165	4.3
73.02822	7.4
83.01247	3.0
85.02827	19.4
87.00721	4.1
87.33452	3.1
89.02322	87.8
95.01277	4.9
95.70900	2.9
101.02317	48.7
112.62727	3.2
113.02319	28.9
117.54356	3.0
119.03391	39.3
130.12875	3.0
131.03352	3.7
131.81848	3.2
135.04427	50.6
135.06523	27.6
143.03387	6.4
149.04469	4.4
161.04482	25.7
179.05508	21.1
202.51875	3.4
265.73557	2.7
297.08588	3.1
297.11890	67.1
297.24512	10.3
298.12225	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01757	2.5
57.03319	2.1
58.00461	3.1
59.01251	100.0
60.01561	1.4
71.01254	65.5
71.49529	0.9
71.49847	1.0
72.01582	1.1
72.96399	0.8
72.99174	3.1
73.02811	6.3
81.03324	1.1
83.01256	2.6
85.02827	17.0
85.86755	0.8
85.89018	0.7
87.00738	3.1
88.28472	1.0
89.02317	77.3
94.00790	0.8
95.01286	2.3
99.00769	2.2
101.02325	37.4
103.03909	1.8
113.02336	27.1
119.03393	34.1
131.03365	3.3
133.04877	1.1
135.06532	19.7
143.03450	6.2
149.04469	3.3
159.02866	1.1
161.04462	17.0
174.65176	0.9
179.05531	26.0
237.09810	1.4
297.11905	51.2
297.24576	2.0
298.12234	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	297.1496
Annotation	CHEBI:70700
Peak:m/z	Relative Intensity
55.01741	0.6
55.79929	0.5
57.03317	1.4
58.00466	1.0
59.01252	25.6
65.85914	0.4
69.03318	0.7
71.01256	14.0
71.52104	0.8
72.99172	1.1
73.02811	1.8
74.12613	0.5
81.03313	0.5
83.01245	1.0
83.04901	0.6
83.13200	0.5
83.39456	0.4
85.02831	4.7
87.00755	1.0
89.02319	15.5
93.03340	11.1
98.74590	0.6
101.02326	9.1
103.62348	0.4
106.04131	10.3
107.04948	1.0
108.02052	3.2
113.02347	5.5
117.05387	0.6
119.03390	6.7
119.04895	0.8
121.06495	0.7
123.04366	0.7
125.02463	0.5
131.03419	0.9
135.04425	1.4
135.06540	5.6
138.03061	1.3
141.13136	0.5
143.03381	1.5
149.04526	0.6
161.04503	3.1
174.89093	0.6
179.05550	4.3
189.03270	0.5
191.10719	100.0
192.11047	5.6
203.10735	4.1
208.47260	0.5
237.09816	1.3
255.10353	0.6
297.11829	12.0
297.15005	34.1
297.24243	8.7
298.15326	2.5
298.24670	1.2
307.32529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1498
Annotation	CHEBI:70700
Peak:m/z	Relative Intensity
56.56573	0.6
57.03319	1.7
58.00455	1.7
59.01253	26.6
61.03862	0.6
61.98705	13.7
69.16338	6.7
69.75910	0.6
71.00858	0.8
71.01251	13.8
72.99171	0.8
73.02814	1.0
79.63274	0.6
83.01247	0.9
85.02822	5.1
89.02319	15.3
93.03336	6.1
95.01251	0.6
101.01717	0.6
101.02332	8.5
106.04134	7.5
107.04909	1.3
108.02055	3.0
113.02338	6.1
116.85987	0.6
119.03422	6.7
119.04905	12.2
121.02789	0.7
121.06474	1.5
123.04418	0.8
130.04144	0.6
131.03384	0.8
131.04927	4.3
132.05704	28.8
133.06020	0.9
134.03622	1.0
135.04393	1.4
135.06525	6.9
138.03098	1.2
143.03386	1.5
145.06483	1.1
147.08067	3.6
149.05994	11.2
150.06354	0.7
161.04485	3.3
179.05487	3.8
191.10704	63.5
192.11021	3.0
193.27452	0.6
202.54112	0.6
203.10777	0.7
215.15440	0.8
222.68668	0.6
237.09671	1.3
238.06334	0.8
239.03453	1.0
254.05840	1.1
257.26385	0.6
269.08307	0.6
279.13776	0.9
297.07755	2.3
297.11859	10.4
297.14926	100.0
297.24234	8.2
298.12314	1.0
298.15302	8.1
298.24765	0.7
299.41214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02269	4.9
65.00191	3.3
66.69859	0.4
79.01751	0.3
80.91552	0.3
83.01249	1.0
89.00175	0.7
91.01770	1.0
93.03316	0.4
95.01250	0.5
107.01266	4.1
108.02036	0.9
109.02837	5.4
115.05411	1.0
117.03320	0.8
119.01274	0.6
129.03342	0.4
131.04903	0.8
133.02849	9.0
135.00818	1.7
139.05478	0.4
142.06346	0.3
143.04924	3.5
145.02858	2.4
147.00719	0.9
147.04391	1.3
148.01549	0.8
149.02365	0.5
151.00291	3.0
154.04109	0.6
155.04942	1.3
155.14987	0.3
157.02881	2.6
159.04437	1.0
161.02216	0.4
161.05978	0.7
163.00296	0.6
163.03912	0.5
169.01448	0.4
169.02870	0.9
170.03639	0.6
171.04425	8.6
173.02335	2.7
175.03937	4.8
182.03615	0.9
183.04420	1.8
185.02339	1.1
187.03937	4.4
188.04031	0.4
189.01891	0.4
189.05460	0.9
197.02368	2.2
198.03191	3.1
199.03935	17.1
200.04257	0.9
201.01895	5.9
203.03383	0.9
213.01848	0.9
214.02660	0.9
215.03430	6.6
225.01926	1.0
226.02617	3.8
227.03432	7.7
228.03789	0.7
229.01401	0.4
241.01398	0.7
242.02203	2.1
242.04338	0.3
243.02948	9.4
244.03249	0.6
255.02983	6.1
271.02466	84.5
272.02844	5.9
282.01746	0.5
298.01102	0.6
299.01959	100.0
299.16510	2.4
300.02600	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	299.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02263	5.4
65.00195	4.4
66.86638	0.7
69.28252	0.8
71.28954	1.8
74.98624	0.7
79.01746	0.9
80.39351	0.6
83.01262	1.6
87.48726	0.8
91.01788	0.9
107.01253	6.0
108.02115	1.0
109.02839	8.6
112.23809	0.8
113.90171	0.8
115.05442	1.2
117.03439	0.9
119.01269	1.0
131.04970	1.7
132.73450	0.8
133.02856	12.8
135.00838	1.7
143.04909	5.8
145.02849	3.7
147.00754	1.4
147.04430	1.8
151.00302	2.8
155.04945	2.7
157.02855	3.9
159.04451	1.6
161.02356	1.3
163.00299	0.9
169.02782	0.9
170.03769	1.1
171.04449	9.3
172.04771	0.9
173.02376	2.7
175.03929	5.1
182.03728	1.3
183.04466	2.0
185.02350	1.4
187.03923	4.1
197.02390	2.6
198.03156	2.9
199.03946	20.2
201.01929	6.9
203.03447	2.2
213.01929	1.0
214.02678	1.3
215.03490	7.7
226.02629	3.8
227.03429	10.0
241.01462	0.9
242.02200	3.5
243.02963	12.8
255.02995	7.9
271.02478	100.0
272.02859	6.4
275.25360	0.8
299.01959	99.0
299.16452	2.6
300.02548	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	299.0196
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
53.14418	0.4
56.95967	0.4
62.06485	0.4
63.02267	5.3
65.00195	4.4
66.91336	0.5
69.31329	3.8
83.01283	1.1
89.00213	0.7
90.96770	0.4
91.01742	0.7
107.01281	4.8
108.02061	0.5
109.02840	4.6
115.05437	0.8
119.01241	0.5
131.04951	0.8
133.02858	9.9
135.00771	1.9
137.80066	0.4
143.04941	3.6
145.02827	1.8
147.00789	0.8
147.04390	0.7
148.01595	0.5
151.00282	5.8
154.04279	0.5
155.04916	1.6
157.02847	2.6
159.04454	1.5
161.02292	0.9
161.06026	0.7
163.00342	0.7
169.02884	0.7
170.03622	0.8
171.04419	7.8
173.02342	2.0
175.03925	4.5
178.99786	2.0
182.03745	0.6
183.04453	1.5
187.03912	4.6
197.02353	2.3
198.03171	3.2
199.03946	13.1
200.04276	0.8
201.01886	5.6
203.03436	1.1
213.02002	1.2
214.02675	1.0
215.03412	5.8
225.01968	0.6
226.02661	4.2
227.03458	6.9
242.02080	2.3
243.02963	8.6
255.02962	6.7
271.02475	72.9
272.02875	5.3
282.01675	0.9
299.01959	100.0
300.02594	20.7
307.26654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0198
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
56.16243	0.2
59.01255	0.4
63.02269	4.9
65.00194	3.2
67.43584	0.3
69.63601	1.1
71.01237	0.4
73.66096	0.3
83.01264	1.3
89.00211	1.0
91.01784	0.8
92.26394	0.2
93.03333	0.3
95.01281	0.4
107.01273	3.8
109.02841	5.9
111.81339	0.3
115.05435	1.5
117.03332	0.6
119.01242	0.8
119.04891	0.4
127.05446	0.3
131.04947	0.7
133.02852	9.1
134.03174	0.5
135.00768	1.6
137.02370	0.4
141.03290	0.3
143.04933	3.9
145.02863	2.9
147.00783	0.6
147.04402	0.9
149.02289	0.6
151.00308	2.9
153.03343	0.5
154.04187	0.6
155.04915	1.1
155.10687	0.8
157.02859	3.0
159.04414	1.0
161.02327	0.6
163.03897	0.6
169.01369	0.5
169.02852	0.8
170.03601	0.8
171.04425	7.6
172.04678	0.4
173.02325	2.1
175.03920	4.6
176.04201	0.4
182.03607	1.0
183.04416	1.3
185.02356	0.7
186.02966	0.3
187.03937	4.2
188.04359	0.3
189.01823	0.5
189.05453	0.9
197.02449	1.3
198.03162	2.5
199.03935	16.5
200.04262	1.0
201.01894	5.9
202.02139	0.3
203.03430	1.3
211.03806	0.3
213.01848	0.8
214.02623	1.0
215.03453	5.7
225.01785	0.5
226.02673	3.4
227.03471	6.8
228.03767	0.6
229.01497	0.5
242.02235	2.2
243.02959	7.6
255.03021	2.1
271.02478	81.7
272.02811	6.2
282.01636	1.0
299.01962	100.0
299.16284	1.8
300.02383	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	299.0561
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
52.53718	0.5
54.19741	0.5
59.01054	0.8
59.01331	2.6
71.18293	1.6
71.47429	0.5
78.45040	0.5
84.19455	0.5
89.02412	0.8
101.02425	0.6
109.02892	0.5
117.03354	2.9
119.05009	1.4
121.02888	0.9
133.02951	1.4
137.02388	0.6
137.09669	0.6
138.05597	1.6
141.03412	0.8
145.02855	13.1
147.04475	0.9
153.03448	1.8
155.04919	2.6
157.02959	1.9
161.02382	0.9
169.02846	12.2
171.04477	1.2
173.02455	0.8
174.99280	0.6
181.02959	1.9
181.71706	0.6
185.02303	2.8
186.79984	0.6
187.04016	0.9
197.02391	8.6
198.03009	0.8
199.04012	1.3
201.01863	3.3
213.01936	0.9
215.03596	1.5
217.00185	1.3
225.01878	29.9
226.02560	4.7
227.03503	0.8
229.01381	5.8
233.93373	0.6
240.04179	0.6
255.02777	0.6
256.03809	1.6
269.04544	5.2
271.02484	9.5
284.03265	100.0
285.03616	6.7
298.24637	1.0
299.01996	10.8
299.05594	42.0
299.09180	2.7
299.16501	19.3
299.25775	2.0
300.02747	1.0
300.05923	3.3
300.16830	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Fimbriol A
Peak:m/z	Relative Intensity
51.55955	1.0
59.01253	7.3
63.80547	1.2
65.00204	2.0
70.07998	5.4
82.61795	1.1
83.01218	1.4
98.19847	1.2
103.60972	1.1
107.01308	1.5
117.03353	5.1
119.04941	1.7
121.02839	2.6
121.72163	1.4
131.48070	1.1
133.02847	3.2
137.02321	2.0
138.05476	2.9
145.02853	27.2
150.45599	1.2
151.00151	1.4
197.05986	18.4
198.03156	18.2
199.03726	2.8
201.01886	1.8
211.03996	1.7
213.05537	1.4
217.00262	4.4
225.05518	39.3
226.02673	52.4
226.05843	2.9
227.03133	3.3
240.04109	3.2
240.07916	32.3
241.05051	21.7
241.07758	1.8
242.05432	1.4
251.03476	1.6
254.02185	23.5
255.02750	2.8
255.10260	6.7
256.03659	1.3
258.19836	1.2
268.03787	2.9
269.04556	97.1
270.04782	6.9
271.02472	12.7
284.03418	8.8
284.06879	100.0
285.07236	8.2
298.24866	1.7
299.01941	16.5
299.05573	10.1
299.09222	32.7
299.12775	3.2
299.16458	46.7
299.25821	2.9
300.02444	1.6
300.09439	2.3
300.16754	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	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
70.25922	1.6
89.02358	0.5
95.30350	0.4
97.60304	0.4
98.36202	0.3
100.48460	0.3
103.48171	0.4
108.66949	0.4
117.03407	1.6
119.04964	0.6
121.02853	0.6
133.02882	0.8
137.01419	0.4
137.02364	0.6
138.05487	0.9
145.02858	8.3
162.03049	0.3
163.46158	0.4
170.04956	0.4
171.04501	0.7
175.03955	0.5
184.34650	0.4
197.02460	0.6
198.03197	1.5
199.03963	1.4
201.01869	0.8
213.01848	0.4
217.00322	1.2
226.02667	45.9
227.03055	3.2
241.05032	6.4
243.02892	0.4
254.02193	5.4
255.02776	0.5
256.03711	0.5
269.04553	100.0
270.04907	7.7
271.02527	7.0
272.03061	0.6
284.06900	54.8
285.07242	3.7
299.02045	6.1
299.05795	0.9
299.09232	24.1
299.16440	13.9
299.25790	0.7
300.02414	1.2
300.09528	1.3
300.16684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.4
71.51887	0.4
71.52221	0.4
76.66347	0.3
83.04935	0.3
89.02357	0.4
95.04899	0.3
96.94790	0.3
117.03347	1.8
119.04944	0.6
121.02840	0.3
123.04430	0.4
133.02856	0.5
137.02348	0.5
138.05472	0.6
145.02863	5.6
157.02859	0.3
159.28647	0.3
169.02811	1.6
171.04379	0.4
185.02348	0.3
185.52116	0.3
187.03891	0.3
197.02371	1.2
198.03123	0.7
199.04008	0.8
201.01849	0.8
213.05632	0.3
215.03391	0.6
217.00319	0.9
225.01872	3.6
226.02664	43.9
227.03084	2.4
241.04996	5.1
254.02188	4.0
255.02632	0.4
256.03674	0.3
269.04553	100.0
270.04889	7.4
271.02481	3.3
272.02878	0.4
284.03305	9.9
284.06891	28.8
285.03647	0.8
285.07266	1.9
299.01974	4.8
299.05692	4.9
299.09216	44.3
299.16388	8.9
299.25912	0.5
300.02490	0.4
300.06128	0.4
300.09509	4.1
300.16843	1.0
308.83737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10563	0.2
63.02280	0.8
65.00191	2.1
83.01282	0.7
91.01788	0.5
95.01227	0.2
107.01267	3.1
108.02054	4.3
116.42061	0.2
120.02034	0.7
123.00713	0.2
124.01536	1.1
133.02855	0.3
135.00766	2.0
143.04982	0.5
145.02898	0.2
147.00792	0.7
148.01567	4.9
151.00269	4.0
152.01053	0.9
155.04910	0.5
159.04420	0.5
160.23944	0.2
163.00301	1.6
164.01097	1.8
165.18794	0.2
167.04881	0.3
171.04431	1.0
172.05051	0.3
173.02333	0.3
183.04442	1.3
185.02339	0.5
187.03883	1.6
190.54982	0.2
192.00557	0.6
197.02446	0.5
198.03189	0.8
199.03929	4.5
200.04269	0.3
201.01865	1.8
202.02583	0.3
203.03442	1.4
211.03979	1.8
213.01880	0.8
214.02588	0.4
215.03477	3.4
216.04222	1.1
225.02020	0.3
226.02635	2.5
227.03447	6.9
228.03824	0.5
229.01405	1.2
242.02225	0.7
243.02974	21.8
244.03404	2.3
253.01379	0.3
254.02199	2.7
255.02975	40.3
256.03333	3.5
262.78763	0.3
270.01633	0.4
271.02481	89.8
272.02908	8.8
283.02380	0.3
289.06192	0.2
299.01959	2.1
300.02740	100.0
301.03131	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	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
57.62036	0.2
63.02270	6.3
65.00195	10.4
70.55367	0.7
83.01259	6.9
93.03339	3.0
107.01274	17.2
108.01524	0.5
108.02189	0.3
109.02837	1.9
119.01305	0.2
120.21142	0.2
121.02843	16.6
122.03181	0.5
124.01542	0.5
125.02350	0.5
136.07550	0.2
139.03925	1.4
147.04399	0.4
148.01602	0.4
149.02345	2.6
151.00273	57.6
152.00584	2.0
157.06441	0.2
159.04446	0.7
161.02362	0.8
163.00327	1.0
163.03906	0.9
164.01068	1.0
165.01869	0.3
169.01328	2.6
173.06070	0.2
175.03941	0.4
178.99785	21.9
180.00096	0.6
183.04474	0.4
185.06013	0.5
187.03949	0.9
192.00540	0.4
193.01335	1.3
196.00082	0.2
201.05447	0.7
205.04935	0.5
211.03978	0.8
211.13196	0.3
214.02655	0.2
215.03358	0.3
227.03500	0.8
229.05038	2.0
231.02879	0.2
243.02890	0.5
244.03166	0.3
245.04491	1.7
255.02956	0.8
256.03564	0.3
257.04501	1.1
257.12857	0.7
271.02374	0.3
273.04047	2.9
299.01886	0.4
301.03516	100.0
302.03882	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94189	0.4
59.01229	0.5
59.80745	0.5
62.11158	0.4
63.02267	6.9
65.00194	12.0
69.71857	2.5
71.01250	0.9
83.01263	8.1
93.03342	3.0
95.56098	0.4
98.19872	0.9
101.71573	0.5
107.01274	19.6
109.02834	1.8
121.02840	20.1
122.03197	0.5
139.03891	1.9
147.04362	0.7
149.02348	3.1
151.00273	59.5
152.00562	2.4
156.53308	0.5
159.04431	1.0
161.02347	1.5
163.00270	1.5
163.03922	1.4
164.01077	0.8
169.01347	3.5
175.03914	0.9
178.99782	24.6
180.00012	0.6
187.03893	0.8
189.05434	0.5
192.00601	0.5
193.01338	1.4
199.03752	0.5
201.05421	1.1
205.04999	0.7
211.03929	0.8
211.13327	3.7
213.01932	0.6
229.05084	2.3
241.14474	0.9
244.03510	0.5
245.04567	1.9
255.03011	0.7
256.03577	0.7
257.04608	1.2
272.02954	0.7
273.03983	3.2
274.04379	0.5
299.01892	0.6
301.03528	100.0
302.03879	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
59.01248	0.4
60.15997	0.2
63.02263	0.8
65.00196	3.2
68.50710	0.2
71.01247	0.3
73.02831	0.3
77.03837	0.4
77.30595	0.2
81.03345	0.3
83.01263	1.9
93.03335	9.7
98.19802	0.9
103.66137	0.2
105.03348	1.1
107.01275	4.4
107.04890	2.7
109.02863	0.3
117.03332	0.3
121.02848	1.4
123.00782	0.3
125.02259	0.4
127.11238	0.3
131.04942	0.3
133.02896	0.4
135.04462	0.3
138.03130	0.3
139.03848	0.2
139.50661	0.3
145.02882	0.3
147.04465	0.3
147.83754	0.2
148.01547	0.3
149.02345	30.6
150.02699	1.1
151.00272	9.1
152.00610	0.2
155.10794	0.2
159.04373	0.7
161.02333	0.4
163.03888	0.3
167.04958	0.3
169.01311	0.3
171.04457	0.3
173.06018	0.6
175.00319	0.3
175.03931	0.3
177.01826	0.6
178.99811	0.4
183.04425	0.9
184.04863	0.2
185.05997	0.5
185.09682	0.4
187.03911	0.7
189.05556	0.3
190.02719	0.3
191.03424	3.7
195.08061	1.6
197.06116	0.4
199.03967	0.3
201.05545	0.4
210.14621	0.2
211.03954	0.9
211.07587	1.0
212.08284	0.3
213.05806	0.4
213.09140	11.7
214.02573	0.5
214.09486	0.7
215.01570	0.4
215.03427	2.6
216.03992	0.2
217.01378	0.4
217.05179	0.4
227.03416	1.3
229.01376	0.4
229.05025	0.5
230.02251	0.3
233.04524	1.2
239.03513	1.8
245.04488	0.5
255.02968	2.2
256.03384	0.4
257.04547	0.9
257.08173	0.8
257.12915	0.6
259.02515	0.4
272.02771	0.5
273.04129	0.8
283.02475	0.7
300.02701	0.4
301.03528	100.0
301.20139	2.5
302.03903	7.3
302.07162	0.4
315.57492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71496	0.7
53.23930	0.6
57.12811	0.7
59.01238	1.1
63.02270	11.0
65.00191	18.0
69.76628	3.5
80.02547	2.1
83.01254	12.1
93.03336	1.6
98.20683	0.6
107.01273	30.2
108.02079	13.2
121.02845	1.2
121.06242	0.6
123.00735	1.6
123.04411	5.4
125.02335	1.7
134.03630	42.3
135.03987	1.1
136.01584	6.3
149.05988	27.3
150.06305	1.0
151.00272	63.0
152.00682	2.2
164.01065	11.9
165.01823	5.4
169.01338	4.9
174.03075	2.2
177.01863	7.5
178.99806	1.4
196.00061	9.6
199.03893	2.1
200.04401	0.9
201.01855	1.9
210.03108	1.6
215.03442	1.0
216.04224	1.1
225.05443	1.5
227.03223	0.7
228.03807	0.9
238.02589	1.6
244.03311	1.6
253.04970	3.7
256.03281	3.9
268.07306	2.8
271.06064	1.3
272.02832	6.5
273.03619	1.4
283.09842	1.9
285.04120	1.4
286.04614	3.8
301.03317	12.9
301.07129	100.0
301.20145	3.5
302.03864	1.4
302.07486	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	301.0718
Annotation	Disporopsin
Peak:m/z	Relative Intensity
59.01266	0.7
63.02270	12.2
65.00193	20.6
65.41627	0.4
66.00520	0.5
80.02547	1.7
83.01257	12.2
93.03339	2.4
95.01301	0.4
98.19780	1.0
99.24890	0.4
101.57790	0.4
104.56676	0.4
107.01270	33.2
108.02061	15.6
109.02859	0.9
111.00730	0.5
121.02840	4.3
123.00750	2.0
123.04393	3.8
124.01540	0.8
125.02335	1.6
133.02846	0.6
134.03629	43.1
135.00752	0.4
135.04324	1.2
136.01550	8.6
138.03163	0.6
139.03885	0.7
149.02365	1.0
149.05984	26.9
150.06358	1.2
151.00272	71.7
152.00670	2.4
159.04369	0.5
160.01585	0.5
161.02301	0.7
161.05882	0.4
164.01065	11.1
165.01830	3.5
169.01314	5.0
171.04539	0.5
173.02275	0.6
174.03149	1.3
175.03903	1.3
177.01845	7.7
178.99767	4.2
187.03900	0.7
196.00082	8.9
197.00537	0.6
199.03938	1.9
200.04709	0.4
201.01833	1.3
201.05406	1.0
206.99213	0.6
207.99974	0.5
210.03082	0.6
211.03932	0.6
214.06276	0.4
215.03445	1.1
227.03381	1.1
227.12866	0.5
228.04276	0.8
229.05014	0.4
238.02631	0.9
240.04208	0.8
241.04935	0.7
242.05573	0.9
243.02818	0.5
243.06528	1.6
245.04456	2.3
253.05040	0.7
256.03598	0.6
257.04602	0.4
258.04980	0.5
268.03793	0.5
271.06113	8.8
273.04080	2.9
285.03949	1.3
286.04672	3.3
286.08426	3.7
301.03525	15.5
301.07111	100.0
302.03958	1.4
302.07468	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50318	0.6
59.01239	1.6
61.34397	0.6
63.02269	11.8
65.00197	18.9
67.15929	0.6
69.26043	4.9
69.29458	0.7
69.72873	0.6
72.14527	0.6
80.02537	1.8
83.01258	12.3
93.03318	1.2
97.64987	0.6
107.01276	29.3
108.02066	16.5
109.02872	0.8
111.00785	0.8
121.02851	1.4
123.00754	1.8
123.04442	4.6
124.01554	1.1
125.02325	1.9
130.50969	0.6
134.03639	45.0
135.03874	1.4
135.04120	1.5
135.04422	1.4
136.01567	7.7
149.05997	28.5
150.06392	0.8
151.00284	69.6
152.00674	2.3
155.10645	0.7
160.01517	0.7
164.01086	9.8
165.01857	3.2
169.01360	6.4
174.03111	1.8
175.03818	1.2
177.01874	9.7
178.99748	1.9
196.00081	11.0
199.03989	1.5
199.09769	0.7
201.01849	2.2
201.05406	0.7
210.03096	1.5
215.03412	0.9
216.03889	1.2
217.07088	0.7
225.05621	1.1
228.04050	0.9
243.03047	1.0
244.03384	1.9
245.04488	1.3
253.04948	3.1
255.02847	0.7
256.03326	3.6
258.05258	0.7
259.05881	0.7
268.07431	3.1
271.02493	1.3
271.06003	1.5
272.02847	7.3
273.03397	1.1
279.14301	0.7
283.09778	2.4
285.03992	1.0
286.04764	3.1
286.08167	1.1
301.03311	17.3
301.07126	100.0
301.16595	1.6
301.20242	3.7
302.03949	1.3
302.07410	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	301.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02271	9.1
65.00197	14.7
66.00531	0.5
69.42161	0.5
69.42569	2.4
70.74458	0.4
76.68296	0.4
80.02548	1.3
83.01259	9.3
93.03342	0.5
105.42310	0.4
107.01272	26.0
108.02063	14.0
108.99293	0.4
121.02842	0.9
123.00790	1.0
123.04416	3.6
124.01572	0.7
125.02336	1.0
130.38757	0.4
134.03633	37.6
135.04309	1.4
136.01556	7.6
141.03291	0.4
149.05989	22.9
150.06305	0.7
151.00275	54.7
152.00691	1.6
163.99686	0.6
164.01065	11.1
165.01883	2.9
169.01353	3.3
174.03149	1.7
175.03882	0.8
177.01842	7.8
177.03320	0.6
196.00069	6.6
199.03952	0.9
201.01869	1.4
209.11894	0.4
211.46968	0.4
214.06259	0.5
214.72395	0.4
215.03465	0.7
216.04112	0.5
241.05016	0.5
242.05890	1.0
243.02805	0.4
258.05283	0.8
259.05872	0.4
285.04019	1.7
286.04822	3.7
301.07169	100.0
301.20187	1.6
302.07504	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	301.093
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
53.01428	0.6
56.56367	0.6
59.01275	0.9
61.35508	0.6
63.14920	0.8
70.26808	3.2
83.12156	0.6
93.03333	7.6
98.20464	0.9
109.58598	0.6
121.02847	9.5
123.00777	1.7
133.48064	0.7
139.03909	100.0
140.04247	3.1
165.01941	0.9
170.56053	0.7
225.77458	0.8
240.57494	0.7
240.59995	0.8
249.68616	0.9
255.64078	0.7
301.09238	1.3
301.17047	0.8
309.47855	0.8
324.46207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1081
Annotation	Notholaenic acid
Peak:m/z	Relative Intensity
59.01273	0.8
61.98698	0.7
62.98857	0.4
63.04813	0.4
65.00175	1.2
71.32415	0.9
75.84451	0.5
83.01262	0.9
85.83734	0.4
93.03333	11.0
93.03925	0.7
95.01261	1.7
106.04134	0.8
107.01280	2.6
108.02071	5.4
109.02843	0.9
112.80087	0.5
119.04933	0.6
121.02843	19.0
123.00793	1.5
125.02348	0.6
135.04395	1.6
137.02324	1.4
138.03096	0.6
139.03906	0.6
149.02310	1.3
150.03078	0.6
151.00279	4.6
151.03911	3.1
153.01836	0.5
159.04324	0.5
172.05032	0.4
178.99777	1.5
182.02071	0.6
183.08168	0.6
198.06824	1.0
199.07584	2.3
209.06026	1.7
211.07584	4.7
213.09128	1.8
226.06305	10.4
227.07050	9.6
228.07768	0.7
241.08670	26.2
242.09438	34.4
243.09767	2.0
257.11813	55.8
258.12103	4.7
291.71857	0.5
301.03546	7.9
301.10806	100.0
302.11136	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	301.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
62.86446	1.1
63.02253	1.6
65.00185	3.8
67.12191	1.1
71.53231	1.7
74.98965	17.5
78.95796	1.4
83.01244	1.8
93.03338	2.2
107.01263	5.9
109.02802	1.5
117.15615	1.1
120.99531	13.3
121.02879	6.1
122.03639	1.5
123.00770	3.0
129.91656	0.9
138.01366	2.1
138.03070	1.9
138.37405	1.1
142.00847	4.1
149.02354	1.3
151.00270	17.7
152.00618	1.0
152.02887	2.7
161.02403	1.1
166.08258	1.2
169.01352	1.2
169.10474	39.5
175.03531	1.4
178.99825	6.4
179.10666	12.4
181.12238	1.4
195.08424	38.3
213.09496	100.0
214.09770	4.2
217.07251	1.2
228.43066	1.2
271.06232	2.0
301.00262	1.7
301.03543	28.8
301.06989	1.6
301.11032	7.1
301.16852	2.1
302.03796	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.07488	0.2
60.97378	0.7
69.72702	1.0
74.98951	0.7
108.04910	0.3
118.96169	0.7
127.93275	0.2
134.99304	5.9
136.97218	2.2
141.07320	0.6
143.05273	0.6
150.98749	0.4
151.63374	0.2
152.96625	0.3
157.85165	0.2
159.08363	1.8
161.06308	6.8
171.25284	0.3
198.01010	0.2
201.04008	0.6
203.05583	3.2
205.03496	1.0
208.02464	0.2
215.05623	1.1
217.07161	89.8
218.07288	5.6
235.08217	0.7
261.06165	1.0
283.12018	0.6
285.13474	36.3
286.13690	3.2
301.16599	100.0
302.16791	11.0
318.63129	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
50.93817	1.1
55.01755	2.9
55.43474	1.0
57.03314	3.5
62.35322	1.2
65.00175	1.3
67.01768	2.8
68.99670	2.9
69.03313	2.6
71.00499	3.2
71.01249	2.0
77.03856	1.2
81.03321	7.8
83.01235	5.5
85.02830	6.1
88.00442	1.1
93.03352	3.6
95.01259	2.2
95.04892	1.8
97.02822	5.1
99.00759	17.5
99.04344	1.7
108.02023	2.8
109.02831	27.8
111.00771	19.5
113.02352	2.4
120.44236	1.2
121.02856	6.8
123.00749	9.3
123.04408	4.2
124.01507	2.0
125.02336	100.0
126.02637	3.4
127.00235	3.5
130.04105	1.5
131.04895	1.6
133.02847	5.9
135.04414	4.4
136.01616	1.5
136.98744	1.4
137.02341	41.1
138.03134	9.4
139.00269	26.4
139.03923	3.2
140.00990	3.8
141.01840	56.0
142.02164	2.7
143.04906	1.5
145.02800	2.8
147.04419	7.6
148.01506	1.9
149.02359	12.0
150.03069	1.5
151.00244	3.5
151.03908	4.2
152.01048	4.3
153.01845	60.4
154.02254	3.3
158.03616	2.4
159.04434	2.6
161.02354	26.8
161.05954	2.6
162.02977	3.0
163.03961	6.4
164.01039	3.8
165.01830	12.7
166.02654	6.6
167.03416	8.8
171.04391	4.6
173.02359	4.7
173.05946	3.7
173.74699	1.2
174.03082	5.3
175.03926	32.3
176.04253	2.9
177.01820	11.5
180.00607	7.1
181.01329	6.4
185.05931	2.3
187.03886	5.0
188.04720	2.3
189.05492	9.6
191.03381	4.2
193.01579	1.6
193.04926	2.3
194.02170	2.9
195.04477	1.5
197.06096	1.8
198.03152	1.9
199.03925	8.8
201.01787	8.3
202.02576	1.8
203.03438	6.2
205.04915	3.3
205.50391	1.1
212.04747	1.3
213.05443	6.8
215.03459	4.4
215.07211	1.5
216.04166	3.0
217.05019	26.7
218.05397	1.4
219.02892	2.1
229.04858	2.2
231.02898	1.5
231.06541	3.6
233.04416	2.1
235.06036	7.2
241.05006	6.1
243.02983	1.6
257.04605	9.0
259.06082	7.7
261.03995	3.0
267.02905	1.4
275.05643	3.7
285.04031	24.8
286.04367	2.2
303.05087	43.4
304.05524	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
61.40121	3.1
67.01762	2.9
69.85661	16.4
71.01225	2.8
81.03332	8.7
83.01266	5.1
85.02849	9.0
89.39769	2.7
95.01265	6.1
96.95727	2.9
97.02834	5.4
98.20512	6.0
99.00798	17.4
109.02829	31.1
111.00762	21.0
121.02837	7.5
121.75401	3.3
123.00764	7.7
123.04451	4.7
125.02335	100.0
126.02663	3.8
127.00246	5.9
137.02342	33.7
138.03214	7.4
139.00293	32.0
140.01064	3.2
141.01837	76.3
147.04434	5.0
149.02385	18.1
151.03868	3.6
153.01852	81.9
159.04381	5.4
161.02356	38.7
161.05992	4.4
162.03131	4.5
163.03912	7.3
164.00983	4.5
165.01860	13.4
166.02626	7.5
167.03391	11.8
171.04375	7.2
173.02348	4.7
173.05914	6.6
174.03128	6.1
175.03935	30.3
177.01845	12.5
180.00578	7.6
181.01373	8.1
187.03949	3.9
189.05513	11.0
197.06041	3.4
199.03995	6.7
201.01877	5.8
203.03419	9.6
205.04996	3.9
208.97867	4.0
213.05495	6.8
215.03419	5.4
216.04257	3.8
217.05014	29.6
219.02875	3.5
231.06479	4.8
235.05975	4.9
239.03696	2.8
241.04993	8.4
243.02943	3.3
257.04526	10.4
259.06100	9.3
259.44681	3.1
261.04001	4.6
275.05643	4.4
285.04044	19.2
303.05072	56.0
304.05640	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	303.051
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03325	18.1
59.01231	0.8
63.02272	0.8
65.00185	2.9
69.18428	0.7
71.53323	1.1
75.33955	0.7
81.03313	1.1
83.01263	8.8
91.93817	0.8
93.03346	1.6
95.01268	1.2
97.02811	0.8
107.01295	2.5
109.02849	4.4
111.00742	1.7
121.02830	2.2
123.04403	8.2
124.01561	2.5
125.02338	100.0
126.02667	2.8
135.04442	0.7
137.02377	3.8
139.00348	0.9
139.03902	2.0
146.03661	0.9
147.04411	2.3
149.02335	6.0
150.03143	7.2
151.00262	8.7
151.03926	9.8
152.01077	3.5
152.04134	0.8
153.01839	8.0
159.04491	0.8
161.02306	1.5
161.05919	1.3
163.03906	1.0
165.05515	2.2
171.04445	1.4
173.02507	0.9
173.06012	1.3
174.03197	3.8
175.03914	17.4
177.01855	16.0
178.99785	10.4
181.01384	1.0
187.07446	0.9
188.04727	2.2
189.05489	5.3
191.03513	0.8
193.05006	4.0
199.03932	10.1
201.01933	2.5
213.05537	2.5
215.03473	0.9
216.04257	1.6
217.05038	9.6
231.06683	1.4
241.05067	5.8
243.03014	1.6
257.04587	1.6
259.06116	5.0
275.05621	5.1
285.04047	52.3
286.04453	6.0
303.01642	1.3
303.05124	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09022	0.3
56.43020	0.3
57.00191	0.3
58.02848	44.8
59.03181	0.6
62.15808	0.3
65.20943	0.3
66.90285	0.3
70.09099	1.5
91.08460	0.3
130.30095	0.3
147.32741	0.3
153.59792	0.4
165.15979	0.3
168.13852	100.0
169.14224	5.2
199.32220	0.3
212.12852	4.4
294.88739	0.4
304.19101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.9
65.35363	1.5
69.03311	3.6
69.21301	7.9
69.21723	9.3
71.01268	3.6
81.03333	4.4
83.01268	10.2
93.03312	3.6
95.01278	8.9
95.04906	4.8
97.02834	9.1
99.00748	17.6
99.04373	3.4
107.04915	2.2
108.02100	2.4
109.02834	35.8
111.00757	23.4
111.04388	2.8
113.02336	2.3
121.02832	6.8
123.00741	10.1
123.04416	16.8
124.01566	3.4
125.02334	41.0
126.02689	3.3
127.00231	1.7
128.63438	1.9
131.04851	1.8
133.02870	4.1
135.04390	5.2
137.02341	32.6
137.32039	1.6
138.03046	2.4
139.00266	29.5
139.03899	11.4
140.01033	4.9
141.01857	8.3
145.02870	2.0
147.04370	4.0
149.02347	9.7
149.05946	2.3
150.03069	2.8
151.03903	10.2
153.01837	5.0
159.04410	4.6
161.02333	21.0
162.03156	10.0
163.03888	6.1
164.01021	3.5
165.01830	12.1
165.05428	3.5
166.02493	1.7
167.03395	10.9
173.05974	3.4
175.03905	4.8
177.05521	5.0
179.03407	5.2
181.05014	2.6
195.02917	3.4
201.05502	3.8
203.03412	6.3
205.04953	3.9
213.05583	1.9
216.64035	1.7
217.05043	2.0
219.06604	9.6
221.04475	2.9
237.07582	2.3
243.06563	7.0
259.05957	4.4
261.07739	3.5
269.04440	3.9
287.05603	13.4
298.31607	1.7
305.06653	100.0
306.07025	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	305.0669
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
55.64540	1.3
57.03328	7.7
58.02847	1.5
59.01249	5.6
62.75364	1.4
67.01756	1.5
67.89713	1.7
68.03258	1.3
69.03313	4.3
69.51032	10.2
71.01244	4.8
74.02346	3.4
75.26933	1.4
81.03330	3.8
83.01258	13.9
83.04904	2.6
83.86036	1.6
86.02404	1.7
89.02354	1.4
93.03338	4.5
94.66653	1.3
95.01250	8.8
95.04904	7.4
96.95918	3.7
97.02815	10.8
99.00758	21.3
99.04387	3.9
99.05527	2.6
108.02100	1.3
109.02834	43.5
110.03168	2.3
110.18944	1.5
111.00764	29.3
111.04378	4.5
113.02319	5.3
117.03384	1.5
121.02848	10.7
123.00774	11.9
123.04408	21.9
124.01530	5.5
125.02340	52.9
127.00267	2.6
128.03426	5.4
131.04933	3.1
133.02809	4.6
135.04413	5.3
137.02342	39.7
138.03104	4.0
139.00273	28.0
139.03917	11.7
140.01051	6.6
141.01840	6.4
143.04512	7.8
147.04424	2.6
149.02356	10.4
149.05962	2.8
151.03923	8.8
153.01855	5.6
155.03377	2.8
158.03636	1.7
159.04358	6.6
161.02361	28.7
161.06081	1.6
162.03128	12.5
163.03839	4.8
164.01047	5.4
165.01855	11.3
165.05447	2.9
166.02412	2.0
167.03374	11.3
173.05942	2.3
175.03946	4.7
175.07538	1.5
177.05492	9.7
179.03423	5.2
181.05002	4.4
190.02374	1.6
195.02925	2.8
201.05476	4.3
203.03430	9.8
205.05025	4.5
217.04881	3.0
219.06544	11.8
221.04524	2.6
225.05415	2.4
243.06575	5.4
245.04474	2.1
254.07858	2.4
259.06097	4.5
261.07672	3.8
269.04489	3.1
272.08832	2.6
277.07327	1.9
287.05588	12.9
305.06665	100.0
306.07126	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	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	8.4
59.01263	0.4
67.01756	0.7
68.69675	0.4
69.03323	1.4
70.83878	1.2
71.01292	0.4
79.50091	0.5
81.03328	4.1
83.01257	4.4
83.04908	0.4
93.03339	2.4
93.93874	0.4
95.01254	2.9
95.04904	3.2
97.02827	5.2
99.00755	0.7
99.04407	0.6
107.04920	0.8
109.02835	17.1
110.03235	0.5
111.00768	1.0
111.04398	4.5
120.02068	0.5
121.02857	3.7
123.00777	6.4
123.04429	2.2
124.01556	4.4
125.02336	100.0
126.02646	3.0
131.04933	0.6
133.02820	0.5
133.06540	0.5
135.04384	2.4
137.02344	33.6
138.03090	1.7
139.00201	0.8
139.03909	22.6
140.04279	1.0
147.04427	1.3
149.02364	1.2
149.05995	2.4
151.03888	2.5
155.03412	0.5
158.03659	0.7
159.04420	1.7
161.02322	4.0
162.03099	0.6
163.03929	0.8
164.01056	7.0
165.01845	23.9
166.02550	2.5
167.03419	23.2
168.03743	0.9
173.06029	1.3
175.03978	3.4
175.07614	0.8
176.04651	1.1
177.01877	2.0
177.05505	5.2
178.02620	0.9
179.03419	25.3
180.03819	1.0
181.05045	1.0
189.05518	0.9
191.03413	0.7
191.07111	3.3
193.05022	0.7
201.05516	1.7
203.03468	3.3
204.04196	3.4
215.07106	0.4
215.65956	0.4
217.05022	0.6
218.05746	1.0
219.06566	18.7
220.06975	1.1
221.04498	9.2
222.04826	0.9
233.08118	1.1
237.07561	1.1
243.06596	1.5
247.02371	0.7
261.07672	7.8
262.07922	0.8
263.05652	0.8
287.05566	1.7
305.06653	83.8
306.07010	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.7
60.97386	0.3
63.27449	0.3
65.36520	0.3
71.01258	0.7
71.43708	0.3
74.98944	5.1
75.96106	0.3
85.02810	0.5
91.02081	2.6
93.00016	3.3
101.02324	0.5
130.47272	0.3
135.04454	0.4
143.05293	0.3
149.00874	2.6
159.08377	6.6
161.02339	0.6
161.04448	0.4
161.06316	1.8
179.03415	0.6
192.98087	0.7
206.99673	1.5
208.97604	0.3
209.01204	2.9
217.07115	0.6
223.02785	52.6
224.02831	4.2
241.03909	1.2
288.24374	0.3
289.07516	1.7
291.09097	100.0
292.09222	11.2
307.12567	2.6
307.19034	0.4
309.10223	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12438	0.4
55.27810	0.4
57.71701	0.4
58.84166	0.4
59.01241	1.6
60.97360	0.4
71.01254	0.9
74.98949	5.9
81.16667	0.4
91.02082	2.1
92.99998	3.2
98.19776	1.1
99.13586	0.5
135.04445	0.6
149.00848	3.0
159.08383	6.4
161.02345	0.9
161.04388	0.5
161.06268	2.1
162.43234	0.4
192.98138	0.9
206.99609	1.2
209.01266	2.1
217.07121	0.7
223.02802	50.3
224.02875	4.3
225.00739	0.5
229.78317	0.5
241.03792	1.2
289.07465	1.9
290.07751	0.4
291.09100	100.0
292.09247	11.0
307.12592	2.0
307.19080	0.5
309.10162	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11666	1.3
53.79779	1.4
55.59385	1.3
57.03315	5.0
59.01246	17.1
59.77896	1.4
61.94978	1.4
64.61782	1.4
67.01765	1.7
69.03326	4.1
71.01246	7.0
73.02801	2.4
79.95612	2.2
81.03333	7.1
83.01260	8.0
83.04891	3.5
85.02827	5.2
89.02280	2.5
95.01260	1.8
95.04903	4.7
97.02821	8.4
97.06467	10.4
101.02312	3.2
103.03883	2.7
106.04119	2.3
106.92889	1.6
107.04887	2.1
109.02834	2.5
109.06511	2.9
113.02321	2.6
121.06508	1.8
123.04416	11.4
123.08031	5.5
125.09618	17.5
135.04396	5.6
135.08037	2.6
136.05211	1.9
137.06013	1.8
137.09624	13.0
141.12755	2.4
142.02641	2.8
149.06013	4.3
161.02359	9.2
161.04434	2.9
162.88927	1.5
163.06134	2.1
163.07506	1.9
163.11182	15.8
165.09180	1.9
165.12796	3.1
167.10535	3.0
171.10291	2.5
179.03389	3.0
179.10649	1.9
181.12271	4.9
185.11757	26.0
189.12793	1.6
191.10674	2.3
191.14346	20.3
207.10162	11.0
209.11758	35.9
211.13210	2.0
217.15909	3.2
225.11290	11.4
227.18130	1.7
233.15320	2.9
245.19054	48.2
246.19499	3.0
263.20078	1.8
271.17041	6.5
289.18094	100.0
290.18503	9.1
307.10675	7.4
307.19138	55.9
307.22629	3.3
308.19302	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.52706	2.8
55.01778	3.0
57.03315	6.1
59.01256	32.2
65.03832	52.9
69.03310	6.3
71.01247	25.3
71.04893	37.8
71.19180	7.2
73.02822	7.0
83.04883	13.8
85.02830	11.7
89.02353	3.7
93.03337	19.9
95.04889	4.1
97.05815	3.5
97.06463	62.7
99.00764	5.3
101.02306	9.9
103.03880	4.4
115.46766	3.7
117.06981	10.4
119.04944	3.3
119.08563	29.9
121.06475	74.7
123.08036	5.5
125.08743	3.9
125.09619	46.5
133.02846	6.7
133.06476	5.3
135.04419	12.4
135.08057	55.7
137.09627	5.8
138.06720	7.0
141.12697	2.9
152.25168	3.0
161.02359	28.6
161.04465	13.1
167.52521	3.1
171.10194	39.8
179.03363	12.8
185.11758	59.6
186.12155	4.4
191.14293	5.4
208.36067	3.3
209.11778	37.1
211.13356	30.7
231.13847	6.2
233.15398	17.2
235.13338	65.7
236.13605	4.0
245.19112	10.5
249.15009	27.7
261.18561	3.3
272.12628	3.2
279.19662	9.5
289.18118	100.0
290.18469	6.3
307.07584	4.3
307.10303	16.0
307.15710	4.2
307.19122	62.5
308.19379	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	307.1917
Annotation	Soraphen O
Peak:m/z	Relative Intensity
54.96792	0.6
59.01257	8.2
66.38557	0.8
67.94226	0.7
69.03326	1.8
70.08952	3.0
71.01252	4.4
71.04897	5.0
73.02808	1.5
80.02543	1.2
80.69501	0.6
81.03329	2.4
83.04905	1.7
85.02827	2.0
89.02299	1.8
95.04908	2.7
96.95924	0.9
97.06476	0.8
98.03635	2.0
99.00738	0.8
101.02309	1.8
103.03903	1.0
109.02844	1.1
109.06478	14.2
111.04405	7.3
111.08026	1.5
113.02348	1.1
123.08028	2.2
127.07546	4.6
133.02849	1.9
135.04404	2.8
137.09584	1.3
143.10692	1.5
145.06512	2.6
149.09598	2.0
161.02362	2.6
161.04427	2.0
167.10663	2.9
177.09328	0.8
179.03415	2.6
179.10724	1.2
191.14326	1.4
195.13812	4.0
215.24716	0.8
235.13292	2.6
238.03450	0.7
245.19083	6.2
249.14992	0.9
251.16507	1.8
271.16876	1.3
287.16541	2.6
289.18106	100.0
290.18423	8.3
307.10706	4.4
307.15686	1.4
307.19113	11.8
308.19540	0.9
317.49124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.32959	1.2
57.03330	1.6
59.01252	13.3
62.36034	1.1
69.03305	1.7
69.94411	3.4
69.94807	2.2
70.10029	1.1
71.01250	6.9
73.02795	1.4
81.03316	1.7
83.04896	4.6
85.02825	4.6
89.02319	2.7
96.41616	1.1
97.02844	2.2
97.06425	1.7
98.03600	3.2
99.08028	5.3
101.02320	2.9
101.06000	1.4
103.03855	1.5
109.02803	2.4
109.06457	2.6
113.02308	1.8
121.02836	1.6
123.00818	2.1
123.04390	1.9
123.08084	1.4
125.02406	1.7
125.09612	2.7
127.07549	24.4
133.02870	3.1
135.04446	7.1
136.08777	1.2
137.02306	1.7
137.09573	2.3
138.06801	2.2
149.09644	2.5
151.11185	11.3
155.10779	1.6
161.02393	8.6
161.04475	4.3
167.10686	3.5
177.12761	4.8
179.03439	4.3
179.10674	3.9
186.43021	1.3
191.14333	2.6
193.12228	2.7
195.13794	1.3
205.12305	2.0
223.13455	4.7
225.14938	2.2
231.09894	1.2
233.15475	4.1
235.20705	1.2
245.19104	22.8
246.19348	1.4
252.13681	1.9
261.18723	3.4
263.20169	4.9
267.12372	2.7
271.16943	3.3
279.19562	2.8
287.16284	1.5
289.18097	79.7
290.18546	6.2
307.07635	2.4
307.10596	4.3
307.19141	100.0
308.19669	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63370	1.3
54.59692	1.4
57.03317	4.1
59.01250	13.6
61.91307	1.3
69.03315	4.0
71.00681	2.5
71.01258	6.7
73.02802	1.2
78.96684	1.3
81.03323	6.4
83.01247	6.7
83.04883	1.9
85.02820	2.6
95.04918	4.0
97.02825	5.0
97.06462	5.8
101.02325	2.4
103.03881	1.5
104.92844	1.5
106.04084	2.1
107.04913	2.2
110.03620	1.9
121.06468	3.9
123.04403	7.1
123.08034	5.1
125.06010	2.2
125.09618	16.2
133.02840	2.6
135.04451	3.0
135.08026	3.3
137.05942	1.6
137.09593	9.7
141.12749	3.4
149.05945	1.9
151.11212	1.8
161.02371	7.1
161.04463	3.5
161.92511	1.3
163.07544	2.2
163.11143	15.0
165.12709	1.6
167.10710	2.3
171.10175	1.7
177.12708	2.3
179.03372	4.4
179.10643	1.6
181.12276	3.9
185.11755	17.7
189.12865	1.6
191.10678	3.0
191.14325	18.0
207.10191	9.1
209.11771	24.1
217.15994	2.5
225.11221	11.4
232.35651	1.5
245.19075	41.8
246.19400	3.1
247.16965	1.5
268.33426	1.4
271.17081	3.9
276.23764	1.3
279.19608	2.2
289.18094	100.0
290.18430	6.6
307.10846	6.7
307.19150	50.7
308.19461	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15971	5.3
57.03317	11.3
59.01244	38.5
69.03307	9.0
71.01244	33.5
71.52659	5.6
73.02826	7.0
78.34379	4.8
83.01239	6.1
83.04876	8.4
85.02811	20.3
85.43508	5.2
89.02305	10.5
97.06468	23.4
99.04371	5.6
101.02331	14.8
103.03874	7.0
106.37223	5.5
111.08026	12.4
123.04433	5.2
125.09599	9.5
128.63445	5.8
135.04411	21.4
151.07552	5.6
151.11159	25.3
155.10681	14.9
161.02353	36.4
161.04434	16.4
165.12788	27.0
167.10732	6.1
179.03398	14.8
179.10667	11.2
181.12242	22.9
185.11752	6.6
189.66039	5.3
191.10687	20.6
191.14270	7.2
205.12283	7.9
209.11736	52.0
211.13284	8.7
245.19028	35.8
263.20169	12.5
289.18127	59.9
307.07663	7.3
307.10553	15.1
307.15698	9.0
307.19119	100.0
308.19318	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	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.69285	2.0
57.03314	7.4
59.01244	19.7
68.05814	2.5
69.03316	3.9
71.01250	18.3
72.99178	2.3
73.02812	3.6
76.03466	2.2
83.01238	3.2
83.04912	6.8
85.02816	8.9
89.02288	2.3
96.83786	2.2
97.06476	16.6
101.02337	2.7
109.06466	6.6
111.08035	10.4
113.02322	2.7
115.38889	2.9
123.04385	3.2
123.08080	3.4
125.09621	5.2
133.02824	3.7
135.04416	8.5
137.09573	4.7
149.09644	2.3
151.11186	17.7
153.12756	3.9
155.10680	14.0
160.04016	2.3
161.02330	11.0
161.04372	5.7
163.11205	4.0
165.12804	15.3
166.13246	2.0
167.10687	5.5
169.12303	5.7
177.12755	3.7
179.03409	8.8
179.10678	5.4
181.12274	18.8
184.31252	2.7
187.07603	2.2
187.13435	2.3
191.10715	9.8
191.14328	8.2
197.11784	3.8
205.12209	4.0
209.11775	44.8
211.13371	7.1
226.12003	3.2
239.62009	2.8
245.19040	29.3
246.19447	4.4
263.20096	9.6
271.16830	4.1
289.15158	4.3
289.18091	43.4
290.18686	3.6
307.10349	8.7
307.19135	100.0
308.19531	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01238	2.2
70.72884	0.8
71.01254	2.0
72.63172	0.9
80.84106	0.8
98.20544	2.7
102.96950	0.8
114.26868	0.9
135.04456	1.0
158.50226	0.7
161.02318	1.4
163.20853	0.7
183.34673	0.7
202.12704	0.9
307.22800	100.0
308.23132	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	309.2071
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03316	2.1
59.01251	10.9
60.80101	1.7
70.64764	5.1
70.68081	1.7
71.01266	4.0
73.02849	2.2
81.03335	3.8
83.01279	9.5
83.04893	3.5
85.02811	2.8
86.30367	1.6
96.95880	2.1
97.06487	2.9
101.02346	2.6
111.08047	2.2
115.93017	1.8
120.05714	1.8
123.04401	5.0
123.08010	4.6
125.09628	10.0
139.11186	8.6
141.09052	1.8
151.03900	6.0
151.07550	9.7
151.11165	2.3
152.08331	4.9
162.73854	1.7
163.11191	7.1
165.12778	17.9
167.10692	5.3
181.12286	3.0
183.13814	1.9
185.11559	1.8
191.10799	3.0
193.12233	3.0
193.15977	4.9
197.11783	4.4
207.10155	2.6
209.11777	52.6
209.15358	13.2
210.12071	3.3
247.20708	15.5
252.10020	3.0
265.17981	1.9
265.21671	4.2
273.18640	4.0
281.21213	2.5
291.19669	100.0
292.19931	10.7
309.11835	2.1
309.17044	17.7
309.20709	38.6
310.17737	2.8
310.20923	4.4
310.24017	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	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03310	1.3
59.01260	6.9
60.44823	1.0
64.96863	0.9
67.01772	1.8
69.03316	1.7
71.01254	1.8
73.02827	1.6
96.95895	2.5
97.02861	1.5
97.06520	1.3
101.02348	1.0
107.75232	1.0
111.08017	3.0
119.04941	5.0
120.75339	0.9
121.10131	9.8
123.08035	1.2
125.09627	8.2
137.09634	3.2
153.38225	1.0
167.14340	1.9
171.10168	6.0
180.78712	1.0
185.11766	11.1
197.11771	8.8
209.11739	1.5
211.13348	62.3
212.13684	4.5
223.13278	1.9
225.14836	1.6
247.20612	1.3
273.18509	1.0
291.19669	100.0
292.20032	9.6
303.85431	0.9
306.51340	1.0
309.20670	10.6
310.20877	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30022	1.4
57.03334	9.2
59.01252	6.5
66.86182	1.3
69.03331	3.4
71.04884	6.0
83.04895	6.5
85.06459	5.9
87.04382	3.4
97.02840	6.9
97.06479	2.8
102.38850	1.4
109.06465	6.8
111.04417	2.7
111.08037	2.0
125.05959	1.5
127.07510	1.5
167.10663	2.8
171.10167	1.8
179.14311	3.9
183.13924	1.8
193.12129	1.8
195.13840	33.1
196.14113	3.0
205.12212	3.2
214.81403	1.4
221.15431	28.7
223.13377	16.6
227.12727	1.5
229.46159	1.6
233.15547	1.7
239.16539	6.6
247.20621	5.1
251.16559	2.9
273.18555	5.2
291.19669	86.3
292.20053	8.6
309.20697	100.0
310.21048	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75491	0.9
59.01250	1.4
61.59949	1.0
66.00092	1.1
69.03318	2.1
71.00642	2.2
80.57556	1.1
93.06969	1.3
97.02792	1.0
109.06426	1.1
111.07302	1.9
111.08038	33.6
112.08334	2.1
127.07550	2.5
151.07556	1.4
152.08299	3.6
153.12709	1.7
163.11218	1.4
167.10593	1.5
169.12238	5.9
171.10156	1.1
174.12523	1.0
183.13849	1.9
197.11763	100.0
198.12123	5.7
199.13245	3.1
199.83612	1.0
209.15390	6.4
211.13351	10.6
223.16699	1.3
227.12794	2.7
247.20488	1.3
263.17545	0.9
263.20090	5.5
265.18018	3.8
273.18567	2.2
291.19644	20.1
292.19995	1.4
309.17020	6.8
309.20615	33.7
310.20853	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.8
59.01254	2.3
69.85326	4.4
73.02814	1.0
78.22621	0.9
96.89844	0.9
98.20511	1.8
109.06464	1.4
111.08048	30.2
112.08392	1.0
127.07523	3.7
137.09554	1.0
151.11186	1.7
153.12764	1.4
169.12225	6.6
181.12259	1.9
183.13731	1.2
193.12299	1.4
197.11772	100.0
198.12157	5.1
199.13313	4.4
206.26054	0.9
211.13359	9.3
227.12842	3.3
253.94955	1.0
261.68365	1.0
263.20126	7.9
265.18076	3.0
273.18539	1.5
291.19711	16.7
292.20193	2.7
309.17105	2.9
309.20682	31.7
310.20990	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	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03313	1.0
59.01237	2.0
70.43951	1.4
71.01247	0.6
71.30841	0.4
76.84211	0.4
80.69235	0.4
83.04906	0.8
85.02864	0.4
95.04927	0.9
97.02832	0.7
97.06449	2.8
111.08013	1.0
113.09602	3.2
115.07536	2.6
125.05929	1.0
126.06797	0.7
134.24875	0.5
137.09622	0.6
139.11130	0.9
141.09164	2.3
151.03903	0.8
151.07530	1.6
152.08281	1.0
163.11209	0.6
165.12743	4.2
167.10710	0.9
167.14326	2.4
169.12292	0.5
181.12263	4.7
183.13809	1.7
193.12274	2.5
193.15894	0.9
195.13770	1.7
197.11687	0.9
209.15422	1.7
211.13361	4.8
213.14841	1.4
221.15393	1.9
239.12888	0.6
240.13615	2.6
241.14380	1.2
247.20607	5.1
248.20969	0.6
263.20132	0.7
265.21704	0.9
273.18646	3.7
281.21146	2.1
291.19662	50.8
292.20029	4.3
305.59808	0.5
309.20694	100.0
310.21051	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.5
56.75485	1.2
57.03305	1.7
58.00471	2.6
59.01254	11.6
60.77124	1.2
69.03333	3.2
71.01250	3.7
71.07256	3.1
73.02812	4.3
83.01294	1.3
83.04865	1.8
85.02816	1.7
93.06937	1.8
95.01270	2.4
97.02855	2.1
97.06479	2.7
98.21977	1.4
99.00748	6.0
101.02317	1.9
101.05982	1.7
109.06476	1.7
111.08043	39.5
111.58445	1.6
112.08401	2.9
115.07500	2.0
119.08548	2.5
123.04392	2.2
125.09627	1.6
127.07514	3.4
133.02890	1.5
137.09589	5.4
139.11234	2.0
151.03915	19.9
151.06364	2.2
151.07552	35.8
151.11102	2.1
152.08345	29.3
153.09065	2.2
153.12759	3.5
155.10609	1.3
162.10381	7.6
162.14812	1.4
165.12796	1.5
167.10661	1.8
169.12268	7.6
171.10173	17.9
179.10698	1.9
180.07831	4.0
181.12209	2.8
183.10226	2.1
183.13766	8.2
184.07307	4.0
185.11775	4.0
190.09894	4.5
193.08585	5.1
193.12262	2.3
197.11760	100.0
198.12090	5.5
199.13370	2.9
208.10977	5.7
209.15414	54.9
210.15776	3.9
211.13319	23.9
212.13635	1.8
213.11263	2.6
219.17442	5.4
219.39885	1.7
225.14940	3.2
225.22668	1.6
227.12804	4.0
247.17096	5.0
247.20595	2.3
251.16521	1.8
252.09929	9.0
263.20096	5.0
265.18027	13.2
273.18594	4.5
281.17572	3.6
291.16269	3.3
291.19632	33.1
292.20023	2.6
309.17032	90.7
309.20679	55.6
310.17340	10.3
310.21024	4.6
324.41553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97252	0.4
58.97558	0.5
59.01253	4.5
69.03329	0.4
71.01249	6.8
73.02811	4.1
85.24940	0.5
87.00752	2.5
89.02316	28.1
90.02683	0.6
93.03336	0.7
100.03884	0.5
101.02327	0.8
101.42138	0.4
103.03880	2.4
107.04910	1.6
108.01981	0.4
109.02835	0.5
110.05031	0.5
119.04921	1.1
123.04420	0.4
131.03395	6.6
133.02864	1.1
134.03619	3.4
135.04414	35.3
136.04744	1.5
149.04456	100.0
150.04797	2.0
161.02325	4.0
163.03906	1.2
165.04018	0.6
166.27757	0.5
170.60666	0.4
175.44945	0.4
179.03418	25.4
180.03752	1.0
229.16661	0.6
251.11086	0.6
280.97592	0.5
281.09253	0.7
287.01816	0.8
311.07425	0.8
311.10425	1.4
311.22232	0.9
312.06567	0.9
315.01486	1.3
316.02484	0.7
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
54.94015	0.8
59.01258	1.9
61.77882	1.0
62.30375	0.9
69.57854	4.7
69.58263	2.3
71.01256	7.5
73.02814	5.7
87.00756	5.2
89.02320	36.6
103.03902	2.6
103.72832	1.0
105.01823	2.6
107.04961	1.1
119.04929	6.6
126.08021	1.0
131.03374	9.0
133.02866	2.1
134.03624	3.0
135.04427	34.9
149.04463	100.0
150.04700	2.5
161.02362	4.4
163.03894	3.6
165.03983	6.1
179.03406	15.1
247.40880	0.9
270.34192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27537	1.2
53.05738	1.2
59.01250	2.5
71.01257	6.8
71.04729	2.2
73.02817	3.2
81.60741	1.1
87.00749	3.3
88.32762	1.0
89.02314	28.4
93.03354	2.1
98.97459	1.0
99.00779	3.5
101.02301	2.2
103.03889	2.7
105.01809	1.7
109.02855	4.3
110.25154	1.2
111.00764	1.9
119.04919	67.8
120.05269	1.8
131.03438	7.7
131.82263	1.3
133.07684	1.0
134.03664	1.6
135.04417	34.0
136.04761	1.6
147.02890	5.0
149.04460	92.8
150.04771	1.3
160.05576	1.3
161.02361	4.0
163.03923	100.0
164.04240	3.8
164.53130	1.1
165.03912	5.4
177.05492	3.9
179.03418	17.3
210.99547	1.1
217.57454	1.0
221.04523	8.8
311.07611	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01721	0.5
59.01253	2.1
69.03326	0.5
71.01256	6.8
71.08851	0.8
71.39458	0.4
73.02818	5.2
76.33921	0.4
87.00739	3.9
89.02317	39.4
90.02666	0.7
94.29120	0.4
103.03890	2.6
107.04921	1.0
108.59080	0.4
119.04916	4.6
131.03407	7.9
133.02864	1.7
134.03650	2.9
135.04419	37.3
136.04721	1.5
149.04462	100.0
150.04829	2.5
158.19948	0.5
161.02368	3.5
163.03915	4.8
179.03421	16.4
311.07773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.00948	0.6
57.03320	0.7
57.48316	0.6
59.01248	100.0
60.01569	0.7
63.07931	0.7
69.86739	2.5
71.01247	7.2
73.02832	3.7
73.03193	0.7
83.01272	1.8
85.02820	4.1
87.00754	0.7
89.02340	2.9
95.01312	0.6
98.19908	1.0
99.00777	1.0
101.02332	5.5
107.99535	0.6
113.02352	2.2
134.03601	1.2
135.04413	13.0
149.04446	7.3
155.10757	0.6
159.02908	0.8
161.04456	3.2
163.03894	1.3
179.03433	5.7
224.31863	0.6
269.10361	3.4
287.02078	0.9
311.02057	0.7
312.06696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00116	0.3
55.01744	0.4
55.52562	0.3
59.01250	100.0
60.01586	0.4
61.11193	0.3
67.88611	0.3
69.76804	1.9
71.01243	3.4
72.99166	0.4
73.02834	1.6
75.00746	0.6
83.01276	0.6
85.02831	1.5
87.00741	1.9
89.02319	4.3
93.03323	0.4
96.34007	0.3
99.00790	0.4
101.02307	2.1
105.01825	0.5
109.02837	0.8
113.02333	1.1
114.53178	0.3
119.04917	1.1
121.02866	0.8
126.38846	0.4
131.03378	1.0
135.04417	3.9
135.44225	0.4
138.91499	0.4
149.02481	3.4
149.04456	18.0
150.04805	0.6
152.61198	0.4
156.99500	0.4
161.02367	0.6
161.04465	1.2
163.03976	1.2
164.04674	2.2
165.03943	0.6
179.03381	3.4
189.04352	0.5
223.06059	5.1
269.10355	1.9
285.09818	0.4
302.81226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.22421	1.1
57.03313	1.7
59.01255	14.0
68.13496	1.1
69.28862	8.4
74.02650	1.2
74.27080	1.1
89.02327	2.1
93.03336	2.1
94.62240	1.2
98.20567	2.5
98.23354	1.0
99.08047	2.5
111.00816	1.1
111.08038	1.2
113.09576	2.2
129.09128	5.7
135.04434	2.7
139.11194	3.1
139.30667	1.0
147.62408	1.1
149.04466	7.9
151.04044	1.4
161.04430	2.3
169.12305	1.7
171.10190	4.2
179.03355	1.4
181.12236	4.6
183.13786	3.1
193.12198	3.6
195.13858	2.6
197.11803	6.3
199.13336	1.9
211.13304	13.6
212.13821	2.0
251.11465	2.4
293.21219	26.0
294.21524	2.8
311.22269	100.0
311.29544	3.1
312.09564	1.1
312.22617	9.3
316.38425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.72553	1.0
52.62266	0.9
57.03322	1.8
59.01253	8.0
63.20463	1.1
70.37523	4.0
83.04900	1.7
92.27797	1.0
98.19875	1.2
99.08040	4.3
113.09616	2.6
129.09109	8.4
130.09465	1.2
139.11166	2.5
149.04457	2.0
153.12804	1.3
167.14316	1.2
169.12273	4.1
171.10229	4.3
181.12216	5.0
183.13861	2.8
193.12325	4.9
197.11771	14.9
199.13298	6.0
203.59183	1.1
211.13329	24.6
212.13637	1.3
265.21695	1.5
275.20184	2.6
278.77451	1.1
293.21231	25.2
294.21637	1.6
300.34711	1.2
311.22275	100.0
312.22595	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.86216	0.7
57.03316	3.1
58.64740	0.7
59.01250	11.2
71.01233	1.6
71.31612	0.9
73.02786	0.7
83.04900	1.1
89.02331	1.9
97.02817	1.4
97.06495	1.1
97.95612	0.7
97.98016	0.7
101.02336	1.4
113.40009	0.7
121.10120	1.8
123.08102	0.9
125.09624	3.9
127.11185	5.6
135.04448	1.6
137.09605	1.6
139.11183	17.1
141.30974	0.8
149.04433	3.7
149.06023	0.7
151.11156	1.5
153.09172	1.0
155.10693	3.1
161.04451	1.3
163.03864	0.8
165.09111	1.6
167.10710	1.5
171.10187	82.1
172.10484	2.9
183.10188	8.0
185.11757	16.5
186.12048	1.1
193.12183	1.7
201.11272	14.0
201.13043	1.5
202.11539	1.4
211.13362	2.1
251.11426	1.5
275.20139	8.6
293.21225	29.8
294.21490	1.9
301.84464	0.8
311.22269	100.0
312.22562	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.67587	1.3
57.03315	1.8
59.01247	12.8
71.01263	2.6
71.52511	1.7
81.03304	1.1
83.04878	1.5
83.79755	1.1
89.02312	2.4
99.08021	2.5
113.09601	3.5
119.04951	2.5
125.09609	2.1
125.44053	1.2
129.09082	6.5
135.04417	4.2
139.11176	3.4
149.04475	6.6
151.11206	1.9
155.10657	2.3
169.12265	3.2
171.10193	18.9
181.12244	5.3
183.01151	2.0
183.13910	2.4
185.11766	3.2
197.11789	8.9
199.13316	4.9
201.11227	3.4
205.08562	1.2
211.13327	15.4
212.13672	1.3
251.11281	2.8
275.20175	3.2
293.21188	19.7
294.21548	2.1
311.13025	3.0
311.16949	5.8
311.22278	100.0
311.29565	3.8
312.22580	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.12722	0.4
57.03316	0.4
57.30633	0.3
59.01249	5.2
69.53333	0.5
70.63405	1.2
71.01232	0.9
76.85178	0.4
83.04807	0.3
89.02310	0.8
97.02824	0.5
97.06457	0.8
99.08054	0.4
101.02361	0.4
113.09591	1.1
115.07519	1.5
119.71439	0.4
127.07539	0.8
128.08315	1.0
135.04404	0.8
149.04416	1.8
152.80698	0.3
167.14354	4.2
183.01143	0.8
183.13828	2.7
189.53481	0.5
189.55379	0.5
195.13844	11.1
196.14165	0.6
205.08597	0.8
211.13330	1.0
213.14938	1.5
242.15227	0.9
249.22240	0.8
251.11153	0.5
252.88222	0.4
254.09142	0.4
265.21707	0.9
267.23279	0.7
275.20090	0.6
283.22934	0.7
293.21216	8.4
294.21625	0.9
311.22278	100.0
312.22617	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
50.56134	0.2
54.38174	0.2
58.34951	0.2
59.01244	0.8
71.01244	0.3
71.52763	0.2
77.03857	0.2
85.02821	0.3
89.02345	0.3
93.03336	0.4
99.24649	0.2
101.02316	0.2
109.02831	1.1
119.03381	0.2
121.02844	100.0
122.03175	3.2
145.02892	0.3
180.05716	1.1
181.06509	4.8
181.08139	0.3
182.06833	0.3
225.05531	6.4
226.05838	0.4
253.09245	0.3
269.08234	0.2
313.07190	13.5
313.10623	0.5
313.14682	0.6
313.23834	0.4
314.07468	1.1
314.14548	0.2
321.39423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
58.47318	0.4
68.99701	3.3
69.36391	3.5
100.75916	0.4
105.65887	0.4
112.89202	0.4
117.03365	1.2
135.00832	0.4
141.03343	3.5
155.04878	0.6
167.04868	0.8
171.04448	0.7
182.03624	0.5
183.04453	6.1
185.05969	1.8
187.03947	1.7
198.03177	1.9
211.03958	15.4
212.04333	0.9
213.02136	0.7
213.05510	9.3
214.05861	0.6
226.02676	9.7
227.03436	9.1
228.03790	0.6
240.04245	0.4
241.05038	59.8
242.05394	4.2
254.02139	1.1
255.02977	94.8
255.26877	0.4
256.03323	6.3
262.42285	0.4
269.04556	17.0
270.05322	40.4
271.05701	2.7
283.02594	0.8
297.03937	2.2
298.04831	50.5
299.05191	3.6
313.07181	100.0
314.07489	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	313.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76421	1.5
74.86845	0.3
81.03361	0.4
83.37299	0.3
108.02058	1.1
109.02837	100.0
110.03181	2.9
113.06979	0.2
129.47403	0.3
149.04453	0.5
161.23276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0929
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
52.30020	0.1
54.58548	0.1
59.01236	0.2
59.59819	0.1
71.22657	0.3
81.03343	0.2
91.01767	0.2
108.02055	1.2
109.02837	100.0
110.03165	2.1
131.98872	0.1
151.03854	0.2
313.09259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0146
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
63.02275	8.7
65.00193	24.6
68.99680	1.0
69.25832	1.0
70.75705	0.8
79.01759	1.8
81.03268	1.0
83.01253	10.5
89.03818	0.9
91.01756	2.3
93.03335	2.7
95.01273	4.6
96.35520	0.9
107.01275	31.7
109.02843	3.8
109.99986	6.4
111.00749	2.2
115.05431	2.1
116.86989	0.9
117.03342	2.3
117.78073	0.9
119.01267	1.6
119.04845	2.0
121.02835	4.2
123.00803	4.8
124.01547	1.4
125.02326	4.2
127.05383	1.0
129.03326	1.4
131.04942	2.4
132.54933	1.0
133.02831	4.6
135.00784	11.0
135.04428	1.3
136.98692	2.0
137.99507	1.3
139.00293	3.8
139.03929	4.7
143.04893	7.0
145.02861	5.2
147.00822	2.0
147.04466	5.9
149.02315	8.1
149.99457	2.6
151.00273	100.0
152.00859	4.3
155.04924	1.8
157.02890	2.3
158.03615	1.6
159.04419	8.8
161.02318	6.0
163.00288	8.3
163.03976	3.4
164.01082	1.4
164.98196	3.8
165.98993	2.2
169.01328	3.6
171.04449	11.3
173.02377	4.7
174.03105	1.5
175.00296	3.2
175.03922	6.0
177.01859	6.2
177.99091	1.3
178.99780	47.9
185.02388	3.3
187.03961	12.8
189.01843	5.3
191.03455	3.9
194.99344	0.9
197.02370	2.0
198.03169	2.1
199.03960	7.8
201.01839	5.6
203.03458	8.9
205.01303	1.1
213.01862	2.9
214.02658	2.8
215.03436	19.9
217.01332	5.2
219.03084	4.7
226.02614	1.2
227.03487	2.2
229.01399	3.3
231.02878	9.3
241.01309	2.0
243.02986	17.8
244.03279	1.2
245.01071	2.6
258.01736	1.2
259.02496	17.2
269.01169	1.6
270.37781	1.1
271.02475	13.5
287.01987	41.0
288.02350	2.9
297.00562	1.1
315.01480	77.5
316.01965	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35129	0.2
63.02273	0.4
65.00212	0.5
69.17851	1.1
69.18275	1.1
83.01244	0.3
105.01180	0.2
107.01274	1.9
108.02052	1.4
109.02829	0.3
123.00788	0.3
124.01565	0.8
135.00771	0.4
139.39473	0.2
147.29028	0.3
148.01575	1.9
149.99432	0.3
151.00278	3.6
152.01077	0.3
163.00247	0.7
164.01067	0.8
187.03879	0.3
192.00645	0.3
199.03896	0.9
211.04005	0.4
215.03452	0.8
216.04221	0.5
226.02687	0.6
227.03438	2.8
229.01312	0.3
243.02968	7.9
244.03531	1.0
254.02129	1.3
255.02972	17.7
256.03381	1.2
271.02481	37.6
272.02975	4.6
298.61002	0.2
299.02103	1.2
300.02747	100.0
301.00323	0.1
301.03088	9.0
315.05112	33.5
316.05450	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	315.0511
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.57088	0.4
55.01742	0.5
57.03333	0.4
59.01261	2.0
59.66175	0.4
63.02272	6.5
65.00194	3.6
69.29220	2.1
69.29646	1.8
71.01252	5.0
73.02809	1.0
83.01257	7.4
85.02790	2.2
85.58592	0.4
86.55158	0.4
89.02287	0.5
89.18673	0.5
89.98833	0.4
95.01244	0.9
98.20536	0.6
99.00758	0.7
99.48534	0.4
101.02351	2.4
107.00545	0.5
107.01277	11.1
108.02071	2.3
109.77416	0.4
113.02297	1.7
120.02020	0.6
123.00725	0.9
124.01577	2.9
125.02332	0.4
135.00764	1.3
136.01530	1.3
137.50777	0.4
148.00024	0.3
148.00417	0.5
148.01572	5.1
149.99483	1.5
151.00279	19.8
152.00914	0.8
159.02895	0.5
161.02353	0.5
161.04457	0.5
163.00290	4.1
164.01073	6.3
169.01288	1.6
174.03154	0.5
183.04420	0.6
189.01839	0.7
199.03871	0.7
202.02640	0.7
203.03383	0.6
211.04196	0.5
215.03432	1.4
216.04297	2.1
227.03377	2.9
228.04056	0.5
243.03050	2.5
244.03876	0.5
255.02982	3.5
271.02493	6.2
272.03348	2.1
283.02463	2.9
299.02151	0.9
300.02759	81.0
301.03067	6.5
315.05109	100.0
316.05484	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Tricetin 4'-methyl ether
Peak:m/z	Relative Intensity
59.32751	0.3
65.00195	0.5
89.45511	0.3
95.46886	0.3
96.12397	0.3
107.01291	0.9
108.02055	2.6
109.02841	0.3
135.00778	1.0
148.01555	2.6
151.00262	1.0
163.00250	0.7
164.01077	1.1
170.61227	0.4
183.04457	0.3
192.00542	0.4
198.03105	0.4
199.03902	1.1
200.04771	0.3
201.01927	0.5
203.03490	0.4
211.04036	0.5
215.03452	0.9
216.04297	0.5
226.02692	1.5
227.03482	3.0
243.02956	12.5
244.03433	1.4
254.02235	1.9
255.02972	25.3
256.03311	2.1
271.02478	59.4
272.02896	5.1
299.01907	1.4
300.02744	100.0
301.03067	7.6
315.05096	47.1
315.15460	0.4
315.21725	0.4
316.05490	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.96175	0.4
71.01259	2.3
73.02804	0.5
81.03326	1.2
83.01266	0.9
83.23660	0.4
85.02825	1.9
86.75404	0.5
88.66862	0.4
88.68702	0.4
93.03329	0.7
95.01270	1.2
101.02322	1.1
107.01269	0.5
108.02048	100.0
109.02848	42.2
110.03147	1.2
113.02323	0.9
121.02819	0.8
123.00740	1.1
123.04418	0.8
125.02367	0.4
133.02823	0.5
135.04401	0.8
148.40868	0.5
151.00279	0.7
151.03908	1.7
152.01053	62.2
153.01833	53.9
154.02147	1.8
163.03903	1.2
165.01851	2.3
177.01836	1.3
195.02863	0.9
237.08989	0.4
244.66533	0.4
315.07196	99.7
316.07523	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.85988	0.6
57.01638	0.7
70.99383	1.8
71.01241	1.4
81.03336	0.8
85.02811	2.0
95.01253	1.3
101.02293	0.9
108.02051	79.2
109.02854	25.9
111.80351	0.6
113.02331	0.9
123.00765	1.5
123.04376	1.1
125.02320	1.0
151.03867	2.0
152.01059	54.5
153.01848	37.8
154.02094	1.0
155.62073	0.6
163.03903	1.0
165.01851	2.3
181.04979	1.0
188.49097	0.6
195.02910	1.0
201.34995	0.7
225.04115	0.9
315.07217	100.0
316.07593	5.1
317.32095	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	315.2539
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
54.42704	0.3
57.03288	0.4
58.00471	0.8
59.01244	0.4
60.18262	0.3
69.74319	0.3
70.72172	1.1
86.66886	0.3
105.17356	0.4
123.04420	0.5
125.09598	1.2
127.11192	2.6
139.11165	0.6
141.12744	4.1
143.10674	1.4
149.83736	0.3
153.05455	0.7
155.10703	1.6
157.12321	0.5
166.42865	0.3
169.12302	0.6
171.10173	4.6
171.13812	0.9
201.11189	1.7
239.23749	0.4
261.22458	0.5
279.23306	2.3
295.22781	1.3
297.24335	7.4
298.24634	0.8
300.02777	0.9
311.22314	0.8
313.23819	7.9
315.25385	100.0
316.25720	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	317.0302
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
53.00114	1.6
57.03324	3.4
59.01229	2.3
63.02261	10.2
65.00189	13.4
67.01759	2.7
68.13216	1.6
71.33913	3.5
81.33476	1.7
83.01263	13.7
91.01766	2.9
92.83129	1.6
93.03318	4.1
95.01268	15.2
107.01273	24.0
108.02071	3.0
109.02834	95.2
111.00766	9.3
120.54248	1.8
121.02853	3.2
123.00767	9.3
124.01555	7.0
125.02343	27.7
133.02823	3.2
135.00789	10.3
136.98715	3.8
137.02348	20.9
137.91853	1.6
139.00256	14.7
139.03922	3.9
147.00845	2.4
149.02345	7.5
151.00270	73.3
152.01067	16.6
153.01854	29.2
159.04480	4.3
161.02353	3.0
163.00276	51.1
164.00987	7.2
165.01784	3.0
166.99724	8.2
169.01361	7.1
171.04430	3.0
173.02423	1.9
173.06061	2.2
174.03163	1.8
175.03897	4.9
178.99773	50.0
180.00186	3.4
181.01321	5.2
183.04486	4.0
187.03979	4.4
189.01860	2.4
190.99786	39.5
192.00499	2.0
193.01352	6.3
194.99333	5.1
199.03909	8.7
201.05566	3.2
203.03494	5.6
206.99301	26.1
208.00079	15.0
211.03986	6.9
215.03510	4.1
217.05040	6.5
219.03079	2.0
227.03450	18.3
230.02081	2.1
231.02994	9.3
243.02979	6.1
245.04570	9.7
255.02965	22.9
256.03564	2.0
257.11597	2.0
271.02481	26.0
272.02850	1.8
273.04031	13.8
289.03723	3.1
299.01923	33.0
300.02448	2.7
317.03015	100.0
318.03381	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	317.0667
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
57.03322	14.3
63.02281	3.3
64.30279	0.6
65.00200	7.0
68.28831	0.6
69.33274	1.1
69.33681	4.4
73.02826	0.9
74.44355	0.8
81.03342	1.0
83.01258	9.5
95.01260	8.8
107.01265	5.1
109.02863	1.5
111.00760	3.3
113.02326	1.1
114.54543	0.6
122.03635	1.5
123.00769	4.3
124.01556	14.1
125.02338	100.0
126.02665	2.3
137.02347	1.3
137.09616	1.1
139.00275	1.9
146.03635	1.8
149.02383	3.2
150.03159	1.9
151.00270	13.0
151.03824	0.6
152.01059	25.8
153.01801	2.8
155.10680	15.2
163.03932	1.2
169.01340	1.3
172.05243	0.8
176.01120	0.9
178.99780	11.6
185.05968	0.8
186.06810	1.1
187.03897	1.4
188.04782	3.0
192.04228	8.0
199.09679	8.2
207.06511	6.6
208.06937	0.7
212.04799	0.8
213.05507	1.3
214.06276	2.3
215.03450	1.6
216.04213	2.9
229.04950	0.8
229.08676	2.6
230.05785	3.5
231.06596	6.6
256.03821	0.9
257.04523	0.9
258.05231	4.5
259.48248	0.7
273.07690	14.3
274.04932	3.6
274.07654	1.1
275.05560	0.8
284.03217	1.9
289.07184	70.7
290.07538	4.3
299.05579	1.7
302.03311	0.8
317.06644	60.8
317.16190	2.7
318.06931	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.4
69.47433	2.0
71.01261	0.8
73.02829	3.0
73.44267	0.2
75.00774	0.4
96.04466	0.3
99.88619	0.3
109.02859	0.3
117.01884	0.5
135.02876	0.4
135.08086	1.4
137.09622	7.9
149.02376	0.3
150.49020	0.3
153.00653	0.3
155.10687	100.0
156.11021	4.5
156.12210	0.4
185.11794	0.3
198.75824	0.3
199.09708	60.1
200.10069	3.4
237.99281	0.2
245.03629	0.7
256.03235	0.3
257.03485	0.8
264.89450	0.3
271.02618	0.3
272.02884	0.4
273.02994	2.5
301.02948	0.4
302.03284	3.9
303.03796	0.3
317.06134	2.1
317.12399	10.6
318.05942	0.3
318.12726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
57.20527	0.2
59.01253	0.8
70.91621	0.7
71.01257	0.4
73.02817	2.9
85.02816	0.8
96.95870	0.3
97.06493	0.3
101.02357	0.3
109.02831	0.5
121.02839	2.4
130.66510	0.2
135.08072	0.7
137.09618	6.7
151.00374	0.3
155.10683	100.0
156.11024	5.0
163.00319	0.3
165.01865	2.5
169.01599	0.3
169.32228	0.2
181.08629	0.5
199.09692	70.9
200.10023	4.4
211.03909	0.3
229.04991	1.5
229.08942	0.4
231.02962	0.5
273.04120	0.5
273.12451	0.7
317.03162	0.4
317.16034	25.9
318.16437	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1606
Annotation	Kankanoside D
Peak:m/z	Relative Intensity
51.07789	0.3
59.01252	0.9
61.98708	0.4
63.32772	0.2
71.01260	0.5
71.53613	0.4
73.02821	2.6
75.00729	0.3
83.01233	0.4
108.02119	0.3
109.02856	0.5
110.74574	0.3
125.02421	0.3
135.08092	0.6
137.02374	1.3
137.09625	5.7
139.55942	0.3
151.00288	1.1
155.10683	100.0
156.11031	3.8
178.99734	0.6
181.08636	0.4
199.09691	55.9
200.10045	3.5
213.05397	0.3
229.13348	0.3
273.12582	0.4
275.18536	0.7
285.07724	0.6
302.03363	0.8
317.02869	1.3
317.06369	0.5
317.12524	1.3
317.16022	18.0
317.19321	0.7
318.16284	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Dihydromyricetin
Peak:m/z	Relative Intensity
53.58667	1.5
57.03325	11.1
65.00185	4.1
69.82771	8.8
83.01260	5.9
93.03323	4.1
95.01254	3.3
104.91611	1.5
107.01283	4.7
109.02835	15.0
110.90524	1.3
111.00737	4.1
111.04385	1.8
121.02834	4.5
123.00769	5.6
124.01530	4.0
125.02332	66.4
127.00261	1.9
133.86485	1.5
135.04475	1.8
137.02342	17.3
139.00319	3.7
139.03889	13.8
141.01790	2.7
145.02815	3.1
147.00768	5.0
149.02354	5.1
151.00282	17.2
152.01050	3.4
153.01869	14.9
159.04384	3.3
161.02319	1.7
163.03897	2.3
164.01067	1.7
165.01852	17.5
166.02545	2.3
167.03384	8.4
169.01317	2.9
175.00288	28.4
175.03831	2.1
177.01860	2.7
178.99742	13.6
181.01329	3.0
187.03967	3.6
189.05528	2.0
190.02470	1.7
191.03444	19.0
193.01361	100.0
194.01808	3.5
207.15276	1.6
215.03401	8.8
219.02945	1.8
229.05022	1.8
232.19135	1.9
233.04482	3.8
257.04468	10.2
275.05710	2.8
301.03586	11.6
319.04541	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	321.0615
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
59.01242	3.8
67.01754	3.1
69.94659	8.9
69.95071	4.5
71.01255	4.3
81.03316	8.1
83.01260	7.3
85.02822	24.1
89.14022	2.4
93.03323	6.8
95.01273	7.6
95.04895	3.9
97.02823	10.9
98.20515	3.7
99.00769	9.3
99.04437	3.5
105.03342	2.6
108.02097	3.6
109.02840	55.3
111.00771	39.9
113.02305	6.3
116.13006	2.4
119.04904	3.7
121.02844	9.5
123.00793	12.9
123.04405	15.0
124.01528	5.0
125.02351	53.6
126.02698	4.7
127.03962	3.7
135.04422	6.0
137.02338	38.3
139.00275	37.4
139.03926	10.3
140.01064	3.4
141.01839	36.8
145.02800	2.4
147.04430	3.1
149.02348	40.7
150.03117	6.1
151.00183	3.5
151.03926	11.2
152.92744	3.0
153.01840	93.3
154.99770	31.0
159.04428	3.6
161.02374	20.5
161.06021	2.9
163.03896	8.1
165.01840	16.9
167.03358	13.0
173.05952	3.7
174.03201	2.8
174.05954	2.8
175.03937	20.0
177.01826	21.1
179.03458	4.1
181.01341	4.3
181.04987	12.0
183.02962	4.6
187.03949	4.4
188.04726	2.8
189.05455	5.8
191.03476	7.4
193.01379	3.8
193.05035	3.4
195.02905	8.2
197.05884	3.3
199.03928	4.2
201.01823	3.6
203.03398	4.6
205.04973	4.6
213.05460	4.8
215.06946	3.0
216.04417	3.3
217.05005	19.1
231.02826	4.1
231.06590	6.9
233.04514	3.5
235.06088	7.3
241.04985	9.3
257.04404	4.0
259.06100	17.8
275.05713	4.5
277.07245	4.0
285.04041	13.8
303.05130	31.4
304.05536	2.7
321.06134	100.0
322.06430	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	321.0615
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
57.03330	3.9
59.01239	5.9
67.01752	8.7
68.99669	4.1
69.03323	6.1
71.01254	8.6
71.52803	3.5
72.99190	4.7
73.02814	4.2
81.03330	10.6
82.66862	3.2
83.01239	11.5
85.02816	26.3
87.00741	3.3
93.03353	10.6
95.01261	10.3
95.04897	7.5
97.02825	11.8
99.00753	9.9
101.02271	3.6
108.02055	4.4
109.02140	6.2
109.02844	85.7
110.03204	3.5
111.00767	49.1
111.04397	6.2
112.22744	2.7
113.02339	8.1
113.05975	3.3
119.04858	3.9
121.02843	14.4
122.03621	6.5
123.00768	21.1
123.04435	20.1
124.01556	7.5
125.02336	91.2
127.00278	6.2
127.03932	3.8
133.02820	4.1
135.04410	8.4
137.02364	43.7
137.05998	4.2
138.02605	3.1
139.00273	43.8
139.03917	15.7
140.00992	5.2
141.01831	42.0
147.04404	7.1
149.02354	59.4
150.03131	10.0
151.03891	16.5
153.00656	6.6
153.01845	100.0
154.02251	3.9
154.99763	28.4
161.02374	15.9
161.05977	5.8
163.03908	14.7
164.01147	4.3
165.01860	20.4
166.02542	5.2
167.03406	23.6
171.04417	4.2
173.04527	5.3
173.06035	5.1
174.03261	4.2
175.03922	21.2
177.01898	29.1
177.05402	3.4
179.03545	6.4
181.01245	8.5
181.04947	9.7
183.02846	4.7
187.03917	5.1
188.04707	3.7
189.05479	9.7
189.11266	10.2
191.03462	6.5
193.01439	3.6
195.02939	10.7
199.03957	5.0
205.04984	9.8
207.53047	3.8
211.70096	3.1
213.05559	4.9
215.03346	4.3
215.07097	3.8
217.05014	24.0
231.02898	5.4
231.06512	4.2
233.04443	4.2
235.06082	5.2
241.05049	9.8
243.02899	3.5
257.04437	5.7
259.06088	16.3
275.05563	5.7
285.03983	14.2
303.05066	26.2
304.05463	4.3
321.02515	6.0
321.06177	76.5
322.06470	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	321.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79979	0.6
57.03325	0.9
59.01251	100.0
69.18736	0.6
69.55064	0.6
71.10269	0.9
71.10588	0.7
93.03368	0.8
117.03350	17.8
118.03660	0.8
119.01344	1.1
119.04951	2.7
123.76685	0.8
134.03668	0.9
135.04405	2.2
145.02856	72.8
146.03162	3.8
147.00758	1.5
159.46011	0.6
163.03946	4.1
164.63580	0.6
166.02586	1.0
171.68703	0.7
175.00273	8.2
175.06039	10.0
181.05014	1.0
190.02646	17.8
205.04994	15.7
205.06839	1.0
206.05353	1.0
207.02969	2.6
208.47983	0.6
214.35146	0.7
247.06152	1.2
261.07764	2.6
262.08563	1.0
265.30557	0.6
276.09656	0.7
277.10995	1.1
291.05176	1.1
306.07526	3.5
321.09818	13.7
322.10297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26057	1.8
57.95133	1.7
58.02848	1.8
59.01250	44.5
63.37196	2.1
69.18112	6.3
69.18533	14.4
70.02879	2.1
71.01254	23.4
73.02827	1.9
78.23952	1.8
84.04413	8.1
85.02837	5.3
89.02328	25.5
93.03336	3.2
101.02310	11.9
113.02362	10.0
113.02994	1.7
114.05495	7.1
116.04966	16.5
119.03405	6.3
119.04920	93.8
120.05215	2.4
124.06450	2.3
128.03432	51.0
146.04439	2.0
160.03969	27.6
161.04436	4.0
161.82689	2.1
163.03922	100.0
164.04358	4.3
176.05562	73.5
177.04088	2.8
202.05046	11.7
202.82881	1.7
232.06163	3.4
262.07230	15.9
307.23157	2.0
322.09372	22.4
323.09607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.5
59.01252	100.0
66.61412	1.8
71.01256	8.9
71.04881	2.9
71.53374	2.4
73.02818	5.3
75.00754	3.1
85.02821	5.1
87.00744	4.8
89.02349	2.8
96.95928	2.4
99.00751	2.6
101.02303	5.6
113.02320	4.1
117.01846	8.1
117.05476	2.6
119.04917	72.5
135.02904	12.5
139.10265	2.0
143.03412	4.8
145.02846	8.5
159.02927	7.7
160.48817	2.4
161.02382	4.9
161.04462	33.2
161.88850	2.4
163.03918	96.8
164.04248	3.2
177.03964	48.8
247.76862	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1284
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
57.01241	0.7
59.01254	12.2
69.43002	4.8
71.01240	4.4
81.64922	0.8
85.02805	3.2
87.00754	1.2
89.02321	3.4
91.01770	35.2
92.02110	1.0
98.19883	1.8
101.02316	1.7
113.02323	3.7
117.88219	0.9
119.03394	0.8
132.05705	41.0
133.06117	1.2
135.00772	33.8
136.01183	1.0
143.03394	1.1
149.02271	1.1
153.01839	50.1
154.02148	1.9
160.53490	0.8
161.02321	1.0
161.04422	2.5
164.04704	23.3
165.04987	1.3
187.11208	100.0
188.11591	5.5
286.28613	1.0
323.09769	2.5
323.12875	69.3
324.13223	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03307	3.3
59.01254	35.8
71.01254	11.8
71.52366	3.2
85.02827	5.3
87.00751	1.9
89.02319	8.3
98.64192	1.8
101.02310	6.9
113.02351	11.1
113.12427	1.8
124.61890	1.7
125.09599	2.2
131.85918	1.8
147.54628	1.9
161.04427	5.9
165.12747	7.4
175.99936	1.8
176.29495	2.2
181.12314	2.4
183.13881	2.4
190.25552	2.0
191.14383	2.4
193.12407	2.5
193.15793	2.6
212.56621	2.0
237.14937	4.2
247.20575	5.1
273.18842	3.8
291.19666	97.2
292.20023	9.1
305.21286	2.8
308.19910	7.2
323.09601	4.9
323.22260	100.0
324.22446	10.6
330.98984	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	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
54.06213	0.3
54.22844	0.4
59.01155	3.7
59.01479	0.7
69.98512	0.4
70.26582	0.9
70.26976	0.8
71.01156	1.3
71.01502	0.4
73.02772	0.4
77.76121	0.3
85.02703	1.2
86.65385	0.3
89.02229	1.0
95.01158	0.5
97.06419	0.5
101.02219	0.6
113.02206	1.4
113.09491	0.4
123.04277	1.1
137.05923	0.9
137.09531	0.4
139.03778	0.4
139.11087	0.4
156.04117	0.8
161.04356	1.4
165.09010	1.6
165.12639	1.5
167.14256	0.4
179.10706	0.4
184.48553	0.4
189.12701	0.5
193.12146	0.6
207.13805	0.7
217.16026	0.9
225.14854	0.7
226.12053	0.4
251.49808	0.4
261.22205	3.7
262.22440	0.5
276.19547	1.1
279.23077	0.5
287.20087	0.9
291.19614	0.7
305.21213	100.0
306.21567	9.2
323.09973	0.8
323.22278	18.4
324.22470	1.8
327.65363	0.4
348.05774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2179
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
51.34018	2.4
53.47504	2.5
55.68567	2.4
57.03317	21.6
59.01248	18.2
66.01541	2.4
69.58464	18.1
70.84520	2.2
71.01260	5.6
79.32769	2.4
82.02874	3.9
83.01248	9.2
83.04881	2.9
84.04472	2.7
85.02833	5.7
89.02307	3.6
94.02855	8.7
95.28249	2.6
98.20539	3.2
101.02302	4.8
108.02059	4.4
112.03926	13.6
113.02333	4.5
121.01653	2.9
123.03133	2.5
126.59333	2.4
127.63277	2.4
135.03140	2.8
139.02620	6.5
160.61804	2.5
179.14363	3.4
181.15871	2.6
193.07117	4.7
195.17493	2.9
197.19044	7.6
221.18970	5.7
223.20628	13.3
237.18687	5.7
239.20123	100.0
240.20480	8.3
248.20073	4.5
249.18532	29.0
266.21237	9.0
267.19647	2.7
276.19720	39.3
277.20071	4.5
278.14108	2.8
282.15149	2.5
294.20712	36.6
325.11234	4.0
325.18207	5.2
343.46832	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	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.54346	0.7
53.30183	0.8
59.01234	4.1
66.70884	0.9
68.88541	0.8
69.03312	0.9
69.63741	4.6
71.01244	2.7
72.21230	0.8
72.49681	0.8
72.99224	0.8
77.19289	0.8
79.56530	0.7
85.02802	0.8
86.16019	0.8
91.97149	0.7
93.03334	2.4
101.02338	1.2
109.02823	1.8
117.03354	2.2
119.04913	98.1
120.05227	3.4
121.02808	1.5
123.04351	1.3
123.93309	0.8
127.80926	0.7
135.04402	1.8
137.02345	1.8
145.02852	9.6
149.02310	1.7
149.04453	1.0
151.04008	1.0
161.05925	0.7
163.03914	100.0
164.04245	5.1
173.04457	2.9
176.01006	0.9
177.01822	0.8
179.03355	1.8
191.05424	1.5
245.08099	0.9
271.58951	0.7
279.20251	0.9
289.07159	8.4
297.19977	0.8
314.78885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03318	1.8
59.01246	11.4
59.80437	1.0
69.31577	5.3
69.32002	3.2
71.01246	6.4
71.04932	1.1
73.02820	1.6
73.29876	1.1
80.02552	1.2
81.03325	1.1
83.04891	6.7
84.02031	3.1
85.02818	2.8
88.98682	4.0
89.02319	2.6
93.03288	1.1
95.04908	1.2
97.02814	1.3
97.06454	2.1
99.08046	2.9
101.02309	2.8
109.06414	1.1
111.08034	2.8
113.02306	1.1
113.05960	1.0
115.07523	1.9
116.79736	1.1
123.83244	0.9
125.09603	2.4
127.07540	12.7
135.08038	1.0
139.07571	2.7
155.10686	3.0
161.04420	1.2
163.06062	1.1
163.11218	6.3
165.12752	2.9
171.10178	1.2
178.09929	2.8
185.11757	13.2
191.10745	2.2
193.07059	2.2
197.11783	15.4
204.01559	1.1
207.10161	1.6
209.11768	100.0
210.12093	4.8
211.13268	1.2
227.12788	4.5
235.13145	1.1
236.10509	1.7
237.11316	1.4
238.12076	5.2
245.19133	1.5
253.12767	1.2
255.12282	2.2
256.13104	1.9
267.12112	1.0
289.18088	4.8
307.19141	71.5
308.19507	5.2
325.11188	2.9
325.16992	1.2
325.20190	28.7
326.20667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03316	8.1
59.01254	22.5
63.81075	1.4
66.78983	1.4
67.01745	1.7
69.03315	5.3
71.01244	7.3
71.04893	10.3
71.19234	2.1
73.02837	3.5
80.02552	2.1
83.04884	8.0
85.02819	3.0
85.06471	3.9
87.04384	4.8
89.02349	1.7
91.05394	2.4
93.03343	3.3
95.04908	3.2
97.02841	5.8
97.06457	5.3
99.04374	1.9
101.02323	4.5
107.04893	2.4
109.06476	41.7
111.04359	1.8
113.02335	2.1
114.30936	1.8
115.07594	1.6
125.05978	4.5
127.07522	4.0
135.04385	2.0
136.25612	1.5
151.11237	2.1
153.12755	2.1
165.12730	1.5
167.10695	1.8
169.12239	9.3
171.10085	2.2
181.12238	6.2
183.13834	6.4
193.07191	4.3
193.12286	5.8
195.10280	1.9
197.11765	88.6
198.12167	4.1
199.13368	7.4
211.13353	51.0
212.13661	4.4
214.57184	1.4
219.13889	3.3
223.13344	1.6
227.12856	4.2
231.03839	1.5
231.13971	1.8
235.13301	7.7
237.14922	6.4
249.15009	5.0
289.18137	7.9
307.19095	6.0
325.11624	4.3
325.20197	100.0
326.20648	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.69325	0.6
55.26530	0.7
59.01247	3.7
70.64169	2.0
76.89273	0.7
85.02811	0.9
96.47551	0.7
107.22775	0.8
120.24304	0.7
149.09624	90.7
150.09973	5.1
157.81610	0.8
163.11195	100.0
164.11528	6.2
182.99504	1.2
183.01143	24.0
184.01860	2.0
216.00877	1.2
229.54443	0.7
254.62767	0.7
265.25369	0.9
287.13348	0.7
325.18347	42.4
325.21762	88.3
325.27686	3.0
326.18686	4.6
326.22095	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	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24684	0.3
50.60374	0.3
55.01754	1.0
56.41419	0.3
59.01252	1.0
71.01247	1.5
71.39286	0.7
72.99200	0.6
75.00748	14.8
87.00753	10.4
89.02305	0.9
93.03325	1.0
99.00751	1.4
101.02335	0.9
105.01813	11.9
107.04899	0.5
108.84029	0.4
119.03381	0.5
123.04439	1.0
129.01851	2.4
130.03044	0.3
133.02827	0.4
134.03647	2.4
135.04416	22.3
136.04761	0.9
137.02348	0.9
140.54778	0.4
147.02893	2.9
147.04019	0.5
149.04469	0.7
151.03934	0.4
161.02351	0.7
165.03957	100.0
166.04272	2.6
173.04552	0.7
177.01865	0.9
179.03429	16.6
180.03775	0.7
191.05591	0.6
327.07263	1.4
328.08673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.7
69.73093	6.3
71.01260	6.5
73.02821	5.5
80.58044	0.9
81.03340	1.9
87.00771	7.4
89.02319	30.2
93.03309	1.3
95.01276	1.2
95.04894	2.6
101.02271	1.3
103.03884	2.0
105.01818	6.6
105.03336	3.7
107.04893	5.0
108.02041	1.6
109.02810	4.1
121.02843	3.9
122.03609	3.8
123.04413	100.0
124.04732	4.1
125.02312	4.2
131.03395	8.4
133.02856	32.5
135.04417	8.7
137.02332	3.7
149.02379	4.2
149.04460	97.6
150.04869	2.4
151.03911	33.9
152.04276	1.6
165.03944	25.6
173.59244	1.1
177.01854	22.7
178.02469	1.5
179.03445	7.3
195.02919	39.6
195.04712	2.0
196.03172	2.6
213.69818	1.2
222.66255	1.0
289.07166	1.9
327.07150	2.9
328.07986	1.7
349.57361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09061	1.2
59.01251	3.1
62.87535	1.0
66.86646	0.9
71.01253	1.5
72.99170	1.9
75.00767	6.2
87.00751	22.3
93.03381	1.6
99.00772	3.7
101.02327	1.6
105.01817	22.0
109.02877	3.1
113.11660	1.0
123.04467	1.8
128.65083	1.0
129.01842	1.1
133.02818	1.8
135.04413	27.8
137.02383	3.0
140.99394	1.1
147.02873	2.9
147.04417	4.3
149.02327	2.8
149.04442	2.0
161.02415	2.1
165.01779	4.4
165.03973	100.0
165.05431	8.0
165.45345	1.2
166.04385	2.1
173.04547	1.8
176.01041	1.3
177.01874	3.7
179.03427	14.2
201.28934	1.2
301.07022	1.4
327.07358	2.9
328.04889	1.2
328.08365	2.7
328.12054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	2.6
58.32983	1.7
59.01254	100.0
64.72116	1.9
69.03320	2.8
70.27866	1.5
71.01256	41.6
73.02819	43.0
77.20032	1.5
81.03315	2.0
81.29356	1.4
83.01257	12.3
85.02821	7.6
87.00771	3.1
89.02326	8.7
93.03354	7.8
95.01272	1.9
95.04894	2.3
99.00748	3.0
101.02325	40.8
105.03330	2.1
107.04871	3.8
108.01987	2.3
112.01580	2.1
113.02320	12.5
119.03403	3.2
119.04913	7.6
120.20924	1.8
121.02844	5.0
123.04416	75.5
123.29476	1.7
125.02333	2.5
131.03363	2.2
133.02730	2.5
133.51590	1.7
143.03400	3.1
143.04893	2.6
147.04491	10.2
149.04443	3.6
149.05876	3.0
151.03842	1.8
155.03418	1.6
161.04451	7.1
163.03899	2.0
165.05440	3.2
173.06100	2.1
177.05489	4.1
253.29506	1.7
265.08591	3.6
267.08710	32.2
285.09802	40.3
286.09708	1.9
327.08276	7.8
344.56015	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	327.1236
Annotation	2,3,4,6,7-Pentamethoxyphenanthrene
Peak:m/z	Relative Intensity
57.03052	2.3
57.03325	35.0
59.01249	4.4
67.96450	1.1
69.03333	1.8
69.14313	1.3
70.85912	3.2
71.01247	1.4
81.29659	1.1
83.04893	3.3
85.02798	2.0
89.02325	1.4
91.05392	1.4
93.03352	5.7
95.34763	1.1
103.26933	1.1
105.03348	3.5
108.02075	1.2
109.02841	16.4
121.02848	44.7
122.03125	1.3
123.04451	1.4
134.03654	1.2
135.04416	17.9
147.04427	22.6
148.05138	2.8
155.10709	1.3
161.05977	10.2
179.07062	17.9
205.08673	16.0
211.08530	1.1
327.12363	100.0
327.21680	7.5
327.25421	3.2
328.12756	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.52997	0.8
57.03322	0.9
58.00453	2.1
59.01253	4.9
70.85421	1.6
71.01261	1.5
85.02876	0.7
97.06473	2.1
101.02309	1.0
107.04619	0.6
109.06438	0.8
111.07361	1.0
111.08042	6.4
119.04926	1.7
121.02850	1.9
122.03603	1.1
127.07520	1.4
135.04413	4.9
147.04433	2.5
148.05200	2.4
161.05995	5.2
165.05495	0.9
169.12238	5.4
171.10135	0.9
181.12279	1.8
183.13725	0.7
185.11803	3.2
197.11766	41.5
198.12105	2.8
199.13336	7.4
206.09442	0.8
209.11784	2.1
211.13370	6.0
221.11752	2.5
227.12769	0.8
229.14380	0.9
239.12888	1.6
253.82040	0.7
278.46509	0.8
291.14902	0.7
291.19666	3.6
309.20676	2.6
312.13577	0.9
324.20935	0.7
327.16116	18.8
327.21771	100.0
328.12732	0.7
328.16342	1.7
328.22168	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.0
58.00451	1.2
59.01253	10.9
63.64435	0.7
69.03323	1.2
71.01259	1.8
75.00749	1.9
81.09479	0.7
83.01234	0.7
83.04893	1.4
84.66016	0.7
85.02822	1.0
93.03365	0.8
97.06486	2.3
104.24541	0.7
108.02096	0.7
109.02794	1.2
111.08034	10.0
121.02829	1.8
123.04477	1.0
127.07542	0.9
133.67715	0.8
135.04410	1.7
137.09671	1.1
153.12721	1.5
159.04391	0.8
165.03992	1.2
169.12283	5.1
171.10219	3.6
181.12328	2.2
182.54280	0.7
193.12396	0.9
197.11757	47.4
198.12103	2.5
199.13345	7.9
201.11299	1.1
209.11632	0.9
209.15347	0.9
211.13391	6.2
221.91182	0.7
227.12900	1.2
229.14412	1.2
248.73161	0.8
251.16409	1.6
255.11848	3.6
291.19675	3.3
292.00833	0.9
297.07742	1.2
309.20648	5.1
312.84186	0.8
327.01447	1.0
327.08923	4.0
327.12671	3.5
327.21762	100.0
328.22159	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01743	0.6
56.11898	0.5
56.33281	0.5
57.03324	2.7
59.01243	0.7
65.66945	0.5
69.03316	1.4
71.00582	0.9
71.00913	1.2
71.01262	0.8
76.39357	0.5
83.04884	1.2
84.02027	0.8
85.02830	7.8
95.04919	0.6
97.02805	1.2
97.06469	4.5
120.08783	0.5
125.09582	1.3
127.11169	1.7
137.09630	1.7
155.08919	0.5
155.10715	0.8
161.48987	0.6
165.12717	1.0
167.14287	0.9
171.10178	19.9
172.10553	1.0
177.12782	1.8
183.13879	3.2
184.14148	0.7
185.11736	1.5
193.12239	2.1
197.11835	0.6
201.11137	0.7
203.10815	0.6
209.11771	2.0
211.13327	21.0
212.13687	1.3
221.06429	0.5
221.11790	3.1
229.14420	13.2
230.14763	1.1
239.12932	1.4
261.95676	0.6
291.19678	3.3
309.20667	1.0
327.21756	100.0
328.22113	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00465	0.9
59.01242	1.7
59.46650	0.4
71.01247	1.1
81.91723	0.4
85.02837	1.0
89.02316	1.1
97.06471	1.8
98.02332	0.6
98.19845	1.1
101.02324	0.6
115.07529	0.5
121.02790	0.5
125.02350	0.4
127.07522	0.6
127.11214	0.5
135.04401	0.5
145.09726	1.4
150.03116	0.7
153.12767	1.3
155.14305	4.7
156.22644	0.4
163.25987	0.4
167.14326	0.6
171.10245	1.2
183.13853	5.5
193.12300	0.6
197.11659	0.7
199.13353	5.7
211.13321	4.6
215.12733	0.7
222.13623	0.4
227.12813	2.7
229.14404	100.0
230.14754	6.1
291.19672	1.8
309.20712	7.5
310.21146	0.8
327.12479	1.2
327.21744	5.9
327.26419	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	328.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02359	1.3
57.03315	4.4
59.01244	2.1
65.99717	4.3
69.88269	7.9
81.03323	3.3
81.25539	1.3
83.01247	5.7
83.04900	2.5
84.78817	1.4
93.03346	6.8
95.01246	3.3
95.04888	1.4
96.04364	1.3
97.02837	6.1
100.01898	1.3
107.04902	1.9
108.02042	2.1
109.02835	40.8
111.04405	2.9
111.40758	1.4
115.25934	1.3
121.02840	12.2
122.02330	3.2
122.03642	3.7
123.04431	20.0
125.02332	28.7
126.02651	1.7
132.04431	3.6
133.02826	3.7
135.04402	12.4
137.02339	51.6
138.02827	2.0
139.03923	12.7
145.02875	7.2
146.03609	1.6
147.04430	4.3
148.03960	10.8
149.02356	22.8
150.03177	8.9
151.03923	24.3
159.04417	4.0
160.03960	4.4
161.02328	11.4
161.04541	1.9
162.03075	3.4
162.05438	2.0
163.00237	2.0
163.03906	7.7
164.01036	5.4
164.03357	7.2
165.01830	17.1
166.02286	2.0
167.03418	4.9
172.03929	14.1
172.05231	1.6
173.04523	2.9
173.05975	4.7
175.03946	5.1
176.01102	3.5
176.03531	6.5
176.04811	1.6
177.01828	11.1
178.02594	6.4
178.04956	1.4
179.03427	17.8
184.03967	2.6
187.04008	3.0
187.07556	1.8
189.05505	3.2
190.05005	5.0
191.03404	8.2
191.05251	1.2
197.05989	4.8
200.04678	3.0
201.05540	3.0
203.03447	1.4
203.07114	2.4
205.05026	2.5
213.05453	8.9
214.06223	1.6
214.63374	1.6
215.07088	50.3
216.07471	3.3
217.05029	2.2
218.04578	3.3
229.08664	1.7
233.08138	12.4
239.07094	2.4
242.05974	2.0
242.08195	7.0
243.06622	2.4
257.08157	21.3
259.06070	13.2
261.17389	1.3
266.08340	1.5
273.20108	1.4
273.33478	1.4
283.06226	3.3
284.09311	8.8
286.07159	2.4
301.07159	41.0
301.10498	2.9
302.07541	3.7
310.07230	6.7
328.08261	100.0
329.08911	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	328.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.9
71.51920	1.4
74.02339	8.0
79.68244	1.5
82.02827	1.8
84.04419	4.9
100.07576	1.9
102.05485	83.7
112.60805	1.5
128.03426	100.0
129.03784	2.4
146.04471	10.9
193.06877	1.3
198.18562	6.9
199.16965	67.0
199.18820	3.2
200.17300	4.6
207.46576	1.3
238.21764	2.1
240.23260	15.5
241.23682	1.6
266.21347	3.2
284.22305	19.9
310.20273	15.4
328.21317	88.2
328.24741	4.5
329.13242	1.4
329.21426	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	328.249
Annotation	Morusimic acid F
Peak:m/z	Relative Intensity
50.72820	3.4
51.81560	3.9
57.03318	8.6
59.01250	21.3
68.01299	8.9
70.02849	16.4
71.01260	18.8
72.00777	4.3
73.02817	8.8
74.02327	5.0
81.02077	10.7
82.02855	17.2
84.02042	5.5
90.97991	3.1
94.02869	5.7
96.34862	3.6
98.03624	5.1
98.05921	3.2
100.03924	13.9
101.02341	7.8
102.01859	15.9
107.03674	10.4
109.01572	12.9
120.84148	3.2
121.35178	3.6
122.02395	11.3
152.99477	5.1
209.19000	9.9
211.20592	24.7
223.20602	5.3
225.22241	29.9
227.20085	54.0
228.20261	4.9
238.21785	4.6
239.20102	7.8
246.22183	4.2
250.21736	4.7
252.23300	46.1
253.21693	100.0
253.24121	7.1
254.21886	6.5
262.21768	50.6
264.23303	36.1
266.21219	6.0
271.02463	5.1
280.22824	98.9
281.23352	4.1
292.22855	43.4
293.23245	5.5
298.23953	7.4
310.23895	17.7
328.24908	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.4
68.01296	0.7
69.18773	3.0
69.19200	3.7
71.01253	8.8
72.00780	1.3
73.02801	0.7
84.00787	2.0
84.67783	0.7
85.01579	1.2
86.02351	100.0
87.02666	1.2
98.19827	1.1
117.18208	0.7
190.26559	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	328.2494
Annotation	4,8 dimethylnonanoyl carnitine
Peak:m/z	Relative Intensity
59.01244	2.9
61.84733	0.4
68.31272	0.3
71.01253	0.8
72.00781	0.4
74.02344	100.0
75.02682	0.9
75.21664	0.4
80.65376	0.3
81.02069	1.3
84.02016	0.6
98.20548	1.3
152.64609	0.3
157.03261	0.3
159.29768	0.3
225.22223	0.7
242.89589	0.3
248.23790	15.0
249.24081	1.0
253.21709	3.2
254.05347	0.4
264.23361	2.3
266.25015	0.3
268.22803	0.8
271.02698	0.4
328.24911	54.2
329.13580	0.5
329.17575	0.4
329.25290	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	328.2857
Annotation	N-Acylsphinganine
Peak:m/z	Relative Intensity
54.96790	0.6
59.01247	3.0
61.91343	0.6
69.28406	0.6
70.02853	100.0
71.01263	0.7
71.03183	1.2
71.23891	1.2
72.00779	1.9
79.54737	0.6
85.41875	0.6
86.02358	6.4
143.19243	0.5
149.82896	0.7
228.71339	0.6
237.22176	1.5
239.23781	29.6
240.24055	3.0
253.25378	1.6
266.24866	7.6
267.88947	0.7
280.26462	25.6
281.26797	2.0
282.28070	1.2
296.25974	7.4
300.29092	13.4
301.29501	0.8
310.27570	1.3
324.25534	0.7
326.27200	0.9
328.18576	1.7
328.28564	80.4
329.28867	8.9
344.27985	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
59.23970	0.2
63.02291	0.3
64.84406	0.2
65.00194	1.3
83.01277	0.6
89.00210	0.3
107.01282	2.2
108.02094	0.3
111.00821	0.2
133.02869	0.9
134.66878	0.2
135.00795	0.4
137.02325	0.2
143.04897	0.4
147.00766	0.3
148.01584	1.2
149.02257	0.2
151.00276	8.9
152.00618	0.6
153.46568	0.2
155.04935	0.7
155.10686	0.4
157.02870	0.8
163.00351	0.4
164.01134	0.3
165.93356	0.2
167.03383	0.3
171.04414	1.7
173.02460	0.2
175.03922	0.8
177.01764	0.3
178.99771	2.4
183.04492	1.1
185.02406	0.5
187.03938	1.0
197.02431	0.3
198.03166	0.3
199.03937	8.0
200.04297	0.5
201.01884	1.8
202.02408	0.2
203.03532	1.1
213.01826	0.2
214.02652	0.4
215.03432	3.2
225.01961	0.6
226.02663	0.7
227.03470	5.6
227.05736	0.3
229.01300	1.2
229.04912	0.3
230.01945	0.3
233.28308	0.2
241.01405	0.3
242.02177	3.7
243.02951	10.9
244.03253	1.0
253.01372	0.3
254.02100	0.6
255.03001	1.4
257.04578	4.9
258.01947	0.3
258.04910	0.6
268.03766	0.5
269.04532	0.9
270.01749	1.7
271.02469	100.0
272.02811	7.2
285.04028	5.8
286.01328	0.3
286.04733	5.3
287.05103	0.4
299.01965	6.1
300.02206	0.3
313.03574	0.3
314.04306	44.6
315.01285	0.4
315.04654	3.9
329.03275	1.2
329.06638	25.6
330.07108	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0666
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.58041	1.1
59.01250	9.1
63.23286	1.0
69.23452	2.0
69.23853	8.7
71.01250	1.2
107.01285	1.6
123.06224	1.0
131.12421	0.9
137.02455	0.9
151.00291	2.7
158.89778	1.1
162.70374	1.1
163.03897	1.3
167.19516	1.0
171.04402	2.7
173.02402	1.0
187.03844	1.9
199.03903	7.2
201.01796	3.1
203.03438	1.1
215.03479	6.2
226.02589	1.1
227.03441	7.9
228.03760	1.0
228.75862	1.1
229.01497	2.0
239.00594	1.2
242.02197	9.1
243.02951	42.4
244.03271	2.8
255.03075	1.9
257.04608	7.7
270.01746	10.5
271.02478	81.0
272.02887	5.4
285.04007	20.7
285.18604	1.4
286.04874	4.9
298.98358	1.2
299.01968	83.4
300.02319	7.2
314.04324	68.0
315.04562	6.4
329.06659	100.0
329.23206	3.3
330.07071	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.42744	1.3
58.00456	4.0
59.01251	82.6
67.01752	1.9
67.96571	1.7
69.55693	1.4
71.01253	52.6
71.46732	1.9
71.47068	1.7
72.75257	1.6
72.99182	4.3
79.68566	1.5
82.29278	1.4
83.01263	1.8
85.02827	10.5
89.02319	38.8
91.01745	2.3
95.01245	3.7
101.02325	25.1
108.02075	7.5
109.02823	3.0
111.00763	1.7
113.02333	12.9
119.03365	12.7
123.00723	4.1
123.04414	13.6
125.02321	3.1
140.28810	1.5
150.03165	2.7
151.00290	5.9
152.01068	12.1
160.27745	1.6
166.02591	6.9
167.03410	82.3
168.03812	2.4
181.04955	14.5
194.02144	4.0
209.04517	53.5
239.05598	5.1
269.06677	10.6
295.39923	1.5
296.84152	1.4
314.06396	1.5
316.53384	1.3
329.08795	100.0
330.09103	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	329.088
Annotation	32142-31-7
Peak:m/z	Relative Intensity
57.03315	0.9
59.01252	24.7
62.89088	0.3
63.64953	0.3
65.00193	0.6
66.65083	0.3
68.99691	0.3
69.36020	0.3
70.39682	0.9
71.01260	1.6
73.02821	0.4
81.02879	0.6
81.03329	5.3
83.01255	3.1
85.02819	1.0
85.77177	0.3
86.99912	0.3
89.02341	0.4
93.03352	0.8
94.24601	0.3
95.04906	1.0
97.02802	0.7
99.04438	0.4
101.02325	1.3
107.01280	0.3
107.04898	0.3
109.02841	0.8
121.02859	0.9
123.04408	38.8
124.04743	1.0
125.02335	5.1
131.01256	0.5
135.04388	2.0
137.02336	1.2
139.03885	1.3
147.04433	0.3
149.02335	1.5
149.04391	0.7
151.00269	1.5
151.03877	1.6
161.04504	0.9
163.03929	1.3
164.03412	1.0
166.02673	0.6
167.03412	100.0
168.03757	4.3
175.00243	0.9
179.03448	1.2
180.04205	0.6
181.04973	3.1
191.03429	24.8
192.03802	1.5
192.05321	0.3
209.04500	9.8
210.04849	0.5
221.04454	2.6
269.06540	0.5
269.10266	0.8
305.43900	0.3
329.08652	3.9
329.11899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55142	0.7
52.19487	0.8
59.01251	100.0
60.01576	1.2
65.99962	0.7
69.46465	2.0
69.46870	5.0
71.01251	3.6
72.99179	1.5
81.03322	1.2
83.01235	1.1
85.02834	1.9
89.02311	1.2
89.91702	0.9
101.02315	1.7
109.02879	0.7
113.02280	1.9
123.00722	1.6
123.04401	4.9
124.01563	0.8
125.02332	7.2
125.04855	0.9
135.04411	2.8
139.84146	0.9
141.63237	0.8
149.04448	1.6
161.04436	2.9
167.03412	7.6
168.03813	0.9
195.03044	1.0
197.04506	1.8
269.10410	3.1
329.38550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53614	0.3
56.58993	0.3
57.03344	0.5
58.49019	0.3
59.01251	51.0
60.01582	0.5
60.43335	0.3
65.00191	0.4
71.01257	2.6
71.04992	0.3
71.22626	0.5
71.22950	0.4
73.02820	0.7
81.03339	4.6
83.01257	2.8
85.02830	1.2
93.03345	0.5
94.20854	0.3
95.04908	1.2
97.02810	0.7
101.02322	1.7
107.01261	0.5
109.02833	0.5
111.04388	0.4
113.02314	0.9
115.64904	0.4
121.02916	0.4
123.04408	36.9
124.04762	1.4
125.02341	4.4
131.01334	0.5
135.04419	0.6
137.02359	0.9
139.03911	0.7
149.02342	1.0
151.00252	1.2
151.03920	1.5
155.10617	0.5
161.04419	2.0
163.03905	1.0
166.02654	0.5
167.03412	100.0
168.03780	4.2
175.00319	0.9
179.03419	1.5
180.04230	0.6
181.04990	3.2
191.03426	21.4
192.03770	1.4
209.04515	9.1
209.06374	0.7
221.04507	2.7
233.04399	0.4
239.05795	0.3
269.06732	0.5
269.10306	2.3
329.08691	3.8
330.09222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1757
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.36554	1.1
59.01252	12.7
69.26037	2.5
69.26457	6.8
71.01259	1.5
79.72737	1.1
87.94187	1.0
93.03340	0.9
94.19749	1.0
98.20553	2.5
108.02036	2.8
109.02853	2.7
119.04926	6.8
121.02837	10.1
122.03645	7.6
124.01521	1.9
135.04419	53.1
136.04747	2.2
137.02353	1.6
146.44966	0.9
154.02618	2.7
165.05537	1.9
193.08633	2.7
207.10208	1.3
271.02536	3.4
299.01953	1.5
314.04468	2.0
314.15103	3.2
329.06689	2.3
329.14148	5.2
329.17551	100.0
329.23172	6.3
329.26947	7.4
330.14194	1.6
330.17871	10.1
335.34232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.84085	0.6
56.91127	0.7
57.03322	1.4
59.01250	10.6
60.16708	0.6
61.98705	1.8
62.02413	0.7
63.24869	0.6
68.46520	0.7
71.52660	0.9
71.53017	0.7
72.52500	0.7
83.04910	0.9
85.02814	1.1
93.03333	1.0
96.43151	0.6
97.06426	0.7
99.08032	6.1
101.02313	0.9
121.02847	1.6
125.09610	1.5
127.11192	5.1
135.04449	0.7
139.11180	8.3
155.08910	2.2
155.10800	0.7
157.12346	1.0
161.04691	0.7
165.12764	0.8
167.14326	1.3
171.10176	20.8
176.13449	0.8
183.13855	4.6
193.12230	1.4
199.07916	2.3
209.11748	1.5
211.13336	24.1
212.13670	1.2
229.14395	14.4
231.88004	0.7
241.08582	1.7
242.09381	1.6
257.11853	5.2
271.02484	2.2
285.11438	3.0
299.01907	0.9
311.22217	1.2
314.04263	1.9
329.06729	1.8
329.17297	2.8
329.23322	100.0
330.23709	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	330.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10062	1.4
57.03321	19.7
59.01254	4.9
61.33403	1.3
61.98711	1.8
66.03361	6.1
69.03323	2.4
70.02848	19.8
71.01258	20.8
71.04887	1.4
73.02814	21.5
73.66354	1.2
80.04931	28.7
82.02872	5.2
84.04427	16.7
85.02826	23.4
94.02853	5.7
96.04417	14.4
97.01567	2.1
98.02361	64.8
98.05996	3.9
98.19770	3.8
100.03924	43.9
100.04555	2.9
105.05736	3.3
108.04454	2.0
110.06027	1.7
112.03926	21.6
114.05511	5.1
115.10586	1.5
128.03395	1.8
128.07095	2.0
130.05028	3.3
144.02956	1.7
144.06592	2.1
146.08185	1.7
153.01997	1.8
165.45358	1.5
169.16000	1.5
183.17482	5.1
190.02611	1.6
193.54330	1.5
197.19060	50.7
197.20876	2.5
198.19431	4.1
209.19162	1.8
211.20642	3.6
223.20651	3.6
225.22198	12.0
229.66260	1.9
241.18011	1.8
246.22260	25.6
250.21861	3.0
252.23311	5.6
258.22382	5.8
262.21777	32.8
263.22266	1.9
264.23297	15.8
276.23349	6.6
278.21329	3.1
280.22794	13.4
282.24408	23.9
283.24875	2.5
292.22812	2.4
294.20844	6.6
294.24301	3.6
298.23883	32.4
299.24323	2.5
312.25345	15.5
316.02582	2.0
328.25049	1.9
330.26517	100.0
331.19275	2.4
331.26855	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	331.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53278	3.6
59.01258	8.6
60.69265	3.4
63.02264	15.4
65.00199	31.3
67.01759	6.9
69.35633	14.2
69.36059	15.3
75.13288	4.1
83.01277	17.0
93.03366	3.6
95.01257	23.4
98.19825	6.4
99.00755	4.8
107.01293	32.4
109.02837	9.8
109.99974	15.0
111.00763	28.3
119.01286	3.7
121.02841	4.9
123.00773	37.2
125.02352	10.1
125.99516	3.4
131.04895	3.4
133.02861	3.5
135.00783	5.6
136.98689	13.5
137.02286	4.8
137.99501	8.7
139.00269	57.7
143.04987	3.8
145.02895	5.0
149.99487	5.6
151.00275	100.0
152.00858	5.0
153.01785	6.0
155.10703	30.8
156.29662	3.7
157.02837	4.8
159.04422	8.9
161.02354	11.0
163.00294	17.1
163.03917	7.6
164.00978	4.4
164.98180	14.9
165.01833	10.8
165.98979	25.5
166.99770	47.5
169.01303	9.6
171.04323	7.4
175.03938	7.2
176.00987	4.1
177.01917	5.5
178.99803	81.0
179.03255	4.1
185.02386	8.5
187.03914	11.9
189.01842	14.2
190.99799	32.3
193.01343	5.9
193.98474	19.7
194.99268	26.1
199.09706	14.8
201.01877	7.2
203.03386	10.7
206.99297	29.7
213.01794	9.6
215.03410	10.1
219.02925	5.4
229.01300	6.6
231.02881	10.1
237.21835	3.3
241.01314	5.4
243.02922	13.5
245.00859	6.4
247.02203	3.8
257.00861	8.1
259.02454	18.5
271.02448	33.8
271.15314	3.6
272.03143	5.8
275.01971	6.6
285.00351	13.1
287.01944	12.9
289.16446	9.2
299.02036	20.3
300.02844	30.2
301.03641	7.0
303.01431	14.6
312.99915	8.2
313.21048	4.1
331.01077	34.4
331.04666	10.1
332.01630	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	331.0459
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
50.86648	0.2
58.07499	0.2
58.23944	0.2
59.01241	0.3
61.61369	0.2
65.00199	0.4
67.48407	0.2
71.01233	0.4
71.53683	0.3
83.01263	0.4
95.01267	0.2
107.01268	0.7
108.02079	0.2
109.02808	0.2
123.00739	0.2
124.01559	4.2
135.00787	0.5
136.01572	0.6
139.00369	0.2
143.04895	0.3
148.01556	1.2
151.00285	1.8
152.01056	1.4
155.10696	0.9
159.04401	0.4
161.02370	0.3
163.00299	1.2
164.01076	3.4
165.01753	0.3
169.01353	0.3
171.04495	0.2
175.03835	0.3
178.99780	2.0
185.02429	0.3
187.03905	0.4
188.04674	0.3
189.58842	0.2
190.02533	0.2
192.00543	0.5
198.03134	0.3
199.03934	0.5
199.09711	0.5
203.03522	1.2
204.04118	0.7
208.21237	0.2
213.01846	0.5
214.02643	7.2
214.04706	0.4
215.03348	1.6
216.04160	0.3
217.01411	0.2
227.03493	1.0
229.01369	0.3
231.02895	0.6
232.03668	0.6
241.01263	0.4
242.02164	6.8
243.02925	4.7
244.03596	0.5
246.01393	0.3
259.02448	8.5
260.02875	0.8
270.01688	8.2
271.02466	44.8
272.02808	3.7
284.03387	0.3
287.01974	26.7
288.02466	3.8
315.01593	0.7
316.02225	100.0
316.99408	0.1
317.02551	7.9
331.04572	56.5
331.21378	0.5
332.04926	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
66.67403	0.7
69.03322	3.2
71.06866	1.2
71.07191	0.7
77.27903	0.7
81.03344	0.7
83.01289	1.5
84.48191	0.7
94.74769	0.6
95.01257	0.9
97.02825	2.8
104.58251	0.7
107.01282	1.3
109.03980	0.7
116.61885	0.7
123.00768	4.9
124.01563	17.1
125.02340	58.0
126.02657	1.1
133.15181	0.7
149.99490	31.9
151.00201	2.5
168.00551	46.1
169.01256	4.9
228.55901	0.7
313.05630	5.1
331.06693	100.0
332.07001	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.00188	1.1
69.03300	1.5
70.79724	2.3
73.54332	1.1
76.08901	1.1
81.03336	2.3
83.01268	4.7
88.78264	1.1
93.67056	1.1
97.02822	2.7
100.52826	1.1
107.01269	3.4
123.00782	1.1
124.01557	9.8
125.02338	46.4
125.03255	2.3
126.02698	1.7
149.99500	15.0
151.00285	11.5
155.32465	1.1
163.16687	1.2
168.00562	33.5
169.01338	13.0
193.01297	1.2
211.02415	1.2
278.22495	1.2
294.16159	1.1
313.05716	5.1
331.06696	100.0
332.07047	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	331.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93272	0.4
57.03322	0.5
57.09669	0.4
59.01247	2.1
63.02263	0.4
65.00205	1.0
71.01241	1.9
72.99181	0.7
73.02819	3.3
80.75034	0.4
83.01267	0.6
85.02842	0.6
89.02312	0.6
91.82513	0.3
95.01274	0.7
97.02850	0.4
98.20505	0.9
101.02354	0.8
107.01307	1.1
109.02898	0.5
111.00726	0.5
113.02312	0.7
119.03394	0.5
123.00799	0.4
123.04496	0.4
124.01527	0.7
125.02328	0.8
135.08052	1.7
137.09622	7.1
139.00208	0.6
149.99458	0.6
150.03142	2.7
151.00262	2.7
152.01012	0.7
153.01857	0.6
155.10684	100.0
156.11006	4.9
163.00282	0.5
165.01860	1.5
165.05450	1.4
174.03195	0.6
178.99782	1.3
181.08566	0.4
196.82632	0.4
199.09691	54.5
200.10057	3.3
206.99174	0.4
207.08035	0.9
214.02637	0.4
225.09181	1.2
243.02992	0.6
259.02490	0.8
269.08142	0.7
270.01666	0.7
271.02429	1.2
275.05627	1.3
285.03967	0.6
287.09299	1.6
299.02008	0.9
303.05106	2.3
304.69595	0.4
313.03568	0.9
314.04205	0.6
316.02310	1.0
331.04520	4.9
331.08209	1.3
331.13937	5.2
332.04819	0.5
332.14206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15646	0.6
52.67561	0.6
69.47182	1.3
69.47589	3.6
71.01260	1.3
73.02813	2.1
83.01313	0.6
85.67320	0.5
101.02327	1.4
113.98040	0.7
131.03406	0.9
135.08096	0.8
137.09627	8.5
155.10681	100.0
156.11040	5.0
178.99734	0.7
199.09692	55.1
200.10048	2.6
273.03125	0.9
275.75897	0.6
331.13937	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
59.01249	0.7
71.01257	2.1
71.02399	1.1
73.02816	3.1
85.02842	1.0
96.84787	0.6
101.02335	1.2
113.02329	0.8
117.99352	0.5
135.08051	1.0
137.09621	6.6
155.10683	100.0
156.11053	4.9
161.04572	1.1
199.09689	74.3
200.10014	3.8
248.56902	0.5
318.25494	0.5
331.13995	6.4
331.17560	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	PGB3
Peak:m/z	Relative Intensity
54.20767	0.3
59.01242	0.5
69.03320	1.2
70.03941	1.7
71.04900	0.4
83.68918	0.3
109.06495	0.5
116.49621	0.4
137.09563	0.3
175.11127	0.5
177.12724	0.4
210.25578	0.3
213.12804	0.4
241.21654	0.5
269.19156	1.6
271.17010	1.6
285.18628	0.8
287.20160	4.6
288.20627	0.6
331.19131	100.0
332.19470	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	332.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30691	0.6
57.03323	0.6
58.00264	0.5
58.00471	5.9
58.01672	0.6
59.01252	21.4
63.93674	0.6
66.95189	0.7
69.62098	2.5
69.62508	1.3
70.02847	19.6
71.01255	19.1
72.00777	7.3
72.99181	7.6
73.02822	3.9
74.02361	3.3
84.02105	0.7
85.01575	2.7
86.02350	41.1
87.00755	0.6
88.03915	45.1
89.04266	0.9
91.19012	0.6
100.03906	1.7
101.23852	0.6
118.04984	5.6
163.00337	0.9
165.01912	0.7
211.20618	16.5
212.20938	0.9
223.20645	1.8
225.22197	8.5
226.22586	0.9
227.20015	1.2
237.22169	1.4
239.20166	8.6
240.20433	0.8
241.21696	100.0
242.22063	6.9
243.46268	0.7
253.21690	6.7
255.23286	0.9
264.23282	2.7
266.24918	0.7
278.24899	1.2
282.24365	1.7
285.20709	6.2
301.03549	1.2
312.25290	1.2
314.26926	7.9
315.20773	0.7
315.27505	0.8
332.28055	43.8
333.20746	0.8
333.28519	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	333.0249
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
57.03333	5.5
59.01238	3.9
59.48392	3.0
63.02254	7.6
65.00202	19.5
67.14719	3.3
70.05590	3.5
71.53365	5.6
81.03342	6.7
83.01270	19.9
93.03333	5.4
95.01238	12.9
99.00752	6.6
107.01289	29.8
109.02823	33.2
111.00759	8.9
117.03281	4.3
120.21984	3.6
123.00745	17.7
124.01569	5.7
125.02338	41.6
133.02867	17.7
135.00766	9.5
135.04407	6.2
136.98691	3.8
137.02327	7.8
139.00279	16.6
140.69917	4.0
141.01839	29.5
145.02975	3.8
149.02426	5.2
151.00279	100.0
152.01122	16.3
153.01846	25.9
159.04358	5.2
161.02324	7.1
163.00237	16.9
164.01047	4.1
165.01830	3.7
166.99754	12.2
168.00543	7.7
169.01366	19.4
169.02611	4.1
171.04332	6.9
173.02390	3.6
173.04387	5.9
175.03934	9.0
177.01834	3.7
178.99789	72.1
180.00162	8.3
181.01302	6.8
187.03809	6.0
189.01884	8.1
189.05469	4.8
190.99767	8.1
193.01309	9.4
194.99237	11.0
197.00870	6.5
199.03876	9.6
201.01869	4.0
203.03488	11.0
204.97760	3.6
205.01344	7.4
205.04997	6.5
206.99301	25.0
208.00014	8.2
209.00854	7.9
209.36562	3.5
215.03394	8.8
217.05006	7.1
219.02818	7.4
222.98790	16.9
227.03543	3.3
229.01393	5.0
231.02988	4.6
233.00780	4.1
233.04373	17.8
243.02866	12.7
259.02472	9.0
261.03830	5.5
271.02527	28.8
287.02017	24.3
288.02179	4.0
289.03586	4.2
305.02917	5.4
315.01468	27.2
316.01529	5.2
332.98880	5.6
333.02448	52.4
333.20880	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	333.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01479	4.0
58.39521	4.0
59.01248	13.2
63.02256	12.3
65.00185	21.0
68.99724	4.6
69.03314	6.8
69.74820	8.6
69.75239	20.8
71.01254	7.0
74.47595	4.1
77.39718	4.4
81.03339	7.4
83.01251	20.5
91.01725	5.1
93.03366	4.3
95.01263	15.0
97.02835	5.1
98.19685	4.7
99.00751	27.1
107.01273	36.0
109.02840	91.2
109.99955	5.8
111.00784	29.4
113.02336	5.8
121.02813	7.1
123.00759	36.6
124.01595	8.6
125.02337	59.0
133.02858	51.4
135.00748	16.9
136.98683	13.1
137.02333	17.9
139.00273	67.0
141.01842	71.9
143.04898	6.3
147.04468	7.1
149.02328	13.3
151.00272	95.5
152.00995	15.5
153.01828	56.6
155.10715	17.6
159.04367	6.3
161.02345	9.6
163.00275	46.1
164.01028	6.9
164.98251	10.1
165.01834	15.5
165.98988	8.0
166.99782	51.7
168.00526	31.8
169.01347	47.7
171.04491	8.3
171.10199	6.2
173.02151	5.1
174.03035	5.2
175.00252	7.4
175.03931	13.3
176.98141	4.9
177.01842	15.3
178.99797	100.0
179.03200	4.6
180.00172	5.7
181.01439	5.3
187.03864	8.7
189.01877	13.2
190.99783	28.4
191.03391	5.9
193.01402	10.2
194.99281	39.9
197.00899	19.0
199.03889	14.0
199.09708	6.5
201.01874	6.0
203.03525	7.2
204.97649	13.5
205.01349	15.9
205.98520	6.8
206.99286	55.3
207.99936	15.8
209.00815	28.8
210.58627	4.6
215.03465	14.7
217.05020	12.9
219.02838	6.6
222.98752	54.2
223.99548	20.3
224.65485	4.5
227.03473	11.2
231.02873	6.5
233.04597	22.0
243.02956	15.9
245.04521	9.8
247.02441	10.9
254.64328	4.6
259.02475	13.3
261.03995	18.7
271.02490	34.9
287.01938	38.6
289.03394	13.3
289.11789	4.8
291.14417	6.0
291.17957	5.0
305.02850	9.4
315.01477	65.5
316.02042	4.9
327.05344	4.6
333.02490	75.7
334.03174	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	333.0252
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
57.03334	5.2
59.01244	11.3
63.02264	14.9
65.00201	23.8
67.01767	7.4
68.72108	2.8
68.99673	5.7
69.03323	5.8
71.01256	5.9
71.52205	5.4
72.99187	3.3
80.96457	3.1
81.03342	7.7
82.83836	3.4
83.01256	18.4
91.01762	3.2
93.03350	3.1
95.01266	20.4
97.02821	7.2
99.00753	28.1
107.01279	34.4
109.02145	6.1
109.02843	100.0
109.99984	5.9
110.03187	5.2
111.00777	47.4
119.04890	3.9
121.02872	5.5
123.00755	38.8
124.01560	8.2
125.02343	55.5
133.02855	49.6
135.00769	17.4
136.98695	14.4
137.02367	18.4
137.34894	3.4
139.00259	53.7
140.00987	5.4
141.01830	59.8
143.04968	4.8
147.00806	7.4
147.04420	7.7
149.02327	11.4
149.99463	4.8
150.02704	3.8
151.00275	96.6
151.03886	3.3
152.00960	15.1
153.01846	56.4
154.99753	5.7
155.10666	35.6
159.04456	5.1
161.02321	11.5
161.05956	5.0
163.00281	39.8
163.03903	3.4
164.01012	5.6
165.01834	10.4
165.98973	7.4
166.99796	44.6
168.00534	33.4
169.01350	48.9
171.04411	7.5
171.10266	8.5
174.03128	3.9
175.00279	6.6
175.03935	12.7
176.98198	3.9
177.01849	17.6
178.99776	95.3
180.00197	6.7
181.01378	3.9
187.03961	10.4
189.01826	10.5
189.05501	3.8
190.99831	28.1
191.03386	5.4
192.00520	4.7
193.01305	12.1
194.99278	36.9
197.00766	15.6
199.03987	8.5
199.09720	8.3
201.01765	6.4
203.03371	12.8
204.97778	16.9
205.01363	11.9
205.98503	10.7
206.99303	48.3
207.99971	15.0
209.00935	23.9
213.01964	4.3
215.03442	12.2
217.05112	7.7
217.10757	6.9
219.02901	8.0
222.98799	74.5
223.99544	23.4
227.03426	9.0
229.01384	6.6
231.03009	7.4
233.00951	7.4
233.04579	16.7
238.00972	3.2
243.02979	23.7
245.04633	5.9
247.02493	9.0
259.02478	12.4
261.03952	12.7
271.02429	23.0
273.13367	4.8
287.01956	33.7
288.02267	6.7
289.03586	12.4
291.14554	20.2
305.02991	13.6
315.01465	57.8
316.01843	6.5
333.02460	73.4
333.15308	4.3
334.02896	6.2
339.13394	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81467	0.8
57.03323	7.7
57.64383	0.9
59.01251	1.7
63.02282	4.8
65.00198	6.9
67.01770	2.3
69.35210	7.6
73.02791	0.9
78.26249	0.9
81.03308	2.3
83.01249	8.1
91.01788	1.2
93.03354	6.1
95.01250	2.3
95.04858	1.2
97.02859	0.9
98.19852	1.8
101.05953	1.0
107.01278	6.8
107.04918	2.0
109.02852	7.9
111.00746	1.1
115.05392	1.4
117.03349	2.1
119.04938	1.1
125.02336	23.0
127.05324	1.1
131.04901	3.7
133.02850	4.2
135.04430	10.5
137.02324	9.3
139.03970	1.1
143.04898	1.9
145.06506	1.3
147.04390	1.5
149.02307	1.5
151.00270	12.6
151.03833	1.0
155.04889	1.5
157.02922	0.9
159.04466	5.9
161.02338	1.8
163.00247	2.7
165.01840	3.3
169.01350	1.3
171.04425	3.3
173.02359	1.0
173.05959	1.7
175.03923	7.3
177.01871	3.8
177.05486	4.5
178.99797	2.0
179.03465	2.3
183.04424	4.9
185.02379	1.1
187.03963	1.6
189.05487	2.1
191.03377	1.6
191.05469	1.1
193.01337	1.2
199.03906	3.9
201.01872	1.8
201.05550	1.1
203.03357	5.6
215.03404	6.2
215.09114	1.6
217.04994	5.3
227.03386	6.4
229.01312	1.6
230.02084	1.5
233.04501	1.3
243.02985	4.5
245.04599	3.5
261.03952	1.2
271.02536	4.5
271.10754	2.0
289.03549	100.0
290.00912	1.6
290.03754	7.5
333.02441	6.0
333.05798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03070	0.3
67.25318	0.4
69.25765	3.5
74.40026	0.4
78.03340	1.1
80.04929	0.9
83.43487	0.3
92.04921	2.4
93.05303	0.4
94.02843	0.6
94.06495	4.9
94.32134	0.3
97.77431	0.3
104.04937	3.0
105.03352	2.9
106.06505	14.8
106.89870	0.4
107.03656	0.8
107.06828	0.5
108.04463	2.2
120.04440	7.1
121.05211	1.6
122.02383	0.6
122.06002	18.2
123.03145	2.5
123.06345	0.9
124.07576	1.1
125.02328	0.4
131.03654	1.1
132.03453	0.7
132.04442	8.8
132.67677	0.4
135.03177	0.7
136.03880	0.8
138.05505	25.8
139.05826	0.8
140.07045	0.6
148.03931	0.9
150.05522	3.8
152.07022	0.4
166.05013	0.7
173.08394	0.4
174.12828	0.9
184.11185	0.8
186.09251	0.4
188.07182	0.5
189.07849	1.4
197.07115	0.5
200.05771	0.7
202.12219	0.4
203.09352	0.7
212.09537	0.5
213.06615	0.8
215.11821	1.8
217.07306	2.1
226.07230	0.4
227.11917	0.5
228.08864	0.8
229.09796	1.0
231.09032	0.9
231.11382	1.4
241.09825	3.0
242.10291	0.7
243.11339	2.1
253.09734	0.4
259.10831	0.8
271.10846	1.0
282.01254	0.4
289.11938	100.0
290.12280	9.6
325.59418	0.4
333.06351	0.9
333.10867	8.2
334.11090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99475	13.4
59.01251	3.4
70.29875	0.6
71.01244	0.5
71.04878	0.4
74.98959	1.5
80.91550	0.3
93.03332	0.6
101.02335	0.4
102.98475	100.0
103.98851	1.7
113.09553	0.4
116.78116	0.3
120.99542	8.0
131.30064	0.3
135.04460	0.4
137.02390	0.4
139.11180	3.1
155.10675	0.5
161.02333	0.6
163.00609	4.5
179.03471	0.4
190.34077	0.3
203.11064	0.5
267.08923	0.5
333.13873	0.3
333.20844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.2
59.01251	44.5
60.01598	0.6
61.46312	0.6
71.01246	1.2
71.33105	1.2
83.04879	1.1
89.02328	0.8
91.03910	1.3
107.01241	0.7
111.08027	1.0
125.02345	1.1
125.09598	0.7
127.11187	1.3
137.09616	11.4
151.00275	1.4
153.09132	1.0
155.10684	100.0
156.11011	6.1
168.00580	0.7
171.10179	30.7
172.10551	2.1
178.99811	1.7
181.08647	4.2
199.09694	21.4
200.10065	1.2
217.10760	39.5
218.11034	2.1
241.10841	0.8
273.13443	19.5
274.13843	1.4
291.14499	79.1
292.14835	5.4
315.01425	1.3
333.15564	25.0
334.15955	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
57.03334	0.4
59.01243	0.9
69.68588	1.4
69.69001	1.2
71.01257	0.7
73.02825	1.9
74.79466	0.4
81.03319	0.7
83.01257	0.6
83.04897	1.6
85.02819	0.9
85.44051	0.4
89.03860	0.6
93.03336	12.4
95.01244	0.6
97.02787	0.4
98.19874	0.7
98.22726	0.4
99.00752	2.3
99.04388	0.9
107.01231	0.4
107.04923	1.5
109.02827	2.4
111.00804	0.5
111.04407	4.6
117.03327	0.6
118.33815	0.4
123.00761	0.8
123.04411	0.6
125.02318	2.6
132.02139	0.5
133.02855	6.3
134.03656	4.3
135.04410	100.0
136.04762	4.9
136.40599	0.4
137.02345	6.5
138.02788	0.5
139.00261	1.2
141.01840	1.4
151.00249	1.0
153.01811	2.1
155.03452	2.2
161.02345	25.4
162.02715	1.4
163.00296	0.8
165.01833	1.4
166.99692	0.8
167.03413	1.2
173.04474	2.0
177.01906	0.8
179.03413	95.6
180.03770	5.1
181.01360	1.1
189.01883	0.6
191.03311	0.6
193.01328	2.9
194.99146	0.9
195.25929	0.5
203.03406	0.7
209.00774	0.7
217.01393	0.6
221.01634	0.4
235.02394	0.5
243.11246	0.6
273.04022	0.6
273.12524	0.6
283.98590	0.4
285.34177	0.5
291.08621	0.6
317.03107	1.6
335.04385	1.1
335.07709	27.5
336.07977	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
59.01243	0.9
69.68588	1.4
69.69001	1.2
71.01257	0.7
73.02825	1.9
74.79466	0.4
81.03319	0.7
83.01257	0.6
83.04897	1.6
85.02819	0.9
85.44051	0.4
89.03860	0.6
93.03336	12.4
95.01244	0.6
97.02787	0.4
98.19874	0.7
98.22726	0.4
99.00752	2.3
99.04388	0.9
107.01231	0.4
107.04923	1.5
109.02827	2.4
111.00804	0.5
111.04407	4.6
117.03327	0.6
118.33815	0.4
123.00761	0.8
123.04411	0.6
125.02318	2.6
132.02139	0.5
133.02855	6.3
134.03656	4.3
135.04410	100.0
136.04762	4.9
136.40599	0.4
137.02345	6.5
138.02788	0.5
139.00261	1.2
141.01840	1.4
151.00249	1.0
153.01811	2.1
155.03452	2.2
161.02345	25.4
162.02715	1.4
163.00296	0.8
165.01833	1.4
166.99692	0.8
167.03413	1.2
173.04474	2.0
177.01906	0.8
179.03413	95.6
180.03770	5.1
181.01360	1.1
189.01883	0.6
191.03311	0.6
193.01328	2.9
194.99146	0.9
195.25929	0.5
203.03406	0.7
209.00774	0.7
217.01393	0.6
221.01634	0.4
235.02394	0.5
243.11246	0.6
273.04022	0.6
273.12524	0.6
283.98590	0.4
285.34177	0.5
291.08621	0.6
317.03107	1.6
335.04385	1.1
335.07709	27.5
336.07977	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23386	0.9
61.35078	0.9
69.63517	2.5
69.63927	3.2
80.04943	5.0
83.17941	0.9
92.04948	1.9
93.03336	1.4
94.06512	13.7
103.30016	0.9
107.03632	1.3
108.04439	15.7
110.06001	3.3
118.78671	0.8
120.04454	7.5
122.02374	7.2
122.06019	4.2
124.07589	3.9
127.76589	0.9
133.02861	3.1
135.04398	2.1
136.03957	2.7
138.05515	7.7
148.03949	4.9
150.05539	6.5
154.05006	1.4
161.02368	11.7
166.05017	95.4
167.05359	3.0
179.03439	1.2
180.02898	0.9
182.04495	2.7
194.04503	4.5
210.04030	100.0
211.04337	4.7
215.11841	2.0
229.13513	1.0
244.20325	1.0
273.12521	1.4
291.23862	0.8
317.11478	3.1
335.07898	3.6
335.12457	19.4
336.12738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	PGB1
Peak:m/z	Relative Intensity
52.71115	0.3
53.13963	0.4
53.49442	0.3
53.52983	0.3
57.03323	6.9
59.98394	0.3
67.88876	0.3
69.03321	6.7
69.22345	3.3
71.04890	2.3
73.02812	1.7
79.05412	0.4
79.95790	0.3
83.04893	3.6
85.02836	0.7
85.06457	0.8
95.04930	0.9
97.02822	0.3
97.06468	10.5
97.07099	0.5
98.06848	0.4
99.04395	22.2
100.04717	0.5
107.04890	1.4
108.78371	0.4
111.08084	0.4
119.07754	0.7
119.08550	7.3
121.06483	0.4
125.09607	2.3
137.08559	0.8
137.09619	14.6
138.09944	0.7
153.09129	1.9
153.12753	0.7
163.07550	1.0
167.10666	10.3
168.10922	0.6
181.08617	4.8
181.12299	0.6
203.18155	0.4
247.17018	0.9
265.18048	0.7
317.21112	1.9
335.22263	100.0
336.22601	12.1
351.20364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	Cervicol
Peak:m/z	Relative Intensity
57.03326	9.8
59.01240	3.1
59.98388	1.2
69.03319	8.8
69.26600	5.6
69.27017	2.5
71.04889	2.7
73.02811	2.2
81.06958	3.0
83.04910	5.6
89.59222	0.8
97.06417	0.9
99.04398	28.5
111.04388	1.1
111.08036	3.8
119.63494	0.9
123.08025	1.5
135.08058	1.0
137.09616	1.1
161.02313	1.4
167.10603	1.3
190.46223	0.8
191.14371	2.0
193.12305	1.0
219.51823	0.9
223.13342	7.3
224.13701	1.2
247.16988	33.5
248.17247	2.0
265.18106	15.5
266.18335	1.2
273.22141	1.1
297.95728	1.0
317.21326	1.6
323.03415	0.9
335.22263	100.0
336.22592	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	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23598	1.8
57.03309	2.7
59.01254	17.0
60.82354	1.9
67.01766	4.8
68.99679	2.0
69.03333	2.6
69.74158	9.7
71.01251	6.8
72.99187	8.3
81.03340	3.8
83.01274	3.4
83.04899	2.8
85.02820	11.6
87.00747	3.4
91.31394	2.0
93.03334	24.0
95.01294	2.8
97.02812	5.9
99.00764	23.8
109.02834	11.6
111.00780	9.7
111.04404	13.2
113.02316	3.1
117.01828	8.2
119.04927	22.7
121.02794	2.5
123.00787	5.7
123.04412	2.5
124.01528	2.8
125.02335	21.0
127.00268	5.6
133.02943	2.9
135.04411	5.4
137.02365	16.4
139.00282	13.1
139.03867	2.5
141.01842	9.0
149.02249	2.6
149.05966	5.3
153.01843	19.9
154.99768	7.7
155.03413	6.4
161.02371	8.2
161.06021	2.4
163.03935	32.3
165.01805	5.1
167.03404	4.1
169.01392	9.9
173.04472	100.0
174.04846	4.0
175.02463	2.7
175.03873	3.0
177.01845	8.3
179.03426	4.1
181.01340	4.8
183.02907	6.1
187.03865	2.9
189.05548	3.8
191.03555	3.8
191.05518	23.7
193.01329	5.8
203.07112	2.4
205.04973	2.4
219.06467	2.5
227.07140	2.2
229.05032	3.8
231.06557	2.3
233.04546	7.0
249.07768	2.6
257.04532	3.2
275.05579	5.7
301.03519	2.8
319.04538	8.8
337.05582	12.8
337.09213	4.8
338.06363	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77028	3.0
59.01242	9.8
62.84468	3.2
66.92418	3.0
67.01778	5.9
69.03316	4.0
69.79057	18.2
71.01247	12.5
71.28126	3.4
72.99178	5.8
79.01759	4.1
81.03344	6.2
83.01261	7.1
85.02819	10.4
93.03338	34.8
95.01255	7.6
97.02815	8.8
98.20473	3.6
99.00744	5.3
101.02346	3.7
109.02824	18.5
111.00771	19.3
111.04412	6.8
113.02333	4.5
119.04919	25.1
119.19618	3.4
121.02870	5.5
123.00771	8.8
123.04385	6.2
124.01577	5.6
125.02330	49.9
127.00279	15.2
133.02882	5.1
135.04404	15.1
137.02332	24.8
139.00266	24.6
139.03932	7.6
140.01071	5.0
141.01831	21.0
143.31082	2.9
145.02953	3.3
149.02328	10.2
149.05975	15.4
151.00272	6.2
151.03880	8.6
153.01828	46.9
154.99767	19.0
155.03349	6.1
157.01376	3.2
157.02713	2.8
161.02361	7.8
161.05952	5.6
163.03883	27.5
165.01830	14.4
167.03375	9.5
169.01335	11.7
173.04472	100.0
173.06003	4.8
174.04796	3.6
175.03886	10.0
177.01773	15.2
177.05505	4.4
179.03404	10.2
181.01366	6.4
183.02882	8.5
187.03894	6.4
189.05476	3.7
191.03593	5.7
191.05516	16.1
193.01364	4.9
219.02957	6.6
229.04913	7.5
231.03050	6.1
233.04488	11.2
237.04073	5.8
257.04456	7.3
273.03864	3.3
275.05536	8.1
301.03558	7.1
319.04535	16.9
337.05725	23.6
337.09451	5.9
338.05841	3.5
338.13577	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	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.18274	1.0
58.62014	1.1
59.01254	8.4
63.46273	1.2
68.99675	3.5
70.83006	3.1
71.01255	12.7
72.99190	2.3
73.02777	1.7
75.00732	5.7
75.30055	1.1
83.01258	3.8
85.02823	6.1
87.00743	8.6
89.02311	5.7
92.33958	1.0
95.01251	1.5
97.02814	1.3
99.00736	5.4
101.02327	2.9
105.19672	1.1
111.00754	3.8
113.02326	4.7
113.99467	9.8
115.00261	6.6
125.02368	1.1
127.00256	4.5
129.01779	2.6
135.02882	1.3
139.00276	1.9
139.03902	1.3
141.01811	2.7
148.45271	1.0
149.04436	3.1
157.01321	10.3
157.02917	1.6
174.01610	25.1
175.02356	5.0
179.05586	1.7
277.05649	8.3
282.92157	1.1
337.07715	100.0
338.08032	7.2
356.74274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03326	0.7
59.01245	2.5
59.69656	0.5
61.50499	0.6
62.36692	0.5
67.01767	3.2
69.03295	0.6
71.01243	3.0
71.29047	0.9
73.02794	0.4
78.47122	0.6
78.88165	0.5
81.03339	0.7
83.04900	1.1
85.02824	2.5
87.00732	0.7
93.03339	21.1
94.03662	1.1
99.04414	0.6
109.02808	0.7
111.00775	1.0
111.04404	3.5
111.40807	0.5
119.04921	16.4
120.05343	0.5
127.03913	0.6
137.02327	4.0
155.03426	4.7
163.03923	16.1
164.04337	0.7
173.04475	100.0
174.04811	4.3
191.05553	20.1
192.05904	0.8
233.07330	0.4
324.66611	0.4
337.09351	3.2
343.36554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.01244	2.3
60.99153	0.7
67.01767	7.3
69.03320	2.1
70.64198	1.5
71.01254	4.8
81.03333	1.5
83.04896	1.9
85.02811	0.9
87.00753	0.6
93.03335	48.9
94.03697	1.7
109.02850	2.0
111.00754	1.6
111.04404	6.5
119.04917	22.3
120.05254	1.4
127.03932	1.2
137.02335	5.9
155.03383	4.3
163.03918	20.2
173.04466	100.0
174.04810	3.9
191.05513	1.5
220.83298	0.6
337.09277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
54.21022	0.2
57.03321	0.4
59.01251	1.7
60.99153	0.3
67.01752	1.0
69.03326	0.4
69.46736	2.0
71.01251	1.2
72.99189	0.3
73.02831	0.4
73.23376	0.2
81.03336	0.5
83.04912	0.7
85.02827	9.7
87.00745	2.9
93.03338	8.9
93.03929	0.5
95.01270	0.3
99.00745	0.8
99.04398	0.7
99.36955	0.3
109.02829	0.9
111.04395	2.2
117.03378	0.3
119.04900	2.7
127.03890	2.3
129.01752	0.4
135.04434	0.8
145.02882	1.1
155.03491	0.3
163.03928	2.5
171.02928	0.8
173.04483	3.1
178.46767	0.2
179.03365	0.7
191.05545	100.0
192.05898	3.4
337.09256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.40109	0.4
57.03323	0.5
59.01242	1.7
60.32999	0.5
67.01756	0.8
69.20740	3.9
71.01239	0.6
78.16759	0.5
83.04892	0.5
85.02814	5.0
87.00748	1.0
93.03333	8.4
109.02835	1.4
111.00805	0.7
111.04408	3.6
117.03326	0.6
119.04915	64.9
120.05251	2.3
125.02330	1.5
127.03933	1.3
130.53673	0.4
131.13293	0.5
136.07553	0.7
137.02342	1.8
139.00357	0.6
153.01823	1.6
154.99734	0.6
155.03410	2.5
163.03917	100.0
164.04269	3.1
171.02925	0.5
173.04477	12.5
191.05540	40.6
192.05846	1.3
319.13000	0.5
337.09259	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83295	0.6
58.32508	0.7
59.01251	100.0
60.01587	1.1
61.08924	0.6
67.01762	0.6
67.76528	0.6
71.01270	1.6
71.31925	0.8
71.32254	0.8
72.99195	2.9
73.91245	0.6
85.02812	3.7
93.03341	6.5
94.03643	0.7
99.00752	7.0
104.56811	0.6
111.00788	1.9
111.04416	3.4
113.02339	0.8
117.01836	2.3
119.04916	6.1
124.00937	0.7
135.04445	2.5
137.02357	0.8
145.02829	0.8
151.64937	0.6
155.03412	1.7
161.02417	1.1
163.03928	11.3
163.05197	0.9
173.04469	25.2
179.03435	1.4
179.33211	0.7
180.03773	1.0
181.03908	1.6
191.05545	8.8
191.07115	0.8
192.05939	0.8
227.07095	1.4
337.08731	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
56.30101	0.2
59.01242	1.3
71.09721	0.6
72.92935	0.2
81.03317	0.6
89.03841	1.9
93.03348	0.3
104.02570	0.9
105.03342	3.9
119.04937	0.4
132.70305	0.2
133.02856	10.7
134.03180	0.3
142.57091	0.3
148.01604	0.4
149.02368	1.4
176.01106	1.6
177.01862	100.0
178.02202	4.9
194.97240	0.3
218.21754	0.2
307.93649	0.3
339.07172	10.1
340.07547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44124	0.9
59.01251	10.5
60.40773	1.0
67.01755	1.1
68.73035	1.0
69.03329	82.5
70.03655	2.9
71.01253	2.4
77.31898	0.9
77.34849	1.1
79.01770	10.7
81.03327	3.6
84.80083	1.0
85.02832	6.3
93.03332	1.3
95.01269	9.9
97.02830	49.5
98.03191	1.2
107.01275	22.2
107.04931	1.5
108.02052	18.3
109.02842	32.4
113.02335	2.4
113.69595	1.0
116.69834	1.0
119.04880	1.3
121.02840	7.5
123.00771	15.0
123.04475	1.5
124.92445	1.4
125.02338	50.4
126.02666	2.2
133.02847	3.9
134.03638	1.6
135.00757	3.1
135.04425	4.8
136.01552	2.8
137.02322	7.3
147.04410	1.4
149.02324	13.7
151.00264	14.0
151.03856	1.6
153.01845	100.0
154.02168	3.9
163.03935	4.4
167.03430	2.6
177.01816	7.6
195.02936	1.6
219.03006	1.4
225.08803	1.1
279.05106	18.1
280.05154	1.2
297.06174	34.0
298.06360	2.4
301.13501	1.1
318.68442	1.3
339.07184	22.6
340.07483	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	339.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.9
62.54530	0.3
65.22564	0.2
67.61053	0.2
68.15611	0.2
69.79486	1.1
69.79897	0.6
71.04569	0.3
72.76038	0.2
107.04899	0.5
124.81414	0.2
134.03653	2.4
134.05984	0.5
135.04414	100.0
136.04745	3.9
161.02333	0.3
164.04668	0.3
198.55861	0.2
223.06129	0.6
281.08072	0.4
293.08368	0.2
309.07678	1.5
323.97900	0.2
324.09924	1.3
325.02716	0.3
339.11942	1.0
340.04913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02783	0.1
59.01247	0.9
69.17849	1.4
71.01257	0.3
98.20601	0.4
102.66870	0.1
107.04905	0.5
117.03350	0.3
122.12524	0.1
126.81763	0.1
134.03629	1.9
134.05975	0.4
135.04411	100.0
136.04744	3.5
149.02376	0.2
154.86978	0.1
164.04654	0.2
219.26080	0.1
223.06056	0.4
263.07178	0.3
281.08307	0.3
293.08258	0.2
308.10553	0.2
309.07767	1.3
323.09100	0.3
324.10025	0.8
339.12189	0.9
340.04758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
58.18910	0.3
59.10549	0.3
63.54048	0.3
71.17139	0.3
80.31634	0.3
90.04705	0.3
98.20677	0.6
111.39252	0.4
163.11197	100.0
164.11536	4.6
229.23941	0.5
287.52466	0.4
339.23270	25.8
340.23590	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	340.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01249	5.1
63.02277	4.3
65.00193	6.8
67.15103	0.8
71.01249	3.2
83.01265	4.9
87.10867	0.9
89.02316	2.7
101.02329	1.4
107.01272	10.7
108.02072	1.2
109.02882	1.2
113.02272	1.3
119.03350	1.5
125.02347	4.6
128.99713	0.9
130.02835	1.0
133.02855	3.2
145.37625	1.0
147.04387	1.7
148.01526	4.5
149.99452	1.1
151.00272	19.5
152.00587	1.0
158.02408	2.1
160.03903	3.2
161.02393	7.3
163.00266	3.4
164.01028	3.0
169.01360	1.4
174.10860	0.9
174.36086	0.9
177.01871	2.3
178.99756	7.5
183.04488	1.1
185.02522	0.9
186.01878	5.7
187.00217	1.1
188.03455	1.5
195.04555	1.3
199.02380	1.1
199.04004	2.0
203.03526	1.0
211.04131	1.3
212.03387	7.2
214.01404	42.6
215.01653	2.4
215.03497	2.0
216.04306	1.0
217.04971	1.0
226.02722	1.9
227.03471	3.4
228.04161	0.9
231.01706	1.2
236.03528	2.5
238.01434	1.5
239.03470	1.1
241.04951	1.3
243.02878	4.6
254.02095	1.3
254.04565	3.6
255.02968	6.8
256.03589	2.2
262.88669	1.0
267.02975	3.1
268.03030	0.9
269.04462	2.7
271.02463	15.0
272.03021	2.7
278.04541	1.7
283.02539	2.0
285.04050	13.5
286.04352	2.1
294.03973	2.4
295.02399	2.7
296.05725	1.9
299.01810	1.9
300.02734	100.0
301.03012	8.3
313.03510	9.9
322.03513	20.8
323.03915	2.0
340.01364	1.2
340.04556	31.6
341.05029	2.9
341.10669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.3
57.03319	3.7
58.00448	4.2
59.01252	62.6
66.53381	1.6
67.06143	2.1
69.03326	2.2
71.01254	49.5
71.04904	8.2
71.38474	1.7
72.99160	2.6
73.02816	3.8
81.03327	13.9
83.04897	75.7
83.29275	1.6
85.02820	7.9
87.00716	3.9
89.02322	59.7
94.03715	1.6
95.01288	2.7
101.02328	29.7
107.72897	2.3
113.02316	19.1
113.09612	10.7
114.09098	4.0
115.07531	28.1
117.60342	2.2
119.03387	20.6
127.03886	9.4
128.10747	3.0
131.03429	2.6
135.04462	5.1
135.08101	2.6
137.09599	3.9
138.09113	2.6
139.07559	67.5
139.11163	2.5
143.03392	5.5
156.10220	34.4
157.08607	100.0
158.08923	3.6
158.11784	29.7
161.04462	7.6
169.08737	2.3
179.03481	2.3
179.03970	2.5
179.05542	21.5
180.13951	2.2
181.12271	13.6
199.09692	76.7
199.13428	2.9
200.10126	3.0
206.11964	2.2
224.12846	11.2
242.13994	10.7
297.24310	9.2
326.07632	2.3
340.21274	58.1
341.10745	28.6
341.14340	2.8
341.23483	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	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01252	4.8
70.05270	0.8
70.05682	0.5
71.01250	3.4
71.01614	0.3
73.02841	0.7
83.01274	0.3
85.02834	0.7
89.02325	3.3
91.05421	0.3
93.03355	0.4
95.01289	0.3
101.02312	1.6
103.03936	0.2
107.04912	0.9
109.02856	0.9
113.02341	1.5
117.03374	0.3
119.03401	0.9
119.04927	1.1
121.02805	0.5
126.42140	0.3
131.03395	0.5
133.02881	0.3
134.03644	3.9
135.04414	98.8
136.04739	3.8
137.02332	2.0
138.05501	0.4
149.04448	1.1
151.00278	0.3
164.04753	0.4
165.01866	0.5
178.02634	0.6
179.03419	100.0
180.03751	4.4
192.00551	0.4
193.04974	0.5
242.83582	0.2
259.27963	0.2
259.77124	0.3
286.51639	0.2
287.43320	0.2
341.08643	11.3
342.08911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86583	0.7
51.83028	0.7
57.03317	1.1
59.01249	12.8
69.03328	1.4
70.90667	2.1
71.01252	10.4
73.02827	1.1
75.00742	1.3
78.76374	0.7
83.01247	1.3
85.02834	1.7
87.00753	2.2
89.02327	11.8
89.03819	1.9
99.00765	3.1
99.69640	0.7
101.02312	5.6
113.02340	4.0
117.03352	8.7
119.03406	4.2
123.00751	0.9
123.04400	1.1
125.02333	2.2
131.03351	1.0
134.03639	88.6
135.04364	5.8
137.02356	3.8
143.03459	0.9
147.02896	7.0
149.02361	1.6
149.04466	1.7
149.05992	10.2
151.00259	2.6
151.03888	1.0
153.01894	1.3
161.02304	1.1
161.04483	1.1
164.03448	0.9
165.01814	1.8
165.04024	2.9
173.04550	1.0
177.01772	1.3
178.02641	6.8
179.03371	2.0
179.05492	4.5
179.07094	2.5
193.05005	100.0
194.05261	5.6
341.04895	1.1
341.11420	4.4
342.06036	1.6
342.10428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1025
Annotation	UWM6
Peak:m/z	Relative Intensity
59.01250	39.5
64.40760	1.5
71.01258	27.0
72.99168	2.0
76.69235	1.6
81.02115	1.6
85.02821	3.3
89.02312	34.6
93.03328	17.7
96.99206	11.1
101.02320	14.0
106.24747	1.7
108.02053	2.2
109.02806	6.0
113.02356	10.9
117.03339	6.1
119.03448	9.6
119.04915	46.5
120.05241	2.0
123.04401	10.6
130.04135	11.5
131.04866	5.7
132.02016	2.0
133.02892	10.8
134.03456	1.9
143.04930	54.4
144.05223	3.3
145.02829	4.0
145.06488	3.5
151.03929	3.7
156.53807	1.7
160.97919	1.7
161.04471	3.5
163.03915	20.8
167.81813	1.6
171.04396	7.8
177.01863	8.0
177.05533	7.7
179.05559	11.2
179.10672	2.6
189.01883	20.9
190.02516	5.7
191.03468	4.1
203.03465	2.0
210.06755	4.9
216.00606	1.8
217.01305	5.6
219.02856	2.5
222.06720	2.0
223.10028	1.7
225.09106	3.0
235.07617	28.4
236.08348	8.6
237.09108	13.0
238.09619	1.9
249.09154	2.0
251.10716	6.9
263.07141	16.8
264.07880	56.3
265.08365	7.6
279.07224	3.4
279.10275	52.1
280.10526	7.1
295.09552	3.0
308.06900	10.0
323.05786	3.0
323.09247	30.9
324.09604	3.1
341.06516	19.1
341.10287	100.0
342.10458	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	341.1025
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
57.01080	0.3
57.03323	0.4
58.62876	0.3
59.01250	5.9
60.10730	0.3
70.91299	0.8
70.91647	0.4
71.01257	5.1
72.99191	0.3
74.93524	0.3
82.25800	0.3
85.02810	0.7
89.02324	4.5
93.03338	20.0
94.03658	0.8
96.99194	9.2
101.02334	1.5
106.04092	0.4
107.39646	0.4
108.02036	0.6
112.24075	0.4
113.02324	2.0
117.03352	2.3
119.03410	1.6
119.04917	19.8
120.05291	0.6
121.02847	1.3
123.04395	1.0
130.04144	5.5
131.04945	2.9
132.02103	0.5
133.02872	3.2
133.06491	0.4
134.03612	1.0
137.02269	0.4
138.85716	0.3
143.04921	13.1
144.05251	0.6
145.02875	2.5
145.06483	2.5
158.03578	0.5
161.04427	0.7
163.03923	10.3
171.04433	2.1
177.05510	4.2
179.05472	1.6
210.06828	3.6
222.06726	0.6
225.09148	2.4
234.06827	1.0
235.07611	8.1
236.08377	2.3
237.09171	7.5
238.09779	1.2
249.09132	1.4
251.10681	1.7
260.15631	0.4
263.07141	5.8
264.07892	22.8
265.08252	1.8
279.10254	13.0
280.10641	1.0
295.09430	0.4
297.11337	0.8
308.07004	3.5
309.07257	0.4
323.09241	5.5
324.09555	0.7
341.10294	100.0
342.10608	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.69575	0.3
55.01754	1.2
57.03323	1.5
58.00470	4.3
59.01252	100.0
60.01593	1.3
65.41293	0.3
67.01755	0.3
69.03317	0.4
69.83607	1.6
71.01254	68.6
72.01594	1.2
72.99184	3.3
73.02819	2.3
81.23061	0.3
83.01276	2.6
85.02823	10.5
87.00755	3.7
89.02317	71.0
90.02657	1.1
93.03331	0.6
95.01265	4.6
97.02806	0.3
99.00749	0.8
101.02323	29.2
102.02660	0.6
107.03366	0.3
107.04874	0.5
113.02333	23.1
114.02698	0.7
119.03389	23.9
120.03739	0.4
123.04411	0.5
125.02312	0.6
128.76158	0.3
131.03401	3.3
135.04420	0.3
143.03401	5.8
149.04489	3.7
161.04457	6.2
173.04512	0.5
179.05531	20.3
180.05887	0.7
191.00081	0.6
204.01511	0.3
232.17471	0.3
341.10895	23.8
342.11325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35575	0.5
52.05361	0.6
52.88519	0.7
55.01743	0.6
57.03326	1.2
58.00464	2.0
59.01250	65.0
63.46146	0.6
69.03342	0.7
71.01253	39.2
71.51611	1.0
72.01591	0.6
72.99182	2.1
73.02821	19.6
74.13279	0.5
75.00742	0.9
80.37636	0.5
81.03322	0.8
83.01266	6.2
85.02820	9.6
87.00745	1.6
89.02321	19.9
90.49726	0.6
93.31316	0.6
94.29617	0.7
95.01260	2.2
97.02856	0.7
99.00782	1.3
101.02322	19.7
107.04900	1.2
109.02857	1.4
111.00763	0.7
113.02328	17.0
119.03468	6.6
119.04920	25.9
120.05298	1.1
123.03162	0.6
123.04402	1.1
125.02336	1.0
131.03392	1.4
134.03653	3.2
135.04424	100.0
135.89107	0.6
136.04745	5.9
137.02354	10.8
137.05977	2.3
138.05511	7.5
143.03410	1.8
149.04475	1.6
161.04417	3.3
163.03876	0.6
165.01854	1.3
165.27472	0.6
176.05283	0.6
179.03430	89.0
180.03720	4.4
195.05060	1.8
281.10245	6.1
282.10840	1.4
284.44479	0.6
299.11429	1.8
304.94702	0.6
323.19543	0.6
336.68399	0.7
341.08475	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
57.11633	0.5
59.00995	0.6
59.01255	6.4
68.05774	0.6
69.03317	2.3
70.63861	1.2
71.01247	3.7
81.03326	0.7
83.04877	1.3
84.02039	6.7
85.02824	0.8
89.02317	3.9
95.04906	0.7
97.02843	2.3
97.06470	10.8
98.19859	0.6
99.04394	1.9
101.02312	1.8
113.02329	1.1
119.03368	1.0
119.08559	1.2
121.10138	0.9
125.09610	2.2
135.08025	0.7
137.09608	1.7
148.86375	0.5
149.13327	0.9
165.12816	0.8
171.10181	18.5
172.10492	1.0
175.11217	1.0
177.12875	0.7
179.05554	1.2
183.13850	1.4
185.11739	1.1
188.54922	0.5
189.75897	0.6
193.10503	0.9
193.12274	16.3
194.12640	0.9
197.15402	0.7
197.20171	0.6
204.54355	0.6
209.11703	0.7
211.13356	3.0
221.11824	1.2
225.14911	20.1
226.15224	2.2
238.12151	0.5
243.15990	9.3
253.14357	1.0
291.19693	1.4
305.21207	0.7
323.22281	0.6
341.23318	100.0
342.23633	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	342.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	0.6
50.25093	0.1
51.06308	0.2
59.01252	13.5
60.01579	0.3
62.47577	0.2
64.00327	0.2
68.01284	2.8
69.03339	0.2
70.79202	0.2
70.79536	0.5
71.01261	1.1
73.02818	0.8
74.03211	0.2
76.13412	0.2
83.01275	0.4
87.00690	0.2
89.02320	0.3
95.04932	0.2
96.04441	0.4
101.02340	0.3
108.04533	0.2
109.01543	0.4
110.06013	0.3
113.02326	0.4
119.04902	0.3
122.02387	0.9
122.06020	0.3
123.03159	7.7
124.07568	0.5
136.07602	0.6
137.04739	0.6
138.05508	100.0
139.05862	3.4
140.07062	0.2
149.02374	0.3
149.04459	0.3
152.03447	0.3
152.07088	1.0
167.05801	0.8
168.06638	0.3
180.06596	5.0
181.06920	0.3
192.06641	0.4
222.07707	0.3
282.09848	0.7
300.10910	2.2
342.11914	6.6
343.12222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.5
73.01044	0.8
74.00555	1.1
107.82993	0.4
111.02628	0.6
115.43750	0.4
116.01647	3.4
122.03623	1.9
125.04182	0.5
126.04993	1.5
138.01355	2.1
142.00850	5.2
152.02916	4.1
162.02182	0.8
164.63899	0.4
169.10484	43.5
170.10863	2.4
170.83453	0.4
179.10698	14.5
180.11006	0.7
192.49390	0.4
195.08427	39.3
196.08755	2.2
213.09500	100.0
214.09830	7.7
342.13956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76081	1.7
57.10301	1.9
58.46341	1.7
59.01252	54.5
71.51207	2.9
104.76606	1.9
115.31169	2.2
121.02789	2.1
142.47388	2.2
157.03487	3.5
159.01390	2.5
200.58495	2.0
201.02489	100.0
202.02663	11.2
240.15169	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
50.54198	0.4
53.90951	0.4
59.01245	14.2
70.84129	1.0
73.46293	0.5
93.03324	0.7
95.04887	1.1
107.04927	0.8
109.02843	6.7
109.06485	5.0
117.13362	0.4
119.04897	4.3
121.02840	7.5
122.03636	1.7
123.04417	0.5
125.02352	0.7
135.04402	6.1
137.02344	0.7
137.05980	37.5
138.06342	1.2
139.03882	0.7
149.02344	0.7
149.04465	0.6
177.01877	0.7
181.04982	100.0
182.05354	5.0
182.13596	0.5
183.31787	0.5
196.44589	0.5
294.26691	0.5
343.10257	7.9
344.11078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1186
Annotation	Deoxyelephantopin
Peak:m/z	Relative Intensity
54.65618	0.5
57.03385	1.3
58.00529	0.6
59.01340	4.1
69.20361	3.4
69.20785	2.4
71.01353	3.7
71.64798	0.6
72.99252	0.9
73.02924	4.1
75.00816	1.2
83.04971	1.1
85.02924	1.1
87.00273	1.9
87.00862	20.7
87.04494	0.9
89.02443	1.8
89.73515	0.5
93.03455	2.2
97.02926	0.9
97.06541	0.7
98.19827	1.0
99.00809	0.8
99.04475	1.1
101.02429	0.7
103.02859	0.6
106.06599	0.7
107.04914	5.2
109.02959	1.8
109.06644	0.7
111.04633	0.5
113.02441	1.5
119.05051	0.8
120.05804	1.4
121.02835	7.8
121.06624	2.3
122.03315	1.9
123.04462	0.6
123.08144	0.5
125.02437	1.0
131.03511	1.8
131.04982	0.6
133.06606	1.5
135.04555	1.8
137.02458	1.9
137.09743	1.4
141.12878	0.6
151.04007	1.2
153.09196	0.7
155.10698	2.6
156.11137	1.2
159.08211	2.0
160.04015	1.1
161.09633	12.2
163.07663	2.5
164.04692	11.3
173.04619	0.6
197.15428	0.6
199.09738	0.9
204.86823	0.7
205.08658	7.8
211.11426	1.1
213.14908	1.3
215.16591	1.9
227.14423	1.2
227.16516	1.0
243.13904	1.4
246.08421	0.7
255.10289	2.3
269.11462	0.7
271.10834	0.8
271.13266	3.1
276.09302	0.9
276.59406	3.5
277.09528	1.0
281.11948	0.8
283.10770	0.7
289.11819	0.7
293.09500	0.8
297.11411	0.6
297.24335	1.2
299.12885	100.0
299.25970	1.6
300.13275	7.8
343.11792	29.5
343.15961	1.4
343.21085	4.5
343.24841	8.0
344.12070	3.0
344.15988	1.7
344.25266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97902	2.8
58.99479	7.6
59.01250	4.9
69.03336	2.0
70.86344	2.7
71.01259	1.5
72.41850	1.0
74.98972	2.5
78.95817	1.0
89.00523	3.4
98.20518	1.3
100.96890	1.4
102.98476	33.1
116.23109	1.0
117.00014	2.0
117.09071	1.1
118.59435	1.0
121.02785	2.2
122.03635	2.2
123.62883	1.0
135.04459	1.7
138.01347	2.7
142.00839	5.3
152.02887	4.3
169.10481	45.6
170.10794	2.1
179.10716	16.5
180.11049	1.7
181.12285	2.8
185.00945	1.9
195.08440	42.7
196.08754	3.2
196.70564	1.3
213.09496	100.0
214.09828	7.0
224.08574	1.3
256.86874	1.3
283.10019	1.7
301.11188	1.3
343.15289	3.3
343.21262	1.4
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
52.79460	0.6
56.51286	0.6
59.01245	3.1
59.29192	1.0
63.34315	0.8
71.01241	0.7
71.43080	1.1
82.41174	0.8
89.02316	1.4
106.07089	0.7
106.91065	0.7
109.61801	0.8
121.02826	1.2
121.10119	6.4
125.09526	0.9
127.11165	2.4
137.09621	2.1
139.11198	19.1
140.11508	0.8
142.69969	0.7
171.10182	65.7
172.10512	2.6
211.13405	1.2
293.21140	0.9
343.24878	100.0
344.15533	0.8
344.25079	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03312	0.8
57.07589	0.5
59.01262	2.9
60.51785	0.5
63.27912	0.5
63.63867	0.5
69.03320	1.0
71.01262	1.1
71.52347	0.5
71.52848	0.5
83.04889	0.9
88.88856	0.5
89.02324	1.2
97.06458	0.6
98.73317	0.5
99.08037	6.2
106.39725	0.6
121.02850	0.8
121.10144	4.3
125.09614	1.6
127.11190	1.3
135.04411	2.2
136.01570	0.6
137.09608	1.7
139.11147	0.7
149.13275	0.5
161.05972	1.4
161.40208	0.6
165.09103	0.6
165.12778	0.5
171.10179	31.0
172.10503	1.8
193.12302	10.7
211.13333	3.3
225.14917	15.1
226.15186	1.0
243.16002	5.7
244.16312	0.6
266.40265	0.6
293.21277	2.4
311.22354	0.7
313.03268	0.5
343.15939	8.0
343.24896	100.0
344.15640	1.1
344.25192	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	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01248	2.9
63.08943	0.5
69.03323	1.4
71.01258	1.6
71.52852	0.7
83.04883	1.3
89.02312	1.0
92.19820	0.5
97.06478	1.2
99.08033	6.4
101.02251	0.6
113.09579	0.5
121.02832	1.4
121.10139	4.5
125.09608	2.1
127.11203	1.2
137.09631	1.3
138.83524	0.5
139.11150	0.7
165.09140	0.7
171.10191	27.1
172.10562	1.5
175.11189	0.7
185.46075	0.5
193.10530	0.6
193.12283	11.1
194.12558	1.0
195.13750	0.6
211.13368	2.3
225.14934	17.5
225.17169	1.0
226.15236	1.1
226.93820	0.5
243.15991	5.8
289.18039	2.0
293.21237	2.6
329.66943	0.5
343.24893	100.0
344.25220	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	344.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36406	2.3
57.03313	8.7
59.01263	2.9
62.42151	2.5
65.99712	7.9
69.03308	3.9
70.87815	4.3
70.88130	4.5
71.01268	5.7
77.30930	2.4
81.03318	5.0
82.56075	2.8
83.01259	7.5
85.02831	3.2
89.02355	2.5
93.03329	10.6
95.01256	7.2
95.04894	4.1
97.02835	7.4
99.00766	8.3
105.03352	4.0
107.04866	3.6
109.02844	38.2
111.00764	21.7
121.02847	15.5
121.16587	2.7
123.00780	12.9
123.04393	17.6
124.01527	4.4
125.02350	51.8
133.02858	6.8
135.04449	11.4
136.03978	2.7
137.02350	76.1
138.03050	8.6
139.00282	21.7
139.03918	15.1
139.85405	2.8
140.07091	5.8
141.01793	13.6
147.04353	4.5
148.03954	15.6
149.02351	25.7
150.01872	4.7
150.03046	4.7
151.00255	8.3
151.03926	25.6
152.03383	3.0
153.01865	20.8
159.04420	5.3
160.03928	7.2
161.02348	24.9
161.05922	3.8
162.01880	7.7
162.05495	6.1
163.03899	7.8
164.01036	11.4
164.03401	20.8
165.01828	13.8
166.02586	6.2
167.03432	19.2
167.51010	3.0
172.03928	11.8
173.02301	5.1
173.04521	3.6
174.03152	4.4
175.03856	9.9
176.01073	3.5
176.03413	21.3
177.01878	17.0
177.04141	4.8
177.05537	3.0
178.01384	8.6
178.04988	6.0
178.21414	2.6
179.03476	18.8
181.01396	5.7
181.04851	5.6
182.04539	3.5
187.03978	5.3
187.07512	3.1
188.03403	15.2
189.05547	6.7
190.05058	7.5
191.03392	8.6
195.02908	8.7
200.03458	11.2
203.03535	5.0
204.02896	8.0
205.05009	3.2
206.04469	11.4
213.05518	4.5
217.05046	8.2
218.04506	8.3
229.04994	4.5
231.06616	10.3
236.28488	3.2
255.06520	4.8
257.04510	2.8
258.07742	7.1
273.07724	6.4
282.07974	6.1
284.05801	2.9
299.05475	8.0
300.08801	5.9
304.05887	7.0
308.05807	4.6
309.14752	3.3
316.08377	3.2
317.06668	9.8
326.06729	22.2
344.07709	100.0
345.08035	14.2
361.75000	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	344.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	29.5
65.99717	8.5
69.03326	4.9
71.01254	6.6
71.51405	7.9
71.51773	6.0
83.01251	12.1
85.02779	6.0
93.03341	11.4
95.01231	9.0
95.04919	6.7
97.02856	11.4
99.00750	14.5
109.02827	48.0
109.06458	8.6
111.00748	16.9
111.04386	5.3
119.04923	11.9
120.05219	8.3
121.02837	23.5
123.00764	14.3
123.04407	26.1
125.02352	59.1
135.04424	26.0
137.02336	66.3
137.05952	31.1
138.06346	32.4
139.00272	30.6
139.03877	15.2
141.01842	9.9
145.02789	5.5
148.03912	11.6
149.02333	30.5
150.01976	5.7
151.00278	11.0
151.03917	21.7
153.01880	30.8
155.03395	8.4
161.02396	33.3
162.01865	6.9
163.03862	16.4
164.01100	9.8
164.03412	19.2
165.01799	14.8
167.03389	11.6
172.03877	14.1
173.04488	11.9
175.03912	15.0
176.03415	20.7
177.01852	12.6
178.01367	11.2
179.03415	15.9
181.04974	96.3
182.05351	100.0
188.03482	10.6
189.05534	13.0
190.05078	6.4
191.03479	9.9
191.05548	9.7
195.02925	8.5
206.04526	9.4
213.05531	6.5
231.06642	14.6
273.07507	9.0
299.05508	9.9
304.05789	7.9
317.06729	7.1
318.37897	5.6
326.06689	12.4
344.07507	88.5
350.16983	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	13.7
59.01255	18.4
60.05167	1.1
66.03355	3.7
68.01281	2.1
68.99710	1.2
69.03333	3.2
70.02851	20.7
71.01257	14.3
72.00782	1.4
74.02356	1.7
81.02084	2.1
82.02861	9.3
84.00819	1.1
84.04423	14.2
85.02822	26.9
86.02353	2.1
94.02863	100.0
95.03184	2.2
96.04430	19.4
97.01575	3.7
97.02824	4.2
98.02382	6.2
98.20574	2.1
100.03917	11.1
101.02343	1.9
102.01861	3.5
106.02829	1.9
109.01597	3.9
110.02360	4.0
112.03931	83.2
113.04258	3.1
116.03430	1.2
122.02362	6.4
124.03938	62.3
125.04294	1.9
127.02683	1.1
140.03433	8.9
142.04999	11.4
146.04424	1.6
223.20592	2.4
236.20010	1.1
243.19562	3.3
250.21646	1.5
278.21265	4.2
278.53754	1.1
296.22403	4.4
308.22327	1.9
314.23279	1.4
324.71652	1.2
326.23447	10.4
343.78372	1.2
344.15417	1.6
344.24469	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	344.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64841	0.8
58.00463	1.4
58.02843	1.9
59.01245	3.5
60.04419	13.3
70.02853	13.8
70.65460	2.5
71.01248	1.6
72.00778	3.5
73.02821	1.9
81.02069	1.5
86.02356	11.9
87.73312	0.7
88.03917	100.0
89.04273	1.1
94.07114	0.8
98.03612	1.0
100.03924	99.0
101.04269	2.4
165.69829	0.7
223.20657	1.8
225.22182	14.7
241.21608	2.3
248.23869	1.7
250.25417	1.5
253.21692	11.9
254.22003	0.9
255.23270	20.4
256.23694	2.5
266.24591	1.2
267.23257	33.4
268.23563	3.3
274.57288	0.9
278.24911	6.7
280.26459	2.9
284.25943	9.4
308.22632	1.7
308.25958	21.2
309.26248	2.8
312.25412	9.7
313.25751	2.2
316.28549	11.9
326.27100	2.6
344.28055	67.8
345.28412	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0614
Annotation	Quercetagetin 3,3'-dimethyl ether
Peak:m/z	Relative Intensity
59.01238	2.8
65.00198	9.6
69.41480	10.4
69.41888	6.4
71.55062	2.7
91.01784	3.9
95.01269	3.0
97.02815	5.3
97.88483	2.3
98.19879	4.7
99.94207	2.0
108.02071	2.9
109.02850	9.7
109.99994	4.6
111.00757	8.0
115.90787	2.4
119.01240	3.9
121.02837	4.3
123.00815	2.3
124.01578	4.9
135.04355	2.4
136.01526	3.0
137.02386	2.8
137.51576	2.1
139.00226	3.7
139.03935	2.7
143.02190	2.1
145.01343	2.7
145.02744	3.0
147.00798	5.2
148.01520	4.0
149.02293	5.5
149.99513	4.3
151.00261	9.7
153.01857	2.3
155.10680	3.4
159.04367	3.1
161.02376	2.7
163.00325	5.5
164.01064	14.8
165.01872	20.9
165.98984	3.0
170.03584	3.4
171.04448	6.4
173.02342	2.7
176.01082	9.9
177.01842	2.4
177.98959	3.8
178.99745	9.0
179.03389	11.6
185.02365	6.4
186.03064	3.9
187.03893	10.1
189.01733	2.7
191.03455	3.8
193.01311	6.4
194.27191	2.5
196.44667	2.4
197.02345	3.9
198.03125	7.2
199.03928	9.3
199.09746	3.0
201.01935	5.6
202.02390	2.9
203.03242	4.9
207.32083	2.4
213.01865	10.8
214.02597	8.9
215.03407	13.2
225.01718	2.8
226.02649	9.5
227.03474	11.6
230.02092	3.8
231.02895	9.1
236.03278	6.7
241.01414	8.6
241.05064	6.1
242.02187	20.3
243.02945	23.0
245.04512	2.8
253.01160	2.8
254.02171	6.6
255.03012	5.3
256.03680	7.6
257.00864	2.6
257.04453	6.6
258.01639	4.9
259.02444	19.7
269.01056	4.8
269.04489	9.7
270.01636	19.9
271.02466	30.7
273.04163	3.5
282.01590	4.7
284.03223	6.1
285.00992	4.1
285.04047	35.5
286.01224	5.7
286.04675	15.0
287.01978	94.4
288.02319	10.3
298.01117	9.0
299.02048	14.8
299.05219	3.7
301.03497	5.9
301.07001	4.5
302.00922	3.3
302.04141	10.4
312.02643	2.4
313.03522	25.7
314.04028	10.4
315.01508	14.0
317.03036	2.9
327.05051	7.5
330.03839	68.3
331.04193	4.2
345.06131	100.0
346.06503	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	345.1092
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.42132	0.6
54.70966	0.6
59.01241	2.5
60.52685	0.6
63.80149	0.6
66.65039	0.6
69.42693	3.8
69.43102	1.1
71.01250	2.1
76.91135	0.7
79.37049	0.6
86.21985	0.8
89.02328	1.5
95.03653	2.1
96.08051	0.6
101.02318	1.3
104.04963	1.1
106.06487	4.2
106.91833	0.6
113.02312	0.6
119.03392	1.3
122.06004	2.7
124.07588	5.8
132.04448	29.5
133.05247	16.8
134.06012	5.3
148.03912	0.8
150.05482	1.5
162.20265	0.6
165.04230	18.8
165.09120	0.8
173.04413	0.8
176.03438	0.9
177.04211	3.2
178.04973	1.5
184.07573	0.8
185.08281	1.4
186.09145	4.5
209.03227	3.5
213.06657	1.8
214.12314	5.2
215.11833	6.2
226.07344	1.1
227.12828	1.1
229.09763	2.7
240.10391	1.0
241.09830	2.2
255.11304	1.0
257.12949	21.4
258.13306	2.3
272.08224	0.6
283.10870	7.1
285.51556	0.7
301.11923	20.6
302.12326	1.7
325.14285	0.6
327.09790	1.7
345.10907	100.0
346.11267	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	346.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.5
59.01248	4.5
66.03359	10.0
69.03330	1.1
70.02835	6.0
71.01266	8.0
73.02821	25.1
76.27477	1.0
82.02861	9.2
83.01262	1.3
84.04433	5.4
85.02839	8.0
86.02357	7.4
92.04945	1.7
94.02864	24.6
94.85104	1.2
96.04421	15.0
98.01724	2.0
98.02354	24.7
100.03932	4.9
101.02303	3.2
102.05496	1.3
103.03790	1.1
110.02370	4.3
112.03932	28.7
114.05501	19.9
124.03917	8.7
130.04965	8.9
132.06557	10.3
142.04994	2.8
148.56308	1.2
157.25642	1.1
183.17451	7.1
197.19121	2.5
199.16795	1.2
211.16835	2.0
213.18536	9.5
225.18704	1.9
227.20192	6.1
227.22096	1.1
239.19975	2.0
240.19626	1.9
250.21591	1.2
260.20261	1.7
262.21799	11.9
264.19846	1.8
266.21268	5.2
274.21884	1.8
278.21304	9.9
280.22858	2.2
284.22128	1.7
292.22913	1.6
296.22379	4.9
326.23407	4.4
335.90753	1.3
344.24405	2.5
346.25998	100.0
347.26416	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	346.2598
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
58.00464	0.7
58.73075	0.4
59.01250	4.4
61.73413	0.4
68.01287	4.4
70.02855	4.4
71.01267	0.6
72.00769	0.8
72.99184	0.6
73.62383	0.5
74.02345	100.0
75.02685	0.8
86.02344	3.2
88.03889	0.5
88.75087	0.5
94.49547	0.5
141.87540	0.4
144.29021	0.5
164.63908	0.5
211.20657	1.3
229.44713	0.6
248.23808	1.3
264.23285	0.6
292.22864	2.7
310.23911	3.2
333.76828	0.5
346.25986	31.4
347.26373	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	346.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82421	0.9
57.03309	2.4
59.01240	4.9
60.05704	0.8
60.41217	1.0
65.99660	0.9
66.03351	3.1
68.01257	1.1
68.18027	0.8
70.01417	4.3
70.02857	13.2
71.01257	12.0
73.02821	12.3
80.07845	1.1
82.02857	3.3
84.04428	7.0
85.02841	5.1
86.02351	2.4
88.88702	0.9
93.03330	1.2
94.02868	11.9
96.04425	10.9
98.02360	53.5
99.02066	1.1
100.03901	5.4
102.05485	1.9
110.02351	2.6
112.03921	9.7
114.01901	1.2
114.05495	5.8
122.02385	1.0
124.03947	2.4
126.05428	1.0
128.03427	1.0
130.04980	8.4
132.06598	4.5
142.04967	1.8
183.17484	4.4
197.19051	1.8
211.16959	1.4
213.18507	7.3
227.20021	1.6
239.07079	1.4
239.20131	2.0
260.20120	1.7
262.21756	4.3
266.21033	1.1
278.21201	2.1
326.23221	1.3
328.24988	3.2
346.25974	100.0
347.12634	2.1
347.26321	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	347.0409
Annotation	aflatoxin B1 dialdehyde
Peak:m/z	Relative Intensity
59.01242	16.4
60.29792	6.6
63.02280	11.3
65.00199	18.7
67.01766	7.9
68.99709	8.1
71.01253	15.5
73.02830	20.5
83.01270	14.8
95.01280	28.5
97.06477	15.8
98.19724	9.6
99.00755	42.2
107.01270	21.5
109.02814	13.5
111.00760	62.9
115.03913	11.3
121.47001	7.8
123.00782	54.2
123.04429	17.1
124.01566	29.1
125.02339	40.6
128.93787	7.1
129.05461	20.8
133.02879	15.7
135.00771	26.3
135.04427	25.0
139.00285	71.7
141.01895	14.4
147.04330	7.7
149.04434	13.8
149.99529	18.4
151.00275	75.2
152.01039	14.3
153.01958	10.3
153.09108	73.7
155.10692	13.5
155.88557	6.7
159.04375	9.2
160.01579	9.6
161.02393	27.5
163.00282	25.5
164.01050	12.1
165.99019	9.7
166.99742	37.2
168.00536	25.6
169.01332	10.9
171.10201	28.7
173.02420	9.2
173.04462	12.4
174.03149	11.6
175.03954	17.3
176.96657	6.8
177.98997	18.4
178.99805	80.1
179.03374	10.9
183.02948	8.0
186.03094	9.3
187.03899	12.9
189.72601	7.5
191.03355	10.8
194.99271	20.3
197.08061	12.4
199.03938	7.4
199.09744	9.0
202.02606	6.8
203.03566	8.6
204.97627	10.9
205.01286	11.2
214.02769	16.3
215.03448	13.8
215.09219	87.4
216.04291	8.4
219.02963	9.2
228.04144	7.7
230.02216	9.4
243.02921	12.3
244.03607	16.9
245.04475	10.8
258.01569	9.6
259.02505	14.4
260.03134	10.2
261.03992	10.4
271.02542	17.7
273.04044	21.2
275.05511	12.7
286.01068	20.3
287.01956	27.0
288.02832	13.7
301.03473	14.1
303.04919	13.7
315.01523	30.4
319.04584	73.1
329.03006	60.6
332.01752	9.0
347.04074	100.0
347.24380	14.8
348.04462	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
59.19421	0.5
65.00192	0.8
66.29934	0.5
69.03324	0.6
71.01258	1.6
71.52520	1.3
73.02803	1.5
75.61958	0.6
76.94969	0.6
85.79599	0.5
89.02325	2.1
92.93302	0.6
94.99935	0.5
95.01273	0.8
103.63057	0.5
107.04912	0.9
109.02842	0.8
113.58025	0.6
123.00735	0.7
131.03474	0.6
133.02846	0.6
134.03619	2.1
135.04416	100.0
136.04753	4.8
139.00276	1.0
149.04456	12.5
151.00308	2.0
154.99812	2.0
155.10703	1.2
161.02348	1.1
166.99730	1.6
169.01404	0.6
178.99831	2.4
179.03423	26.6
180.03732	1.4
181.98582	0.7
190.99841	0.9
194.99303	1.2
206.99326	1.1
215.09148	0.6
231.03026	0.6
251.05649	0.8
259.02658	0.6
273.00296	0.8
287.14948	2.4
311.07727	9.2
312.08151	0.9
317.03033	0.7
347.00809	0.8
347.05435	2.2
347.17160	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	347.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68852	0.7
59.01251	2.8
69.54288	4.5
71.01256	1.4
73.02797	1.2
79.95718	0.5
89.02315	2.2
97.59486	0.6
101.02302	0.8
107.04993	0.7
109.02836	1.1
133.02922	0.9
134.03607	2.2
135.04414	100.0
136.04767	5.3
137.90225	0.7
149.04468	14.8
153.05499	1.2
155.10683	1.7
161.02376	1.3
179.03423	33.1
180.03749	1.6
187.52718	0.6
311.07736	10.6
347.05414	2.1
347.17169	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1135
Annotation	CHEBI:67555
Peak:m/z	Relative Intensity
52.75523	0.4
57.03319	0.7
59.01246	0.5
59.73247	0.4
65.47558	0.4
67.08012	0.3
68.99669	1.4
69.03320	1.3
69.50753	1.1
69.51162	1.4
71.01254	11.7
71.04886	1.0
71.57921	0.4
72.99119	0.4
75.70767	0.4
80.75577	0.5
81.03323	1.7
83.01251	1.5
83.04875	0.9
85.02812	0.7
86.04962	0.4
87.00742	1.5
93.03329	0.7
95.04900	1.4
97.02845	2.5
97.06445	1.5
98.19894	0.8
99.04384	1.2
107.04900	3.8
109.02839	0.5
111.04394	0.6
119.04881	0.4
121.02860	2.1
121.06470	1.4
123.04388	3.6
124.05228	2.3
125.05983	6.9
126.93571	0.5
131.08528	0.6
133.06471	1.3
135.08043	0.4
137.02361	0.5
137.09653	0.5
139.07529	1.8
147.08046	0.8
149.05951	2.3
151.03915	4.0
151.07561	0.7
152.04689	1.9
157.10098	0.6
159.08043	1.2
165.05426	0.9
166.06284	4.3
167.07050	24.0
168.07356	1.2
175.07530	2.4
175.11145	1.0
187.11174	0.6
188.04778	0.4
194.05771	0.7
195.06517	1.1
205.08691	0.6
213.12738	1.2
215.07030	0.5
221.05116	0.6
231.13834	1.3
257.11826	2.0
273.11380	0.7
275.12897	3.0
285.11334	1.6
301.10913	1.3
303.12341	2.0
319.11823	5.6
329.10251	0.9
347.11337	100.0
348.11642	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	347.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.16296	0.7
59.01251	1.9
64.75987	0.8
71.01254	1.6
71.39937	0.9
73.02831	2.8
83.89872	0.7
85.02806	1.6
99.00771	2.4
125.12782	0.8
125.78211	0.9
128.08119	0.8
129.01782	0.9
135.04416	1.0
135.08049	0.9
137.09625	6.6
147.02899	3.7
155.10684	100.0
156.11066	4.5
189.01929	0.8
194.27449	1.1
199.09695	63.6
200.10022	4.0
200.51714	0.7
268.18680	1.0
347.13443	13.1
347.17380	1.2
348.13782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.09131	0.5
59.01252	6.7
70.90872	1.5
71.01260	5.2
73.02823	5.9
75.00746	1.0
76.25264	0.5
85.02834	1.9
87.00757	4.3
89.02316	1.5
93.03340	0.8
99.00739	0.8
101.02325	2.5
109.02817	0.8
110.79934	0.4
113.02340	1.0
119.03406	0.8
123.04420	0.5
131.28973	0.5
135.04399	1.4
135.08051	0.8
137.09622	5.5
138.46223	0.5
140.07060	0.7
147.02934	3.3
155.10689	100.0
156.11047	4.4
156.95239	0.5
158.61560	0.4
161.75092	0.5
165.04063	0.7
167.10666	0.9
173.04437	0.7
178.37990	0.5
179.03394	0.7
185.11775	1.6
199.09697	78.1
200.10042	5.3
232.09074	0.5
315.17566	0.6
347.13324	10.2
347.17148	4.8
348.13702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98674	1.5
69.18790	4.8
69.19220	9.8
73.02824	1.7
98.19829	2.5
122.82861	1.4
155.10641	1.7
191.96184	1.6
192.54433	1.6
195.10425	1.3
213.14865	3.8
224.82619	1.5
336.67636	1.6
347.18533	3.3
363.04044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.9
59.01250	25.4
60.01624	1.0
62.95683	0.8
67.01773	0.8
69.03326	100.0
70.03655	1.5
70.65136	1.3
70.65470	1.3
71.01249	5.3
72.99181	1.6
73.02817	5.0
75.00742	1.3
79.01781	2.3
83.01247	1.1
85.02821	2.9
85.31982	0.9
87.00746	6.7
89.02314	2.8
95.01270	3.3
97.02829	20.4
97.06474	2.6
99.00760	24.5
99.04401	0.9
101.02354	2.3
102.98466	1.0
113.02328	2.7
119.04942	7.0
123.00753	1.5
125.05989	2.2
134.03549	0.8
135.04341	1.2
141.01807	6.1
143.07031	16.8
144.81276	0.8
147.22218	0.7
151.77209	0.8
155.10724	5.7
163.03937	5.8
173.04323	0.8
185.00832	40.4
186.01190	1.2
188.85750	0.8
201.09457	1.2
203.01884	3.5
217.10779	20.1
218.11096	0.9
219.10550	28.5
220.10876	1.2
224.07843	1.5
289.11172	1.9
307.12103	6.0
314.17029	0.8
349.05640	3.4
349.14987	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	349.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.6
58.99446	0.9
59.01249	44.7
69.03326	36.2
69.65262	4.8
70.03656	1.1
71.01257	3.6
72.99206	1.2
73.02826	1.5
74.98977	2.5
75.37122	0.7
79.01771	1.0
85.02834	1.8
87.00261	0.7
87.00748	20.0
89.02304	2.2
95.01265	1.6
97.02827	8.1
97.06463	1.0
98.09763	0.7
98.19784	0.8
99.00751	9.5
101.02350	0.8
102.98487	2.9
113.02306	1.7
113.04186	1.7
119.03445	0.9
119.04884	3.3
123.00736	0.9
129.01833	2.0
134.03577	0.8
141.01807	2.3
143.07048	3.9
155.10680	1.9
161.04440	1.0
163.03909	2.5
173.11742	1.4
185.00841	14.4
201.09500	3.5
203.01921	1.9
209.14423	0.7
217.10739	6.9
218.04941	0.7
219.10548	100.0
220.10831	6.5
224.07942	1.0
232.72026	0.7
242.16965	0.7
289.11188	4.6
307.12204	17.8
307.40030	0.7
308.12558	1.6
315.81454	0.7
349.05634	1.7
349.13226	12.0
349.18546	1.2
350.13519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30703	0.8
55.01751	0.8
59.01250	100.0
59.52507	0.8
60.01591	1.0
69.03327	32.3
70.03660	1.0
71.01254	6.6
71.52625	1.1
72.99192	1.3
73.02841	1.6
83.48483	0.7
83.96505	0.7
85.02815	2.7
87.00751	13.8
89.02300	5.2
90.19039	0.9
95.01271	1.4
97.02818	9.4
99.00763	7.6
101.02333	3.4
102.98493	2.7
113.02336	2.6
113.04158	1.1
117.78889	0.8
117.96259	1.0
119.03409	1.3
119.04929	1.3
134.03523	0.9
135.04362	1.0
141.01854	2.8
143.07014	2.3
155.10619	1.4
161.04459	1.6
163.03944	1.3
173.04523	0.8
179.05569	1.1
185.00842	15.3
191.05438	0.8
201.09526	1.6
203.01920	12.2
217.10776	3.0
219.10553	65.7
220.10818	2.9
248.92654	0.8
289.11288	2.4
307.12210	11.6
349.13202	6.8
349.18665	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	349.1868
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.62479	0.5
55.01752	1.2
57.03308	1.1
58.00454	1.9
59.01252	37.7
69.03349	0.6
70.86464	1.0
71.01252	19.3
72.99179	2.5
73.02809	1.9
73.32941	0.4
83.01250	1.9
84.02044	0.5
85.02814	4.5
87.00737	1.5
89.02317	15.0
95.01240	1.1
97.02837	0.7
99.00751	0.9
99.04367	0.6
101.02325	14.1
103.02200	0.4
113.02325	7.0
119.03392	6.5
136.05186	0.6
139.11148	0.6
141.12752	30.3
142.13075	1.3
155.10683	2.2
155.14320	0.6
163.99661	0.4
169.12245	5.6
171.13759	1.3
179.05511	0.6
183.13863	2.5
187.13321	58.7
187.58682	0.5
188.13676	3.3
199.09650	1.3
199.13322	0.5
229.14391	1.7
247.16331	0.5
331.19214	0.5
349.18649	100.0
350.19003	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	349.1867
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01762	3.2
56.97915	2.7
57.03320	3.1
58.00459	3.6
58.07047	1.3
59.01252	100.0
62.56157	1.3
69.03320	2.1
71.01256	98.3
71.52378	1.5
72.01585	1.5
72.99187	7.9
73.02821	15.5
75.00735	1.3
83.01260	7.4
85.02821	29.0
87.00746	4.7
89.02319	65.8
90.02621	1.7
95.01272	7.1
99.00742	6.9
101.02326	70.1
113.02337	41.7
119.03393	34.5
120.03623	1.6
123.00815	1.3
125.02335	2.0
129.01816	1.3
131.03369	3.6
135.04410	3.0
141.09059	1.8
143.03423	6.1
149.04491	3.1
151.00279	2.0
155.10721	4.8
159.02916	4.2
161.02409	2.1
161.04469	27.3
173.04393	1.6
179.05518	11.0
180.31116	1.5
187.13295	12.1
198.97375	1.4
199.09741	1.5
225.04828	2.5
273.26682	1.4
299.01968	2.5
349.18665	37.3
350.18869	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	350.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.9
59.01243	4.0
61.98700	100.0
68.10383	1.2
69.03323	1.7
69.44969	9.0
71.01250	2.8
71.04858	1.1
76.39759	1.2
83.04912	1.4
85.02812	1.2
87.04391	1.9
93.03324	2.2
95.04910	1.3
98.19810	2.5
99.04402	6.1
107.01240	1.2
113.02328	1.7
114.66886	1.2
117.57764	1.3
133.02876	5.3
135.04382	2.7
135.08049	1.5
153.09026	1.7
173.04405	4.1
177.01941	1.9
226.50531	1.1
240.56255	1.0
340.80640	1.2
351.21799	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	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01247	8.0
67.01762	2.8
69.03319	2.6
69.68422	3.5
71.01260	3.0
77.03848	1.2
85.02824	1.4
87.00747	2.3
93.03333	15.6
95.04918	2.8
98.26857	0.6
99.00735	0.7
105.03342	4.6
107.75423	0.6
108.04449	1.7
109.02833	0.7
111.04382	3.2
121.02849	1.7
122.06019	0.7
123.04419	3.3
126.40347	0.8
127.03889	0.8
132.02065	8.6
133.02847	100.0
134.03160	3.4
135.04433	2.2
137.02318	3.0
138.05479	1.3
139.03860	1.6
149.02379	3.7
150.03099	2.5
151.03905	2.0
152.03418	1.1
155.03403	2.6
164.04681	0.7
166.05017	1.7
167.05739	1.4
173.04468	35.7
175.00380	0.8
177.01857	8.1
178.02438	0.7
179.03513	0.8
185.00697	0.7
190.02602	1.4
191.05534	1.9
195.03017	1.1
205.05122	1.0
215.05417	0.6
221.53398	0.7
289.11923	1.0
307.12964	3.7
351.07214	6.6
351.11826	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57233	0.4
54.69802	0.4
55.01768	0.9
57.03321	1.8
59.00950	0.8
59.01251	12.5
61.98697	1.2
65.51836	0.4
67.01771	1.1
68.99688	0.6
69.03321	0.9
71.01253	15.4
71.23460	0.7
71.23793	0.5
72.99181	4.7
73.02814	1.0
75.00748	15.9
81.03320	0.5
83.01264	1.5
83.04906	0.6
85.02826	16.7
87.00746	6.5
89.02331	3.3
93.03337	3.1
95.01260	4.0
95.04927	0.7
96.51393	0.5
97.68746	0.4
99.00755	7.5
101.05962	100.0
102.06294	2.9
103.00234	2.0
105.03335	0.9
109.02806	1.5
111.00785	2.5
111.04398	0.8
113.02331	17.5
114.02686	0.5
115.00252	2.2
115.42172	0.5
117.01845	3.2
117.29356	0.4
119.04927	1.0
121.02816	0.9
123.04400	1.3
125.02319	1.0
129.01826	1.3
133.02863	6.3
135.04359	1.5
135.49507	0.4
137.02356	1.2
139.00243	0.5
147.04408	1.3
148.04826	0.9
149.04466	1.6
150.03084	0.7
150.04802	0.9
151.03914	0.6
153.38927	0.4
157.01305	0.6
161.02400	0.4
163.03893	0.9
173.04471	5.9
175.02411	1.7
175.05925	0.7
176.03497	0.6
177.01830	1.9
178.02583	0.9
179.03314	0.9
189.04004	0.7
191.05508	1.7
201.03865	0.7
205.07025	0.6
218.04460	0.9
219.04840	1.5
220.06134	0.9
231.05099	2.1
243.42197	0.5
246.25519	0.5
249.06134	14.8
267.07169	1.7
291.10876	0.6
307.13181	0.9
333.11884	2.9
347.32932	0.5
351.12949	55.2
352.13318	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01590	1.4
69.49966	2.0
69.50377	4.9
71.01256	1.3
77.91362	0.9
83.23007	0.9
88.86844	1.1
91.66183	1.0
93.03336	1.1
133.02834	2.8
135.70729	1.1
144.20813	0.9
144.60670	0.9
173.04431	2.7
177.01865	1.1
305.94434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01591	0.9
62.27533	0.5
71.01233	0.9
71.52596	0.7
72.99179	0.6
74.59454	0.6
85.61256	0.7
93.03365	0.8
94.42680	0.6
98.62913	0.6
104.20486	0.6
104.49549	0.6
133.02890	2.7
161.02429	0.6
173.04520	2.4
177.01813	0.8
178.99895	0.8
225.53755	0.7
325.03360	0.7
352.04770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70750	0.4
59.01250	100.0
60.01581	1.3
63.69075	0.4
66.41399	0.4
69.47166	1.4
69.47591	2.0
83.40525	0.5
84.76078	0.4
90.90585	0.4
93.03329	0.5
98.20629	0.8
121.92574	0.5
133.02841	0.9
151.03899	0.7
173.04491	1.3
177.01942	0.7
293.95642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
53.94403	0.3
57.03304	0.5
58.39598	0.3
59.01236	0.4
63.83542	0.3
67.05396	0.7
69.03326	3.8
69.33060	2.6
71.04904	1.8
74.90275	0.3
81.06959	0.5
83.04911	0.8
93.03322	0.4
95.04889	0.5
97.06457	1.0
98.19766	0.5
101.23375	0.3
107.04903	4.4
109.06479	7.9
111.00744	0.5
121.06472	0.6
123.08099	0.4
133.02820	0.3
135.08040	0.5
137.09630	1.4
159.08163	0.5
173.04439	0.3
173.09627	0.5
175.11177	0.8
177.12645	0.4
187.14883	0.3
189.12769	1.0
191.14400	1.7
203.14317	0.4
205.15742	0.4
215.14362	0.4
243.17542	0.8
253.19492	0.7
255.17487	1.4
257.19135	1.6
259.20651	4.2
260.21008	0.6
261.22214	0.7
263.30048	0.4
271.20682	4.9
272.21133	0.6
277.21774	0.8
289.21701	3.0
333.20895	0.5
351.21756	100.0
352.22073	10.1
353.70032	0.3
361.42548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
54.54911	0.2
54.67820	0.2
57.03299	0.3
59.01236	0.3
64.82288	0.2
67.05389	1.3
69.03325	4.4
69.86295	0.9
71.01244	0.2
71.04900	2.3
79.05406	0.2
81.03307	0.4
81.06947	0.4
83.04901	1.6
84.02037	0.3
93.03339	0.3
95.04900	1.2
97.06472	1.8
105.06957	0.2
107.04908	3.5
109.06481	5.9
112.05928	0.2
119.04889	0.2
121.06470	0.5
121.10087	0.4
123.08015	0.6
133.02859	0.5
133.10092	0.3
135.04448	0.2
135.08051	0.6
137.09631	1.5
159.08060	0.4
160.00916	0.2
160.08931	0.3
161.09560	0.2
163.11209	0.3
173.04555	0.3
173.09528	0.3
175.11188	0.7
177.12744	0.6
187.14853	0.2
189.12779	0.8
191.14340	3.6
192.14647	0.3
192.81946	0.2
193.15829	0.3
193.58272	0.2
197.49806	0.2
199.14806	0.2
201.16512	0.2
202.13629	0.3
203.14369	0.4
205.15916	0.6
217.15948	0.9
225.16554	0.2
237.16512	0.4
241.15941	0.3
243.17552	1.6
247.20605	0.4
255.17491	0.9
257.19119	2.3
258.19351	0.2
259.20645	5.5
260.21045	0.5
261.22165	1.7
271.20673	4.9
272.21051	0.6
275.20325	0.3
277.21603	0.8
287.20477	0.2
289.21719	6.9
290.22067	0.6
333.20825	1.3
351.21747	100.0
352.22061	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	351.2176
Annotation	20-OH-Leukotriene B4
Peak:m/z	Relative Intensity
56.80645	0.6
57.03321	3.8
57.31193	0.5
59.01236	1.9
64.84248	0.6
69.03320	5.5
69.20526	2.4
69.20944	4.0
71.01237	0.7
71.04891	1.4
73.02814	2.5
80.02533	1.1
81.03342	0.8
81.06966	7.7
83.04886	8.1
87.04388	1.7
93.03325	1.0
95.04902	25.5
96.05287	0.7
97.02838	0.9
97.06448	1.8
98.03605	2.4
99.04404	16.6
107.04898	2.5
109.06451	0.6
113.05971	14.9
119.08553	15.1
121.06515	1.0
132.75983	0.6
133.02817	2.0
133.10117	0.9
135.08023	1.8
137.09621	26.1
137.69940	0.7
151.11136	1.1
153.09126	1.2
155.10680	0.7
163.07530	2.0
167.10675	9.0
168.11020	0.7
169.12270	0.9
173.04489	2.1
181.08615	16.8
182.08958	1.0
201.16458	1.1
205.15872	1.5
219.13841	1.5
219.17404	2.9
237.14821	1.9
263.16501	2.0
281.17599	0.7
307.22635	0.8
333.20630	1.3
351.21750	100.0
352.22098	10.9
367.43524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.2
61.98708	73.6
63.83025	2.7
67.01738	4.5
67.81854	2.8
69.73687	11.9
71.01254	3.0
72.99154	4.3
73.02809	3.8
85.02818	10.9
87.00764	5.8
93.03333	30.8
95.07648	2.6
99.00748	6.5
99.92625	2.2
100.53812	2.5
107.04947	3.1
109.02843	5.0
111.04409	9.3
119.04904	34.0
121.02853	3.0
125.02328	6.1
133.02884	3.1
134.03696	3.3
135.04422	69.9
137.02338	6.3
145.02892	5.0
148.03961	3.5
151.03882	3.1
153.01897	3.8
155.03401	4.0
161.02357	4.4
163.03914	44.5
173.04472	100.0
179.03397	33.0
191.05528	68.1
191.06866	2.5
207.05052	10.9
249.07730	5.2
351.66599	2.5
353.05115	3.2
353.08829	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	353.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83767	0.7
57.03300	1.4
57.45176	0.7
59.01223	3.4
60.94588	0.7
67.01721	1.4
69.20721	6.2
69.21145	2.1
71.01233	1.8
71.64809	0.8
79.95601	7.9
80.96356	1.4
85.02827	4.4
87.00728	1.1
87.04396	0.8
89.26140	0.8
93.03346	8.3
96.95869	1.8
97.71687	0.7
99.04386	1.4
107.04910	28.4
108.02061	0.9
108.05221	1.6
109.02835	12.7
110.03140	0.8
111.04366	1.2
111.07964	0.8
121.02844	11.4
122.03632	18.2
124.01530	1.8
127.03918	1.1
131.44632	0.7
133.01869	1.5
133.02849	26.5
134.03662	1.9
135.03445	1.5
135.04420	23.1
136.04724	0.8
137.02367	4.9
147.04346	1.4
151.03908	2.1
154.02570	2.3
155.03337	1.2
161.02339	2.4
173.04471	26.0
174.04778	0.9
179.03406	23.1
185.06007	1.3
191.05542	32.4
192.05843	1.0
198.96498	0.7
209.05969	3.2
211.07489	1.2
225.05490	2.6
226.05873	0.8
227.07086	13.6
228.07265	0.9
229.06433	1.5
229.08664	28.4
230.08971	2.0
237.05493	3.1
240.04416	0.9
255.06607	93.5
256.06970	8.0
266.64587	0.8
273.07678	100.0
274.08069	7.6
309.04395	4.6
309.24414	1.8
335.02319	63.1
336.02609	5.3
352.22186	1.2
353.03378	56.1
353.08502	4.8
353.23236	7.4
354.03644	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	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
58.86014	0.6
59.01263	2.6
67.01754	1.5
69.03327	32.8
69.87354	1.0
69.87769	1.9
71.01248	2.6
72.99180	1.2
73.02782	0.6
79.01744	0.8
85.02825	7.9
87.00752	2.1
93.03336	9.2
95.01290	0.9
97.02822	6.6
99.00756	9.5
101.05956	1.0
107.04903	1.0
109.02847	1.6
111.04398	3.0
117.01781	0.7
117.03392	0.8
118.40924	0.6
119.04896	2.9
123.04410	0.7
127.03899	2.6
129.01831	0.6
133.02853	1.3
134.03644	1.2
135.04411	21.0
136.04704	0.7
137.02354	2.1
141.01828	3.5
149.05983	1.2
152.01062	0.7
155.03387	1.9
161.02362	3.4
163.03922	5.3
167.03430	1.4
173.04468	33.9
174.04829	1.2
178.81166	0.5
179.03410	18.3
180.03831	0.5
183.04666	1.0
185.00838	19.5
186.01173	1.6
191.05539	100.0
192.05875	4.0
207.05115	1.6
243.06654	1.1
249.07851	0.7
271.09515	0.8
313.95813	0.6
316.82162	0.5
327.36218	0.5
353.04977	3.6
353.08832	6.5
353.13123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.2
58.86014	0.6
59.01263	2.6
67.01754	1.5
69.03327	32.8
69.87354	1.0
69.87769	1.9
71.01248	2.6
72.99180	1.2
73.02782	0.6
79.01744	0.8
85.02825	7.9
87.00752	2.1
93.03336	9.2
95.01290	0.9
97.02822	6.6
99.00756	9.5
101.05956	1.0
107.04903	1.0
109.02847	1.6
111.04398	3.0
117.01781	0.7
117.03392	0.8
118.40924	0.6
119.04896	2.9
123.04410	0.7
127.03899	2.6
129.01831	0.6
133.02853	1.3
134.03644	1.2
135.04411	21.0
136.04704	0.7
137.02354	2.1
141.01828	3.5
149.05983	1.2
152.01062	0.7
155.03387	1.9
161.02362	3.4
163.03922	5.3
167.03430	1.4
173.04468	33.9
174.04829	1.2
178.81166	0.5
179.03410	18.3
180.03831	0.5
183.04666	1.0
185.00838	19.5
186.01173	1.6
191.05539	100.0
192.05875	4.0
207.05115	1.6
243.06654	1.1
249.07851	0.7
271.09515	0.8
313.95813	0.6
316.82162	0.5
327.36218	0.5
353.04977	3.6
353.08832	6.5
353.13123	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
52.68575	0.7
59.01242	2.6
67.01764	3.5
70.78819	2.2
71.01257	3.6
74.43752	0.6
81.03325	1.6
83.01270	0.8
83.04894	1.3
85.02828	12.3
87.00757	2.5
93.03336	24.2
94.03657	1.0
107.04916	1.5
109.02827	1.6
111.00780	0.9
111.04394	5.2
113.02351	0.9
114.71879	0.7
127.03894	3.3
133.02840	2.1
134.03610	4.7
135.04417	77.1
136.04759	5.1
137.02362	4.0
155.03418	5.4
161.02341	5.2
173.04475	79.5
174.04878	4.1
179.03424	67.9
179.05722	1.1
180.03799	4.1
191.05544	100.0
192.05869	3.6
353.08807	11.3
354.09302	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00519	1.1
53.57629	1.3
55.93984	1.1
59.01239	1.8
60.99168	1.4
67.01766	3.8
68.40348	1.3
69.03320	1.4
70.33054	2.5
70.33441	2.4
70.99595	1.3
71.01257	4.4
83.04863	1.7
85.02808	8.4
93.03336	24.3
98.19806	1.5
100.07475	1.5
103.34509	1.4
105.83173	1.4
107.04803	1.3
111.00702	1.7
111.04385	9.2
134.03632	1.8
135.04411	83.3
136.04764	4.2
137.02344	7.6
142.12045	1.5
149.95680	1.9
155.03398	4.9
161.02357	4.8
173.04468	100.0
174.04771	4.5
179.03418	68.5
180.03728	3.1
182.69823	1.5
191.05539	69.4
192.05833	3.3
240.79221	1.3
353.08737	4.0
370.45862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03306	1.3
59.01241	4.0
63.95053	1.2
67.01762	2.4
70.68671	2.5
71.01262	1.8
73.02841	1.5
83.04900	1.8
85.02354	1.6
85.02827	21.9
87.00752	3.6
89.76366	1.0
93.03345	11.2
93.06590	1.1
98.97945	1.2
99.04346	1.3
102.03570	1.2
107.04909	4.2
108.15920	1.2
109.02827	2.7
111.04396	3.3
127.03934	6.1
133.02846	2.9
134.03639	17.0
135.04416	100.0
136.04752	5.0
137.02339	1.5
155.03355	1.4
161.02348	3.3
171.02823	1.6
173.04462	5.0
179.03415	12.0
191.05544	63.0
192.05869	2.3
192.42581	1.2
193.67015	1.2
280.06442	1.1
367.20898	1.2
371.10870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
54.67967	0.3
59.01253	0.6
67.01758	0.3
69.03324	2.0
69.59811	1.2
69.60236	0.5
71.01250	0.4
73.02834	0.2
77.94296	0.2
79.88861	0.2
80.22975	0.2
85.02820	5.2
87.00751	1.1
93.03349	1.9
97.02776	0.4
99.00800	0.3
109.02847	0.4
127.03944	1.5
133.02864	0.8
135.04422	1.9
140.02493	0.2
148.59203	0.2
155.03545	0.3
161.02344	2.6
171.02888	0.5
173.04448	2.7
179.03392	1.4
185.00864	0.7
191.05553	100.0
192.05890	4.2
308.61606	0.2
353.08804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83239	0.8
70.47771	2.8
75.44675	0.9
80.38068	1.0
85.02825	2.6
87.00774	0.9
93.03347	3.8
125.87389	0.9
127.03932	1.7
134.03647	2.1
135.04413	41.9
136.04736	2.4
137.02455	1.2
155.03415	1.9
161.02342	3.1
173.03102	1.4
173.04491	16.6
179.03416	58.3
180.03780	3.7
180.21478	1.1
191.05534	100.0
192.05789	4.1
229.81107	0.8
264.73282	0.9
321.36871	0.9
353.08798	11.9
354.09277	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64228	0.3
57.03324	0.9
59.01245	1.4
60.99162	0.5
67.01749	1.5
70.85494	1.0
71.01250	2.3
73.02783	0.5
77.29361	0.4
81.03318	0.5
83.04919	0.7
85.02824	7.0
87.00745	1.4
92.44036	0.4
93.03336	13.3
94.03670	0.5
99.04358	0.4
107.04919	0.4
109.02836	1.1
111.00768	0.7
111.04391	3.2
118.54034	0.4
127.03936	2.0
133.02878	0.6
134.03641	1.3
135.04419	35.5
136.04732	1.4
137.02357	2.3
155.03416	2.4
161.02377	3.4
165.67010	0.3
171.02852	0.6
173.04480	43.4
174.04828	2.2
179.03433	29.5
179.04674	0.5
180.03682	1.8
191.05550	100.0
192.05905	4.4
225.89796	0.4
243.60080	0.4
353.08835	5.1
354.09033	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	353.0878
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
57.03311	0.7
59.01243	2.6
67.01768	4.6
69.03323	1.1
70.72883	0.9
71.01255	3.4
81.03335	1.4
83.04887	1.5
85.02824	7.9
87.00761	2.3
93.03335	26.0
94.03686	1.0
99.04408	0.7
107.04903	1.4
109.02855	1.3
111.00747	1.2
111.04404	5.4
117.03339	0.4
127.03893	2.4
133.02847	1.5
134.03632	4.6
135.04416	71.9
136.04767	3.6
137.02356	6.0
146.72710	0.4
148.95039	0.4
155.03398	6.0
161.02390	3.8
171.02921	0.5
173.04472	100.0
174.04787	4.4
179.03421	71.2
180.03769	3.6
191.05540	52.4
192.05885	2.2
210.09380	0.4
231.02345	0.4
237.85596	0.4
353.08737	11.0
354.08963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89455	0.3
57.03328	1.1
59.01254	2.1
65.28214	0.3
65.95337	0.4
67.01769	3.6
69.03335	0.6
71.01262	3.1
71.22530	0.7
72.99584	0.4
81.03345	0.6
83.04906	1.1
85.02816	4.9
87.00764	1.0
89.76201	0.3
91.44246	0.3
93.03335	22.1
94.03658	0.8
98.53207	0.4
99.00790	0.4
99.04369	0.4
107.04958	0.5
109.02840	1.8
111.00765	1.0
111.04394	5.0
113.02331	0.4
114.58856	0.4
127.03909	1.6
133.02858	1.1
134.03636	1.9
135.04417	64.7
136.04765	3.6
137.02342	5.8
138.02682	0.5
155.03409	6.4
161.02362	4.3
171.02841	0.4
173.04472	100.0
174.04808	4.4
179.03421	65.4
180.03758	3.3
191.05544	52.3
192.05907	2.7
304.85120	0.4
353.08746	7.5
353.13107	0.4
354.09143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.36667	0.3
70.64363	0.6
70.64706	0.4
75.48507	0.3
96.95905	1.2
135.04420	1.0
148.26923	0.3
163.11197	90.2
164.11519	5.6
173.04504	1.1
177.09128	67.4
178.09470	4.0
179.03366	0.7
191.05504	2.1
222.08904	0.8
337.69742	0.3
353.21204	100.0
354.21545	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2333
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
57.03324	4.1
59.01256	2.5
67.01763	1.0
69.03324	5.9
69.50445	2.5
70.07633	0.4
71.01248	2.5
71.04890	5.0
71.81577	0.4
72.02037	0.5
73.02833	2.2
81.03316	1.0
81.06970	1.3
83.04895	4.6
85.02827	3.5
85.06481	0.6
87.04395	6.3
93.03334	4.8
95.04941	0.6
97.06511	0.6
99.04399	18.9
100.00228	0.4
100.04750	0.5
101.05958	3.4
109.06475	6.0
111.04404	1.3
113.05977	0.8
127.07531	1.5
133.02782	0.4
134.03661	0.7
135.04422	11.4
135.05450	0.8
135.08092	1.0
136.04749	0.5
137.02284	0.7
141.09132	0.5
143.11928	0.4
150.01401	0.4
153.09123	3.3
155.03471	0.6
155.10643	0.4
159.05354	0.4
161.02357	0.7
165.12753	1.4
173.04472	11.5
179.03415	9.6
181.12273	1.5
191.05545	16.4
192.05856	0.7
203.17892	0.9
209.15399	1.1
223.05910	0.5
223.17029	1.2
247.16968	1.2
275.20245	0.9
307.22815	1.4
309.24292	1.6
353.08868	1.8
353.23318	100.0
354.13486	1.2
354.23672	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91170	0.7
59.01260	1.7
65.00218	1.3
71.01238	1.5
73.02837	1.2
78.18442	0.8
85.02836	0.9
89.02313	2.0
91.05436	1.0
93.03322	0.8
95.16446	0.8
97.28513	0.9
98.19690	1.8
109.02792	1.2
117.03311	1.2
119.04875	1.6
121.02837	17.4
123.00784	0.8
132.02066	2.7
135.04407	1.3
147.04422	6.2
149.02347	100.0
149.04404	6.5
150.02650	2.9
150.05589	0.9
151.00269	1.6
152.01036	1.2
163.03899	1.4
164.04706	59.6
165.05037	2.7
178.99722	1.1
179.07030	3.4
202.01494	1.0
208.03654	1.0
223.06067	88.6
224.06384	3.9
225.88821	0.9
243.02989	0.9
316.02145	2.0
329.03250	1.3
338.02972	1.1
356.04245	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19820	3.5
59.01247	57.0
69.71463	17.8
71.01235	8.7
73.02842	4.7
85.02804	11.5
93.03316	11.8
94.03658	4.3
101.02338	6.1
109.02844	4.3
113.02374	4.1
119.30973	3.6
121.02825	13.4
135.04410	11.8
136.04765	6.6
147.04425	8.8
149.02348	97.3
149.04376	4.3
150.02702	5.8
163.57704	3.8
164.04700	65.8
165.05087	4.2
173.04463	20.2
174.04881	5.3
176.54063	7.1
179.03375	10.1
179.06992	3.2
180.04021	4.4
191.05511	8.5
204.49397	3.6
223.06084	100.0
224.06325	8.7
232.36769	3.6
236.71599	3.5
246.71010	3.5
257.09546	3.5
258.56442	3.5
268.82364	3.6
269.10172	6.9
311.10373	7.1
350.55936	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68769	0.4
55.01761	27.7
57.03308	0.6
59.01244	1.6
69.41631	1.0
69.42043	2.5
71.01258	2.4
71.04888	0.5
72.42695	0.3
72.99189	0.5
73.01620	0.3
73.02824	3.2
83.01259	4.9
85.02834	1.3
87.00767	1.9
93.03339	0.8
99.00761	0.5
111.00752	1.5
111.97903	0.9
112.98674	0.9
113.05946	0.4
115.07586	0.5
117.01837	2.5
118.97987	0.4
121.10110	0.4
123.04439	0.5
127.00269	2.4
128.20503	0.4
135.04395	1.3
136.04764	0.4
137.02339	0.4
137.09619	1.3
139.97394	0.5
150.05815	0.4
153.56071	0.3
154.99774	100.0
155.10669	5.8
156.00105	2.7
167.03413	0.6
170.29965	0.4
173.04503	1.4
174.04849	0.9
175.04947	0.8
178.21545	0.4
179.03424	1.0
179.10654	0.7
180.03889	0.4
181.79507	0.4
191.05559	0.8
192.05917	0.7
193.06044	0.9
199.09660	0.9
227.99205	0.4
256.00381	0.4
297.08817	0.4
355.25018	0.8
373.10483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.75003	1.5
59.01246	1.9
70.85284	2.3
78.39369	1.2
85.02821	2.7
86.44380	1.2
101.06024	1.8
103.47451	1.3
109.02856	3.0
122.03644	8.6
132.35335	1.2
135.04417	29.5
142.43372	1.4
147.08090	2.5
149.05984	1.9
149.09666	6.8
151.07497	1.9
154.02629	2.1
161.09676	7.6
163.07530	4.1
163.09836	2.8
163.11201	52.3
164.08337	16.1
164.11536	3.1
165.09114	8.6
177.09123	67.7
178.09901	20.6
179.10696	78.3
180.11005	5.8
183.10239	1.8
191.10687	10.8
193.08623	10.3
280.14679	4.9
298.13165	1.1
298.15717	49.3
299.16098	6.1
337.21747	51.6
338.22025	6.5
340.20444	75.7
341.20822	10.7
355.22778	100.0
356.23090	14.3
376.41376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	9.4
59.01246	4.0
70.16092	2.8
71.01254	2.4
71.04891	12.2
72.02055	0.7
73.02840	1.7
83.04887	1.9
85.02824	3.5
85.06462	4.6
87.00760	0.8
87.04395	30.3
92.01653	0.8
93.03323	1.3
97.06464	2.7
99.00776	1.2
99.04408	0.9
109.06508	1.2
111.08036	7.7
123.04388	1.0
123.08009	1.0
124.60744	0.7
125.02309	1.6
125.09594	3.2
135.04329	1.3
136.07568	1.3
137.02350	0.9
137.09618	6.8
139.11198	1.8
141.12750	18.7
145.02873	0.9
149.99463	1.5
151.11197	8.8
153.09177	0.8
153.12740	4.4
154.99783	0.9
155.10681	2.9
163.11229	1.9
169.12288	8.6
173.04468	1.0
177.12740	3.1
181.03648	0.8
181.12274	2.0
183.13858	8.1
185.15396	0.8
195.13806	1.9
197.15384	1.0
209.15395	0.9
211.16968	1.8
223.20605	2.9
227.16451	2.4
229.18033	2.3
233.19020	8.1
234.19554	1.0
251.20131	6.9
259.20694	1.0
265.21750	8.7
275.23834	1.3
277.21661	8.5
278.22128	1.1
280.24225	0.8
293.24774	1.8
295.22800	9.1
309.24356	14.5
310.24878	0.9
311.25912	36.9
312.26306	3.5
319.19208	1.1
323.10162	0.8
355.24881	100.0
356.25214	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	355.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88395	0.9
57.03325	7.1
59.01241	5.4
63.82496	0.8
64.75156	0.8
69.03342	1.0
71.01254	3.3
71.04888	11.4
71.53396	1.4
73.02820	1.8
82.11375	0.8
83.04894	2.9
85.02821	3.5
85.06488	4.0
87.04391	29.3
91.55764	0.7
91.65122	0.9
93.03365	1.0
93.22947	0.7
97.06483	1.0
99.04390	1.1
106.97998	0.9
107.04922	1.0
108.84976	0.8
109.06460	1.6
111.08049	6.7
113.02334	0.9
123.08060	1.1
125.02287	1.3
125.09611	3.1
136.07544	0.9
137.04851	0.9
137.09634	8.0
139.11188	1.5
141.12750	19.6
141.13777	1.5
142.13132	1.1
142.82408	0.8
142.83632	0.9
150.06696	0.9
151.11188	7.8
153.12740	3.5
154.99741	1.7
155.10666	4.5
163.11217	2.2
165.12729	1.2
167.14331	0.8
169.12279	7.8
171.13837	1.3
173.04454	1.8
177.12779	2.8
181.12236	1.1
183.13814	8.1
185.28006	0.9
193.15956	1.2
195.13762	0.9
209.15416	1.4
211.16930	1.5
223.20659	3.9
227.16534	1.3
229.18130	2.5
233.19135	7.0
241.18274	0.8
243.78152	0.8
251.20161	4.3
253.21696	1.4
265.21808	7.9
267.23511	1.0
275.23785	1.7
277.21713	9.6
293.24805	1.0
295.22775	9.9
296.23172	1.2
309.24368	14.3
311.25912	38.4
311.29562	1.9
312.26227	4.0
319.19247	1.0
355.24875	100.0
356.25189	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	355.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	34.1
59.01250	2.7
59.36194	0.8
64.83072	0.8
69.03335	2.1
71.04893	10.9
83.04874	2.2
85.02834	1.9
85.06464	2.2
87.04362	1.1
97.06462	4.9
99.08054	0.9
101.22426	0.7
109.02783	1.1
109.06480	0.8
111.08031	1.9
113.09577	2.4
123.08007	2.1
125.02304	1.7
125.09610	5.8
127.11176	9.0
137.02351	1.6
137.09607	2.3
139.11182	4.7
141.09081	1.8
141.12735	8.0
142.35622	0.8
151.11232	1.4
151.70496	0.9
153.12741	7.5
155.10670	1.8
161.09724	0.8
165.01801	1.6
165.12695	1.2
167.10710	1.0
169.12253	10.9
171.13806	13.9
183.13824	20.8
184.14032	0.9
189.09146	2.7
193.58554	0.8
200.14027	1.2
227.16557	5.4
229.17996	1.8
235.20572	5.0
237.18655	3.1
251.20111	5.6
253.21725	30.7
254.22005	2.6
267.23270	15.2
268.23560	1.3
275.23944	1.2
293.24866	2.1
295.10596	0.9
295.22711	0.9
311.25909	69.5
312.26215	7.0
337.10666	1.2
337.23895	0.9
355.24881	100.0
356.25244	12.3
366.80017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20747	0.8
57.03326	14.6
57.68073	0.8
59.01257	6.5
69.03322	1.0
71.01242	1.6
71.04904	5.3
71.19992	0.8
71.51476	1.1
71.51865	1.0
80.04609	1.0
83.04903	1.6
85.02819	3.2
85.06463	4.7
87.04391	1.9
87.87416	1.0
95.04918	0.9
97.06494	2.1
104.99829	1.0
109.06455	1.8
111.08040	9.1
112.08363	1.3
113.09615	3.3
123.08097	1.3
124.63751	0.8
125.02312	0.9
125.09584	2.3
126.68778	0.8
127.11192	5.7
127.86258	0.9
137.09598	3.4
139.11188	3.0
141.09077	1.0
141.12743	5.6
151.11136	1.4
153.12758	1.8
155.10664	5.1
155.14252	1.2
165.12769	2.8
167.14291	1.5
169.12245	2.7
171.13841	11.6
177.12761	0.9
183.13831	9.5
184.14131	1.6
185.15356	7.5
189.09097	0.9
197.15442	4.7
199.16969	2.6
211.17050	1.3
223.20528	1.5
229.18013	5.2
253.21712	11.3
265.21722	2.6
267.23267	22.3
268.23813	1.4
283.08676	1.3
293.24808	1.6
311.25909	57.3
312.26425	4.7
327.07556	1.3
355.24881	100.0
356.25293	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	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
57.03327	8.3
59.01246	4.7
59.98881	1.2
71.01247	3.0
71.04889	11.9
71.52879	1.4
72.75366	1.2
73.02816	2.3
79.44286	1.0
85.02801	2.6
85.06456	3.7
87.04387	34.2
93.03301	1.7
97.06437	1.6
111.08044	5.9
125.09551	1.8
129.70506	1.2
137.09604	7.7
139.11183	2.6
141.12758	22.4
141.86963	1.2
151.11174	9.6
153.12703	2.8
155.08080	1.2
155.10695	2.1
158.43193	1.3
163.11139	2.1
169.12230	8.3
177.12733	2.3
181.12263	2.5
183.12381	1.0
183.13766	7.6
195.13890	1.8
211.17001	1.7
223.20602	3.2
227.16417	1.6
229.18042	1.7
233.19040	7.9
251.20177	6.6
265.21658	8.6
275.23526	1.3
277.21646	10.9
278.22025	1.5
295.22757	8.7
309.24289	17.4
310.24789	2.1
311.25903	46.8
312.26306	4.5
327.15189	1.2
337.23526	1.5
355.24878	100.0
356.25305	10.0
357.09457	1.4
373.52881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0409
Annotation	Aristolochic acid IVa
Peak:m/z	Relative Intensity
52.07700	2.7
59.01254	3.9
59.51752	3.0
60.05881	3.5
63.02281	4.9
63.74135	2.7
65.00195	15.1
69.03314	4.1
69.29613	26.5
71.01235	4.0
72.39764	2.9
82.77815	2.9
83.01249	8.4
85.02825	3.8
85.77717	3.0
95.01246	7.3
98.20601	7.2
99.00771	5.4
107.01252	13.9
109.02844	5.3
109.99974	14.5
111.00767	11.7
121.02868	7.8
123.00777	10.7
124.01587	4.5
125.02319	6.6
133.02811	6.7
135.04382	8.5
136.01559	2.9
137.02332	3.5
137.99466	4.2
139.00258	17.2
141.01848	3.5
148.01515	4.4
148.03938	5.9
149.02306	9.1
150.05418	4.9
151.00281	33.7
152.00951	6.0
161.02412	12.5
162.01842	8.7
163.00310	9.8
163.59708	2.9
164.01070	11.1
164.98238	4.7
165.98978	14.3
166.99779	16.6
169.01295	7.3
171.04466	3.3
173.04475	4.7
176.03456	10.1
177.01846	13.7
178.99789	38.2
179.03401	3.2
186.01860	7.1
187.04063	5.0
188.03448	4.0
190.01328	6.4
192.00529	8.1
193.01277	17.2
193.63515	3.3
194.99300	12.5
198.01924	9.1
199.03935	5.2
202.01427	15.2
206.99236	7.6
211.04028	3.9
214.01231	16.6
215.03471	5.7
218.00844	4.9
220.02394	3.7
227.03531	3.7
230.00798	6.8
239.03311	4.6
242.02193	6.9
243.02991	7.3
255.02985	8.8
257.04492	5.8
267.02979	5.0
270.01425	3.9
270.04053	4.8
271.02475	16.3
272.03073	5.6
283.02402	4.7
284.05591	5.4
285.04077	8.0
287.01938	4.1
299.01920	14.0
301.03540	14.9
310.03586	9.9
311.01895	25.0
312.05096	4.2
316.02228	100.0
317.02521	12.3
328.04526	6.1
329.03128	18.6
338.03000	31.4
356.03937	96.3
357.04623	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	356.0984
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01252	1.8
64.24271	0.5
69.03324	1.8
69.47421	2.0
69.47849	2.5
70.23900	0.5
71.01255	1.5
78.09595	0.5
85.02837	0.6
95.01302	0.7
99.00748	0.9
101.02306	0.8
106.06509	100.0
107.06838	4.3
109.02834	1.0
109.99990	0.9
111.00764	1.4
112.88640	0.6
113.02335	2.1
118.06513	3.7
120.08115	0.7
123.00781	0.7
132.93562	0.6
135.04485	1.1
139.00284	1.6
146.06015	1.3
149.02347	1.0
150.05515	87.2
151.00298	1.6
151.05850	2.6
153.01837	0.6
161.02403	0.9
163.00284	0.6
164.01015	0.6
164.07079	11.9
165.99062	0.7
166.99886	0.7
177.01811	0.6
178.99785	2.2
185.00774	0.8
186.01891	0.9
192.06613	10.1
193.01390	0.7
194.04536	13.4
202.01344	1.0
236.05600	1.0
242.62982	0.7
243.02972	0.9
245.50124	0.6
255.02917	0.5
266.93341	0.7
271.02567	0.7
285.03949	0.8
294.04477	0.7
296.07724	2.3
299.01999	1.1
301.03546	1.3
310.03787	1.3
311.01987	1.8
316.02261	4.7
317.02780	0.9
329.03214	1.6
338.03070	1.3
356.04224	4.4
356.09814	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49990	6.8
59.01262	11.7
61.23850	6.7
61.98705	100.0
69.17392	78.1
72.51343	7.6
72.80611	8.0
76.28999	7.4
88.47286	6.6
98.19783	15.2
98.71080	6.8
102.86862	6.8
103.85982	6.9
121.02844	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.85725	0.2
51.44276	0.2
51.74536	0.2
57.03338	0.6
59.01245	1.3
69.38050	1.7
73.02802	0.3
73.86288	0.2
92.15221	0.2
93.03309	0.3
94.02849	0.2
98.19835	0.4
108.45435	0.2
111.08010	0.3
121.02841	100.0
122.03167	3.7
136.07576	0.4
145.09430	0.2
165.01784	1.1
171.10097	0.3
175.13570	0.3
180.05731	1.8
181.06505	6.3
182.06772	0.3
197.06018	0.2
199.07593	0.3
225.05515	6.1
226.05949	0.5
243.07813	0.4
271.07227	0.7
290.82779	0.2
311.22223	0.7
311.25668	0.3
313.07169	7.6
313.27307	0.5
314.07425	0.9
327.25214	0.3
339.06155	0.5
357.06146	28.8
357.26431	7.2
357.30890	0.3
358.06543	3.3
358.26630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
55.88124	1.5
59.01232	5.3
61.61797	1.6
69.26261	12.3
69.26686	5.9
71.01241	3.8
93.03325	2.1
94.00290	1.9
94.59542	2.0
100.66613	1.8
100.97157	1.7
108.02060	27.2
109.02819	7.0
113.02269	1.9
121.02869	2.9
121.06458	1.8
122.03623	8.3
123.04414	37.1
131.04910	4.4
135.04388	5.0
137.02420	2.8
145.02818	3.1
147.04414	6.1
148.05197	8.2
149.02322	3.5
149.05919	8.9
150.03152	9.3
154.99759	2.0
158.03606	5.5
159.04428	16.4
160.05223	26.5
161.02364	3.1
161.05969	6.5
162.03139	5.2
163.03780	3.0
165.05453	4.9
174.03154	5.9
175.07568	8.8
176.04648	6.0
177.05490	94.0
178.06245	25.3
179.06522	2.2
180.04108	3.2
187.03931	12.8
188.04683	20.3
191.07079	28.2
192.04196	4.4
192.07845	10.6
203.07083	100.0
204.07388	5.7
206.05780	16.8
207.06081	1.8
210.05267	9.8
219.06485	3.7
220.07391	4.2
221.08138	66.9
222.08482	5.9
224.06874	18.9
226.06267	6.4
227.07262	3.1
241.08788	2.4
254.09421	3.2
263.06982	3.4
269.11826	26.5
270.12094	4.0
279.06607	2.1
280.07425	2.9
281.08035	4.6
296.10422	2.9
299.13031	3.0
306.09106	2.9
309.07584	4.8
311.12766	3.3
313.10739	6.7
313.23892	3.3
321.11301	2.1
324.09952	5.3
327.12378	8.4
339.12375	36.9
340.12799	2.9
357.06107	2.1
357.09988	3.8
357.13538	31.8
357.22678	8.3
358.14072	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	357.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34956	0.4
57.03049	0.7
57.03320	10.0
59.01251	3.7
67.07636	0.4
67.96607	0.4
69.17579	5.1
71.01250	1.6
71.04889	3.4
72.02030	0.5
73.02846	1.1
73.87508	0.4
83.04915	0.9
84.02016	0.7
85.02834	1.0
85.06453	3.6
87.04390	26.3
95.04936	0.5
97.06478	0.8
108.44158	0.5
109.06465	0.7
111.04494	0.5
111.08041	4.9
113.09619	2.5
123.08046	1.7
125.09592	2.4
127.11195	1.9
137.09630	1.2
139.11182	4.9
141.09135	0.9
141.12770	3.1
151.11166	1.2
153.12720	1.2
155.10725	2.7
155.14374	1.2
155.18120	0.5
157.12202	0.5
165.12798	2.0
167.10728	0.9
169.12280	2.6
171.10199	3.6
171.13814	13.4
172.14122	1.2
181.12360	0.6
183.13808	7.5
185.15396	4.8
188.49319	0.5
191.14388	0.5
191.39478	0.5
195.13904	0.5
197.15414	2.3
201.14967	2.4
211.17012	0.6
215.16467	0.5
229.08655	1.1
229.18080	2.3
233.18961	1.1
235.20596	0.6
251.20317	0.6
253.21687	9.0
265.21664	0.5
267.23257	6.5
268.23450	0.5
277.21698	1.2
279.23224	1.7
293.96118	0.4
295.22784	1.9
295.26257	0.7
297.24323	20.0
298.24673	2.2
309.24173	0.6
311.22983	0.3
311.25900	19.4
312.26440	2.4
313.27496	28.5
314.27814	3.8
326.08517	0.4
357.22928	4.7
357.26471	100.0
358.22879	0.7
358.26794	11.8
368.11237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.03054	0.4
57.03321	8.3
59.00968	0.4
59.01230	2.1
69.03329	0.5
69.27928	0.7
69.28320	3.5
71.01248	0.5
71.04900	2.4
72.02033	0.5
73.02822	1.5
83.04890	0.8
85.02811	0.8
85.06454	2.9
87.04389	21.4
88.04710	0.5
98.19798	0.9
103.72432	0.4
109.06469	0.5
111.08037	4.4
113.09618	2.1
113.32561	0.4
123.08029	1.3
125.09615	1.6
127.11157	2.0
137.09610	1.5
139.11140	2.9
141.09178	0.5
141.12749	3.6
143.10568	0.5
151.11139	0.7
151.63747	0.5
153.12749	1.1
155.10674	1.9
155.14319	1.2
157.12265	0.5
165.12752	1.8
167.10626	1.0
169.12280	2.0
171.10196	0.9
171.13826	10.0
181.12263	0.7
183.13838	5.8
185.15395	3.9
197.15442	2.3
201.14856	3.0
213.15044	0.4
215.16428	0.7
229.17946	2.3
233.19122	0.6
235.20572	0.7
251.20084	0.5
253.21674	8.1
254.22083	0.6
265.21692	0.5
267.23254	6.0
268.23669	0.7
277.21652	0.8
279.23251	1.2
293.24875	0.6
295.22757	1.1
295.26196	0.9
297.24338	17.6
298.24713	1.6
311.25897	16.1
311.29538	0.8
312.26154	2.0
313.27478	23.7
314.27881	2.7
325.11841	0.5
357.26443	100.0
358.26788	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	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	31.8
59.01250	8.9
69.03322	1.7
71.01266	0.6
71.04898	1.7
73.02824	1.7
83.04897	1.4
85.02803	1.4
85.06417	0.8
87.04393	15.0
89.09009	0.6
97.06466	1.9
98.19823	1.2
99.08054	1.1
111.08037	2.5
113.09645	1.3
122.93724	0.6
125.09592	4.0
127.11212	3.5
129.78894	0.6
137.09581	2.1
139.11168	1.7
143.10686	1.1
151.11165	0.9
153.12758	11.4
155.10648	3.9
167.14285	1.5
169.12241	5.9
170.12608	0.7
171.13802	5.8
183.13852	0.7
201.14954	2.2
206.89659	0.6
221.19099	1.8
223.20592	0.9
229.18034	9.8
229.27068	0.6
230.18419	0.8
233.19080	1.3
235.20535	0.6
239.20177	3.6
253.21680	5.5
266.81934	0.6
267.23245	1.8
272.16879	0.6
277.21689	1.6
279.23288	1.7
293.24875	0.9
297.24225	4.0
311.25983	6.5
312.26294	1.3
313.27481	37.1
314.27902	4.2
357.26443	100.0
358.26843	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	358.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87813	0.5
59.01246	3.0
62.59907	0.6
63.05226	0.7
64.50323	0.6
64.81383	0.5
66.77442	0.6
69.03329	2.1
71.01247	3.0
71.52511	0.7
72.99187	1.7
81.96082	0.5
83.01264	0.9
83.60282	0.6
85.02835	1.8
89.02366	0.8
95.01242	0.6
99.03057	0.6
101.02345	1.0
108.08076	100.0
109.08421	3.8
113.02359	1.2
117.32124	0.6
120.08085	3.8
124.17571	0.7
132.08128	1.2
133.02823	0.8
135.04427	1.7
147.03009	0.7
148.07587	1.9
151.00301	1.3
152.07080	77.1
153.07408	2.4
161.02330	4.3
164.07109	1.0
166.08649	15.3
167.09120	0.8
174.63901	0.6
176.07089	1.2
178.99777	1.2
185.00803	1.4
191.76094	0.7
194.08173	10.1
196.06093	52.3
197.04585	1.2
197.06450	2.7
238.07161	7.1
239.07663	0.8
298.09506	4.7
322.21112	0.9
358.05768	0.9
358.11411	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	358.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32055	1.2
56.74507	1.3
59.01246	6.2
62.63512	1.4
70.72616	3.4
85.12988	1.1
86.02352	100.0
87.02672	1.3
211.20570	1.6
253.21779	2.3
296.22058	1.3
323.80090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90682	2.2
59.01245	20.6
67.01777	6.3
69.51991	8.2
69.52418	9.2
71.04874	2.6
78.67780	2.4
83.12735	2.3
93.03334	44.4
95.04893	3.3
101.02328	3.1
107.04915	29.1
109.02835	23.0
111.04408	3.0
114.73875	2.4
117.03378	2.3
119.04945	7.8
121.02832	15.5
121.06463	3.1
122.03626	3.8
123.04418	7.1
133.06462	5.6
135.04422	9.3
135.08072	4.5
136.05223	3.9
137.05988	97.8
138.06342	2.4
145.02869	4.3
151.03917	100.0
151.07530	14.1
152.04259	5.6
159.07991	3.5
161.05984	28.7
162.03079	5.8
163.03949	4.8
164.04684	18.1
165.05684	2.1
179.07054	71.4
180.07478	2.5
202.61540	2.1
216.43813	2.5
227.03265	2.3
258.46835	2.7
269.11661	2.6
287.12784	3.1
313.10721	12.8
331.11902	10.1
359.11386	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	359.1138
Annotation	9,10-Dihydro-8-hydroxy-10-methyl-8H-pyrano[2,3-h]epicatechin
Peak:m/z	Relative Intensity
53.77392	2.1
55.01753	3.5
57.03314	9.6
59.01256	17.3
65.03843	2.6
67.01757	7.4
69.03333	12.2
69.45741	17.7
71.01235	7.3
78.41685	2.8
81.03330	5.6
83.01258	38.9
83.04882	5.1
84.02059	11.5
85.02824	23.5
87.00751	17.0
87.04360	4.6
93.03332	14.9
93.06960	4.5
95.01259	7.9
95.04908	16.4
97.02826	7.6
97.06474	3.7
99.00713	4.6
102.98468	8.2
106.04153	2.3
107.04915	33.0
108.02037	10.8
109.02845	45.8
109.06464	9.1
111.04377	8.7
119.04910	7.6
121.02836	15.8
121.06487	8.0
122.03613	5.8
123.04420	17.5
123.08064	2.5
125.02325	2.7
127.03915	2.9
133.06499	8.0
135.04407	31.0
135.08047	11.2
136.05168	2.6
137.02313	10.0
137.05981	34.0
145.06531	3.6
147.04408	8.7
147.08026	5.3
147.10039	2.3
149.05925	5.5
150.03102	4.0
151.03918	80.5
151.07588	14.5
155.10681	3.9
157.06534	4.2
159.08118	14.0
161.02278	2.7
161.05905	9.3
161.09613	8.2
162.06795	3.6
164.04660	9.5
165.05455	5.4
173.04372	2.9
173.09650	2.5
175.07581	18.7
175.11151	9.3
177.05360	2.4
177.09138	25.4
178.06378	2.6
179.07063	88.5
180.07381	5.9
183.08255	4.5
185.09775	4.8
197.09779	4.4
201.09154	4.1
201.14973	3.0
203.28105	2.9
205.08630	12.7
207.06644	6.2
211.07884	8.3
225.12828	5.9
227.10655	3.1
229.08969	9.6
231.10193	3.6
243.10156	2.6
243.13863	5.9
247.06082	6.1
253.12320	5.8
261.07846	4.3
269.11777	10.8
271.09872	5.2
271.13333	10.9
287.12936	10.6
288.13443	3.0
297.11295	6.6
313.10840	9.1
315.12408	36.1
316.12582	3.8
329.14026	3.3
331.11835	23.4
332.12091	4.2
341.10193	3.8
344.16296	14.4
359.11285	100.0
359.14874	10.0
359.18701	11.8
359.23715	11.8
359.28201	12.6
360.11624	15.9
364.35242	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69159	2.6
55.01746	3.0
56.97924	2.7
57.03315	7.0
58.99469	13.6
59.01238	14.5
64.77942	2.6
67.01759	7.0
69.03331	9.2
70.80105	6.2
71.01256	6.1
74.98959	7.3
79.05407	2.9
81.03320	6.8
83.01257	33.2
83.04889	6.0
84.02050	5.4
85.02818	18.6
86.31053	2.5
86.64144	2.5
87.00768	16.6
87.04394	2.5
89.00556	4.0
93.03305	14.6
95.01258	9.8
95.04913	15.9
97.02799	5.7
102.97836	4.7
102.98470	55.1
107.04905	31.2
108.02058	7.8
109.02157	3.0
109.02843	40.3
109.06474	6.3
111.04403	11.2
114.01333	7.1
119.04887	5.1
121.02838	15.7
121.06445	4.5
122.03627	7.2
123.02618	6.9
123.04398	17.3
123.08099	2.8
125.02325	3.1
127.03905	4.7
129.06944	2.8
133.06461	8.4
133.68443	2.6
135.04410	28.5
135.08133	5.7
136.05186	3.9
137.02361	22.7
137.05983	34.0
138.01372	4.2
145.06598	3.1
147.04491	3.0
147.08008	8.0
149.09630	3.9
150.03059	3.7
151.03909	74.8
151.07526	6.7
151.11142	9.0
152.04298	3.2
155.08855	4.7
157.06458	4.8
159.08026	15.7
161.06001	6.3
161.09639	9.6
163.07599	3.0
164.04701	11.3
165.05475	4.3
165.07323	4.8
165.09105	6.0
167.08932	26.9
171.10228	3.0
175.07556	19.3
175.11140	9.0
177.05519	2.7
177.09111	30.9
178.09511	3.4
179.05482	4.3
179.07059	87.8
179.10609	6.2
180.07352	2.8
181.06845	19.3
182.07657	8.2
183.08372	20.4
185.09962	26.6
187.11238	4.3
191.10626	2.7
193.12599	3.0
195.10229	3.6
197.09857	3.4
197.11685	5.1
205.08592	7.9
207.06590	6.0
211.07909	71.1
212.08223	5.1
218.67644	2.5
225.09566	6.1
225.12830	5.7
227.14290	2.9
229.08984	85.0
230.09326	6.8
237.09401	5.0
243.13893	3.5
247.06094	4.5
250.86334	2.8
253.12277	4.5
267.55862	2.9
269.11774	5.7
271.09964	4.9
271.13376	11.0
287.12888	8.3
292.92719	2.4
297.11237	7.6
299.09573	2.9
313.10629	4.0
315.12363	44.2
316.12408	5.3
317.55261	3.0
325.76315	3.3
329.13858	4.5
331.11752	25.1
332.12112	3.1
341.10458	3.5
344.16309	22.9
359.11307	100.0
359.18274	27.7
359.24155	10.6
359.27917	14.0
360.11795	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	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
51.52477	1.1
59.01253	24.8
60.14451	1.1
71.01252	10.9
73.02814	3.1
76.92703	1.3
83.01276	1.4
85.02837	7.7
89.02313	8.2
95.01268	1.5
97.06461	3.4
99.04384	2.3
101.02325	5.2
104.95644	1.3
107.08513	1.5
111.04416	1.4
113.02325	6.4
119.03373	3.4
120.12491	1.5
121.02734	1.6
123.08059	2.2
133.10126	2.6
135.04405	3.0
135.08043	5.0
139.00291	1.5
151.00294	1.3
151.03879	1.3
153.09123	100.0
154.09412	3.8
161.04384	1.4
177.65321	1.6
178.99770	2.3
179.03432	1.4
195.10202	1.3
197.08136	82.8
198.08386	5.6
206.51524	1.4
207.13799	2.6
225.14903	2.4
229.54070	1.4
239.09166	1.7
241.10767	2.6
243.16081	2.0
359.07565	2.2
359.12866	1.6
359.24387	2.1
372.59177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.35303	0.5
58.56239	0.5
59.01246	0.9
63.52229	0.5
65.03828	2.0
67.01761	4.7
69.03326	1.7
71.01223	1.2
71.33273	1.1
74.74919	0.5
81.03338	1.2
81.06973	0.7
81.72141	0.7
83.04895	1.1
87.42456	0.5
93.03337	2.5
95.04865	0.6
98.14878	0.5
107.04901	7.4
109.02835	25.4
109.06472	6.1
110.03178	1.2
110.06787	0.6
111.04358	1.2
137.02309	1.4
137.05971	1.8
141.06995	0.6
147.08064	1.1
159.08043	4.2
161.09633	1.1
175.11214	0.9
193.23451	0.6
203.07062	7.6
203.10674	3.5
205.08594	3.4
205.12277	0.9
219.13843	2.6
221.11752	1.0
229.12401	1.3
231.97398	0.6
247.13477	1.7
273.14923	1.6
297.14716	1.1
313.14529	3.2
315.16022	13.5
316.16132	1.3
331.15442	0.9
359.14978	100.0
360.15344	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	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.3
59.01243	3.6
69.03303	0.6
71.01249	0.5
73.02792	0.4
87.04380	0.9
93.50681	0.3
98.19808	1.4
111.08044	0.4
112.12150	0.3
125.09672	0.4
127.11164	1.3
137.05962	0.5
141.12747	0.7
164.73909	0.3
185.11714	0.4
219.79695	0.3
239.12842	0.3
253.21765	0.4
271.22745	0.7
295.23062	0.5
311.22461	0.7
311.25955	1.0
313.23846	5.8
314.24319	0.5
317.23367	1.9
318.23517	0.4
325.23734	0.4
341.27097	2.1
342.27509	0.4
357.26428	1.3
359.28012	100.0
360.23895	0.6
360.28354	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	360.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	19.2
62.09498	7.6
65.99700	10.1
68.99677	10.1
71.01251	14.6
71.07583	19.3
72.79048	9.2
72.99184	8.3
75.26034	8.6
85.02856	22.9
87.00787	10.5
93.03362	45.2
95.01258	9.3
99.00774	12.1
99.04382	11.2
109.02840	38.1
111.00797	27.4
111.04432	23.7
118.86440	8.9
121.02837	20.2
123.00786	25.7
123.04430	24.7
125.02331	72.1
134.02444	9.9
135.04405	28.7
137.02350	70.3
139.00291	25.3
140.01004	11.8
141.01846	26.2
149.02316	26.9
149.04314	7.6
151.00299	8.3
152.04733	8.1
153.01881	56.2
154.99739	20.5
155.03398	16.3
159.04451	15.0
161.02362	19.1
162.01836	9.2
163.03893	9.6
164.03445	12.2
165.01839	25.4
167.03375	21.4
173.04485	87.9
173.05894	12.4
175.03914	17.5
176.03464	21.5
177.01872	18.7
178.01338	12.8
179.03413	16.5
181.01364	12.4
187.03909	15.2
188.03494	14.1
191.03673	18.4
191.05478	100.0
192.02925	20.8
193.04965	10.9
195.02992	9.9
197.04404	9.9
200.03366	14.5
201.82504	9.6
215.03378	9.5
225.05324	8.8
242.05774	12.0
256.06052	12.5
257.08240	26.9
285.11203	12.4
324.05222	16.4
342.06216	44.9
360.07123	92.2
360.10849	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	360.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.7
69.84792	60.2
72.99198	10.8
83.01289	10.4
85.02828	17.4
85.87357	10.1
88.50974	9.7
91.53047	9.4
93.03336	42.8
95.01294	16.7
96.04397	10.2
98.20447	21.0
99.00743	17.6
101.02304	13.1
109.02842	73.4
111.00699	51.7
112.66355	11.7
121.02863	17.7
123.00765	30.4
123.04414	15.6
125.02355	100.0
135.04398	20.6
137.02342	93.2
139.00278	35.5
141.01816	20.9
149.02364	46.1
151.00279	16.6
151.03908	37.1
153.01839	74.8
154.99796	18.6
155.10684	47.9
161.02359	31.8
163.03932	21.9
164.03464	29.2
165.01869	30.1
167.03345	17.5
173.04475	44.0
175.03908	32.1
176.03421	23.9
177.01886	25.5
179.03412	21.3
181.01402	15.0
186.69710	11.5
187.03796	14.1
188.03407	15.4
191.05496	11.3
192.02946	21.8
197.04132	11.8
199.09714	37.4
222.03990	10.9
229.05270	13.0
252.61206	12.0
272.05713	13.6
298.07233	12.4
302.03986	14.7
320.91483	11.3
324.05173	18.6
334.02402	11.5
342.06094	33.5
360.06949	73.1
360.11124	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	360.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60532	0.4
59.01252	3.9
71.01268	0.5
71.32067	0.4
71.32413	0.7
71.91406	0.4
73.02848	0.4
101.02310	0.5
123.03167	4.4
135.04408	0.4
137.02396	0.5
137.09569	0.4
138.05511	100.0
139.05879	3.3
144.93886	0.3
150.48097	0.4
151.03752	0.4
152.07100	0.7
155.10667	2.3
159.69148	0.4
161.04495	1.2
180.06554	0.4
191.19987	0.3
199.09695	2.7
244.38197	0.4
282.09845	2.1
300.10934	1.5
376.19308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42881	1.1
55.87244	1.1
58.00452	4.0
59.01258	18.2
60.04416	2.7
66.03383	1.2
70.02835	6.3
71.01254	41.2
71.22636	1.5
71.22974	1.9
72.00777	2.0
72.04403	4.8
72.99181	3.3
82.02832	7.6
83.01244	1.4
84.04416	5.2
85.02834	4.5
86.02351	40.6
88.03918	40.7
94.02877	2.5
96.04425	13.1
98.02353	7.2
100.03924	100.0
101.02328	2.8
109.01577	3.6
112.03938	24.2
116.03424	10.5
118.04982	1.9
138.79778	1.2
153.92728	1.2
205.59126	1.2
211.20633	11.7
225.22281	3.4
237.06226	1.1
237.22214	2.3
241.21715	15.4
253.21767	1.5
261.22247	1.3
264.23135	2.2
276.23410	1.3
277.03915	3.5
278.24820	10.3
294.24332	4.9
295.22556	1.4
306.24402	32.0
307.24673	2.6
324.25458	4.4
332.28073	16.2
342.26389	3.0
354.85864	1.3
360.27554	68.1
361.13232	29.4
361.28030	6.6
379.14246	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	2.1
59.01252	7.7
66.03513	2.4
67.01756	2.6
70.84056	6.2
71.01255	8.6
72.99182	70.0
73.02816	4.8
79.95620	2.6
81.03332	7.4
85.02827	5.3
86.63335	2.2
87.00771	8.9
89.02320	13.2
93.03329	29.0
95.01314	5.6
95.04913	10.4
97.02840	2.8
101.02313	3.2
104.27498	2.4
105.01853	2.7
105.03329	4.1
108.02074	6.7
109.02842	24.4
111.04436	6.8
117.25912	2.3
121.02856	20.6
122.03632	4.7
123.00785	10.2
123.04412	42.4
124.01569	21.8
124.04774	3.1
125.02377	3.0
131.03401	3.7
133.02867	7.0
134.75067	2.4
135.04396	5.1
136.01564	5.4
137.02344	100.0
138.17059	2.4
139.03908	22.9
149.02386	22.9
149.04434	44.1
151.03922	12.6
165.01881	4.8
165.03992	17.4
167.03423	50.9
173.04468	8.7
186.05606	3.9
187.16637	2.7
191.05534	5.1
193.01335	4.5
195.02994	6.9
200.58968	2.4
205.03506	4.2
211.02371	3.7
229.03473	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	361.1295
Annotation	Gibberellin A21
Peak:m/z	Relative Intensity
50.95477	0.3
57.03318	1.4
59.01242	1.9
64.80104	0.3
67.01761	1.1
69.03327	3.2
69.35232	1.6
69.35658	1.2
71.01247	0.9
74.81480	0.3
77.77058	0.3
82.65494	0.3
83.01237	0.4
84.57755	0.3
85.02785	0.4
91.05395	0.3
93.03348	2.1
95.01248	2.3
95.04899	0.9
97.06465	0.5
99.80910	0.3
100.53245	0.3
107.04899	2.0
109.02841	1.3
109.06481	2.8
111.00782	0.5
119.04843	0.6
121.06493	5.3
123.04440	1.0
123.08050	26.1
124.08408	1.1
125.05947	0.9
133.06473	0.3
133.71501	0.3
135.04387	0.7
135.08040	1.5
137.09636	0.7
139.07527	0.7
145.06514	0.4
147.08069	0.8
149.06013	0.6
151.07695	0.3
153.05484	11.3
154.05830	0.7
155.10669	2.8
158.07364	0.3
159.08066	0.8
161.06015	0.6
161.09598	2.0
163.07552	1.4
169.08549	0.5
175.07536	0.4
175.11186	4.6
176.11720	0.4
177.09097	3.2
177.12668	0.5
179.10707	3.8
187.07536	1.0
195.10292	0.5
199.09641	0.9
201.09155	0.6
223.09612	0.7
255.13861	0.9
261.11325	1.4
269.11697	0.5
270.62170	0.3
273.14996	1.0
297.11353	3.7
298.11816	0.5
299.12979	0.5
310.06778	0.4
315.08716	0.7
315.12396	13.5
316.12823	1.3
317.13934	10.9
317.17014	0.3
318.14310	1.2
324.14554	0.3
329.12241	0.5
335.15186	1.2
359.11285	1.2
361.12921	100.0
362.13235	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	361.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.8
59.10034	1.5
59.25710	1.5
69.75745	4.5
69.76138	4.2
70.12798	1.3
71.01262	6.2
72.10058	1.5
72.99177	1.5
73.02818	2.8
76.63300	1.5
78.09257	1.5
78.39242	1.4
83.01290	1.5
85.02834	3.1
89.02330	3.4
98.19839	2.1
101.02332	5.7
102.61633	1.7
109.02791	1.6
110.05982	3.7
111.47318	1.5
113.02344	2.6
116.04986	1.7
118.06511	2.1
122.06011	15.1
123.04391	2.6
131.03636	1.9
132.04442	2.6
135.04439	2.0
137.09622	9.5
138.05505	28.8
139.05862	25.1
144.04439	5.2
145.05247	17.5
146.05998	7.0
147.03133	1.9
148.03937	4.0
155.10686	59.3
156.11020	3.0
159.03148	4.9
160.03957	56.4
161.04735	33.3
162.05473	3.2
164.03430	2.8
173.04541	2.4
175.05089	1.8
176.03453	12.3
177.04192	8.7
188.03491	5.3
189.04239	75.7
190.04808	6.6
192.02910	3.2
193.03732	17.1
199.09697	50.5
203.04443	3.0
209.23624	1.5
221.03275	20.2
221.06749	18.5
221.08446	1.5
225.06927	1.7
227.08083	3.1
231.11398	3.5
241.10847	2.3
243.11378	6.8
245.09285	8.2
253.05875	7.4
255.07689	2.9
255.11348	19.3
256.05011	2.2
267.11377	34.2
268.11673	2.9
271.07028	2.8
271.11371	2.0
283.10757	5.3
285.12402	4.7
299.10385	21.3
300.28989	1.7
311.10376	40.6
312.10626	2.9
317.11514	1.9
326.06671	1.8
329.11465	14.1
331.12958	25.3
332.13116	1.7
343.09338	8.0
343.12949	100.0
344.13272	11.6
361.10138	4.3
361.14108	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.8
59.10034	1.5
59.25710	1.5
69.75745	4.5
69.76138	4.2
70.12798	1.3
71.01262	6.2
72.10058	1.5
72.99177	1.5
73.02818	2.8
76.63300	1.5
78.09257	1.5
78.39242	1.4
83.01290	1.5
85.02834	3.1
89.02330	3.4
98.19839	2.1
101.02332	5.7
102.61633	1.7
109.02791	1.6
110.05982	3.7
111.47318	1.5
113.02344	2.6
116.04986	1.7
118.06511	2.1
122.06011	15.1
123.04391	2.6
131.03636	1.9
132.04442	2.6
135.04439	2.0
137.09622	9.5
138.05505	28.8
139.05862	25.1
144.04439	5.2
145.05247	17.5
146.05998	7.0
147.03133	1.9
148.03937	4.0
155.10686	59.3
156.11020	3.0
159.03148	4.9
160.03957	56.4
161.04735	33.3
162.05473	3.2
164.03430	2.8
173.04541	2.4
175.05089	1.8
176.03453	12.3
177.04192	8.7
188.03491	5.3
189.04239	75.7
190.04808	6.6
192.02910	3.2
193.03732	17.1
199.09697	50.5
203.04443	3.0
209.23624	1.5
221.03275	20.2
221.06749	18.5
221.08446	1.5
225.06927	1.7
227.08083	3.1
231.11398	3.5
241.10847	2.3
243.11378	6.8
245.09285	8.2
253.05875	7.4
255.07689	2.9
255.11348	19.3
256.05011	2.2
267.11377	34.2
268.11673	2.9
271.07028	2.8
271.11371	2.0
283.10757	5.3
285.12402	4.7
299.10385	21.3
300.28989	1.7
311.10376	40.6
312.10626	2.9
317.11514	1.9
326.06671	1.8
329.11465	14.1
331.12958	25.3
332.13116	1.7
343.09338	8.0
343.12949	100.0
344.13272	11.6
361.10138	4.3
361.14108	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1506
Annotation	Gibboside
Peak:m/z	Relative Intensity
52.10727	0.6
55.71317	0.6
57.03352	0.8
57.31702	0.6
58.00490	0.6
59.01238	3.8
68.02385	1.2
71.01247	2.2
71.12095	1.4
73.02818	3.5
85.02834	2.1
87.04390	2.5
89.02325	0.9
101.02316	1.6
105.96207	0.6
110.05938	0.6
111.04477	0.7
113.02318	2.2
122.06062	0.7
135.08064	1.8
137.09627	11.8
145.05240	1.0
155.10684	100.0
156.11020	5.0
160.03966	3.0
161.04636	1.6
164.03403	1.1
169.12218	1.3
177.24165	0.6
181.08670	1.6
189.04221	3.4
199.09691	81.7
200.10010	5.3
213.11163	1.3
221.03204	0.7
241.10805	5.0
243.11806	0.7
267.11270	1.1
311.10391	2.0
323.39267	0.7
331.13284	1.0
343.12823	3.9
361.14313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.15989	0.5
58.00465	0.6
59.01255	4.7
71.01244	3.0
73.02814	2.5
84.62141	0.6
85.02831	1.2
87.04418	1.7
88.52236	0.5
89.02327	2.1
98.19731	1.2
100.36531	0.5
101.02345	0.9
113.02312	2.6
135.08058	1.9
137.09618	15.4
137.10629	1.0
138.09982	0.7
155.10686	100.0
156.11012	5.0
169.12273	0.8
181.08636	1.9
199.09694	87.3
200.10065	6.1
213.11243	1.0
241.10736	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03308	0.6
59.01255	7.1
64.50565	0.5
65.99706	1.7
69.01913	1.1
69.03300	0.7
69.95253	1.5
69.95650	0.7
71.01245	4.2
71.04900	5.6
72.99187	0.5
81.71999	0.5
82.02856	30.4
83.01254	2.8
83.03180	0.7
85.02832	1.8
89.02307	3.8
92.04927	0.9
93.03335	0.7
94.02858	2.8
95.01249	0.5
99.00742	0.9
101.02303	2.9
105.02102	0.7
108.04431	0.8
109.02853	0.7
110.02369	1.1
113.02363	2.2
118.02795	0.5
119.03393	1.4
119.04952	0.6
120.00780	0.7
120.04424	1.4
121.01588	0.9
122.02374	1.8
122.05985	4.5
124.03902	0.4
136.03941	24.1
136.07533	1.0
137.02368	0.6
137.04317	0.6
138.05551	0.8
139.03844	0.7
139.11171	3.1
149.04630	0.7
150.05542	0.6
152.03374	1.4
155.10681	1.2
160.03964	0.6
160.07553	1.4
161.04597	0.6
161.07121	1.5
162.01881	0.5
162.05539	0.6
164.03448	32.8
165.03802	1.8
165.09119	1.0
173.04510	1.1
174.05481	0.6
176.07162	0.6
177.10242	0.6
178.08653	0.8
180.02966	0.7
182.04556	3.0
183.10204	28.1
184.10573	1.4
188.07086	0.8
194.04529	22.2
195.05289	6.2
196.06094	23.0
197.06425	1.1
199.09698	1.1
202.08731	2.7
203.08377	0.5
204.06630	1.5
207.02884	0.8
215.05956	0.8
215.08224	0.8
216.10220	0.5
217.06088	1.3
219.11363	0.7
227.08260	0.5
228.06540	1.6
229.06142	1.0
231.07660	2.4
241.09799	0.6
242.08226	1.0
243.04083	0.6
243.11340	0.6
244.09767	5.4
245.09247	2.9
254.06985	0.5
255.05304	0.8
258.06436	1.9
259.07172	1.3
259.10910	1.1
269.09320	1.5
270.07727	4.5
271.07230	3.3
272.07785	0.8
287.10367	100.0
288.10742	8.4
291.09842	1.9
313.08167	2.4
319.12946	1.9
331.09332	43.7
332.09692	2.8
363.11911	6.3
363.16531	4.6
364.11975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67939	0.4
59.01251	100.0
60.01588	0.6
60.32674	0.4
64.93491	0.4
69.32307	3.7
71.01263	1.7
72.22031	0.4
73.02821	1.3
85.02853	0.7
89.02325	1.7
89.22486	0.4
101.02355	1.8
113.02319	1.2
139.11218	0.9
154.99608	0.4
160.07626	0.4
161.04504	0.7
163.17528	0.4
168.97612	0.4
201.11238	2.0
286.35175	0.4
304.12088	0.6
322.13058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
59.01252	100.0
60.01588	1.2
60.97590	0.7
65.00202	0.7
66.59769	0.8
69.03323	0.8
71.01247	1.3
71.04905	0.8
71.08499	1.3
71.08842	0.7
72.99175	0.6
73.02821	4.4
83.04904	0.8
83.25373	0.6
85.01972	0.6
85.02821	1.2
87.00751	0.8
89.02338	1.0
111.00860	0.7
113.05998	1.0
125.09608	3.9
127.00315	0.6
132.10712	0.7
135.04395	0.7
139.00281	1.8
141.01920	0.7
145.04993	1.0
149.04469	6.3
150.84717	0.6
151.00305	1.4
151.07573	1.2
154.99805	2.1
161.67824	0.7
166.99840	1.0
169.08618	4.5
178.99825	1.4
182.54033	0.6
194.99434	0.6
196.46054	0.6
200.95197	0.6
206.44028	0.6
213.07677	2.2
231.08690	6.4
237.43652	0.7
293.79034	0.7
321.22037	0.7
363.03647	1.0
363.13202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89297	1.5
59.01254	100.0
63.66315	1.3
64.82194	1.3
65.00592	1.3
71.01250	4.6
80.00621	1.4
84.85681	1.4
92.49290	1.3
93.47165	1.3
149.88560	1.3
211.20691	1.5
241.21669	7.7
253.21683	6.0
303.25311	11.3
359.29971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37543	12.6
59.01250	42.7
61.98709	100.0
62.44201	9.7
71.01223	19.1
73.02833	15.5
83.01290	12.8
121.02829	15.1
125.02332	12.8
151.00255	48.6
161.05959	13.0
178.99721	18.6
208.89488	9.5
275.09204	10.6
301.03534	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	364.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98280	24.5
59.01252	100.0
59.39600	25.8
71.52629	27.0
96.95908	22.1
101.96699	23.0
108.64460	28.5
125.27045	19.8
163.07800	20.9
181.88165	21.2
261.46124	23.3
261.70297	22.0
287.21198	24.4
364.22549	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02565	33.0
59.01254	78.3
69.82977	38.2
86.02637	35.3
87.61144	40.1
91.26043	35.2
98.19745	63.5
123.47495	35.0
179.16277	38.0
364.22644	100.0
374.75168	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.2
57.03319	0.7
59.01252	3.2
67.01756	1.2
68.99694	0.9
69.03327	0.5
70.03137	0.9
71.01257	2.4
72.99186	0.5
73.02808	0.2
83.01257	0.8
85.02821	5.6
85.99969	0.5
87.00755	1.8
89.02326	0.6
91.03861	0.2
95.01295	0.9
95.47774	0.2
97.02850	0.3
99.00744	0.4
101.05961	100.0
102.06297	2.8
111.00765	2.0
113.01067	0.2
113.02331	5.0
114.02688	0.2
129.01851	1.0
139.00276	0.9
157.01343	0.8
163.38873	0.2
173.04483	0.4
189.03987	0.4
205.07143	1.7
210.30157	0.2
213.36783	0.2
231.05046	0.5
263.07697	6.1
264.07910	0.4
281.08801	0.6
295.09421	0.2
333.11926	1.2
365.14478	26.6
365.17877	1.1
366.14816	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
71.01280	0.6
81.68274	0.6
101.02354	0.7
109.09997	0.5
113.02382	0.6
140.77481	0.6
145.02910	0.7
155.10739	1.0
185.13307	0.6
274.61234	0.6
318.64380	0.7
321.20877	1.0
365.04773	0.9
365.19748	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	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96416	45.6
59.01254	82.6
70.44468	49.2
71.23291	100.0
88.68684	41.6
101.68752	42.4
134.53708	42.1
208.90100	39.8
225.43594	45.3
234.38536	41.8
262.78668	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	366.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60006	17.4
59.01248	100.0
77.16383	16.2
96.85445	20.4
98.20575	52.9
101.02299	21.4
112.76482	17.7
173.04453	23.0
180.41870	16.7
212.08090	18.7
237.74521	16.7
238.12543	17.4
302.16251	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	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94695	5.4
83.04891	1.7
85.02818	1.6
89.03845	3.6
93.03341	6.5
98.20527	2.5
111.04404	2.7
117.03346	12.2
118.48325	1.2
122.03609	2.0
134.03632	100.0
135.03957	3.8
137.02318	1.9
149.05966	6.4
155.03438	2.2
173.04451	6.7
191.05589	7.3
193.04988	59.9
194.05402	3.0
207.85921	1.3
299.98380	1.2
367.10501	1.6
368.10831	1.5
383.76779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01257	1.3
60.99171	0.8
67.01759	4.1
69.03327	0.9
69.60796	1.3
71.01252	2.5
73.41132	0.2
81.03332	1.0
83.04890	0.8
85.02815	1.2
87.00743	1.3
89.03854	0.3
93.03335	24.6
94.03680	1.0
99.00773	0.3
99.04396	0.3
104.39309	0.2
109.02837	0.6
111.00752	0.7
111.04408	4.3
113.02345	0.4
117.03353	1.9
127.03911	0.7
134.03635	16.0
135.03978	0.6
137.02344	4.5
138.02614	0.2
147.67868	0.2
149.02341	0.7
149.06030	1.0
155.03397	4.5
173.04471	100.0
174.04788	3.5
191.05545	19.3
191.07336	0.4
192.05872	0.6
193.04996	17.9
194.05360	1.0
367.10324	3.0
368.10397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46060	0.3
53.28360	0.4
57.03318	1.7
59.01244	2.9
60.99167	1.1
63.52518	0.4
67.01763	7.1
69.03324	1.6
70.87330	0.8
70.87688	0.6
71.01256	5.0
81.03338	1.7
83.04901	1.6
85.02822	2.9
87.00731	1.1
89.03862	0.5
89.28160	0.3
93.03338	41.4
94.03658	1.2
99.04388	0.5
109.02852	1.2
111.00762	1.3
111.04404	7.6
113.02337	0.5
117.03352	2.2
127.03925	0.8
129.01845	0.4
134.03639	40.4
135.04027	1.8
137.02351	6.2
149.06004	3.2
153.54967	0.4
155.03423	4.3
173.04483	100.0
174.04834	3.7
191.05562	11.0
192.05800	0.5
193.04994	15.4
194.05417	1.0
195.62595	0.4
206.60811	0.4
367.10397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00532	0.3
51.85224	0.2
53.32331	0.3
59.01242	2.8
60.99174	0.6
67.01759	1.1
69.03313	0.5
69.72492	0.6
69.72897	1.1
71.01232	2.0
72.99168	0.4
73.02830	1.5
81.03331	0.8
83.04893	0.4
85.02824	9.6
86.03153	0.3
86.49035	0.3
87.00750	3.6
93.03335	7.7
98.19870	0.5
99.00761	0.5
99.04369	0.4
101.02293	0.6
109.02838	0.9
111.04424	1.9
113.02318	0.4
117.03349	5.8
119.04951	1.4
127.03916	2.4
130.90906	0.3
134.03635	4.5
137.02362	0.5
145.02855	20.8
146.03198	0.8
163.03972	1.6
171.02907	0.7
173.04468	4.7
175.03925	0.5
187.03935	0.6
191.05536	100.0
192.05873	3.5
193.04982	1.8
265.95377	0.3
274.73975	0.3
367.10318	1.8
370.87112	0.3
389.83786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01255	1.4
69.03337	2.7
69.51780	1.8
69.52192	1.0
71.01241	0.8
73.02824	2.5
79.01761	0.4
83.04900	0.5
85.02816	0.7
87.95424	0.3
93.03355	0.8
95.01282	0.9
97.02829	40.2
97.06467	0.8
98.03163	1.2
98.20606	0.4
99.04399	1.1
109.06464	0.4
113.02360	0.7
116.44658	0.3
120.02030	0.5
123.04424	0.4
125.02342	1.6
134.03618	0.9
135.08060	0.8
137.02356	3.0
137.09622	7.2
141.01823	0.5
146.03624	0.4
151.03976	0.5
155.10686	100.0
156.11015	5.2
164.01065	1.5
165.01839	2.6
173.04507	2.2
175.03967	0.5
175.59314	0.4
177.01877	0.9
187.07614	0.6
191.05609	0.6
193.05000	0.5
198.95271	0.4
199.09692	68.9
200.10023	3.8
201.09201	0.8
229.08640	1.5
305.21042	0.6
323.12714	0.7
349.20331	0.5
367.11005	4.4
367.21225	6.3
368.21381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2127
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
51.02267	0.4
55.01754	0.7
56.27504	0.2
57.03325	2.0
59.01246	1.2
65.03809	0.2
67.01758	0.9
68.99678	0.2
69.03326	9.3
69.55513	0.4
69.55916	1.2
71.01253	4.2
71.04897	1.5
73.02818	0.4
80.30181	0.2
81.03349	0.4
83.04899	7.6
84.02058	1.2
85.02342	0.4
85.02821	4.5
85.06466	0.4
87.04392	1.1
89.02296	0.3
93.03349	1.2
94.04127	0.4
95.01245	0.5
95.04906	4.2
97.02827	15.1
97.06464	1.7
98.03101	0.2
98.03642	1.7
98.19789	0.4
99.00746	0.6
101.02313	0.4
101.05947	0.3
107.04916	2.3
109.02819	0.3
109.06480	1.5
111.04400	0.9
113.02336	2.0
113.05986	0.3
119.33505	0.2
121.06490	0.3
123.08066	0.4
125.02302	0.3
125.09686	0.2
134.03622	0.7
135.04407	1.4
135.08005	0.5
136.05200	0.3
137.09656	1.0
138.06775	0.3
149.09627	0.7
152.08345	1.4
153.09103	1.6
155.13525	0.2
161.02423	0.3
163.11200	0.4
165.09082	0.3
173.04449	2.0
173.09450	0.2
175.11208	0.3
177.12775	0.3
179.03423	0.7
185.00946	0.2
189.12798	0.3
190.09991	0.3
191.05559	1.1
191.14323	2.3
193.05032	0.6
203.14522	0.3
205.12302	1.9
205.15945	1.1
207.17480	0.4
215.14310	0.4
216.87250	0.2
217.15930	1.0
233.15381	0.5
235.17021	2.7
236.17300	0.4
241.15988	0.4
243.17529	0.4
245.19110	0.4
247.20676	0.5
251.16634	0.4
253.16029	0.4
257.19095	0.9
259.17078	0.2
259.20660	0.5
269.19147	1.4
273.18515	0.3
275.20123	2.5
287.20160	6.9
288.20483	0.6
291.19681	0.3
293.21146	0.4
331.19122	1.0
333.17120	0.8
349.20203	2.7
350.20593	0.4
367.21234	100.0
368.21561	10.9
368.26236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03316	5.0
59.01235	3.9
66.05981	1.1
67.01755	3.9
67.73876	1.3
70.90829	3.2
71.01251	5.6
73.02812	1.8
79.31359	1.1
83.01268	4.3
84.02063	1.4
85.02823	47.6
87.00749	1.7
92.34892	1.0
93.03340	20.3
101.02327	2.6
104.87433	1.2
105.03360	2.9
107.04926	2.3
109.02849	1.8
111.00755	14.8
111.04382	5.4
119.04901	2.8
120.66891	1.1
122.03639	1.5
123.04421	23.8
127.03857	2.0
129.01840	17.4
133.02844	12.4
137.02364	5.6
143.03395	1.3
147.02837	1.4
150.03081	2.0
151.02707	1.5
151.03914	29.6
152.04224	1.3
155.03412	3.2
163.03915	2.8
173.04474	100.0
174.04767	4.7
177.01852	15.7
187.02431	1.8
189.03969	1.0
191.05539	55.6
192.05856	1.7
194.02174	1.2
195.01213	1.8
195.02930	34.6
205.03465	16.8
214.45564	1.2
223.04539	66.2
224.04874	3.1
273.76889	1.2
289.55716	1.1
369.08170	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01753	3.4
69.03326	2.7
69.75561	12.5
70.54575	2.4
81.03342	2.7
82.93646	2.3
83.54145	2.7
85.02821	8.5
87.00745	3.0
93.03339	36.4
95.04881	3.1
98.19839	2.6
104.94452	2.2
105.03320	3.3
107.04890	6.3
111.04395	6.7
123.04408	31.5
133.02826	19.4
137.02306	3.6
151.03914	46.3
152.65511	2.1
155.03409	2.7
173.04477	100.0
174.04814	5.6
177.01825	19.2
191.05534	63.4
192.05963	2.7
195.02925	42.2
196.03369	2.4
369.08240	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58067	0.8
55.01754	3.9
57.03324	15.4
57.72911	1.1
59.01259	5.4
67.01753	1.2
68.13900	0.9
68.99677	1.1
69.23951	2.7
69.24371	6.8
71.01250	8.0
72.99185	2.5
73.02843	1.3
73.92964	0.9
75.00751	3.4
83.01270	8.5
84.02038	1.6
85.02824	85.1
86.03169	1.7
87.00762	2.7
92.59596	0.9
93.03346	2.2
99.00761	1.3
101.02316	7.1
109.02821	1.0
111.00770	29.0
112.01140	1.1
119.04924	7.5
123.04388	1.0
129.01836	27.9
129.03339	2.3
135.04474	1.0
143.03436	1.0
145.02863	1.3
147.02907	2.9
147.04408	9.7
149.04422	1.1
151.03966	2.0
159.02864	1.0
161.04471	3.3
162.68260	1.0
163.03899	4.2
165.04134	1.4
165.05492	22.9
173.04497	6.1
187.02455	1.9
191.05496	1.3
195.02933	1.6
205.03471	27.8
206.03839	1.5
223.04539	100.0
224.04877	4.3
237.05966	1.4
263.94083	0.9
298.46307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69399	0.9
55.01741	2.9
57.03325	14.0
59.01252	18.0
67.01756	1.2
68.99688	1.0
69.03312	2.1
71.01256	9.4
72.99186	2.4
73.02820	4.0
74.03127	0.8
75.00749	1.3
83.01252	3.2
84.02038	2.4
85.02825	100.0
86.03165	2.3
87.00735	1.8
89.02316	1.9
93.03333	2.5
96.95891	32.6
96.96517	1.6
99.00748	1.4
101.02309	3.2
103.00252	2.4
109.02808	1.2
111.00783	1.4
113.02329	5.3
115.57769	0.9
115.73296	1.0
119.04869	1.3
121.02866	6.1
123.04389	1.6
129.01849	7.1
134.03558	1.2
137.02345	0.9
141.84372	0.9
145.94351	0.8
147.02892	10.4
149.02365	2.5
151.00200	1.1
157.12245	5.0
161.04529	1.1
161.18520	0.8
163.33163	1.0
165.09140	8.0
173.04488	2.4
177.05510	2.1
178.99763	0.8
179.03416	0.9
185.11746	5.0
191.01926	16.9
191.05557	1.8
195.13841	0.9
201.11139	0.9
203.12849	18.7
204.13141	0.9
221.08458	3.4
225.15059	1.3
237.07974	11.0
239.11093	1.1
245.13866	5.0
265.07550	13.3
266.07895	1.1
271.05975	1.4
278.35202	0.8
283.08545	6.2
289.07242	4.7
309.13437	9.9
325.09619	15.7
326.10165	1.3
327.14474	6.7
328.14755	1.2
351.07635	1.0
369.18823	1.7
369.22787	4.0
370.05951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82260	1.8
55.01756	6.3
55.85991	1.7
57.03322	22.2
59.01250	6.1
60.45799	1.8
60.99129	2.3
67.01773	5.2
69.62657	3.9
69.63064	7.3
70.54707	1.6
71.01263	9.9
71.54372	1.8
72.34557	1.6
72.99191	1.9
75.00748	3.8
80.45387	2.0
81.03304	2.9
83.01253	12.7
84.02031	2.8
85.02824	100.0
86.03160	2.3
87.00751	4.1
93.03336	16.4
101.02303	4.8
105.03354	4.6
109.02850	8.2
111.00768	29.7
111.04371	5.0
119.04937	9.4
123.04401	14.6
129.01831	31.9
133.02847	18.9
134.20595	1.7
151.03894	17.2
161.04405	2.5
162.68752	1.8
163.03899	7.5
173.04472	46.0
177.01843	5.4
178.83626	1.8
186.19781	1.8
191.05554	37.1
192.05750	2.6
195.02936	14.7
205.03476	28.0
210.96909	1.8
223.04546	55.4
224.04697	2.5
328.65222	2.0
369.08243	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99889	1.4
54.15544	1.4
57.03316	5.1
58.00458	1.6
59.01242	3.7
67.01752	4.4
69.23071	12.8
71.01256	3.5
73.02799	2.2
83.01286	1.4
85.02821	27.1
87.00745	8.0
90.43908	1.4
93.03335	30.8
99.00783	1.5
99.16165	1.6
101.02292	2.0
101.42243	1.5
104.24577	1.7
107.04910	3.0
109.02837	2.2
111.00761	6.2
111.04412	7.0
122.03664	2.8
122.56683	1.5
123.04419	41.7
127.03905	2.8
129.01804	5.4
133.02844	12.1
137.02368	3.1
140.88438	1.7
151.03900	18.4
166.48161	1.5
173.04462	47.2
174.04749	2.7
177.01830	13.8
191.05539	100.0
192.05878	5.0
195.02904	23.0
205.03441	4.9
210.54198	1.5
215.05583	3.5
216.19612	1.4
223.04541	14.7
295.00186	1.6
316.18588	1.4
369.08206	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.2
55.33584	0.6
57.03326	12.1
59.01255	8.4
69.03331	33.0
71.01252	5.4
71.04903	0.9
71.40238	1.4
72.99176	2.3
73.02818	1.0
75.00746	1.3
83.01257	2.6
84.02041	2.7
85.02827	100.0
86.03168	1.7
87.00758	1.3
87.04351	0.7
89.02336	0.9
93.03335	2.1
95.01265	1.3
96.95911	0.9
97.02823	5.4
97.06493	1.0
99.00764	9.1
101.02343	1.7
103.00243	1.8
111.00774	1.2
113.02321	1.9
119.04918	2.2
123.04386	1.0
125.05926	0.6
129.01833	7.0
130.03510	0.8
133.02861	1.4
141.01822	2.5
147.02911	9.4
149.02400	0.7
173.04474	3.5
177.05533	2.4
183.10323	0.8
185.00848	13.9
191.01904	18.1
191.05603	2.3
223.04439	1.0
250.19252	0.7
289.07339	0.9
313.01913	0.8
318.19360	0.8
339.27896	0.8
369.12332	3.0
369.22775	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71332	0.5
55.01760	2.6
57.03324	15.3
58.00463	1.1
59.00953	1.0
59.01252	19.4
65.87194	0.6
68.99698	0.9
69.03341	2.7
71.01256	14.3
71.04884	0.6
71.53400	0.5
72.01559	0.6
72.99193	2.8
73.02813	3.8
75.00739	0.6
79.95599	1.1
83.01258	2.6
83.04929	0.9
83.82005	0.4
84.02041	3.0
85.02825	100.0
86.03170	2.8
87.00746	2.0
89.02322	4.0
93.03358	1.5
95.01247	3.1
96.95892	39.0
97.02799	1.3
99.00761	2.4
101.02325	3.6
103.00275	1.2
111.00761	2.0
113.02325	9.7
114.02662	0.6
119.03400	1.1
119.04927	2.1
121.02862	7.0
123.04400	2.0
123.08035	0.8
125.02341	0.7
127.11222	1.0
129.01833	6.2
134.03683	0.7
135.04408	0.7
137.02400	0.6
139.00337	0.6
139.11279	0.6
147.02890	10.0
149.02370	2.9
151.00339	0.7
155.10725	0.7
157.12238	5.6
161.02258	0.7
161.04529	0.8
164.04637	0.6
165.01860	1.1
165.05476	1.0
165.09103	6.6
173.04497	2.5
177.05492	1.9
179.03389	0.6
185.00781	0.6
185.11775	8.0
185.31491	0.6
191.01907	17.8
191.05493	2.7
192.02277	0.9
193.04976	0.8
195.13866	1.5
203.12827	23.2
204.13228	1.0
206.12605	1.2
221.08496	3.5
225.14934	2.4
227.07213	1.1
227.12808	0.9
237.07999	14.9
238.08261	0.8
239.11224	0.8
245.13922	4.8
247.06529	0.7
265.07510	15.7
271.06131	1.9
283.08572	6.9
289.07175	3.4
309.13434	7.2
310.13980	0.8
325.09631	18.8
326.10074	1.5
327.14545	4.8
351.07608	1.3
361.40137	0.6
369.02875	1.5
369.08414	1.0
369.18692	3.3
369.23184	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	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.6
57.03315	0.6
59.01253	2.7
66.61936	0.4
67.01765	1.1
69.03328	100.0
69.31271	2.1
69.31690	1.1
70.03648	2.1
71.01259	2.3
72.99178	1.6
73.02808	0.5
79.01759	1.8
83.01247	0.4
85.02828	5.9
89.02316	0.4
93.03369	0.8
95.01273	2.1
97.02832	20.6
98.19707	0.5
99.00758	24.9
99.04423	0.5
100.01092	0.5
101.02294	0.6
109.02850	0.7
111.00780	0.5
113.02332	1.1
123.00788	1.2
123.04406	0.6
125.02361	0.5
129.01845	0.5
135.04424	0.7
141.01833	8.9
142.35931	0.4
147.02911	0.6
161.04449	0.5
173.04471	1.3
179.03430	0.4
183.10213	1.5
185.00845	53.7
186.01152	1.7
191.01878	1.1
191.05562	1.4
203.01999	0.4
234.23450	0.6
354.11292	0.5
358.62155	0.4
369.11896	12.2
369.22818	2.2
370.12024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1342
Annotation	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
55.01752	0.7
57.03311	2.8
59.01258	4.6
69.03317	3.9
69.62778	0.8
71.01244	3.0
71.04882	1.7
73.02820	2.4
81.03323	1.7
83.01255	9.7
83.04890	1.7
85.02821	3.5
87.04395	1.3
89.02299	0.7
93.03315	3.8
95.01260	1.8
95.04886	3.9
97.02830	13.4
97.06471	2.4
107.04945	1.7
108.02090	3.4
109.02836	44.7
109.06474	4.6
110.03184	0.8
111.08005	0.9
117.03315	1.0
119.04803	1.0
119.08560	1.9
121.02845	7.2
121.06454	4.2
122.03643	4.5
123.00732	1.4
123.04408	34.6
123.08025	0.9
124.01556	1.6
124.04774	1.2
125.02361	3.5
127.07520	0.7
127.11174	0.9
133.02876	1.4
135.04405	5.6
135.08035	0.8
137.02318	2.7
137.09616	3.7
138.06764	7.6
139.03922	5.4
139.11201	4.5
141.09093	1.6
145.02873	3.6
146.03618	5.7
147.04395	2.1
149.02354	14.7
149.05956	1.0
149.09651	3.7
150.03120	1.7
151.03922	13.0
154.02600	1.6
155.10666	1.0
157.06564	0.9
159.04434	6.0
159.08134	1.0
160.05237	1.5
161.02367	7.4
161.05977	10.1
161.09628	3.1
162.03125	5.2
163.03888	5.1
163.07568	3.6
163.11182	2.4
163.24196	0.7
165.01868	0.9
165.05482	1.6
165.09105	0.9
167.10692	5.4
172.05212	1.0
173.05994	1.6
173.09573	0.7
174.03265	0.9
175.03934	3.0
175.07570	1.5
175.11223	2.9
176.01105	1.2
176.04565	0.7
177.01833	0.9
177.05498	3.6
177.09134	2.4
177.69408	0.7
178.05885	0.8
179.10681	1.0
185.06071	1.3
187.03940	4.8
188.04723	4.1
189.05449	4.0
189.09128	1.1
190.02603	1.6
200.04745	0.9
201.05501	2.1
202.06268	1.0
203.03418	2.4
203.07076	10.6
204.07536	0.9
205.03091	1.2
205.05006	24.2
205.08606	13.1
206.05367	1.3
207.10165	9.8
211.07735	1.1
213.05499	2.0
216.04204	0.7
217.08658	9.1
218.09077	1.3
219.10201	4.7
229.04993	1.3
231.02975	4.0
231.06502	1.5
231.17566	0.7
239.10999	1.8
244.07468	1.5
245.08208	5.3
246.08917	3.2
246.85710	0.7
247.06075	10.5
247.09753	2.4
248.06055	0.8
249.18578	20.4
250.18884	2.0
255.06625	1.5
259.09729	5.6
265.18054	1.0
281.11801	0.9
282.12592	0.9
283.13461	4.1
293.17462	0.9
301.14371	2.9
307.13269	1.3
307.23001	1.2
311.18597	11.8
312.18878	0.9
325.14456	19.3
325.23660	4.1
326.14746	1.7
369.13416	100.0
369.22769	20.3
370.13748	11.5
370.22934	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01241	0.6
63.60448	0.4
63.63151	0.4
69.03324	1.6
69.81193	3.0
74.60285	0.5
81.03319	1.1
83.01254	4.9
85.02831	1.1
93.03319	1.7
93.06981	1.1
95.01255	1.1
95.04897	2.1
97.02831	7.5
108.02068	2.6
109.02837	36.8
110.03168	1.2
117.03338	1.0
119.04909	0.6
119.08526	1.0
121.02837	3.7
121.06496	3.1
122.03612	2.7
123.00799	0.8
123.04414	25.4
124.01465	0.7
124.04706	0.7
125.02315	2.3
131.04921	1.2
133.02861	1.1
134.03679	0.5
135.04417	2.8
137.02324	1.9
137.09586	1.0
138.03113	0.9
139.03918	3.7
139.11157	1.0
143.04907	0.7
145.02826	1.7
146.03625	2.8
147.04391	0.7
149.02348	8.4
150.03075	1.6
151.03906	12.0
154.02612	0.6
158.03600	0.6
159.04417	3.8
160.05142	0.8
161.02365	5.4
161.05983	7.8
161.09619	4.2
162.03168	2.7
163.03937	2.7
163.07616	3.3
163.11208	1.1
165.05394	0.8
165.09274	0.6
173.05948	1.1
173.09683	0.7
174.03156	0.9
175.03873	2.6
175.07501	1.3
175.11211	1.6
176.01041	1.6
177.01888	0.9
177.05508	2.3
177.09126	1.5
185.06036	1.2
186.06827	0.5
187.03923	3.0
188.04637	2.5
189.01945	0.8
189.05515	3.8
189.09157	0.5
190.02644	0.7
191.03459	0.5
201.05635	0.8
201.09174	1.0
203.03441	2.2
203.07083	7.6
203.10681	0.6
204.07468	0.8
205.05009	14.4
205.08624	10.3
206.05235	0.7
206.08986	0.6
207.10193	8.7
208.10573	0.7
213.05542	1.7
215.10687	1.0
217.05170	0.5
217.08636	7.4
219.10239	2.7
229.04997	0.7
230.05580	0.8
231.02943	2.0
231.06573	1.6
231.10246	0.5
244.07367	1.2
245.08139	4.7
246.09001	2.8
247.06079	6.5
247.09679	2.3
255.06549	0.8
259.09747	4.7
271.19220	0.5
282.12585	0.7
283.13293	2.6
301.14545	2.1
307.13535	1.0
307.23059	0.6
325.08624	0.7
325.14465	13.3
326.14789	1.4
351.12402	0.9
369.13409	100.0
370.13779	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.0
59.01251	5.5
59.65795	1.0
60.43279	1.1
61.98693	1.2
64.58945	1.0
69.03311	3.0
71.01249	2.2
71.18195	2.5
73.66717	1.1
81.03361	1.1
83.01255	8.6
85.02840	3.4
93.03333	4.0
95.04907	2.0
97.02820	10.0
97.09469	1.1
101.02335	1.8
108.02040	3.3
109.02837	39.7
119.08617	1.4
121.02837	4.6
121.06467	3.9
122.03634	2.9
123.04420	26.7
124.01561	1.5
125.02353	2.9
133.02887	2.2
135.04419	4.9
137.02283	2.7
137.09560	1.5
139.03883	6.2
139.11185	1.4
145.02946	2.7
146.03613	4.1
149.02341	9.5
150.03065	2.3
151.03906	12.9
159.04405	4.9
161.02376	6.4
161.05969	8.9
161.09616	4.4
162.03110	3.1
162.06421	1.1
163.03876	4.6
163.07494	3.5
173.05850	1.3
174.03206	1.1
175.03941	1.8
175.11218	1.4
176.01126	1.6
177.05492	2.2
177.09084	1.3
185.06004	1.4
187.03937	5.1
188.04669	2.6
189.01910	1.4
189.05452	4.0
190.02641	1.4
191.58290	1.4
201.05406	1.3
201.09071	1.2
203.03397	4.4
203.07083	7.4
205.05005	14.7
205.08601	10.8
207.10194	11.3
217.08679	7.2
219.10197	4.1
231.02960	2.7
231.06596	1.3
245.08182	3.9
246.08768	1.9
247.06123	9.1
247.09691	1.9
259.09760	4.8
281.11725	1.4
283.13287	2.6
301.14441	2.5
307.65674	1.2
325.14429	14.5
326.14771	2.4
362.24155	1.1
369.13412	100.0
370.13693	11.2
376.48819	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01244	3.3
61.98703	1.5
69.03323	1.9
71.01250	1.3
71.19290	1.4
81.03335	1.5
83.01257	8.1
85.02817	2.5
93.03340	3.5
93.06998	0.8
95.01275	1.2
95.04904	2.2
96.82447	0.8
97.02822	9.4
101.02344	1.0
108.02062	2.1
109.02837	38.5
110.03201	0.9
117.03358	0.9
119.04932	0.8
121.02848	6.2
121.06481	3.6
122.03616	3.3
123.04408	30.0
123.08093	1.3
124.01581	1.8
124.04755	0.9
125.02326	3.8
133.02847	1.3
133.92340	0.8
135.04411	4.8
137.02356	1.9
139.03876	4.6
139.11182	1.4
145.02861	2.6
146.03639	3.3
147.04419	2.2
149.02339	8.1
150.03108	2.1
151.03920	12.9
154.02663	1.1
159.04385	4.6
160.05241	1.3
161.02361	7.0
161.05963	7.0
161.09619	3.5
162.03123	3.9
163.03920	3.8
163.07516	3.6
173.05978	1.3
173.09561	1.0
175.03902	2.7
175.07527	1.3
175.11256	1.3
176.01035	1.8
177.05519	2.3
177.09138	1.6
185.05913	1.7
187.03888	2.3
188.04692	3.0
189.01917	1.8
189.05576	3.6
189.09059	1.0
190.02600	1.3
190.05838	0.9
198.94305	1.1
201.01671	0.8
201.05531	1.1
202.06262	1.0
203.03500	2.5
203.07097	9.1
205.05009	14.2
205.08643	10.6
206.05322	1.0
206.08862	0.8
207.10236	8.7
213.05533	1.2
215.10768	1.1
216.04185	0.8
217.08638	8.8
218.09351	1.0
219.10257	2.5
227.07051	0.8
229.05121	1.5
230.05740	0.9
231.02954	2.4
231.10217	1.4
244.07370	1.3
245.08127	4.3
246.08928	2.9
247.06081	8.6
247.09705	2.7
253.12367	0.9
259.09769	4.6
281.11676	0.8
283.13455	2.8
301.14365	2.3
325.14444	12.8
325.23804	1.0
325.27316	1.1
326.14813	1.4
369.13428	100.0
369.26328	6.3
370.09476	1.5
370.13760	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	369.2278
Annotation	Prostaglandin G1
Peak:m/z	Relative Intensity
50.13508	1.5
57.03324	19.1
59.01248	10.5
69.03324	3.3
69.47991	3.9
69.48403	5.9
71.01251	3.1
71.04886	4.6
73.02805	2.7
80.48026	1.2
83.01276	1.8
83.04903	2.5
85.02824	26.3
87.00743	1.9
87.04382	7.0
93.03309	1.7
94.23399	1.3
94.67426	1.2
97.02825	2.4
97.06465	19.2
98.06761	1.2
99.08056	2.0
101.05939	5.8
102.98472	3.8
107.04913	1.3
109.02834	4.1
109.06492	10.9
111.08068	7.5
113.09604	8.3
115.07528	1.5
120.99530	1.5
121.02834	1.8
123.08048	20.8
125.05969	3.8
125.09560	2.4
127.07487	1.8
127.11214	2.0
135.04333	1.5
137.09654	8.0
138.06805	7.4
139.11194	10.0
141.09103	4.8
144.31683	1.3
144.70033	1.5
149.09584	5.0
151.11183	3.5
152.08331	10.3
153.12735	1.7
155.10672	6.9
163.11188	3.0
164.44696	1.3
165.09062	1.8
167.10687	17.0
168.11432	3.8
169.12233	4.1
173.04395	1.4
181.12245	4.9
183.13786	1.3
191.05550	2.0
196.10890	4.1
211.00749	1.7
214.12036	4.0
219.17497	7.3
221.19038	3.4
237.18564	4.4
243.16150	1.9
247.20529	1.7
249.18558	16.4
263.20258	9.6
277.22119	1.4
281.21112	2.2
289.21732	22.2
290.22067	2.6
307.22778	10.0
311.18637	6.0
325.23834	36.1
326.24176	3.1
339.21832	5.0
339.99518	1.3
351.22113	2.0
369.22800	100.0
370.13022	2.4
370.23096	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	369.228
Annotation	Prostaglandin G1
Peak:m/z	Relative Intensity
57.03100	1.5
57.03323	18.0
59.01238	8.4
64.94026	1.6
69.03326	2.6
69.31195	1.4
69.65445	8.9
71.01246	3.1
71.04882	5.0
72.02905	1.6
74.00459	1.6
76.42217	1.5
81.03318	1.9
83.04870	3.5
85.02821	25.1
86.03599	2.0
87.04384	7.2
91.25364	1.5
91.67654	1.5
95.04885	2.4
97.06469	21.7
98.20443	3.0
99.08027	3.7
101.05956	6.3
109.02848	2.8
109.06460	9.6
111.08046	4.7
113.09630	8.6
121.06490	1.5
122.76774	1.5
123.04496	2.0
123.08038	25.8
124.08422	1.9
125.05940	3.0
125.09668	1.9
127.07518	6.9
137.09601	7.1
137.62285	1.5
137.64706	1.7
138.06786	3.9
139.11177	10.8
141.09088	2.7
144.07736	1.5
149.02393	1.9
149.09630	3.5
151.11237	2.2
152.08339	11.1
155.10658	6.5
167.10681	15.5
168.11383	4.0
169.12199	4.7
173.04524	1.5
181.12262	3.1
183.10181	1.7
183.13940	1.8
193.15906	2.4
196.10991	5.6
214.12036	7.9
219.17503	6.7
237.18579	5.3
247.20592	2.1
249.18575	9.6
261.18546	1.8
263.20178	12.7
267.19824	3.1
289.21729	23.7
290.22137	2.7
307.22791	12.8
325.23831	29.3
326.24182	3.4
331.54437	1.7
369.09045	4.3
369.13153	3.8
369.22794	100.0
370.23203	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	369.2281
Annotation	Prostaglandin G1
Peak:m/z	Relative Intensity
55.01746	0.7
55.13884	0.6
55.62683	0.6
56.62087	0.6
57.03055	1.0
57.03326	18.1
59.01253	5.3
69.03335	1.1
69.63509	0.6
71.01243	1.8
71.04918	4.2
71.05235	1.0
71.21307	0.7
73.02811	1.9
73.57904	0.6
81.03320	1.3
83.04902	2.0
85.02824	25.9
86.03127	1.3
86.03593	1.6
87.04396	7.6
91.05388	0.7
93.03338	0.8
94.33959	0.7
95.04900	2.4
96.12233	0.6
96.95799	0.7
97.06474	20.6
98.03636	0.9
98.20594	1.4
99.04430	1.5
99.08038	3.2
101.05961	7.3
107.04904	1.0
109.02817	0.7
109.05787	1.2
109.06474	9.7
111.04408	0.7
111.08039	9.1
113.09615	7.7
115.07552	0.7
116.79179	0.6
123.08057	22.7
124.08389	1.2
125.05980	3.8
125.09634	2.4
127.07589	1.5
137.09625	5.4
138.06775	5.2
139.11186	8.3
141.09085	3.3
149.09636	3.9
151.11212	1.8
152.08345	13.3
153.09122	3.8
153.12727	2.1
155.10701	7.5
157.12238	0.8
163.11205	1.4
167.10696	18.3
168.11493	4.7
169.12163	1.4
173.04578	0.7
178.09897	0.7
181.12234	3.3
183.13719	1.0
193.08604	0.7
193.15935	2.5
196.10997	4.6
197.11520	0.7
209.15498	0.9
213.11288	2.2
214.12045	5.6
219.17520	6.8
221.19083	3.0
237.18561	5.3
247.16980	1.1
247.20634	1.6
249.18575	11.2
250.19072	1.1
261.18741	1.0
261.22171	0.7
263.16434	1.0
263.20169	12.7
264.20468	1.6
289.21741	23.1
290.22061	2.7
307.22824	12.2
308.23163	0.9
325.23834	28.8
326.24237	3.8
327.17816	0.8
351.21457	1.0
369.22821	100.0
370.23102	15.2
383.26004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.228
Annotation	20-hydroxytrioxilin A3
Peak:m/z	Relative Intensity
53.00630	0.8
57.03324	17.5
59.01257	7.2
64.21983	0.9
66.22952	0.9
69.03330	1.7
69.19833	9.4
71.01237	2.2
71.04896	3.7
72.02033	1.0
73.02807	2.0
81.03334	1.1
83.04906	1.2
85.02826	19.1
87.04393	4.0
92.66335	0.9
93.03361	1.0
95.04900	2.1
97.06467	13.2
99.04388	1.1
99.07999	1.1
101.05974	5.3
109.02824	1.4
109.06470	8.1
111.08059	6.2
113.09595	7.0
113.99917	0.9
123.04398	1.2
123.08051	19.4
125.02367	1.3
125.05962	2.7
125.09634	3.4
127.07479	1.3
127.11205	4.8
135.04414	0.8
135.08060	1.5
137.02333	1.2
137.09618	10.1
138.06737	2.8
139.07497	1.1
139.11198	7.0
141.12753	2.0
149.09642	4.9
151.11192	2.2
152.08302	8.0
153.09172	1.0
153.12791	1.5
155.10683	7.6
163.11215	1.7
165.09123	1.3
167.10706	13.0
168.11368	2.8
169.12256	7.4
173.04520	1.4
181.12297	5.1
183.13890	2.4
191.05569	1.3
193.15880	1.7
196.10999	3.1
207.13947	1.1
209.15315	0.9
213.14880	3.5
214.12006	5.1
216.45566	1.1
219.17493	5.5
221.19157	1.7
231.17546	1.0
233.19154	1.3
237.18610	3.8
243.16006	2.8
247.16978	1.1
247.20743	1.4
249.18633	7.5
261.18546	1.3
263.20154	11.5
264.20328	1.6
267.89410	1.0
277.21713	1.1
281.21268	3.3
289.21735	16.2
290.21973	1.2
295.22614	2.1
307.22815	8.8
308.23141	1.2
325.23834	48.4
326.24121	5.9
339.21609	6.4
369.13461	3.0
369.22806	100.0
370.13440	2.1
370.23129	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	369.2282
Annotation	Prostaglandin G1
Peak:m/z	Relative Intensity
51.49574	0.9
57.03332	9.9
58.00465	2.3
59.00998	0.8
59.01261	6.5
62.42567	0.8
65.28963	0.8
69.03331	3.2
71.01249	3.9
71.04896	7.4
71.09619	1.2
71.09930	0.9
72.99181	0.8
73.02820	3.0
81.03332	1.2
83.04890	2.8
85.02822	21.7
85.06469	1.6
87.04398	5.4
91.05386	1.0
93.03349	1.5
95.04916	4.0
96.95870	1.3
97.02842	2.2
97.06465	19.2
98.03632	1.0
98.19859	1.1
99.04404	2.4
99.08009	2.1
101.02348	1.2
101.05975	4.9
107.04867	1.5
109.02833	3.4
109.06478	25.6
109.07190	1.9
110.06824	1.2
111.04426	1.1
111.08054	2.7
113.09647	4.2
121.02861	1.0
121.06532	1.0
121.10109	1.2
122.03640	1.3
123.04400	4.0
123.08060	13.3
124.08381	1.1
125.05984	6.3
125.09614	1.7
127.07532	4.1
127.11181	3.2
129.62929	0.8
133.02853	1.2
135.04434	1.1
135.08047	2.0
136.05202	1.0
137.05928	2.7
137.09613	15.8
138.06760	45.9
138.09889	0.9
139.07118	1.3
139.11185	23.7
139.68340	0.9
141.09129	8.2
143.07225	1.0
149.09631	17.1
151.11165	2.6
152.08310	4.3
153.09076	1.8
155.10713	6.1
157.12166	1.2
163.07582	1.5
163.11217	1.4
167.10680	32.5
168.11345	3.1
169.08524	0.9
169.12192	1.2
179.10674	2.0
181.12283	2.5
183.13832	2.2
191.01994	1.1
193.15845	1.1
205.05049	1.8
207.13841	2.7
207.17448	1.1
209.15352	1.2
214.12036	2.9
219.17442	9.4
221.19038	2.0
231.17514	3.5
237.18520	5.0
247.06209	1.4
247.17113	1.6
249.18567	80.2
250.18927	7.3
263.16519	1.5
263.20139	5.8
281.17587	1.1
289.21686	11.2
290.22031	1.8
293.17532	6.0
307.22745	8.4
311.18631	53.3
312.19025	6.6
325.23785	16.5
326.24063	2.0
327.18121	1.0
333.20889	0.9
351.21762	2.9
369.13467	6.9
369.22812	100.0
370.13660	1.7
370.23209	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	371.0773
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.51878	0.4
59.01249	11.7
61.50655	0.4
64.14909	0.4
69.36707	1.3
69.37133	2.4
70.06641	0.4
71.01222	0.5
72.96404	0.4
93.03321	0.7
107.79870	0.4
119.04920	1.2
121.02846	100.0
122.03178	5.0
128.31750	0.4
135.04417	0.6
149.02321	1.0
151.03888	0.6
162.00937	0.4
163.03873	0.7
179.03410	9.9
180.03719	0.7
181.06447	0.6
191.05531	0.6
225.05624	0.6
283.06262	0.5
371.07693	12.6
372.08093	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Randioside
Peak:m/z	Relative Intensity
55.63761	0.1
57.03320	0.7
59.01253	1.3
59.46043	0.1
65.00200	0.5
67.01742	0.2
68.99699	0.1
69.03323	0.2
69.23124	1.3
71.01253	0.7
73.47211	0.1
80.02547	0.2
81.03331	5.4
83.01250	3.0
83.04901	0.2
85.02809	0.5
89.28716	0.2
91.58870	0.1
93.03326	0.6
94.15138	0.1
95.01278	0.3
95.04884	1.0
97.02829	0.7
99.04391	0.4
107.01237	0.3
108.02039	0.2
109.02837	0.4
111.04360	0.1
121.02834	0.6
122.03543	0.2
123.04408	37.1
124.04751	1.7
125.02335	4.4
131.01295	0.5
135.00795	0.3
135.04413	0.6
137.02327	1.1
139.03902	0.6
145.40167	0.2
149.02313	1.2
151.00281	1.4
151.03909	1.3
163.03920	1.4
165.01759	0.3
165.05475	0.2
166.02649	0.5
167.03410	100.0
168.03746	4.8
175.00291	1.3
179.03398	0.9
180.04213	0.4
181.05000	3.3
182.05336	0.2
191.03423	22.4
192.03757	1.1
193.04984	0.2
204.33327	0.1
209.04497	11.1
210.04779	0.6
221.04504	2.6
222.04913	0.2
233.04553	0.4
293.06796	0.2
311.07428	0.2
353.08789	0.3
371.09799	3.7
371.21561	0.2
372.10239	0.4
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
55.19472	0.9
57.03312	2.2
59.01237	5.4
60.99158	1.1
67.01753	3.4
67.78857	1.0
68.96983	1.0
69.03339	1.3
70.38759	1.8
70.39154	1.9
71.01254	4.4
72.99168	4.4
85.02824	12.6
87.00743	3.7
93.03333	19.9
97.12307	0.9
99.04411	1.2
109.02829	3.4
111.04411	4.9
119.87358	0.9
123.04436	5.3
127.03918	1.4
127.77925	0.9
134.03600	1.8
135.04408	100.0
136.04759	4.9
137.02335	4.1
138.34489	0.9
153.05475	4.0
155.03394	3.6
161.02351	1.3
167.03403	3.5
172.20457	1.2
173.04463	92.0
174.04774	2.6
179.03427	11.1
191.01907	3.5
191.05527	88.2
192.05833	3.8
197.04486	18.4
209.02979	16.8
209.06168	1.0
246.69852	1.0
341.08929	5.2
342.62460	1.0
353.08777	8.5
371.09805	35.6
371.14273	2.1
372.09918	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41505	0.9
57.03333	1.2
59.01250	7.0
59.75356	0.9
60.99176	1.1
67.01756	4.7
69.03326	1.7
70.08601	3.0
71.01250	4.1
72.99186	13.4
83.04919	1.2
85.02824	7.4
87.00760	1.6
93.03333	33.1
107.04995	0.9
109.02833	3.1
111.00755	1.0
111.04390	7.4
123.04411	8.1
127.03922	2.0
134.03650	1.1
135.04419	67.4
136.04771	3.8
137.02336	4.0
148.88618	0.8
153.05460	2.6
155.03365	5.2
155.84132	0.8
173.04471	100.0
173.38477	0.9
174.04810	3.8
178.99757	0.8
179.03416	13.6
191.05547	47.9
192.05840	1.6
197.04483	22.9
198.04822	1.0
209.03032	0.9
244.08847	0.9
246.30229	0.9
247.60982	0.9
269.34769	0.9
341.08868	3.0
353.08673	3.0
371.09845	15.8
372.10132	1.2
378.99600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.9
59.01252	2.2
60.99165	0.7
65.03802	0.2
67.01760	3.8
69.03320	0.6
70.48505	0.2
70.48843	0.4
71.01253	2.5
72.99174	5.6
73.02819	0.4
81.03337	1.1
83.04896	1.0
85.02821	6.6
86.97048	0.2
87.00751	3.5
88.05323	0.2
89.02295	0.3
91.05415	0.3
93.03333	24.0
94.03683	0.6
95.01254	0.3
97.02889	0.2
99.00739	0.3
99.04381	0.3
107.04904	0.7
108.02090	0.2
109.02843	2.5
111.00774	0.5
111.04400	5.4
113.02354	0.3
115.03873	0.2
120.66956	0.2
121.02796	0.4
122.03578	0.4
123.04414	5.0
124.04764	0.2
127.03917	1.4
129.01834	0.7
133.02809	0.4
134.03650	1.7
135.04417	100.0
136.04752	4.5
137.02348	4.0
151.03894	0.4
153.05489	2.8
155.03404	3.4
161.02367	1.6
167.03413	1.9
171.02966	0.3
173.04469	63.6
174.04793	2.1
179.03412	8.0
180.03737	0.4
191.05536	58.8
192.05888	2.5
197.04483	11.8
198.04852	0.8
209.02969	1.8
233.06625	0.5
235.06058	0.2
238.94975	0.2
312.31073	0.2
320.62604	0.2
327.13126	0.2
341.08737	2.4
353.08710	3.9
354.08868	0.3
371.09811	14.6
372.10117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23938	1.5
57.03310	4.5
59.01250	20.8
61.65906	1.6
67.01759	2.2
68.99679	3.9
69.03336	1.8
69.46239	13.1
71.01255	20.0
72.99194	4.5
73.02824	3.1
75.00745	22.5
81.03349	2.7
83.01242	3.1
85.02821	19.7
87.00767	9.5
87.01199	1.5
89.02317	5.6
93.03327	2.0
95.01274	5.4
97.02831	2.0
99.00755	11.6
113.02332	24.6
115.00244	2.2
117.01797	4.3
121.02845	100.0
122.03194	5.2
123.04394	9.2
125.02314	1.7
129.01849	1.7
143.18709	1.7
149.02325	3.2
164.04604	2.4
165.04013	2.5
166.04968	2.1
166.85332	1.6
167.03401	26.0
168.03813	2.2
173.04536	2.2
175.02347	3.4
175.60193	1.4
209.11723	2.0
223.06216	2.5
231.05128	7.5
249.06145	76.3
250.06482	3.6
351.16629	1.6
353.08704	2.1
371.09818	54.4
371.17075	3.4
372.10144	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92833	0.4
57.03310	1.0
59.01250	45.9
60.01583	0.6
65.00178	0.6
67.01775	1.0
69.03312	0.8
69.85511	1.9
71.01239	2.5
72.99192	0.6
81.03330	6.1
83.01268	4.2
85.02830	1.8
89.02305	0.9
93.03337	1.6
95.04897	1.5
99.00717	0.6
101.02309	1.6
101.56686	0.5
107.01241	0.9
113.02263	0.5
121.02828	1.1
123.04407	34.3
124.04761	1.5
125.02322	6.6
135.04411	1.7
141.01854	0.5
149.02379	3.1
151.00281	2.1
152.00928	0.5
154.99779	1.0
163.03955	0.8
164.04718	1.3
167.03412	100.0
168.03770	4.8
173.04483	1.6
185.11768	0.5
191.03471	0.9
191.05573	1.2
197.04457	0.9
209.04443	1.0
209.11761	2.6
210.53352	0.4
223.06044	1.7
371.09714	0.9
371.17050	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02266	0.4
53.90083	0.3
55.01764	3.8
57.03309	0.6
59.01247	4.7
67.01747	0.9
68.99734	0.4
69.03326	100.0
70.03661	1.5
71.01252	2.9
72.99180	2.3
73.02818	1.2
79.01752	1.8
85.02813	3.3
87.00745	0.6
91.21818	0.4
93.03336	0.9
95.01259	2.8
95.04917	0.4
97.02829	17.8
99.00755	25.3
100.01082	0.5
101.02305	0.5
109.02840	0.5
110.92863	0.4
111.00765	0.7
113.02333	1.0
113.09615	0.6
115.07558	0.5
123.00773	1.4
123.04388	0.5
124.01561	0.9
125.02393	0.5
129.01843	0.6
135.04402	1.6
137.02328	0.4
141.01833	9.4
148.03955	0.5
151.00291	0.6
152.01057	5.0
155.10666	0.6
161.04510	0.4
163.00345	0.4
165.01833	0.6
167.03381	1.7
173.04480	1.3
178.99780	1.5
179.10898	0.5
185.00842	60.2
185.11757	5.7
186.01135	1.9
190.19836	0.3
191.05544	1.6
193.01285	0.3
208.00084	5.7
209.00645	0.6
258.70352	0.4
285.04001	0.4
297.85681	0.4
299.01956	0.4
314.04227	0.9
371.06192	8.1
371.13437	10.3
371.24295	1.2
372.07104	1.5
372.13589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2439
Annotation	Polyrhacitide B
Peak:m/z	Relative Intensity
50.62275	0.6
56.16708	0.5
57.03323	10.6
59.00956	0.8
59.01247	12.6
61.98693	0.6
65.74664	0.5
69.03326	3.0
70.28177	1.2
70.28544	1.0
71.01250	1.2
71.04886	4.1
73.02814	2.0
82.10738	0.5
83.04891	1.6
85.02818	5.2
85.06460	0.9
87.04386	15.2
93.03337	1.5
97.06461	5.2
99.04409	1.1
99.08034	16.5
101.05950	3.0
101.09621	1.2
109.06499	3.5
111.04395	0.9
111.08045	3.6
113.09624	4.3
114.09869	0.7
119.04935	0.6
123.04449	0.8
123.08053	4.6
125.09609	2.1
127.07523	1.3
129.05438	1.0
129.09113	10.8
135.04379	1.7
135.08037	1.1
137.09647	2.8
138.06755	2.1
139.11183	4.5
141.09074	1.1
141.12726	1.8
143.10687	13.7
144.10936	0.6
151.11201	1.5
152.08316	1.9
153.09131	5.0
153.12711	0.6
155.10687	16.9
156.10995	0.9
157.12204	1.7
167.10689	3.5
168.11398	1.0
169.12263	5.1
173.04478	1.2
178.02531	0.5
181.12280	1.1
183.13805	2.0
185.11736	1.4
187.13330	13.4
188.13635	0.8
192.04199	0.7
199.09685	7.1
201.15056	0.7
209.08195	0.8
215.12785	5.9
216.13649	4.9
221.19127	0.6
233.19008	0.7
239.20131	0.7
245.17531	1.1
247.20587	0.6
248.12708	0.6
249.18604	1.0
251.20059	0.8
263.20053	1.2
265.21701	2.1
269.21246	2.1
275.19998	1.3
283.22824	1.6
289.21695	1.2
307.22641	0.8
309.24335	2.0
311.14941	1.5
325.23712	3.4
327.25378	56.9
328.25766	6.4
329.15979	2.0
353.23404	0.7
371.24365	100.0
372.24728	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44456	0.5
57.03324	13.1
58.39064	0.5
59.01251	6.2
66.78239	0.5
69.03313	2.4
69.19645	4.4
71.01237	1.9
71.04897	3.8
72.02020	1.7
73.02818	2.0
79.05444	0.6
81.06960	0.6
83.04895	1.4
83.90524	0.5
85.02827	5.8
85.06470	1.0
87.03851	1.0
87.04391	19.8
89.02349	0.7
90.50838	0.5
95.04842	0.5
97.06462	6.1
99.04412	1.0
99.08033	15.1
100.08336	0.6
101.05993	2.3
101.09576	0.6
109.06475	3.1
111.08027	5.2
112.67992	0.5
113.02319	0.5
113.09614	4.9
119.34910	0.4
123.08068	5.0
125.02348	0.6
125.06002	0.7
125.09592	3.2
127.07525	0.9
127.11227	1.4
129.09109	8.3
130.42366	0.6
135.04472	0.7
135.08008	1.2
137.09572	3.3
138.06758	1.9
139.07492	0.5
139.11180	5.1
141.05429	1.3
141.09109	1.0
141.12756	2.1
143.10677	15.2
149.09619	0.6
151.11165	1.6
152.08336	1.4
153.09093	4.7
153.12804	0.5
155.10649	3.0
157.12239	2.7
163.11296	0.8
164.15915	0.5
167.10695	5.5
168.11412	1.4
169.08607	0.8
169.12271	3.8
173.04500	0.9
181.12195	1.1
183.13817	2.4
185.11856	0.8
187.13318	12.0
188.13664	1.0
201.14864	1.3
213.14903	0.8
214.11922	0.8
215.12834	5.3
215.16406	1.1
216.13589	6.0
217.14294	1.1
221.19168	0.7
227.16426	0.6
229.18167	0.8
239.20284	0.8
243.15886	0.8
245.17618	2.7
249.18510	1.1
251.20149	0.8
263.20242	1.7
265.21729	1.7
269.21112	0.6
275.20132	2.2
283.22726	1.9
289.21689	0.7
307.22617	0.8
309.24338	2.2
325.23816	2.7
327.25394	64.7
328.25775	7.3
353.23227	0.7
371.24371	100.0
372.24713	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	371.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23418	0.9
57.03322	11.9
58.00466	1.4
59.01262	5.0
68.28969	0.9
69.03337	3.2
71.01254	1.5
71.04893	7.4
73.02823	2.5
81.03338	1.3
83.04909	2.1
85.02824	5.9
85.06447	1.3
87.04388	20.1
97.06462	6.6
98.19766	2.3
99.08035	18.4
101.05962	3.0
109.06457	4.9
111.08070	5.0
113.09607	5.7
123.08025	4.8
125.09579	2.8
125.74776	0.9
126.99220	1.0
127.07555	1.7
127.11165	4.9
129.09108	8.3
130.09468	0.9
135.08116	1.1
137.09607	3.3
138.06761	5.6
139.07558	1.0
139.11220	7.9
141.09111	1.2
141.12770	2.3
143.10672	12.8
149.09619	2.5
151.11159	5.2
153.09103	5.6
153.12766	1.2
155.10678	2.5
157.12265	4.3
167.10678	7.0
169.12282	5.8
171.13762	1.0
181.12267	1.5
183.13850	2.0
187.13309	14.3
188.13669	1.4
193.12508	1.0
199.13272	1.1
201.14900	3.6
214.12097	1.0
215.12753	2.9
215.16373	1.3
216.13615	8.5
217.14401	1.1
219.17459	1.2
237.18471	1.2
239.20230	2.3
245.17493	2.1
246.96611	0.9
249.18611	3.8
251.20145	1.9
263.20175	1.7
265.21695	1.6
269.21216	15.7
270.21564	1.5
275.20251	2.2
283.22803	2.5
289.21771	1.5
309.24194	2.3
313.20230	15.7
325.23950	2.4
327.25397	62.7
328.25787	7.7
329.32437	1.1
353.23334	1.6
371.24365	100.0
372.24734	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76818	0.5
55.01768	0.9
57.03321	2.1
59.01252	100.0
60.01601	0.8
67.01752	0.6
68.99693	0.7
69.03322	1.8
71.01256	5.9
72.99174	0.8
73.02829	4.7
75.00749	0.7
81.03326	0.7
83.01242	4.3
83.01645	0.4
83.04899	0.7
85.02826	3.5
87.00749	14.2
87.04431	0.6
89.02327	3.3
93.03328	5.0
95.04900	0.8
97.02852	1.1
99.00768	1.2
99.04396	1.5
101.02332	5.3
107.04953	0.7
108.02039	0.6
109.02885	1.4
111.00765	5.2
111.04414	0.6
112.06426	0.5
113.02312	2.7
115.03926	1.5
119.03396	1.2
123.00828	0.5
123.04398	0.8
123.07974	0.5
124.01585	0.5
125.02334	5.9
129.01840	3.9
135.04478	1.0
135.08104	1.0
137.02345	12.0
137.03314	0.8
137.09618	4.0
138.03131	1.5
139.03905	0.7
141.05461	0.7
149.02455	0.7
150.03175	1.3
151.03961	1.8
154.99689	0.5
155.10684	19.6
156.11084	1.3
161.04472	1.1
164.40289	0.4
165.01880	2.0
166.02684	0.9
167.03412	4.1
173.04478	12.3
177.01999	0.6
181.08653	2.9
189.09158	0.8
191.05588	0.8
199.09674	8.6
219.30418	0.5
241.10727	2.7
267.04016	0.5
267.12411	0.6
282.06699	0.6
283.13419	3.0
297.08884	2.8
297.11761	0.5
311.09418	0.7
327.12567	1.0
329.11557	2.3
331.17740	1.3
332.75159	0.5
337.10944	0.6
345.13547	0.5
355.11945	1.6
366.19733	0.4
373.12888	9.9
373.22592	0.6
374.13409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.7
57.03321	9.6
58.00478	4.1
59.01252	100.0
62.72982	0.8
69.03324	5.5
70.73154	0.7
71.01254	69.7
71.04897	3.2
71.52631	0.8
71.53004	0.9
72.01601	1.4
72.99183	5.5
73.02823	5.7
81.03329	1.1
83.01257	11.8
83.04907	1.1
85.02821	23.9
85.06476	1.7
85.45303	0.7
87.00767	4.3
87.01205	0.8
87.04389	8.8
89.02319	65.1
95.01265	6.4
96.33031	0.8
97.02820	1.9
97.06464	1.0
99.00757	3.5
99.04393	2.1
99.08083	1.7
101.02326	45.7
101.05971	1.1
102.02648	0.9
109.02849	3.1
111.08041	1.3
112.01514	1.8
113.02335	34.6
115.03944	1.0
116.46680	0.8
119.03395	31.2
123.07988	1.0
125.02329	1.0
125.09612	1.5
127.11172	1.6
128.54837	0.7
129.09067	0.8
131.03394	2.7
135.04420	1.0
137.02336	6.5
137.09636	1.6
138.03111	2.1
142.38689	0.8
143.03369	2.9
143.10701	2.5
144.87587	0.7
149.04478	2.0
151.03926	1.1
152.04625	0.9
155.10707	2.9
161.04480	3.1
161.22818	0.8
165.01837	0.8
167.03380	0.9
167.14287	1.7
169.12262	1.9
173.04509	1.3
179.03413	0.7
179.05524	3.6
183.13834	1.9
185.00891	1.4
187.13293	2.1
193.12259	6.5
199.09605	1.0
201.14859	2.2
208.93752	0.8
211.13286	1.5
211.16959	1.5
229.18045	9.9
230.18349	1.0
243.54918	1.0
245.17625	1.0
259.19196	1.9
327.25369	3.0
329.10706	1.2
329.26907	9.2
330.27579	1.1
343.12115	1.1
356.07111	0.8
358.14169	2.3
373.18481	30.6
373.22290	6.8
373.25989	32.7
374.18808	2.7
374.26242	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	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01749	0.7
57.03326	1.8
59.01251	100.0
60.01595	0.9
69.03333	0.7
70.67562	0.3
71.01256	6.4
71.01620	0.5
71.04908	0.5
71.53810	0.4
72.01606	0.3
72.99187	0.4
73.02822	3.4
75.00728	0.5
81.03374	0.3
83.01271	1.1
83.04927	0.4
85.02822	3.3
85.06496	0.3
87.04382	1.7
89.02342	1.0
93.03316	0.4
95.01285	0.4
97.02880	0.3
99.00777	1.0
99.04411	0.5
101.02312	4.3
109.02837	0.6
113.02319	2.5
115.07555	0.4
119.03403	0.3
123.04410	0.3
125.09614	0.6
129.09137	0.3
137.02391	0.4
137.09712	0.6
143.10689	0.5
155.10693	2.3
159.02893	0.7
159.51767	0.3
161.04475	3.2
167.94798	0.3
169.08632	0.5
173.04469	0.9
181.12263	0.4
183.13939	0.4
187.13379	0.7
199.09686	0.9
211.17062	0.4
229.08577	0.4
242.73447	0.3
259.19171	0.8
289.07227	1.0
313.61761	0.3
327.25299	0.4
329.11053	0.4
329.26944	2.9
330.27090	0.4
331.17648	3.6
332.17749	0.3
369.66193	0.3
373.13043	0.7
373.18323	0.4
373.22171	0.6
373.25983	8.3
374.26328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2593
Annotation	oscr#24
Peak:m/z	Relative Intensity
56.55843	0.5
57.03323	9.7
58.00454	1.6
59.01252	13.0
64.57492	0.5
69.03319	0.9
69.99180	0.4
70.77413	1.6
71.01257	8.7
71.04893	6.5
72.02046	0.7
72.99171	1.2
73.02821	9.7
79.05395	5.0
81.03329	1.3
83.04890	1.6
85.02817	2.9
87.00742	0.6
87.04392	16.0
89.02307	1.3
95.01273	0.7
97.06481	2.8
99.04395	1.8
99.07992	1.1
101.02307	1.1
101.05994	0.7
107.08607	0.5
109.02856	4.3
109.06467	1.0
111.08035	2.0
113.02324	0.8
113.09591	2.1
123.08028	1.9
125.02313	1.9
125.09594	4.4
127.11176	2.8
129.09097	0.8
135.04407	1.1
136.01604	0.7
137.02342	15.8
137.09622	2.3
138.03149	4.3
139.07578	0.8
139.11165	2.1
143.10693	1.0
149.09595	3.6
149.13257	1.2
151.03900	2.0
151.11174	1.7
152.04683	1.4
153.05370	0.6
155.10693	4.5
157.12263	1.1
159.04358	0.6
162.05571	0.5
165.01883	1.2
165.12775	0.5
167.03342	1.3
167.10696	4.7
169.12260	5.7
170.02031	1.4
173.04451	0.8
179.03363	1.2
183.13782	0.8
184.03722	0.7
187.13280	0.8
189.09201	0.8
205.08774	0.8
207.17632	0.5
239.20131	9.2
240.20456	0.8
247.16982	1.3
253.21686	1.9
267.19794	0.8
269.21216	12.0
270.21512	1.2
277.18097	1.5
297.08762	0.6
311.25894	0.8
313.23776	1.5
327.25388	1.9
329.26956	22.0
330.27377	2.2
337.23819	7.7
338.24313	0.8
343.11874	1.1
355.24866	1.1
358.14194	5.3
359.14621	0.8
373.12750	2.0
373.16568	11.9
373.25928	100.0
374.16769	1.8
374.26300	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	374.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07769	0.4
55.88373	0.4
59.01251	100.0
60.01590	0.8
66.54723	0.4
67.78831	0.5
69.56155	0.4
71.01273	1.3
75.63893	0.5
85.27700	0.5
122.42426	0.4
125.49442	0.5
168.91837	0.5
177.09192	0.4
192.11465	0.7
220.14697	2.7
221.15428	6.7
236.10469	6.4
293.17548	2.9
314.27078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1083
Annotation	9beta-Hydroxy-11beta,13-epoxyatripliciolide-8-O-methacrylate
Peak:m/z	Relative Intensity
50.27781	1.4
50.61395	1.4
55.01756	3.9
57.03317	1.9
59.01247	12.1
65.03799	1.6
67.01756	23.8
68.02078	1.5
68.99677	6.4
69.03323	11.1
69.79328	5.2
69.79730	2.2
71.01247	3.8
71.04892	10.2
71.77778	1.2
72.10832	1.4
72.99193	2.4
73.02807	2.1
80.02537	1.7
81.03335	3.8
83.01234	1.6
83.01854	1.4
83.04903	5.9
84.08135	1.4
85.02799	1.8
87.00748	17.0
93.03329	5.8
95.04904	14.3
97.02818	1.8
97.06467	3.1
99.00729	4.9
99.04373	4.4
101.02295	2.2
105.06963	1.5
107.04910	18.3
108.30888	1.3
109.02811	5.5
109.06480	13.5
111.00758	1.5
111.04402	2.3
119.04881	1.9
121.02834	8.2
121.06476	8.3
123.04376	3.7
123.08050	18.5
125.02308	2.6
131.04878	1.6
133.06453	6.4
135.04419	6.5
135.08034	6.1
137.02299	1.6
137.05972	2.2
147.08012	2.9
149.05954	3.7
151.03928	21.2
151.06352	3.0
151.07539	40.7
152.04636	2.3
152.07993	1.6
157.06496	1.9
159.08055	4.7
159.11641	2.7
161.05997	3.1
161.09628	4.3
173.04512	2.2
173.09628	1.7
174.10413	1.3
175.07559	7.7
177.05508	2.8
177.09077	5.4
179.07025	4.9
179.10689	6.4
187.11171	2.5
191.07039	1.6
197.09586	2.2
197.13406	1.8
198.58534	1.3
199.11212	3.8
203.10696	2.3
205.08673	2.1
209.09601	1.5
213.08894	1.4
213.12776	2.8
215.10651	3.5
215.14368	4.3
219.06519	4.5
221.04520	3.2
223.09660	5.1
225.08984	1.6
225.12677	4.6
230.36505	1.4
241.12250	5.3
243.13631	1.9
247.06032	2.4
257.11874	2.2
259.09476	1.8
259.13391	9.4
261.11270	4.8
269.11823	17.6
275.12811	1.8
285.11414	12.0
287.12842	10.3
301.10956	1.6
303.12344	29.5
313.10843	7.7
329.10217	2.1
331.11859	100.0
332.12216	10.8
347.11203	2.5
357.09567	2.7
375.10791	76.3
375.27292	4.9
376.11081	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	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
56.68043	0.5
57.03305	0.6
57.89073	0.6
59.01252	5.0
71.01265	1.6
73.02824	6.4
83.04884	1.3
85.02826	1.1
89.02328	0.9
95.01264	1.4
97.06500	0.7
98.19793	1.8
99.00742	2.6
101.02319	0.8
107.01262	1.4
109.02831	0.8
109.06491	0.7
113.02304	1.4
123.00795	3.3
125.02307	0.8
125.09615	5.0
131.03365	0.8
132.92480	0.6
139.00253	1.2
141.01817	0.6
141.62119	0.6
151.00330	1.8
151.11244	0.9
153.12794	0.9
154.99855	0.7
163.11200	3.1
166.99776	4.6
168.08519	0.7
169.12256	1.7
181.12268	22.8
182.12601	1.2
183.10098	0.7
185.17110	0.6
194.99223	3.1
195.10318	0.8
199.13358	10.6
200.13574	0.7
206.00912	0.7
213.07550	0.8
213.11356	1.0
217.10800	1.1
225.11310	2.9
243.12354	100.0
244.12679	5.2
244.34546	0.5
294.90100	0.6
331.68951	0.7
375.06088	4.7
375.16669	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	6.7
57.03309	6.4
58.00457	4.1
59.01251	78.1
69.03310	3.6
71.01252	62.7
72.99173	7.6
73.02818	11.8
81.03343	1.6
83.01258	14.7
85.02821	28.7
87.00741	6.6
89.02314	36.9
93.03345	3.6
95.01258	7.5
95.04864	1.5
99.00759	6.9
101.02322	56.8
111.00765	3.0
113.02319	21.2
119.03388	21.2
125.02330	1.5
133.10114	3.5
143.03374	2.4
149.04437	2.3
151.11191	2.2
153.09082	1.5
161.04504	3.8
169.12250	4.4
173.04457	2.3
174.14481	1.6
177.09131	13.6
178.75288	1.6
179.05464	4.1
191.05446	1.5
195.10147	2.6
212.08090	3.4
212.18683	1.7
213.11261	7.3
240.55878	1.5
241.07198	3.7
255.08954	13.0
256.09549	1.7
259.07156	1.7
271.25574	1.5
287.10080	1.8
305.64441	1.7
327.12268	2.0
331.17706	2.4
357.15555	41.1
358.16013	2.8
375.16580	100.0
376.17123	11.6
385.19986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33741	0.8
57.03311	2.7
59.01252	30.5
69.03311	1.1
71.01250	1.9
73.02814	7.7
75.90411	0.8
95.04905	1.3
98.19782	2.1
101.02336	1.0
103.00175	1.0
112.50996	0.8
113.02337	1.1
135.04425	1.2
139.00296	0.8
139.11179	24.5
140.11548	1.0
148.01712	1.0
151.03859	0.9
165.09094	1.3
181.12271	13.1
182.12617	0.9
183.10194	31.3
184.10518	2.5
194.77701	0.9
199.13350	8.5
200.01216	0.9
202.18927	0.9
225.11238	6.2
226.99574	1.3
243.12349	100.0
244.12688	7.4
254.36618	0.9
255.15970	1.8
271.19089	1.9
287.01831	0.9
315.18195	0.9
375.06650	0.9
375.10843	3.5
375.16455	19.1
375.20908	1.1
375.27563	1.8
376.17090	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	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76168	0.9
53.77948	0.8
55.01757	2.0
57.03319	1.9
57.14740	0.8
58.00473	1.6
59.01251	43.4
67.01760	1.3
69.03326	3.0
69.51354	7.8
71.01254	30.7
72.99180	2.3
73.02818	4.0
83.01256	3.1
83.77354	0.9
85.02830	8.4
87.00747	1.6
89.02316	22.5
89.86549	0.9
93.03358	1.5
94.04191	1.2
95.01270	2.4
95.04893	6.8
97.06467	2.7
98.03598	8.6
98.19833	1.7
99.00757	2.5
101.02326	16.7
107.04912	10.7
109.02769	1.3
113.02322	10.0
118.35167	1.0
119.03398	6.8
119.84631	0.9
125.02296	1.3
125.09605	1.6
137.09627	1.1
138.03113	1.1
138.79654	1.0
148.05270	1.0
149.09618	2.9
151.11191	90.0
152.11539	4.0
154.09894	1.4
155.10744	1.0
161.04509	2.3
169.12254	13.1
173.04440	1.2
195.10202	100.0
196.10555	5.3
204.37944	1.2
205.05067	1.4
238.99561	1.0
269.21060	1.1
271.19232	1.5
322.69955	0.9
331.11771	1.2
357.13416	3.4
375.27573	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87292	0.9
56.17266	1.0
66.05415	0.9
74.98960	2.2
93.00043	1.6
98.19800	3.2
104.63622	0.9
134.79932	1.0
154.90973	1.2
159.08382	9.0
161.06349	2.6
176.56783	1.1
209.01256	3.5
215.20122	1.3
217.07133	1.3
261.04257	1.3
277.07556	3.0
289.07706	1.7
291.09100	87.9
291.97559	1.2
292.09265	12.2
309.10190	2.0
357.13803	2.7
359.15338	100.0
360.15509	17.0
375.18576	4.9
376.18341	1.3
384.39938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42148	0.6
51.96095	0.5
69.81635	1.9
69.82050	1.4
74.98940	2.3
98.19859	0.7
149.00792	0.7
150.80310	0.5
159.08360	12.7
161.06265	2.6
209.01221	2.9
217.07187	1.3
275.05829	1.6
277.07614	1.9
278.07721	0.7
289.07391	1.3
291.09100	95.5
292.09229	14.4
309.10153	0.8
357.13651	2.5
359.15338	100.0
360.15475	18.4
375.18405	5.2
376.18500	1.7
377.16068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81561	0.6
59.01251	100.0
60.01600	1.6
61.63768	0.6
68.49408	0.7
71.01274	2.3
71.53061	0.8
72.64047	0.7
73.02824	1.1
83.01254	0.7
84.12851	0.7
85.02842	1.5
89.02346	1.0
97.45907	0.6
99.04459	0.8
101.02333	2.1
111.73953	0.6
113.02272	1.2
118.55532	0.6
125.02367	0.7
125.74558	0.7
135.04440	2.0
151.03967	2.3
161.04521	2.4
365.71503	0.9
375.18478	3.5
375.27420	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03315	1.6
58.00465	2.6
59.01253	45.3
69.65800	2.0
69.66234	1.7
71.01254	25.7
72.99172	3.0
73.02810	2.1
83.01261	2.2
83.04894	0.7
85.02824	7.2
87.00761	1.4
89.02321	19.5
91.28942	0.6
95.01279	2.0
99.00761	0.9
101.02319	14.8
113.02334	8.4
119.03402	7.8
125.02325	0.7
127.88588	0.6
135.04378	0.8
137.09625	0.9
183.13875	0.9
195.13843	9.9
213.14897	3.0
333.95901	0.6
357.19153	1.4
375.20230	100.0
375.26865	18.3
376.20535	11.5
376.27640	1.2
385.60062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17719	0.2
57.03326	2.0
58.00471	0.5
59.01253	3.2
68.25139	0.2
68.80396	0.2
69.03316	0.5
70.17728	0.8
71.01243	0.7
71.04887	0.2
73.02810	0.9
75.96127	0.2
83.04874	0.3
85.02831	0.4
87.04387	0.9
93.03332	0.3
95.04902	0.3
97.06487	0.5
98.19936	0.3
99.08031	0.3
102.98486	0.2
109.02862	0.2
109.06462	0.4
111.08051	0.3
113.09602	0.3
123.08048	1.0
125.09596	0.5
127.11189	0.7
135.04428	0.2
135.08060	0.3
137.09631	0.5
138.06743	0.2
139.11189	0.6
141.09129	0.4
141.12743	0.6
143.10709	0.4
147.43108	0.2
151.03973	0.3
153.09149	0.9
155.10675	0.6
157.12256	1.8
169.12270	0.8
171.10190	0.7
185.11751	1.8
188.71436	0.2
191.70682	0.2
201.11252	0.5
214.11963	0.3
215.12854	1.3
251.20169	0.3
285.20663	0.3
285.46240	0.2
293.21207	0.4
299.10187	0.3
311.22354	0.5
327.21741	0.4
327.25409	0.3
329.23361	2.6
330.23648	0.2
339.25403	0.5
347.22076	0.2
355.24850	0.4
357.26410	3.6
358.26810	0.5
373.25916	3.1
374.26523	0.5
375.27512	100.0
376.27838	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	0.8
61.98749	0.7
71.00024	1.2
128.67062	0.7
130.60063	0.6
180.10822	0.7
187.95282	0.6
249.20372	0.8
255.23367	1.1
316.28574	1.2
345.53033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06556	0.4
59.01249	1.1
60.94819	0.4
69.59332	3.2
77.10538	0.5
77.91109	0.5
78.66401	0.5
94.00072	0.4
101.02370	0.4
102.36086	0.4
108.04330	0.4
109.85162	0.4
110.60101	0.4
114.60628	0.5
134.03648	1.0
135.04416	100.0
136.04764	3.8
151.03876	1.3
173.04472	1.0
179.03407	4.9
191.05495	0.6
249.59341	0.5
286.33411	0.5
297.09857	5.2
331.84476	0.5
341.04572	0.8
341.08752	17.0
342.09134	1.6
370.04761	0.4
377.06287	2.3
378.07010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
93.03291	0.6
134.03647	1.3
135.04411	100.0
135.52557	0.5
136.04747	5.1
137.02374	0.6
151.03917	1.5
160.03433	0.4
179.03433	6.8
191.05540	1.1
284.69522	0.5
297.09738	7.7
298.10394	0.7
341.08755	22.1
342.09232	1.8
377.06390	3.2
378.07675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50591	0.7
59.01180	15.0
59.01499	1.7
66.21648	0.7
70.35497	1.2
71.01180	14.7
78.36065	0.7
85.02731	1.5
87.00667	2.1
89.02314	29.5
89.46262	0.7
90.92651	0.7
92.77519	0.6
95.01207	1.2
101.02325	11.6
101.02940	1.6
113.02323	9.9
113.22869	0.8
119.03375	10.4
121.33694	0.6
131.03296	1.7
133.07967	0.8
141.01770	1.3
143.03345	3.3
149.04359	1.2
159.02788	0.7
161.04442	3.7
179.05524	26.0
197.02072	2.8
215.03214	17.3
341.10855	100.0
342.11172	7.9
377.08551	49.5
378.08896	3.1
393.56613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1242
Annotation	Gibberellin A32
Peak:m/z	Relative Intensity
55.01744	1.1
57.03320	0.9
59.01246	5.5
65.03827	1.5
67.01765	14.6
68.99679	1.3
69.03310	1.5
71.01250	3.6
71.04885	1.4
73.02810	2.0
75.60139	0.9
79.05380	1.0
81.03320	6.7
83.01251	7.3
83.04891	1.5
85.02828	2.6
85.06447	1.1
89.02265	1.1
93.03345	1.7
95.01237	1.1
95.04906	10.6
99.04385	3.5
101.02316	2.2
107.04910	1.4
109.02837	100.0
109.06467	1.1
109.32394	0.8
110.03164	3.4
111.04430	1.0
111.39874	1.0
113.02312	1.2
119.04921	5.1
121.02846	1.0
121.06472	3.8
121.92082	0.8
123.04397	1.9
133.06490	1.8
135.04434	2.8
135.08055	2.1
137.05984	1.5
145.06523	1.6
147.08066	5.4
149.05937	2.6
149.09634	3.5
150.27411	0.8
153.09085	1.5
159.08096	5.0
161.04324	0.9
161.05978	1.9
161.09639	3.7
163.07585	1.4
165.05551	1.1
167.07033	4.3
173.04619	1.0
173.05974	1.9
173.09627	1.5
175.07576	1.0
175.11192	2.9
177.09138	2.9
181.08701	0.9
185.09634	1.1
191.07040	2.3
194.60379	1.0
199.11205	1.8
203.10732	1.8
219.10330	1.8
227.10722	2.2
227.14270	1.3
243.13837	2.9
253.12328	1.0
259.11734	2.2
271.10556	1.2
271.13388	21.6
272.13684	2.5
287.12970	2.2
307.07339	0.9
311.50977	0.9
315.12393	24.0
316.12579	2.6
331.11874	3.6
359.11371	36.3
360.11575	3.1
377.12405	75.2
377.17984	8.6
378.12787	8.5
378.17435	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Lamiol
Peak:m/z	Relative Intensity
50.60275	1.8
51.36552	1.7
59.01248	14.8
59.94595	1.8
64.71849	1.8
66.48428	1.9
69.71034	6.5
69.71449	4.4
71.01241	6.6
73.02820	71.6
74.33973	1.9
79.05375	2.1
85.02808	3.1
89.02330	9.7
97.06458	5.5
100.01797	2.1
101.02334	4.1
113.02316	4.0
119.03332	2.4
123.04377	3.0
135.04459	9.9
135.08020	7.4
141.05466	13.1
153.09128	32.0
162.37959	1.8
171.10175	26.3
172.10472	2.6
191.05566	2.8
197.08112	11.6
211.28941	2.0
215.09200	100.0
216.09413	6.9
232.04468	1.9
257.11597	2.2
377.14206	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	377.1451
Annotation	Lamiol
Peak:m/z	Relative Intensity
57.03305	7.7
59.01252	17.0
67.01767	2.6
69.03323	5.4
69.51563	13.0
71.01253	27.6
72.99174	5.0
73.02827	3.5
75.00745	18.6
83.01250	3.1
85.02819	14.8
87.00753	20.0
87.04389	2.4
89.02305	3.0
93.03333	2.3
95.04905	2.1
95.12847	1.7
97.02821	9.1
98.20582	2.9
99.00755	4.4
101.02311	5.4
109.02845	9.3
113.02249	2.1
117.95940	1.8
129.01830	11.8
135.04378	2.8
137.06001	2.6
137.09567	6.3
141.01826	7.8
153.09131	5.9
154.62918	1.6
155.10678	57.5
156.11008	3.2
177.03966	100.0
177.20277	1.9
178.04272	2.1
179.06949	3.1
191.05460	2.5
193.03610	1.9
197.08090	2.2
199.08012	2.6
199.09692	32.6
200.09962	2.4
215.09190	9.4
271.13434	2.5
283.10849	3.8
301.11884	2.3
315.12436	2.4
359.13898	13.1
377.14038	72.4
378.14059	5.6
390.76089	1.9
402.77124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03321	1.1
58.00468	0.5
59.01250	100.0
60.01580	1.5
61.40748	0.2
69.03320	0.3
71.01253	17.9
71.04922	0.5
71.53966	0.3
72.01586	0.2
72.99194	0.9
73.02818	5.4
75.00750	0.4
79.24389	0.2
81.32230	0.2
83.01259	3.0
85.02819	8.6
85.99947	0.2
86.03086	0.2
87.00750	0.8
89.02311	4.5
95.01256	1.3
97.02805	0.5
99.00765	2.4
101.02322	13.0
102.02644	0.2
111.00789	0.3
113.02330	8.5
115.03912	0.3
119.02647	0.2
119.03400	1.3
123.04401	0.4
125.02371	0.5
127.11223	1.0
129.01851	0.5
135.04434	0.3
143.03387	1.5
159.02888	1.5
161.04463	8.9
173.15353	1.6
205.03546	0.6
217.14496	0.4
295.67953	0.2
315.03979	0.3
317.19763	0.5
335.20740	19.6
336.20941	1.8
341.10916	0.2
364.42862	0.2
377.23303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28111	0.3
55.01758	0.9
57.03328	1.1
58.00468	0.9
59.01252	100.0
60.01584	0.8
62.79825	0.3
65.08597	0.3
69.03335	0.4
71.01255	20.7
71.52058	0.6
72.99196	1.0
73.02823	6.4
83.01262	3.0
85.02829	10.0
87.00764	1.1
88.00112	0.3
89.02321	6.6
95.01261	1.9
97.02846	0.7
99.00748	2.4
101.02322	14.8
112.12929	0.3
113.02333	9.0
113.03071	0.6
119.03381	2.1
125.02409	0.5
127.11193	0.6
143.03433	1.4
159.02928	1.3
161.04471	8.8
173.15404	2.2
205.03508	0.4
317.19812	1.2
335.20746	20.6
336.21222	1.7
341.10855	0.6
399.04111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89942	1.2
59.01251	100.0
63.52332	1.1
70.56618	1.1
71.44187	2.3
75.25195	1.2
78.95753	1.5
119.14502	1.2
121.85092	1.4
123.14013	1.4
127.62554	1.3
147.84387	1.3
152.99544	2.8
158.65953	1.1
226.76579	1.2
241.43265	1.4
277.71054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50067	1.4
57.03332	4.0
59.01250	79.6
60.01580	1.8
66.54156	1.2
69.64960	7.4
78.91740	1.4
84.09061	1.2
98.20545	1.8
103.00259	48.6
118.95704	1.6
133.02861	19.7
133.03763	1.8
133.03963	1.7
133.04964	24.3
134.03647	1.3
135.04427	10.3
161.02351	100.0
162.02657	6.9
173.04547	1.3
175.06065	6.8
179.03419	5.7
183.65810	1.3
191.05568	1.8
219.05136	1.9
277.07224	6.8
295.08276	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56104	0.3
59.01257	2.1
68.99651	0.3
69.03320	0.9
69.51710	1.0
69.52136	1.0
71.01257	0.9
73.02818	0.6
85.02850	0.5
87.00787	0.5
93.03356	0.5
97.02855	0.4
98.20526	0.7
100.70002	0.3
101.02353	0.4
106.06510	25.0
106.16093	0.3
107.06851	0.9
113.02333	0.5
118.06522	1.0
119.04952	0.4
120.08094	0.7
125.02336	0.9
134.06015	100.0
135.04398	0.3
135.06363	4.2
137.02328	0.6
146.06012	1.0
148.07591	1.6
162.05545	0.6
164.04680	0.9
164.07043	1.0
165.01843	0.5
173.04460	0.5
174.05550	1.5
176.07025	0.4
178.05017	49.1
179.03949	0.3
179.05357	2.4
179.07005	0.7
182.72504	0.3
185.00798	0.6
190.04935	0.3
190.08562	0.4
192.06592	15.4
193.06882	0.8
204.06630	0.5
218.08191	0.6
220.06113	15.5
221.06320	0.6
232.06076	0.6
257.30658	0.3
322.09457	0.4
383.11285	0.9
383.20596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18859	0.9
54.43982	0.8
55.79692	0.9
59.01249	100.0
60.01591	1.0
62.48650	0.7
66.55222	0.7
70.27400	3.1
71.01255	1.2
73.02800	0.8
73.20190	0.9
89.02319	1.3
113.02330	1.0
323.09906	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
52.36587	0.8
59.01253	11.1
61.98705	0.8
62.61460	0.8
67.36885	0.8
68.99702	1.1
69.04469	0.8
71.01248	3.8
71.83835	0.8
73.02807	2.2
85.02785	1.1
87.00738	1.6
89.02291	3.2
94.11247	0.8
98.20675	1.6
101.02310	3.9
101.03822	1.2
106.20721	1.0
113.02312	3.0
119.03335	1.2
119.39712	0.9
121.02845	100.0
122.03188	4.8
145.02838	1.0
147.04396	2.3
149.02359	1.3
161.04446	1.6
179.05539	1.0
180.97859	0.8
181.06519	3.7
181.88148	0.9
188.29752	0.8
191.03406	8.6
196.01071	1.0
225.05527	7.2
251.07106	2.8
286.59521	0.8
295.06107	12.4
309.20709	1.2
311.09253	14.5
312.09369	1.7
313.07162	18.4
314.07639	1.5
323.09772	3.7
339.08774	13.8
340.09076	1.1
341.10831	3.1
383.07715	26.2
384.08054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.6
57.03316	2.2
59.01257	14.2
69.03328	100.0
70.03661	2.7
71.01241	5.6
71.28972	1.5
72.99177	2.4
74.10683	1.4
79.01757	2.1
83.01254	2.9
85.02821	16.9
85.69267	1.3
89.02277	1.6
95.01257	2.8
97.02828	17.7
97.49166	1.5
99.00760	27.1
101.02302	2.3
111.00725	5.1
113.02354	2.9
129.01799	5.3
141.01849	6.6
153.09131	2.3
169.82030	1.3
173.56244	1.3
185.00833	54.7
185.02464	3.1
193.65753	1.4
205.03444	1.9
235.79277	1.4
281.04614	2.9
366.47226	1.5
383.09509	6.2
383.21008	1.5
384.10049	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21070	1.0
59.01248	9.0
65.87755	1.1
67.01746	5.6
69.03345	2.4
71.01261	6.2
71.32485	1.1
71.32825	1.2
72.99190	1.1
81.03331	1.5
85.02826	8.0
87.00753	3.0
88.40629	1.1
89.02319	2.1
93.03339	27.4
99.04433	1.2
101.02345	2.4
109.02827	2.6
111.00774	1.7
111.04404	7.0
113.02356	2.0
115.00263	1.0
119.03408	2.0
121.02840	1.7
123.00809	1.8
123.04525	1.1
124.01573	1.5
127.03970	1.3
133.02827	5.0
134.03674	5.6
135.04425	9.3
135.05948	1.2
137.02339	8.2
141.01895	1.9
149.02318	1.9
150.03127	24.0
155.03398	4.3
162.59703	1.0
165.01787	5.2
165.05476	11.1
171.02739	1.3
173.04472	100.0
174.04811	3.8
177.02003	1.1
179.03416	7.4
190.99802	1.6
191.05539	25.4
192.05888	1.2
193.05020	3.9
194.02080	4.2
203.01816	1.6
209.00865	3.4
209.04494	26.5
221.08179	1.4
221.11728	1.4
253.64464	1.2
270.08987	1.1
383.09897	3.7
383.17291	2.6
384.14404	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.2
57.03309	1.0
59.01250	52.2
60.01570	1.1
65.26508	0.8
69.03327	100.0
70.03649	2.8
71.01237	4.1
71.53188	1.3
72.99196	1.3
73.02835	1.3
75.63882	0.8
79.01776	1.4
85.02821	7.5
89.02325	1.7
93.03328	3.7
95.01271	2.6
97.02827	18.4
99.00755	26.4
101.02311	2.3
111.00752	1.6
113.02340	1.1
118.06512	1.2
123.00758	2.2
124.01536	0.8
125.02363	1.1
129.01823	2.0
137.02357	5.5
141.01831	8.7
150.17438	1.0
153.09142	2.2
159.02855	1.1
173.04483	1.4
179.07043	1.1
180.06535	2.9
185.00841	60.4
186.01155	1.9
194.02179	0.9
197.08131	1.1
199.61110	0.8
205.51781	0.9
221.08092	1.6
229.01344	1.1
281.04459	1.8
281.07193	0.9
296.07083	1.1
318.05118	0.9
381.55844	1.0
383.10214	9.8
383.20901	1.3
384.10187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.8
59.01249	24.8
65.20827	2.9
69.03323	4.0
69.31650	2.1
70.71095	5.9
70.71449	4.3
71.01253	29.9
72.99175	12.2
73.02822	5.5
83.01274	5.6
85.02827	39.5
87.00770	8.4
89.02326	17.3
92.75851	2.8
93.03355	5.5
97.02838	4.8
98.02377	4.1
101.02333	10.5
109.02841	6.3
109.06457	2.7
111.00768	5.9
113.02322	17.6
114.29973	2.4
121.02839	9.0
123.04437	9.2
129.01863	7.5
135.04420	15.0
136.05191	8.9
137.02365	15.2
137.05963	6.0
139.03951	3.9
147.04436	2.7
149.02431	17.8
149.04478	39.2
149.05748	5.1
150.03192	5.3
150.06752	32.1
151.03961	12.9
151.07523	14.6
153.01831	4.4
160.03894	2.7
161.04506	3.6
162.05499	4.3
162.06779	47.5
163.03926	17.3
163.07553	26.8
164.04665	13.4
165.01738	3.5
165.04034	3.1
165.05472	9.2
166.38229	2.4
172.04103	3.6
173.04460	10.1
175.00294	8.5
178.02583	3.0
178.05000	10.0
179.03465	5.5
179.07047	5.0
180.07829	100.0
181.05026	6.6
181.08618	75.1
190.02658	20.5
190.05037	13.7
190.06512	2.9
191.03491	2.6
191.05531	4.9
193.01384	10.0
193.12297	7.4
205.03345	4.9
205.05031	38.6
208.03722	16.7
208.06049	5.9
216.02968	5.9
223.04823	5.0
223.06215	33.8
223.09615	3.5
234.03918	15.0
247.05943	3.3
252.05083	18.4
297.10788	2.8
385.11191	3.1
385.18668	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	384.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55682	0.4
55.01750	0.3
57.03313	0.9
59.01252	18.2
69.03330	1.9
71.01252	4.2
72.99177	0.5
73.02814	1.9
83.01250	0.6
83.13882	0.4
85.02823	1.8
87.00740	0.4
89.02274	0.7
91.05415	1.3
95.04881	0.7
97.02824	0.7
98.20569	0.9
99.00762	0.8
99.04370	0.5
101.02328	2.2
103.04159	8.5
103.04841	0.4
104.04975	0.6
106.06517	4.1
107.01331	0.4
113.02329	2.5
116.04937	0.3
118.06515	30.1
119.06837	1.0
120.08044	0.5
125.02336	1.0
130.06517	1.1
132.08089	0.7
135.04387	0.9
135.11703	0.4
136.03998	0.6
136.07579	33.6
137.02345	0.8
137.07886	1.7
141.01872	0.4
146.06021	0.8
148.07570	0.6
155.10698	1.1
158.05983	0.5
161.09627	0.7
162.05525	0.7
164.07143	2.8
165.01857	0.5
173.04555	0.4
176.07079	1.6
179.03418	0.4
179.10680	1.7
180.06583	100.0
181.06952	5.4
185.00856	0.9
194.08150	7.3
213.33400	0.3
222.07664	14.9
223.07872	1.0
223.09761	2.3
249.06056	0.6
264.02240	0.4
300.12640	0.4
324.10849	1.1
341.11395	0.6
385.12198	1.2
385.22537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96563	1.6
58.95955	1.5
59.01253	100.0
64.77782	1.3
71.01255	1.8
75.01402	1.4
89.02322	1.6
98.19804	5.2
135.85622	1.5
229.28308	1.7
234.57207	1.5
254.25526	1.7
290.56738	2.0
324.29102	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.6
59.01237	4.8
60.99170	2.3
67.01755	4.2
69.03312	2.6
69.59029	1.3
69.59372	7.4
71.01248	4.8
72.99177	5.9
73.02824	1.8
81.03329	2.2
83.01240	1.1
83.04903	1.9
85.02294	1.7
85.02818	28.5
85.23525	1.3
87.00745	11.3
91.07873	0.9
93.03334	37.8
94.03658	1.7
95.01269	2.1
95.04916	3.4
97.02827	3.4
99.00754	1.5
105.03333	2.6
108.02020	1.6
109.02854	8.3
111.00790	1.4
111.04418	6.2
121.02846	18.6
123.00743	3.7
123.04420	4.3
124.01540	3.3
125.02366	2.5
127.03883	3.5
129.01788	3.0
135.04411	5.0
136.01582	1.2
137.02336	17.0
138.02872	1.1
139.03914	23.0
147.02829	1.3
149.02344	27.9
150.02676	1.4
151.03883	1.2
153.01860	1.9
155.03389	2.1
165.01895	7.9
167.03429	20.2
173.04477	44.2
174.04802	2.7
179.03360	1.7
191.05544	100.0
192.05869	4.7
193.01369	37.5
194.01724	2.1
205.03375	1.8
207.04872	1.3
211.02417	9.8
223.04404	5.3
247.04512	2.2
263.06989	1.2
285.28235	1.1
367.06744	3.1
385.07791	20.2
386.08044	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48692	0.8
55.01756	3.1
57.03329	8.5
59.01245	7.0
67.01763	2.3
69.57600	4.8
69.58017	1.5
71.01254	8.6
72.99183	2.2
73.02849	0.9
75.00758	2.8
78.31709	0.9
78.91766	1.8
81.03330	1.3
83.01271	3.4
83.04906	1.1
84.02038	2.0
85.02822	54.6
86.03149	1.7
87.00768	4.2
89.02331	1.2
93.03348	8.3
93.47776	1.0
96.95982	1.0
99.00790	1.2
101.02316	4.7
107.48550	1.1
109.02847	4.0
111.00768	19.2
111.04411	3.4
119.04963	2.3
121.02850	3.8
123.04424	3.6
125.02349	1.7
127.80125	0.9
129.01833	13.6
130.80344	1.1
135.04446	4.7
136.01569	1.5
137.02365	2.0
137.06004	5.6
139.03917	2.4
147.02907	4.1
149.02414	4.4
149.05997	13.9
150.06355	1.2
151.03883	6.5
155.03374	1.9
167.03401	2.4
173.04471	22.1
179.03450	2.1
181.04962	6.7
187.02403	2.1
191.01915	4.9
191.05550	23.7
193.01355	2.9
204.28836	0.8
205.03470	22.5
209.03009	3.0
211.02444	2.0
211.06076	21.9
212.06436	1.3
223.04546	100.0
224.04861	4.4
293.95245	1.0
304.02481	1.0
385.07193	1.7
385.11633	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.3
59.01238	2.8
67.01762	4.0
69.03336	3.1
70.84156	1.7
71.01254	4.6
71.58786	0.5
72.99175	4.1
73.02831	1.3
77.22629	0.5
81.03326	2.7
83.01275	0.7
83.04916	1.0
85.02823	16.3
86.03182	0.6
87.00751	8.6
87.97919	0.6
93.03336	25.2
94.03680	1.0
95.01258	2.0
95.04896	4.4
97.02838	3.6
99.00764	2.0
99.04394	0.7
100.98657	1.0
101.02328	1.2
102.41707	0.6
105.03346	2.4
107.23621	0.6
108.02071	0.8
109.02837	4.3
111.00768	3.9
111.04412	6.0
112.80689	0.5
113.02312	1.0
115.00288	0.9
116.27866	0.5
121.02852	12.4
122.03204	0.7
123.00768	5.8
123.04392	4.5
124.01561	2.3
125.02328	3.3
127.03867	1.3
129.01811	3.3
133.02866	1.1
134.03691	1.0
135.04424	5.8
137.02338	12.9
139.03911	17.9
140.04219	0.5
147.02863	0.8
149.02350	27.5
149.06020	0.7
150.02916	0.9
151.03900	1.5
153.01875	0.8
155.03387	4.4
161.02345	1.8
165.01830	5.9
166.02583	0.7
167.03409	36.6
168.03775	1.3
173.04471	100.0
174.04829	4.2
178.02673	1.2
179.03448	3.7
183.02881	0.7
189.04027	0.8
191.01926	1.7
191.05539	56.1
192.00560	1.0
192.05841	2.0
193.01355	29.7
194.01860	1.4
203.03407	1.8
205.03452	2.8
209.03017	1.6
211.02434	13.4
223.04552	8.5
240.12090	0.7
352.07980	0.8
367.06812	2.0
385.07523	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56337	2.6
55.01743	3.9
57.03328	17.5
59.01246	16.0
65.20464	2.2
67.01764	4.8
69.33836	22.9
71.01248	14.4
72.99160	4.2
75.00748	6.5
78.91769	4.0
81.03321	3.9
83.01279	8.1
84.02035	3.6
85.02824	100.0
86.03159	2.9
87.00745	8.1
93.03329	34.4
95.04949	3.9
97.14896	2.9
101.02325	6.1
102.22858	2.5
109.02798	5.9
111.00766	30.3
111.04390	6.2
121.02840	6.2
123.04381	3.1
125.02349	4.6
127.03845	3.0
129.01837	22.3
135.04376	8.0
137.02332	10.4
137.06003	4.8
139.03906	6.0
147.02901	6.9
149.02310	8.6
149.05981	19.3
151.03841	5.1
155.03407	5.7
173.04463	83.2
174.04810	5.7
175.04004	2.7
179.03430	4.9
181.04938	11.9
191.01906	12.5
191.05539	51.2
192.05823	3.2
193.01314	4.6
197.19598	3.0
205.03488	29.0
209.02945	5.5
211.02193	2.8
211.06053	21.1
223.04536	94.9
224.04843	5.1
246.91650	2.4
270.89172	2.6
320.84354	2.6
385.07394	2.4
385.11530	19.2
387.86099	2.8
392.23953	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44634	0.4
55.01756	4.2
56.67599	0.5
59.01250	1.7
60.99213	0.4
67.01768	0.5
69.03323	100.0
69.23399	4.9
70.03654	2.0
71.01258	1.1
72.99172	2.2
73.02815	0.9
79.01753	2.5
79.36151	0.5
79.87392	0.4
83.01306	0.5
85.02834	1.7
95.01260	2.4
97.02829	20.8
98.03211	0.6
98.20622	0.9
99.00751	25.0
113.02335	1.1
123.00781	1.3
125.02272	0.6
137.02316	1.0
141.00786	1.0
141.01830	12.7
142.02147	0.5
153.27022	0.5
155.10690	5.4
162.44522	0.5
179.03421	0.8
179.10709	1.5
185.00836	78.1
186.01204	3.7
199.09673	2.9
223.09688	1.2
238.40776	0.5
385.11334	9.5
385.22427	1.1
386.12198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70697	0.6
55.01756	5.3
59.01252	8.5
61.36253	0.6
69.03326	100.0
69.08932	0.6
70.03659	2.2
71.01266	1.7
72.99181	2.5
79.01752	3.3
83.01282	0.8
85.02837	1.8
95.01269	2.7
97.02836	18.7
99.00759	25.3
100.01078	0.7
123.00788	1.0
124.15095	0.8
137.02364	1.5
141.01834	13.3
148.60199	0.6
155.10696	5.8
175.78255	0.6
184.47871	0.6
184.66841	0.7
185.00845	82.2
186.01288	3.8
199.09703	2.2
212.86417	0.6
216.17204	0.6
221.64778	0.6
257.36923	0.7
385.11536	8.0
385.22183	0.7
386.11588	1.1
392.58298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91401	0.4
55.01765	0.5
55.19432	0.3
57.03322	1.4
59.01252	6.0
67.01775	2.0
68.99687	3.3
69.03330	4.0
69.32980	2.2
69.33392	0.7
71.01254	6.7
72.96266	0.3
72.99194	1.1
73.02835	0.7
75.00735	0.7
80.92935	0.3
81.13741	0.3
83.01278	1.7
83.91126	0.4
85.02823	7.7
85.03292	0.5
85.99963	0.6
87.00723	2.5
89.02324	2.4
91.03891	1.4
91.86537	0.3
93.03361	0.8
94.82113	0.4
95.01260	2.3
97.02834	3.9
99.00768	1.0
100.32942	0.4
101.02325	0.8
104.69043	0.4
111.00768	2.0
112.01554	0.3
113.02325	5.4
114.02645	0.4
119.03387	0.6
121.02846	100.0
122.03172	3.7
126.15777	0.3
129.01820	1.2
135.04375	0.7
137.09637	0.6
139.00279	1.3
141.01819	3.2
143.03413	0.7
153.09203	0.4
155.10686	4.4
157.01335	0.4
161.04462	0.5
181.08601	0.9
185.00861	2.8
197.04483	0.7
199.09731	1.3
203.01895	3.2
205.12234	0.4
223.04980	0.3
231.05138	1.8
249.06108	1.0
256.83765	0.4
263.07715	27.6
264.07996	1.2
267.07230	2.2
348.89877	0.4
353.08420	0.6
385.11307	20.2
386.11786	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03330	1.6
59.01249	6.5
67.01772	1.8
68.99696	2.5
69.03330	5.2
71.01255	8.8
72.99187	1.5
73.02829	0.8
75.00756	0.8
79.01740	0.5
83.01254	1.2
85.02818	8.1
85.99979	0.6
87.00730	2.2
89.02330	2.6
91.03886	1.7
91.05418	0.5
93.03334	0.8
95.01270	2.3
97.02823	4.8
99.00762	1.2
101.02325	1.3
111.00761	2.0
113.02328	6.2
115.03935	0.4
121.02841	100.0
122.03156	4.8
129.01834	0.5
135.04459	0.6
139.00269	1.0
141.01796	3.6
143.03445	0.4
149.02382	0.4
152.08301	0.4
153.09088	0.5
155.10690	6.0
156.11035	0.4
157.01323	0.8
179.10677	0.5
181.08543	1.1
185.00873	2.5
189.03915	0.4
197.04474	0.6
199.09718	1.5
203.01907	2.6
218.78462	0.3
231.05066	1.4
249.06078	1.1
263.07706	19.4
264.08014	1.4
267.07236	3.1
353.08612	0.5
385.11276	15.4
386.11728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02280	1.0
55.01758	4.4
57.03325	4.4
59.01252	20.5
67.01763	1.0
67.98996	0.8
69.03327	100.0
70.03659	2.3
71.01277	3.9
71.97440	0.9
72.99187	3.4
79.01771	3.2
81.03336	2.2
83.01254	2.5
85.02827	3.1
89.02315	1.8
93.03345	1.4
95.01290	3.1
95.04900	2.4
97.02829	23.0
99.00758	26.4
99.04384	1.1
101.02300	1.2
107.04910	1.0
109.02824	2.7
113.02351	2.6
119.03380	1.2
121.02834	2.4
122.03664	1.3
123.00776	1.6
123.04392	1.0
124.01542	0.9
125.02339	20.3
135.11699	2.8
137.02350	30.8
141.01830	14.2
146.03625	5.5
151.03899	2.2
155.10699	7.2
159.04416	1.2
159.11768	0.9
161.09592	2.7
161.41635	0.9
164.01048	8.4
165.01839	24.3
166.07658	1.1
167.03398	11.0
172.05203	1.7
173.05943	4.5
174.03134	2.6
174.06836	1.2
175.03909	1.3
175.07571	13.3
176.04724	2.2
176.07935	1.0
177.01840	3.5
179.03441	6.7
179.10709	17.6
180.11014	1.1
185.00844	83.3
186.01195	3.5
187.03944	1.0
187.07570	2.0
189.09171	2.1
190.02621	1.0
191.03261	1.0
199.09650	2.6
200.04663	3.1
201.05396	1.1
201.09097	1.6
203.01917	3.1
203.07114	5.8
203.10715	2.4
205.08624	2.6
213.09244	1.2
217.08597	4.6
223.09694	10.1
225.05473	1.1
229.08685	10.3
239.10648	1.0
240.07840	0.9
241.08603	2.1
247.09721	3.6
249.69814	0.8
258.65573	0.9
268.07260	1.7
273.11163	0.9
281.11810	2.9
283.09805	2.4
294.09113	1.0
297.11267	2.5
299.12869	2.5
301.10898	1.1
308.63965	1.0
323.12875	9.6
324.13074	1.2
341.10355	1.0
341.14026	1.7
367.11835	25.1
368.12082	2.6
385.12012	15.9
385.22067	2.0
386.12555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
56.30153	1.1
57.03326	14.5
57.08113	1.0
59.01254	17.8
68.99683	1.1
69.03326	15.1
69.17285	3.5
69.17700	8.7
71.01255	16.7
71.04890	3.0
72.02036	3.5
73.02821	19.5
81.03336	6.0
83.01262	8.3
83.04911	7.2
85.02824	7.5
87.04388	11.0
89.02307	5.1
91.05402	1.3
93.03341	4.5
95.01280	1.9
95.04937	5.8
97.02816	7.7
97.06464	12.3
98.03636	1.4
99.00747	2.2
99.04411	7.6
99.08026	3.4
101.02339	3.9
101.06000	6.3
107.04888	3.2
109.02838	5.9
109.06480	11.0
111.04372	3.4
111.08046	9.2
113.02319	2.3
113.05977	1.7
121.02826	4.3
122.03629	3.5
123.04365	3.4
123.08020	6.7
124.01589	2.0
125.01441	2.6
125.02331	37.3
125.03770	1.4
125.06000	6.1
125.09635	2.9
127.07552	2.7
129.01848	1.1
129.74521	1.2
135.04396	3.3
135.08080	7.7
135.11711	3.0
137.02347	68.8
137.09602	11.9
138.02698	1.5
138.06773	7.7
139.03954	3.0
139.07582	1.7
139.11200	8.9
141.01884	1.2
141.09085	3.6
145.06555	1.7
146.03635	11.4
147.04141	2.0
149.02434	1.5
149.05986	2.9
149.09596	2.1
150.03096	4.1
151.03923	5.5
151.07538	2.1
151.11148	1.4
153.09116	21.4
155.10693	11.5
159.04489	3.4
161.02269	1.7
161.06050	1.3
161.09668	6.1
163.00314	1.3
163.07532	2.1
164.01056	16.4
164.08278	1.7
164.51871	1.2
165.01854	48.8
165.09221	1.5
165.12682	1.9
166.02142	2.2
167.03415	23.6
167.10712	3.4
168.11453	4.7
169.08572	2.4
169.12288	7.1
172.05180	5.2
173.05984	7.7
174.03136	4.0
174.06772	3.8
175.03946	5.0
175.07564	18.8
175.11163	1.7
176.04683	4.6
177.01869	7.3
177.12776	1.4
179.03410	12.0
179.10693	18.4
181.12199	1.3
181.76105	1.2
182.09383	4.3
183.10133	1.5
183.13800	7.4
185.00826	7.3
187.03894	3.0
187.07607	6.6
188.04721	2.1
189.05484	1.7
189.09106	2.8
190.02686	3.3
191.03426	1.9
193.12283	4.4
197.41776	1.3
199.07547	2.6
199.09514	1.7
200.04742	5.4
201.05510	2.3
201.09096	6.1
202.06212	2.3
203.07097	11.2
203.10655	1.8
205.08600	5.7
205.15997	1.5
206.13101	1.8
209.15395	3.4
211.03973	2.2
211.07611	1.4
212.04584	1.4
213.09229	1.5
215.07091	1.6
217.08620	11.4
219.10176	2.3
219.17426	2.9
220.05154	1.3
223.09682	9.0
225.05504	1.7
226.06287	1.4
229.08672	21.3
231.17456	1.8
235.95917	1.3
237.09093	1.5
237.18553	1.8
239.10777	1.3
240.07919	1.6
241.08708	3.7
244.07478	1.4
247.09740	11.0
247.17001	2.0
247.20619	10.0
249.18605	5.5
251.06931	1.6
253.14433	1.7
255.10248	3.0
257.11789	2.5
257.19077	3.6
265.18103	2.3
267.16000	2.3
270.09290	2.0
273.11401	2.3
275.20148	79.0
276.20468	6.4
281.11771	3.8
283.09689	3.4
288.06256	2.6
293.21198	5.1
294.08948	1.4
295.95111	1.1
297.11346	4.2
297.15164	1.7
299.12793	4.3
301.10843	1.6
311.22226	10.8
323.12817	16.1
324.13202	2.8
325.11044	1.5
327.18079	13.2
341.13885	2.6
349.10504	1.6
355.21252	100.0
356.21707	9.9
367.11877	39.2
368.12366	6.5
385.13034	25.1
385.22314	91.5
386.13116	4.7
386.22687	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	385.1295
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
51.68263	1.3
52.41567	1.6
52.91047	1.6
54.68960	1.4
57.03332	12.0
59.01255	20.5
60.72426	1.6
65.87373	1.4
69.03331	16.1
69.16688	12.8
69.17098	3.0
71.01247	8.2
72.99197	1.8
73.02831	1.8
81.03331	10.2
83.01254	7.9
83.04890	1.7
85.02830	5.8
89.02325	10.3
93.03358	3.1
95.01259	4.5
95.04907	6.8
97.02828	9.9
97.06447	2.3
99.00725	3.8
99.04384	6.4
101.02305	4.5
107.04910	4.2
109.02830	8.9
109.06436	2.1
111.04408	1.8
111.08014	2.9
113.02319	4.8
119.03380	2.5
120.05694	2.4
121.02853	7.8
122.03613	5.5
123.04407	5.2
125.02341	74.7
126.02670	2.4
126.31915	1.5
131.04939	2.0
133.02904	1.9
133.10104	1.6
135.04401	5.8
135.11671	5.7
137.02344	100.0
138.02701	3.0
139.03932	2.5
146.03648	19.5
146.07301	1.9
147.04382	3.6
149.02356	1.8
149.06018	2.5
150.03128	2.7
151.03883	6.4
153.09070	2.6
156.05600	1.5
157.06415	2.3
159.04420	6.3
159.08144	1.7
159.11864	1.7
161.05890	2.8
161.09680	11.1
164.01079	23.9
165.01851	85.9
166.02214	2.8
166.99437	1.5
167.03410	44.5
169.08643	3.2
172.05202	5.6
173.05995	14.2
174.03169	9.7
174.06731	5.7
175.03912	8.6
175.07571	34.9
176.04720	11.1
176.07913	2.9
177.01849	12.9
179.03406	24.1
179.10706	41.6
180.03749	1.4
181.04971	2.2
185.00874	9.8
185.05977	4.5
187.03909	5.0
187.07600	9.5
188.04718	4.7
189.09134	5.3
190.02617	4.4
190.06244	2.1
191.03403	3.1
191.07042	2.0
197.11748	1.7
199.07634	4.4
200.04707	6.0
201.05498	5.4
201.09167	7.8
201.10800	1.7
202.06215	3.3
203.07063	19.5
203.10637	4.3
204.04257	3.5
204.07468	2.7
205.08670	9.1
211.03802	1.7
212.04726	1.6
213.09142	3.5
215.06969	3.1
216.07799	2.9
217.08630	19.6
218.09009	1.7
223.07585	3.1
223.09705	43.3
224.10016	2.1
225.05576	4.8
225.09122	1.8
226.06281	3.2
229.08672	39.2
230.09070	4.1
239.07115	2.5
239.10751	3.5
240.07870	2.4
241.08630	5.4
244.07297	3.1
247.09717	13.5
251.07181	2.9
253.05029	1.7
254.09560	1.8
255.10242	5.9
257.08148	2.9
257.11823	4.9
265.08548	1.8
265.11136	1.8
268.07422	3.6
273.11218	1.7
279.10089	1.8
281.11841	7.7
283.09680	5.1
288.06415	3.7
294.09027	2.1
295.09589	2.2
295.13251	2.5
297.11316	8.4
299.12811	10.6
301.10913	2.4
309.08749	2.2
323.12939	29.6
324.13211	4.2
341.10291	4.8
341.13962	5.7
349.10376	3.4
367.11844	78.7
368.12097	9.5
385.12894	47.4
385.22308	6.0
386.13248	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
57.03329	13.3
59.01252	28.9
69.03333	27.7
69.43140	11.8
71.01257	17.0
71.04888	1.6
72.99184	1.7
73.02815	4.2
75.00730	1.5
75.93904	1.8
76.76163	1.3
81.03330	7.9
81.06950	1.8
83.01255	13.7
83.04910	3.5
83.24155	1.4
85.02833	11.5
87.04381	2.1
89.02322	14.9
93.03326	5.1
95.01258	3.5
95.04884	7.1
97.02826	15.9
97.06469	2.7
99.00769	4.9
99.04412	5.7
101.02320	6.9
107.04858	2.6
109.02843	8.8
109.06509	3.7
111.04424	2.9
111.08025	2.1
113.02348	10.1
113.05930	1.3
119.03384	4.8
121.02840	7.7
122.03607	5.0
123.04400	5.0
124.01551	3.5
125.02340	62.6
126.02695	2.9
131.04987	1.8
133.10141	3.1
134.06329	1.3
135.04398	5.6
135.08170	1.6
135.11708	14.0
137.02353	100.0
137.09608	2.1
138.02705	4.7
139.03912	4.1
145.06506	1.7
146.03653	19.0
146.07372	2.6
147.04349	2.8
149.05919	2.4
150.03120	6.3
151.03893	6.4
151.07622	2.1
154.02679	1.5
155.10690	5.3
157.06459	2.6
157.61220	1.4
159.04410	5.9
159.11761	2.0
161.02390	2.4
161.04526	1.4
161.08412	2.3
161.09631	20.4
163.07599	1.4
164.01082	25.6
165.01855	78.8
166.02280	3.4
167.02127	2.6
167.03429	35.1
172.05212	8.8
173.04616	2.2
173.06004	14.5
173.73358	1.4
174.03159	8.8
174.06743	7.2
175.03918	5.1
175.07581	37.5
175.11150	2.5
176.04736	9.1
177.01894	13.4
179.03441	21.3
179.05025	2.0
179.05573	1.2
179.10712	68.1
180.11043	4.6
185.00865	11.3
185.06001	1.7
186.06740	2.9
187.03899	4.4
187.07622	10.1
188.04752	3.6
189.05373	2.8
189.09097	5.7
190.02618	4.2
191.03416	3.2
197.11693	1.5
199.07550	3.0
200.04741	7.6
201.05437	4.8
201.09135	15.1
202.06313	4.3
203.07056	17.4
203.10695	7.0
204.04156	2.7
205.08693	10.9
211.03894	2.3
211.07628	3.1
213.09111	4.5
215.07045	3.1
216.07706	2.4
217.05086	1.4
217.08693	12.3
219.10107	2.1
221.11740	2.0
223.09717	84.7
224.10051	5.5
225.05452	3.2
226.06233	2.8
227.06967	2.5
229.08673	31.8
230.09131	3.8
237.09073	2.0
239.06961	2.8
239.10724	3.9
241.08612	6.0
242.09216	1.7
244.07309	2.7
247.09740	11.6
247.17090	1.5
251.07217	2.8
252.07672	1.7
255.10254	4.4
257.11865	3.4
265.08524	2.2
265.10947	2.7
268.07559	3.3
269.07990	1.9
281.11816	7.7
283.09772	5.3
288.06262	2.2
294.06131	1.7
294.09052	2.4
295.09906	2.1
297.11221	4.2
299.12769	9.1
301.10614	1.5
309.08807	7.0
323.12900	24.0
325.10641	1.9
327.18027	1.6
341.10596	3.9
341.14032	3.6
349.10770	2.1
367.11847	53.3
368.12238	6.7
385.13007	29.4
385.22278	7.9
386.13028	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08349	1.7
54.37390	1.4
57.03322	16.0
58.00465	2.8
59.01251	53.5
62.03558	1.4
62.44943	1.5
65.10929	1.4
67.62299	1.6
69.03327	38.7
69.93344	3.6
69.93732	3.8
70.03654	1.9
71.01253	26.1
72.99209	2.2
73.02830	12.8
81.03327	3.6
83.01250	11.1
83.04894	4.2
85.02823	20.5
87.04390	5.5
88.57168	1.5
89.02319	17.2
93.03336	6.1
95.01241	3.8
95.04918	3.0
97.02850	10.7
97.06464	6.5
99.00763	9.5
99.04375	4.7
99.07994	1.8
101.02320	10.8
107.04922	3.7
109.02840	11.9
109.06481	13.7
111.04368	3.4
111.08033	21.6
113.02333	10.0
113.05962	2.4
119.03400	5.2
119.04906	5.7
120.05726	3.2
121.02803	4.2
121.06491	4.6
122.03613	5.4
123.04368	1.8
123.08028	3.5
125.02344	31.4
125.05982	3.5
125.09609	4.6
127.07534	7.3
133.10173	3.0
135.04382	2.7
135.08067	4.4
135.11717	9.7
136.07532	9.5
137.02347	100.0
137.05914	1.7
137.07916	6.4
137.09605	12.7
138.02698	4.9
138.06738	2.3
139.03929	2.4
139.07521	2.9
139.11215	1.5
141.01855	1.8
146.03630	6.0
146.07327	1.8
149.02338	5.4
149.05887	1.7
150.03145	18.1
151.03857	2.9
151.07541	1.8
153.09134	18.9
155.10666	19.2
156.10970	2.5
159.04410	2.4
159.11664	2.7
161.02361	2.0
161.09627	21.1
162.03177	1.8
162.10080	1.9
163.03923	4.7
164.01056	11.3
165.01852	48.3
165.09100	2.2
167.03455	9.8
167.10756	2.3
169.08618	4.2
169.12190	2.3
172.05208	4.9
173.04536	2.5
173.05971	3.0
174.03162	6.0
174.06657	2.1
175.03889	6.4
175.07570	12.8
176.04672	1.9
177.01939	2.5
177.09186	2.5
179.03375	14.2
179.10698	62.8
180.06566	4.0
180.11026	5.0
181.06917	3.7
183.13805	2.8
185.00856	20.2
187.07486	7.5
188.04681	3.3
189.09071	2.0
190.02689	2.2
194.08192	1.8
195.08286	1.9
197.11823	4.0
199.09702	4.4
200.04733	5.2
200.97549	1.8
201.05537	3.0
201.09207	10.7
203.07143	7.8
203.10660	9.3
205.08623	4.3
205.15950	2.7
209.15353	2.6
217.08640	4.8
223.07675	1.8
223.09735	29.4
224.10078	2.2
227.07059	2.6
228.04388	1.7
229.08687	10.2
244.07407	2.2
247.09721	20.9
247.16977	3.7
253.14467	3.6
265.18085	6.4
275.20108	7.5
281.11728	1.9
288.06387	8.8
299.12857	3.5
323.12857	4.7
327.18100	16.6
328.18555	2.0
341.14008	2.0
343.24789	2.3
346.36026	1.7
355.21298	12.2
367.12051	13.1
385.12891	35.7
385.22318	41.3
386.13147	5.5
386.22736	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74147	0.3
57.03318	1.0
58.69775	0.3
59.01252	100.0
60.01579	0.8
64.86652	0.4
67.70546	0.3
69.03325	4.8
71.01250	3.7
72.99203	0.8
73.02799	0.9
75.00758	0.7
80.17455	0.3
83.01272	0.8
83.04906	0.5
85.02827	2.6
87.00777	0.9
87.04395	0.7
89.02327	1.4
90.98471	0.7
93.03340	0.9
95.01243	0.5
95.40775	0.3
97.02834	1.6
97.06537	0.4
99.00782	1.3
99.04392	0.6
101.02335	1.1
102.98505	0.4
108.02049	0.4
109.02862	1.0
113.02335	2.7
113.05953	0.3
118.06558	0.8
119.03405	0.4
119.06863	0.4
121.02867	0.7
123.04411	0.6
125.02351	2.2
135.04413	5.1
135.11736	0.6
136.07620	1.0
137.02348	4.3
137.07942	0.9
146.03694	0.7
149.02368	0.4
150.03146	1.1
151.03920	0.7
155.10739	0.9
156.90222	0.3
161.04523	0.4
161.06052	0.4
161.09660	1.3
164.01068	0.8
165.01837	2.3
167.03503	0.9
173.04543	0.8
174.03111	0.4
175.02325	0.4
175.03851	0.6
175.07634	1.0
179.00111	0.6
179.03444	0.9
179.10710	3.0
180.06691	1.5
180.98770	0.4
181.05348	0.3
181.06924	2.0
185.00826	2.4
187.07594	0.4
191.05559	0.5
199.09892	0.5
201.09433	0.4
203.07048	0.4
217.08725	0.4
223.09697	2.5
229.08655	0.6
249.06184	3.4
323.12961	0.4
367.11899	0.8
385.12292	4.0
385.18018	0.5
385.22516	2.6
386.12469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84293	0.4
55.01763	0.5
59.01250	100.0
59.93133	0.4
60.01595	1.1
69.03324	12.7
70.03674	0.4
71.01263	1.8
72.99150	0.7
73.02829	1.2
77.10163	0.4
85.02820	1.0
88.04031	0.3
89.02334	0.9
95.01259	0.4
97.02840	3.1
99.00754	3.0
99.46736	0.3
101.02334	1.3
108.09035	0.4
109.02807	0.4
113.02350	1.0
122.06108	0.4
124.65287	0.4
125.02409	0.6
137.02379	1.4
141.01865	1.3
155.10713	0.9
161.09703	0.5
165.01802	0.6
179.10741	1.4
185.00845	9.0
199.09773	0.6
200.95889	0.5
201.09207	0.5
223.09694	1.0
385.11682	0.6
385.22476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51684	0.8
53.90373	0.9
54.49374	0.7
55.01754	3.1
55.10573	0.8
57.03318	3.4
58.00465	2.2
59.01251	54.2
60.01587	1.2
63.45897	0.7
67.01779	1.3
69.03297	1.3
69.55021	1.5
69.55435	3.5
71.01254	74.9
72.01597	2.2
72.99184	4.2
73.02823	11.4
78.86862	0.6
83.01249	5.2
83.04912	1.5
85.02822	27.8
87.00741	4.6
89.02319	31.7
93.03336	3.9
95.01269	5.3
95.04890	2.4
97.02837	6.6
97.06490	0.8
99.00758	7.0
101.02324	32.7
105.06960	1.6
108.05681	3.0
108.21263	0.8
109.02832	1.6
109.06482	1.7
109.46103	0.8
111.00748	1.5
111.04395	2.2
113.02330	29.1
113.05975	4.2
114.02701	0.8
119.03385	10.9
121.02850	21.5
121.06438	0.9
122.03645	1.4
123.04410	1.8
123.08068	4.2
125.02322	2.5
125.05968	3.1
129.01787	1.1
134.03702	1.0
135.04420	1.9
135.08000	0.8
136.05205	3.8
137.05986	2.0
138.06763	19.9
139.03937	1.3
139.07570	10.0
143.03407	3.6
147.08154	0.9
149.02357	2.5
149.05995	2.4
151.07550	20.8
151.62550	0.8
152.04689	2.3
152.08342	45.7
153.09122	100.0
154.09465	4.8
159.02898	5.0
161.04463	16.8
162.04788	1.0
163.11115	3.7
165.09088	1.6
167.03394	1.9
167.07002	1.8
173.04486	10.3
174.04802	1.3
174.55237	0.7
179.05519	2.8
187.11201	2.3
190.09889	1.7
191.05536	4.2
193.01337	2.8
193.12288	1.0
205.03407	1.1
205.12271	30.2
206.12590	2.7
211.02342	1.4
223.13347	14.6
224.13800	1.2
241.14500	1.3
263.07593	2.3
304.06989	2.7
385.11322	3.6
385.18726	12.1
386.19125	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01284	1.0
55.01757	1.4
57.03328	10.2
59.01253	13.7
66.22045	0.8
69.03328	13.6
70.54607	2.8
71.01254	16.1
71.04892	3.7
72.02034	4.0
72.99191	1.3
73.02820	37.5
81.03334	3.4
81.72630	0.8
83.01256	4.4
83.04894	5.0
85.02835	7.8
85.12690	1.0
87.04393	11.4
89.02326	3.4
91.05412	1.0
93.03352	2.9
95.04888	3.1
96.99225	1.4
97.02820	3.6
97.06464	9.3
98.19760	1.2
99.00750	3.2
99.04381	7.8
99.08035	3.7
101.02319	3.2
101.05967	14.9
107.04904	1.2
109.02831	3.9
109.06486	11.8
110.06788	1.1
111.04400	2.1
111.08040	6.7
113.00835	0.9
113.02331	3.7
113.05984	2.3
113.09637	1.1
115.07526	1.1
121.02867	2.7
121.06494	1.6
122.03609	1.5
123.04427	2.2
123.08028	6.3
125.02335	21.4
125.05977	4.9
125.09603	2.6
125.99452	1.8
127.07507	3.6
133.02841	0.9
135.04424	1.2
135.08049	5.7
137.02348	34.8
137.09628	12.0
138.02705	2.2
138.06752	9.6
139.03929	1.9
139.07509	1.6
139.11188	11.3
141.09131	3.0
146.03661	5.0
148.05276	1.0
149.02359	1.6
149.05991	1.5
149.09547	1.1
150.03102	3.0
151.03923	2.2
151.07584	1.3
151.11197	1.0
153.09125	18.3
155.10683	12.2
159.04395	1.2
161.09645	3.6
163.07539	2.8
164.01083	6.8
165.01842	23.5
165.09027	1.2
165.12752	2.5
167.03418	11.1
167.10696	3.1
168.11453	4.8
169.08519	1.0
169.12239	6.7
172.05176	1.8
173.04523	1.3
173.06001	3.5
174.03104	2.6
175.03941	2.3
175.07585	10.1
176.04663	2.9
177.01813	2.3
179.03452	6.7
179.10712	10.0
180.11031	1.6
182.09416	3.9
183.10100	1.9
183.13831	17.7
184.14073	0.9
185.00827	7.0
187.03885	1.2
187.07542	4.0
189.05486	1.2
193.12227	2.2
199.09727	2.3
200.04750	2.2
200.10440	3.6
201.09169	3.2
203.07080	4.4
203.10767	1.6
205.08568	2.8
206.13002	2.1
209.15417	6.3
215.06989	1.1
217.08688	4.4
219.17497	4.6
223.09755	4.5
225.05548	1.2
226.06290	1.7
229.08733	10.0
231.17604	1.0
235.16933	1.9
237.18607	1.1
241.08633	1.7
247.09813	5.9
247.17105	3.0
247.20641	10.4
248.21045	1.4
249.18692	5.5
253.14362	1.6
255.10356	1.7
257.19150	5.3
265.18201	2.3
275.20154	79.5
276.20435	9.5
281.11942	2.0
288.06372	2.3
293.21210	3.9
294.09116	1.1
297.11609	1.5
299.12823	2.8
309.16858	1.3
311.22263	7.2
312.22632	1.0
323.12820	6.0
327.18143	25.9
328.18381	2.3
341.13962	1.5
341.23276	1.9
355.21249	100.0
356.21606	13.3
367.11887	16.2
368.12170	2.1
385.13156	13.8
385.22318	89.0
386.13028	2.0
386.22537	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	385.2234
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.03337	0.6
59.01254	4.9
69.03329	1.3
71.01265	1.6
71.51442	0.7
85.02818	0.9
89.02330	2.0
91.03886	2.9
100.43234	0.5
121.02871	1.0
122.03591	1.4
123.04411	1.0
125.02335	1.2
126.03109	0.7
137.02338	1.3
147.29683	0.6
167.14311	2.6
191.14653	0.7
193.15892	1.7
207.17445	1.9
223.20642	2.2
233.15421	1.2
249.18585	6.7
250.18738	0.8
267.19650	100.0
268.19971	10.2
275.16547	12.8
293.17596	69.3
294.17865	7.4
303.44794	0.6
311.18607	12.4
312.18820	1.6
350.96518	0.6
367.21265	7.5
368.21527	0.9
385.22308	59.1
386.22583	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	386.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.4
62.29968	5.0
70.22738	17.1
74.45759	5.1
89.01572	4.0
98.20461	5.3
111.42218	4.5
137.02350	10.9
142.00790	6.2
150.03163	7.8
169.10431	32.1
173.04424	5.5
179.10634	12.2
195.08405	36.3
213.09476	100.0
217.32851	5.1
278.31058	5.7
325.46466	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.8
57.20596	0.9
59.01022	0.8
59.01258	7.6
60.14045	0.8
60.55792	0.8
69.03322	1.7
71.01265	2.4
71.33420	1.3
73.02822	2.4
80.96136	0.9
81.03327	3.4
83.01246	6.3
83.04914	0.9
85.02818	1.2
87.04386	1.6
88.70135	0.8
89.02328	1.5
93.03320	1.5
95.01279	1.8
95.04891	5.4
97.02843	10.9
101.02320	1.7
105.54247	0.8
105.82548	0.7
109.02838	35.7
109.06461	1.4
110.03191	1.2
111.04453	0.9
111.08060	1.6
113.02285	0.8
121.02813	4.3
122.03616	1.3
123.04402	26.3
125.02344	21.2
125.09621	1.3
135.04401	2.4
135.08063	1.4
137.02338	11.5
138.03168	1.0
139.03902	5.5
143.10735	0.8
145.02869	1.8
146.03654	3.1
147.04469	0.9
149.02364	8.4
150.03093	1.7
151.03923	13.8
153.09201	1.1
155.10753	1.3
159.04440	5.1
160.05174	2.4
161.02339	1.5
161.05995	8.9
162.03128	3.4
163.03854	2.4
164.01018	4.6
165.01830	5.5
166.02641	0.9
167.03459	2.6
173.06032	1.8
174.03172	0.9
175.03943	2.4
175.07579	3.6
177.05559	1.3
179.03409	7.4
179.07045	2.3
181.12291	6.8
187.03893	7.6
188.04692	6.4
189.05484	0.9
191.07091	1.3
199.07587	2.1
201.05432	1.0
202.06291	2.6
203.07077	22.4
203.08887	1.5
204.07397	1.6
205.04991	14.0
212.04794	1.3
217.14397	1.4
221.08141	2.9
225.11212	8.5
227.07072	2.4
230.05759	1.6
231.02904	1.4
245.08153	25.4
246.08492	1.4
247.06036	2.3
257.11816	1.4
271.06192	1.3
285.20850	1.5
289.07169	100.0
290.07452	7.6
299.12885	3.1
305.59961	0.8
343.11850	15.5
343.15921	1.4
344.12222	1.6
351.21713	6.1
387.14532	41.4
387.23917	16.9
388.14725	7.1
388.24313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01751	0.8
56.52524	0.4
58.00464	0.7
59.01251	58.4
60.01604	0.9
69.87012	2.5
70.50897	0.5
71.01249	12.3
71.01617	0.8
72.99193	0.9
73.02818	0.6
83.01260	1.2
85.02819	2.9
87.00766	0.5
89.02312	11.7
89.02831	0.9
95.01263	1.4
96.96832	0.5
101.02322	7.4
113.02325	4.6
119.03388	4.8
125.02290	0.5
163.11131	2.9
177.87592	0.4
207.10201	13.3
208.10506	1.2
221.01433	0.4
279.56744	0.6
369.15479	0.9
382.80353	0.5
387.16602	100.0
388.16928	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30305	0.7
52.49876	0.6
52.87757	0.7
55.01770	2.3
55.84350	0.7
56.95587	0.7
57.03326	8.5
57.14777	0.6
58.00470	2.5
59.01249	100.0
60.01595	1.2
69.03336	2.4
69.46825	5.4
71.01252	48.7
72.01586	0.9
72.99193	2.5
73.02815	44.2
74.03166	0.9
74.69084	0.7
75.00755	1.0
83.01259	14.8
83.04915	1.0
85.02819	12.0
87.00771	2.0
87.04398	3.9
89.02311	22.8
95.01297	3.1
97.02864	1.2
97.06483	1.6
99.00793	2.1
99.04417	1.6
99.08044	1.9
101.02323	39.8
101.63477	0.9
108.73371	0.6
109.06509	2.8
111.08034	5.5
113.02322	14.2
113.09602	0.9
119.03370	8.8
121.10157	2.2
121.87524	0.7
122.06065	3.0
123.08037	1.7
125.02377	1.2
125.09603	4.2
127.07576	1.1
129.09174	2.4
131.03456	2.7
132.04497	1.6
136.88925	0.7
137.09656	3.0
139.07625	2.3
141.05484	0.8
143.03479	2.6
143.13841	0.7
149.04504	2.1
151.00443	0.9
153.09100	5.3
155.03413	1.9
155.10739	2.6
159.10211	0.8
161.04437	5.5
165.09119	28.6
166.09532	2.2
169.08614	11.1
169.09856	0.8
173.11847	2.7
179.05647	2.7
181.12343	1.2
182.08244	1.3
183.08656	0.8
183.10208	1.4
187.13461	1.1
217.14392	18.6
218.04961	0.8
221.06851	0.9
225.15099	2.4
285.20993	3.4
301.16531	1.2
311.10635	3.1
327.14667	1.7
329.19809	1.7
343.25116	3.1
345.15579	5.8
387.16171	18.2
387.21021	3.7
387.24258	23.3
388.17078	2.1
388.24615	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	1.8
56.80367	0.6
57.03286	4.2
58.00438	1.6
59.01252	15.5
69.03290	1.4
69.37140	2.4
69.37572	2.8
69.67632	0.6
71.01252	10.7
71.04858	1.0
72.99146	0.8
73.02821	19.6
83.01230	1.5
83.04850	1.4
85.02822	6.9
85.06419	1.2
87.04391	4.3
89.02338	4.2
89.62189	0.6
95.01234	1.0
95.04859	1.9
97.06471	3.2
99.00729	1.3
99.04377	1.6
99.08050	3.4
101.02329	5.0
101.05943	0.9
109.06439	2.7
111.00763	0.7
111.08026	3.7
113.02326	5.1
113.09531	0.6
118.11849	0.7
119.03364	1.0
121.06446	1.0
123.04429	0.8
123.08028	2.0
125.02348	0.6
125.09608	3.5
129.09093	1.3
135.08029	0.8
137.05934	0.8
137.09598	3.7
138.06699	1.9
139.11128	1.0
141.09070	1.1
143.10664	2.2
148.74477	0.6
153.09062	2.3
154.99721	2.5
155.10681	5.6
159.10194	0.9
161.04453	1.6
163.11206	8.9
164.11485	0.8
165.09084	0.9
167.10637	1.9
169.08655	3.3
169.12265	1.2
173.11621	1.1
181.12263	65.7
182.12630	4.2
183.04465	0.9
187.13348	2.6
195.13760	0.9
199.09720	0.8
207.10210	2.8
216.13666	0.9
217.14404	5.8
223.13409	1.0
225.05533	7.5
225.11278	100.0
226.05705	1.1
226.11665	6.6
249.11324	4.0
255.16075	1.7
267.12378	2.9
285.20755	2.5
307.22830	0.9
343.24884	4.1
357.22873	0.8
369.22934	1.1
387.20340	3.9
387.24014	52.4
388.24243	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.9
57.03323	3.9
58.00479	3.0
59.01251	66.8
69.03307	1.6
69.58195	1.1
69.58604	2.3
71.01253	47.2
72.01594	0.7
72.99171	4.3
73.02819	9.3
75.00730	1.6
83.01264	6.4
85.02824	15.0
87.00752	3.5
89.02316	34.3
95.00729	0.6
95.01247	3.6
97.02840	1.5
98.20458	1.0
99.00755	3.8
101.02321	31.8
111.00756	1.0
113.02331	19.3
119.02582	1.0
119.03394	14.6
120.03673	0.6
123.04414	2.2
125.02388	0.8
131.03418	1.0
133.53055	0.6
135.04459	0.6
137.09631	1.6
140.10724	0.6
143.03380	1.8
144.80115	0.6
149.04422	1.6
151.07588	1.1
151.11169	1.0
152.08215	0.8
159.02887	1.5
161.04497	4.9
163.11142	1.2
165.09087	2.0
179.05515	1.7
181.12267	0.8
183.02943	1.0
187.83943	0.6
188.03511	1.0
195.13776	1.1
197.15358	2.2
207.13869	2.5
225.14900	16.9
226.15323	0.8
267.08835	1.4
311.10358	3.1
355.09375	0.9
356.10190	0.7
374.82956	0.7
387.20242	100.0
388.20532	12.8
398.81573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	7.3
57.03319	7.4
58.00479	3.5
58.99471	1.7
59.01252	60.9
69.03345	1.5
71.01254	100.0
72.01604	2.1
72.99172	5.8
73.02821	29.4
75.00750	2.1
83.01257	13.2
83.04916	0.9
85.02825	41.0
86.03147	1.1
87.00756	9.5
89.02317	36.4
95.01270	6.1
97.02859	2.5
99.00767	11.9
101.02325	79.1
102.02683	1.3
102.98468	7.5
111.00773	1.1
113.02332	42.2
114.02684	1.4
119.03390	12.1
119.04795	0.8
123.08041	1.1
125.02335	3.4
129.01831	3.2
131.03406	2.1
137.09581	3.7
139.11052	0.8
143.03378	6.5
149.02431	0.7
149.04491	1.0
151.11211	2.2
159.02893	11.1
161.04466	39.9
162.04814	1.3
163.11229	0.9
165.12790	1.5
167.14313	1.9
167.63187	0.8
173.04503	1.2
179.05518	3.3
189.12715	1.0
191.05562	1.6
195.13792	2.2
205.03490	1.8
207.13908	1.7
225.05655	1.0
225.14908	40.5
226.15231	3.0
297.16980	2.4
311.10278	1.1
325.92828	0.7
387.20178	48.0
388.20453	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44499	36.1
59.01239	100.0
71.01225	67.6
94.74939	32.9
98.20649	80.6
123.00548	34.5
124.16853	39.3
124.38245	43.1
143.59074	43.2
154.93188	38.3
191.25212	46.3
229.98631	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
58.37542	0.4
59.01252	100.0
60.01587	1.3
63.00089	0.4
69.35754	3.9
70.02859	2.5
71.01268	1.4
86.27212	0.5
97.01571	3.3
101.02297	0.7
107.03641	0.8
107.18365	0.5
115.09617	0.5
120.04448	0.7
125.04710	0.6
142.31374	0.5
173.73495	0.5
209.19147	1.0
211.20601	2.9
215.69069	0.5
225.22307	1.9
227.20082	4.3
228.20383	0.6
233.19049	1.1
235.20567	0.8
235.50662	0.5
239.20255	1.1
250.21808	1.7
252.23312	4.4
253.21667	6.4
253.23737	0.4
254.21245	3.3
262.21756	8.5
263.20029	1.0
265.21429	0.6
268.22928	0.8
278.21286	7.0
279.21729	1.6
280.22812	61.4
281.23120	5.9
284.22342	0.6
292.22983	0.7
298.23996	0.9
310.24039	0.7
328.24835	2.8
395.29315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01252	100.0
60.01598	0.5
61.42293	0.3
70.02841	2.0
70.09624	1.7
71.01262	1.1
72.68553	0.4
72.99186	0.4
74.02348	0.7
77.17682	0.4
81.02135	0.4
82.02871	1.6
89.14597	0.4
96.47021	0.4
97.01571	0.4
100.03937	1.5
107.03669	0.9
109.01585	0.4
122.02391	0.8
209.19206	0.5
211.20596	2.1
225.22192	3.0
227.20105	6.0
227.22252	0.4
228.20569	0.4
232.63293	0.4
234.22374	0.5
238.21799	1.3
239.20219	0.5
250.21873	0.5
252.23245	4.2
253.21713	14.4
254.22089	1.4
262.21753	7.6
263.22137	0.7
264.23422	1.4
265.21796	0.5
266.21243	2.9
267.21704	0.5
278.21252	0.9
280.22818	16.0
280.25897	0.8
281.23196	1.5
292.22791	4.1
298.24020	0.6
310.23871	10.0
310.27164	0.7
311.24332	0.7
324.21817	0.5
325.97888	0.4
328.24915	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	389.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	12.1
67.27126	1.3
67.78542	1.3
70.77054	1.3
71.01236	6.0
71.32803	2.6
85.02823	3.7
89.02309	5.5
93.03329	4.5
101.02325	5.1
107.04903	5.9
111.04376	2.6
119.03361	2.5
128.12560	1.3
134.03630	3.1
135.04414	100.0
136.04736	4.5
137.02231	1.6
140.12865	1.3
173.04475	14.4
179.03412	20.0
185.00917	1.5
191.05559	22.9
204.42758	1.4
209.11702	2.9
302.89075	1.6
353.08725	20.0
354.09113	2.0
389.06464	3.9
389.18292	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	389.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.0
59.01255	3.5
60.99167	0.9
67.01760	4.8
69.03320	1.1
69.54360	0.4
70.26557	0.9
71.01259	4.0
73.02796	0.3
81.03336	1.1
83.04906	0.8
85.02819	3.7
87.00748	2.3
89.02273	0.4
91.05404	1.0
93.03334	29.5
94.03673	1.0
101.02294	0.4
107.04922	3.6
109.02830	1.4
111.00771	0.9
111.04403	4.9
113.02343	0.8
115.03876	0.3
121.43727	0.3
127.03883	1.2
134.03642	1.9
134.70569	0.3
135.04414	44.1
136.04700	1.6
137.02336	3.5
155.03398	3.5
161.02379	1.0
173.04471	100.0
174.04820	4.1
179.03421	11.0
180.03685	0.5
191.05540	39.9
192.05798	1.9
193.05063	0.3
202.84798	0.3
353.08762	31.3
354.09149	3.3
388.17102	0.3
389.06329	2.2
389.17230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	73.0
63.14841	18.4
152.09474	16.6
152.99466	100.0
159.96384	18.7
173.15564	18.7
229.85129	24.1
232.12175	23.3
241.17436	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80007	4.5
56.69008	4.2
59.01253	100.0
66.10918	4.2
66.83738	4.8
67.40750	4.7
70.23338	4.4
71.22602	10.8
80.22079	4.2
94.42317	4.2
100.10390	4.7
100.88582	4.2
102.98631	4.3
146.36945	4.8
152.99487	33.1
253.21706	11.3
367.64175	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57603	6.5
59.01250	100.0
70.25790	26.7
70.57860	6.4
77.54914	6.4
156.89194	7.9
169.98491	6.4
171.37619	7.4
193.68585	5.7
293.74246	7.0
365.87274	7.4
402.22580	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44622	0.4
59.01250	100.0
60.01582	1.8
63.46943	0.4
66.03365	0.9
66.29058	0.4
70.02868	1.0
71.01275	0.8
73.02827	1.0
88.09220	0.3
94.02844	0.6
96.04425	0.6
98.02364	3.1
100.03929	0.4
112.03947	0.7
264.53711	0.4
280.22940	0.6
328.25208	0.5
330.26483	12.4
331.26981	1.7
343.55508	0.4
391.15775	0.5
400.18610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01579	1.7
71.10274	1.9
72.99195	1.1
88.21915	1.0
98.02329	3.1
100.03938	1.5
113.79061	1.2
148.03862	1.0
211.20624	12.8
267.59442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01251	18.4
60.99182	0.7
63.16770	0.6
67.01770	4.0
69.03332	1.0
71.01255	6.9
71.51534	0.6
73.02831	1.6
81.03327	0.8
82.34766	0.5
83.01248	0.9
83.04889	1.0
85.02829	4.7
87.00755	2.4
89.02326	2.3
91.05437	1.2
93.03335	22.9
93.99043	0.5
94.03679	1.5
95.01277	0.7
99.00744	0.6
101.02334	3.2
107.04927	2.6
109.02875	1.4
111.04400	5.2
111.97766	0.5
113.02346	2.6
115.03920	0.5
119.03381	0.6
125.02338	0.7
127.03896	1.0
133.02840	0.7
134.03616	1.4
135.04417	39.3
136.04767	3.3
137.02345	3.9
140.33046	0.5
147.04405	0.8
153.20758	0.4
155.03410	3.7
161.02342	1.2
161.04472	0.7
168.76651	0.5
173.04475	100.0
174.04784	5.9
175.04956	3.8
179.03423	10.2
186.18536	0.5
187.13290	0.8
191.05550	41.5
192.05901	1.9
193.05966	2.0
205.46213	0.5
208.90399	0.5
217.88197	0.5
218.04570	1.0
229.36313	0.5
235.82106	0.5
259.11938	1.0
281.05637	0.7
282.06451	0.7
287.74304	0.5
297.09030	1.9
329.11411	0.9
331.17688	1.6
349.18729	2.2
353.08783	26.7
354.09253	3.0
355.09274	3.0
381.88773	0.6
391.06689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1914
Annotation	Xanthoangelol I
Peak:m/z	Relative Intensity
52.76962	0.6
59.01254	6.1
71.19514	1.0
71.19838	0.6
78.95781	0.6
93.03352	1.5
110.43790	0.7
118.57777	0.6
119.04916	100.0
120.05250	4.6
130.04134	2.0
143.04970	1.7
144.05670	0.9
145.02907	1.0
145.06477	2.8
157.06502	1.9
158.07098	0.7
159.04462	1.6
159.08020	1.6
161.02388	1.4
163.97346	0.8
187.03952	1.7
190.06310	0.7
201.05554	1.4
202.06310	0.9
227.14426	2.8
271.13367	10.8
272.13809	0.8
279.06680	0.9
289.14459	22.9
290.14828	2.1
293.53571	0.7
293.80490	0.6
391.19128	64.9
392.19492	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03329	2.0
58.00463	1.4
59.01252	100.0
60.01594	1.7
69.03303	0.7
70.20464	2.2
71.01254	36.2
72.99187	1.0
73.02820	16.3
75.00745	0.9
83.01248	6.5
83.04895	0.5
85.02827	12.9
87.00751	9.3
88.98699	1.9
89.02318	12.4
89.02840	0.9
95.01265	2.4
97.02831	1.3
99.00751	3.8
99.04382	0.6
101.02322	26.5
102.02627	0.7
103.32496	0.5
111.00767	6.8
113.02332	12.6
115.07543	0.9
115.96061	0.4
119.03390	4.0
125.02327	1.2
129.01826	0.8
130.77180	0.5
131.03413	0.9
141.01859	1.9
141.09116	21.0
142.09451	1.0
143.03429	1.9
143.10690	5.7
148.45290	0.6
151.00211	0.5
159.02887	2.6
161.04465	13.4
165.31891	0.5
167.10814	0.9
185.11749	0.7
187.09772	0.7
187.13438	0.9
189.14960	0.9
200.89493	0.5
209.49379	0.6
259.15500	1.3
301.16721	1.5
331.17596	4.4
349.18655	27.3
350.19046	2.3
371.02841	0.5
391.19821	1.7
391.26801	0.7
402.22571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68504	0.3
52.44513	0.4
59.01251	100.0
60.01587	1.0
71.01263	0.6
72.99193	0.5
73.02817	0.4
80.04329	0.4
98.19743	0.6
101.02348	0.7
105.78448	0.4
133.01309	0.5
172.88138	0.4
186.53610	0.4
229.16660	0.5
307.20090	0.4
412.03528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03328	1.9
58.00465	1.0
59.01253	100.0
60.01595	0.8
69.03343	0.8
71.01257	38.6
72.01597	0.4
72.01997	0.4
72.99189	1.5
73.02821	16.3
74.03170	0.3
75.00749	1.1
83.01261	6.7
85.02826	11.9
85.59888	0.3
85.99989	0.4
87.00757	11.4
87.01279	0.6
87.04403	0.8
89.02319	12.8
92.74306	0.3
95.01264	2.5
97.02856	1.2
98.19784	0.9
99.00767	2.8
99.04415	0.5
101.02326	28.6
103.00269	0.7
111.00780	1.8
111.04436	0.4
113.02335	14.4
114.02668	0.6
115.03933	0.5
115.07566	0.6
119.03391	5.1
125.02376	1.1
127.03893	0.4
127.11157	0.5
129.01837	0.9
131.03415	0.4
133.94495	0.4
141.01796	0.6
141.09117	18.9
142.09497	1.0
143.03400	1.7
143.10670	4.1
143.11528	0.3
149.04585	0.4
153.12808	1.3
159.02953	1.7
161.04471	14.0
167.10785	1.4
169.12292	0.7
171.13885	0.4
176.33884	0.3
179.05534	1.0
185.11804	0.8
187.09714	0.7
187.13356	1.4
203.05673	0.9
205.03545	0.4
211.13432	0.6
259.15454	1.7
283.15323	0.5
301.16647	1.0
331.17630	7.5
331.21310	0.5
332.18130	0.7
333.03491	0.3
349.18665	31.7
350.19028	2.9
391.19849	1.7
391.26956	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	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10829	0.4
59.01246	5.4
61.06112	0.5
61.98703	100.0
69.71851	0.9
69.72257	1.8
75.00755	2.6
88.72121	0.4
93.03329	0.5
95.04914	1.4
100.29493	0.4
132.09927	0.4
152.32793	0.4
239.33215	0.4
265.03973	0.6
293.21130	3.7
354.09927	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	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70590	0.3
59.01250	2.8
61.98705	100.0
69.72591	0.6
69.72994	1.3
101.95549	0.4
135.04602	0.3
150.96129	0.4
168.22624	0.4
179.50319	0.3
182.72861	0.4
303.04834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19040	1.2
51.52346	1.2
59.01245	3.7
65.99734	1.9
66.35157	1.3
67.01746	3.4
69.03326	1.4
69.94566	6.8
71.01247	3.0
81.03289	1.3
85.02811	6.4
93.03333	23.4
98.19827	1.6
109.02813	2.1
111.04371	4.3
119.04892	3.7
133.02831	4.6
134.03596	2.7
135.04430	3.6
136.33008	1.6
137.02330	5.8
139.03917	2.0
146.03477	2.0
147.04410	48.4
148.04686	2.6
149.74928	1.4
151.03899	2.2
155.03374	4.4
173.02301	2.9
173.04466	82.7
174.05556	28.4
178.02567	3.7
179.03265	1.5
191.03461	4.9
191.05524	31.6
200.03458	11.8
209.01830	1.3
212.05510	5.2
218.04524	100.0
219.04799	6.1
392.09903	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	1.9
66.50093	1.4
69.66866	8.7
77.38273	1.6
80.02415	1.5
85.02817	3.0
93.03330	12.5
98.20511	2.1
111.04417	2.5
127.03746	1.6
133.02824	2.5
134.03616	2.0
135.04396	3.9
137.02328	3.9
147.04422	29.7
155.03374	2.5
163.21410	1.7
173.04472	69.5
174.05560	28.4
178.02573	2.8
179.03369	1.9
191.03522	4.5
191.05528	24.0
192.19128	1.4
200.03496	13.8
212.05568	6.7
218.04529	100.0
219.04865	6.7
233.38887	1.6
392.09897	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01388	0.6
58.84471	0.5
59.01253	100.0
60.01585	1.1
69.03319	0.5
69.44546	0.6
69.48357	0.6
70.44070	1.8
71.01263	2.4
73.76626	0.5
79.62486	0.6
87.61153	0.6
89.02340	1.6
94.34668	0.5
95.01321	0.5
98.57590	0.5
101.02327	1.2
109.02860	0.8
119.03390	0.6
151.83167	0.6
179.05559	0.7
181.17535	0.6
213.14925	4.1
301.21997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30378	28.1
69.53014	100.0
69.53444	98.7
76.06131	27.5
77.12920	26.5
170.91183	30.0
178.86958	31.4
215.37247	26.4
261.96640	41.2
274.12128	28.8
369.54062	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34229	1.3
52.27289	1.2
53.63395	1.2
57.03315	3.6
59.01250	92.0
59.75777	1.6
64.79949	1.3
69.03333	2.4
69.75217	3.6
69.75640	5.9
71.01262	1.9
71.04892	11.6
73.02799	1.4
83.01266	3.1
83.04881	2.8
85.02819	4.2
87.04388	5.1
93.03342	1.4
97.06467	1.6
98.19769	1.6
103.00256	43.6
118.50237	1.5
123.04369	2.7
123.07989	2.4
125.05963	5.3
128.11703	1.2
129.09097	1.7
133.02841	17.5
134.03658	1.4
135.04431	9.7
135.11717	1.4
139.26947	1.5
147.06541	24.2
151.07515	4.2
161.02348	100.0
162.02701	4.5
173.04425	1.8
179.03413	6.3
179.10710	1.8
181.12173	1.6
189.07645	7.5
189.09058	1.9
189.12723	2.8
193.04996	1.7
209.11768	1.9
216.13605	1.8
217.14348	4.8
233.11765	3.4
245.17500	5.2
291.08676	7.8
292.08432	1.7
309.09747	3.9
351.25385	2.8
364.31012	1.6
377.23187	4.5
395.24402	23.6
396.24777	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	397.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.3
59.01238	7.8
67.01752	4.3
69.21227	11.4
71.01247	4.5
81.03320	1.4
83.11060	1.0
85.02824	2.2
93.03335	26.4
99.04440	1.2
108.94351	1.1
109.02812	2.3
111.04418	5.8
119.04945	6.3
121.02802	2.4
125.02341	2.6
135.04428	1.4
137.02324	5.7
149.02345	19.5
150.02614	1.1
155.03432	5.7
163.03925	7.0
164.04712	11.1
165.52232	1.2
173.04474	100.0
174.04868	3.4
179.06979	1.4
191.05559	8.5
204.89960	1.2
207.05048	2.1
223.06070	15.6
388.08377	1.3
397.11124	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	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39320	0.4
55.39835	0.3
57.03307	1.1
59.01255	1.8
60.99155	0.9
65.03831	0.5
67.01764	7.8
69.03310	1.3
69.69060	2.3
71.01252	3.5
81.03331	1.5
83.04887	1.0
85.02816	1.2
87.00778	0.4
88.61491	0.4
93.03333	40.4
94.03661	1.6
109.02827	1.2
111.00774	0.6
111.04398	6.0
113.02316	0.4
118.62798	0.4
119.04901	0.4
121.02846	4.9
127.03954	0.5
137.02347	5.6
143.96849	0.3
147.04436	1.3
149.02345	25.3
150.02692	0.9
155.03412	4.4
164.04700	8.6
165.04997	0.4
173.04468	100.0
174.04810	5.4
179.07108	0.7
191.05513	0.7
223.06065	14.6
224.06412	1.0
239.46669	0.4
261.07129	0.4
397.11441	1.4
398.12155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65369	0.3
56.91517	0.4
57.03326	1.0
57.03936	0.3
59.01254	3.1
60.99158	0.7
67.01764	5.8
69.03323	1.3
71.01254	3.7
72.48935	0.3
73.02821	0.6
76.92570	0.4
81.03328	1.4
82.49122	0.3
83.04884	1.7
83.92351	0.4
85.02814	2.3
87.00750	1.6
89.03836	0.4
93.03337	34.0
94.03677	1.0
99.00774	0.4
99.04371	0.5
103.03896	0.4
109.02827	0.9
111.00763	1.1
111.04413	5.8
115.03923	0.4
117.03265	0.4
119.04907	3.0
119.95759	0.4
121.02845	2.7
127.03860	0.8
131.93666	0.3
132.02068	0.4
137.02354	5.2
140.05377	0.3
145.02766	0.7
147.04431	1.2
149.02350	21.1
149.46326	0.3
150.02676	0.7
155.03413	4.9
163.03918	2.4
164.04704	13.7
165.03867	0.4
165.05058	0.7
173.04475	100.0
174.04813	4.9
179.07053	1.5
179.79291	0.4
191.05556	12.8
207.05055	1.7
218.87543	0.4
223.06084	13.6
224.06393	0.7
397.11438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
50.89025	0.4
57.03315	0.6
59.01245	0.9
64.80170	0.4
67.01769	0.4
70.21966	0.5
71.01261	1.1
71.51963	0.7
71.52348	0.4
72.37419	0.5
81.03342	0.7
83.04921	1.1
85.02833	1.2
87.00742	0.4
91.05463	0.7
93.03339	5.9
110.94472	0.4
111.04385	3.3
112.69868	0.4
117.03351	1.2
119.04922	1.1
121.02844	11.1
127.03924	0.5
129.01830	0.7
132.02087	1.3
135.04396	0.5
145.17670	0.4
147.04419	5.4
149.02356	73.5
150.02705	3.3
155.03398	3.5
163.03937	0.9
164.04710	49.9
165.05064	2.5
173.04482	11.9
174.04826	0.7
179.07040	3.5
190.97476	0.4
191.03917	0.7
191.05554	6.4
196.99260	0.5
223.06075	100.0
224.06415	6.5
263.38522	0.4
397.11258	4.4
398.11636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19382	1.6
55.01753	4.3
57.03294	2.5
58.00460	3.7
59.01251	100.0
67.01750	1.5
69.03310	5.9
71.01254	97.2
72.99181	7.9
73.02825	18.8
75.00749	2.6
80.19080	1.4
81.03315	4.5
82.00505	1.6
83.01250	7.4
85.02828	18.2
87.00748	18.4
89.02316	70.5
91.03883	3.4
93.42603	1.8
95.01261	6.9
97.02831	17.1
97.73793	2.2
99.00749	7.0
101.02324	67.8
102.02656	2.4
111.04409	5.0
113.02335	31.3
115.03883	3.0
119.03408	27.4
119.70329	1.6
121.02863	2.8
125.02333	17.2
127.03780	1.9
131.03423	3.7
133.04959	6.0
139.03920	2.1
143.03398	10.7
161.04482	11.9
169.04971	1.7
179.05539	5.0
217.07143	1.8
221.06648	2.8
231.93443	1.7
235.08186	21.4
245.06572	2.1
249.19154	1.8
253.09125	2.1
302.42886	1.7
379.12640	4.0
397.13489	74.9
398.13861	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	398.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32843	0.3
59.01246	3.3
69.24710	2.0
69.25124	1.2
71.01265	1.8
72.12030	0.3
73.02821	0.7
83.01247	0.5
85.02815	0.4
88.31185	0.3
88.63455	0.3
89.99317	0.4
101.02290	0.8
104.04957	1.5
106.06503	100.0
107.06831	3.9
111.00759	0.5
113.02364	0.9
118.06502	3.7
120.08081	1.1
122.87125	0.3
125.02317	0.6
146.06046	1.0
150.05508	83.4
151.05869	4.2
155.03490	0.4
162.05487	0.6
164.07083	13.8
165.07320	0.8
174.35934	0.3
179.52771	0.4
192.06595	10.4
193.06940	0.9
194.04521	11.3
195.05011	0.3
236.05727	0.9
276.53458	0.4
397.61035	0.4
398.10785	2.4
399.11862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07691	0.9
55.01741	4.4
57.03322	15.5
59.01242	2.7
67.01746	1.9
69.58766	2.6
69.59179	3.7
71.01250	6.7
73.02805	2.1
75.00732	1.3
83.01252	8.1
83.45233	0.9
84.02038	2.3
85.02822	100.0
86.03137	3.1
98.20509	1.8
101.02319	3.2
111.00764	29.3
117.03355	1.0
129.01831	45.0
130.02164	1.5
134.03638	11.0
135.04016	0.9
147.02870	1.1
147.55771	1.0
149.05951	1.3
161.04408	2.8
162.03116	1.1
173.00793	1.2
175.11192	1.2
177.04070	1.4
187.02376	1.8
193.04965	8.4
195.06525	2.3
205.03461	28.3
206.03758	1.3
223.04535	20.2
268.07950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	13.6
57.97871	2.2
59.01244	4.3
59.84322	2.6
71.01254	4.4
71.21771	4.4
75.00761	4.0
76.47164	2.5
83.01272	11.7
84.69057	2.2
85.02822	100.0
91.83358	2.4
100.01735	2.7
100.02377	2.3
101.02312	5.8
111.00763	28.6
114.01315	2.1
119.00980	2.4
129.01842	45.6
134.03615	12.3
187.02402	3.0
193.04948	7.5
205.03491	32.0
223.04524	39.7
224.04774	2.7
228.75578	2.8
339.42978	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70865	0.6
55.01753	3.4
56.67997	0.6
57.03324	18.4
59.01254	3.0
65.95997	0.7
67.01752	1.2
68.99676	1.1
70.06042	2.9
71.01243	5.9
72.99180	2.2
73.02810	2.2
75.00722	1.8
75.03197	0.7
83.01259	9.7
84.02042	2.4
85.02822	100.0
86.03148	2.1
93.03313	1.2
95.01314	0.6
99.00758	1.5
101.02322	4.2
109.02829	0.8
111.00767	28.2
117.03330	1.3
125.02266	1.2
129.01831	34.8
130.02190	0.7
134.03629	11.4
136.98787	0.6
137.02333	0.9
149.02318	1.3
149.06007	1.1
153.01845	0.9
160.01526	1.1
160.08861	0.6
161.04469	2.3
173.00842	0.7
173.04460	3.1
175.03966	1.4
175.11201	1.7
177.04007	0.7
178.02641	2.1
187.02425	1.3
191.05547	2.7
193.04971	7.5
205.03481	24.0
205.05449	1.3
206.03963	1.2
206.99261	1.8
219.10281	1.7
223.04536	17.9
224.04924	0.9
399.16266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12456	0.8
55.01751	2.3
57.03328	12.7
57.66259	0.9
59.01258	6.2
61.98706	36.3
67.01749	1.4
68.99696	1.5
71.01248	8.9
71.28467	1.9
72.99190	2.2
73.02847	1.5
75.00747	2.8
77.82619	0.8
83.01260	6.1
84.02029	1.9
85.02827	82.7
86.03147	2.2
87.00758	1.7
89.02310	1.2
93.11961	0.9
99.00706	1.0
101.02335	6.2
101.77023	0.9
103.03921	1.2
111.00776	30.8
113.02311	1.1
119.03339	1.1
119.88726	0.9
129.01839	33.2
130.02127	1.5
134.03647	9.8
147.02864	2.0
149.06067	1.1
161.02461	1.7
161.04437	2.0
166.05151	1.0
175.11179	1.6
177.01917	1.2
179.05537	1.2
187.02380	2.2
193.04973	3.5
195.06763	1.0
205.03488	33.6
206.03764	1.6
219.10173	1.5
223.04555	100.0
224.04808	4.8
233.04298	1.1
241.03975	1.0
277.03543	2.1
319.04721	2.0
399.08655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03313	1.8
58.00463	3.6
59.01253	61.8
64.44782	0.6
69.03311	1.8
71.01255	35.4
71.53400	0.9
72.99170	4.1
73.02811	2.9
75.00697	0.8
79.94280	0.6
82.78120	0.6
83.01274	3.4
83.04897	4.1
85.02339	1.1
85.02823	10.6
87.00727	1.7
89.02319	26.2
91.05408	1.9
93.03328	1.4
93.06984	3.4
95.01269	3.3
99.00745	2.1
101.02322	19.5
106.59613	0.9
113.02333	12.2
119.03402	9.4
119.04920	1.1
121.02827	1.9
123.07977	0.9
125.02310	1.1
131.03326	1.0
133.10123	4.9
135.04440	1.2
142.11653	0.9
143.03445	2.0
145.06503	6.5
149.04523	1.1
157.10124	2.6
158.07283	1.2
158.25047	0.7
159.08047	5.3
160.08852	52.3
161.04504	5.8
161.09233	3.3
173.04486	1.3
173.09645	11.0
175.11205	86.6
176.11552	5.5
179.05536	1.4
219.10217	100.0
220.10524	8.3
251.11349	16.3
263.07666	1.1
281.08899	2.3
399.16626	56.8
400.16873	6.3
400.90555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77183	0.3
58.90419	0.2
59.01252	5.2
63.66705	0.2
69.03342	0.3
69.18212	3.0
71.01259	2.6
72.23186	0.3
73.02823	1.7
83.01267	0.5
85.02813	0.9
93.03324	0.5
95.01208	0.3
101.02333	1.1
102.57391	0.3
108.08073	100.0
109.08426	3.4
113.02328	1.0
119.03677	1.3
120.08079	4.2
122.09608	0.3
125.02332	1.0
130.06522	0.3
132.08063	1.8
134.05989	0.5
135.04448	0.3
136.07571	0.4
137.02339	0.9
138.03191	0.3
139.00241	0.4
141.01833	0.3
148.07571	1.8
149.04796	0.5
150.09142	0.3
152.07080	81.2
153.01768	0.4
153.07426	3.5
155.03441	0.4
163.83694	0.3
164.07101	1.3
165.01781	0.6
166.08647	19.6
167.08984	1.1
173.04474	1.6
176.07124	0.8
179.03400	0.3
179.22632	0.3
191.05476	0.6
192.10182	0.5
194.08168	10.1
195.08463	0.6
196.06085	45.3
197.06444	2.3
204.31564	0.2
238.07188	5.9
239.07321	0.5
280.08630	0.4
301.11050	0.3
340.10333	2.8
383.11206	0.5
400.12537	3.4
401.12634	0.5
401.22037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69329	4.4
59.01236	15.6
69.03333	5.1
69.51353	29.8
71.01261	12.5
72.99186	17.1
77.03848	5.3
81.03357	11.3
83.04889	11.6
85.02842	16.0
87.00747	10.6
93.03343	47.3
95.04881	5.4
108.02094	4.9
109.02840	32.1
111.04406	19.9
121.02822	11.2
127.03892	4.9
137.02341	30.7
139.03935	5.9
151.03918	7.5
153.01862	25.7
155.03444	11.2
165.01837	15.1
173.04468	100.0
174.04814	6.8
183.02899	14.2
189.03870	5.1
190.99811	8.4
191.05560	81.6
192.05901	6.1
209.00858	18.0
227.01961	11.1
246.53082	5.6
303.28229	6.1
401.07330	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	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.8
57.03318	1.6
59.01252	28.2
60.82391	1.1
63.29108	1.2
64.24654	1.3
69.03325	4.0
69.03708	1.0
70.71912	3.9
70.72256	1.3
70.96753	1.1
71.01257	11.8
73.02823	25.2
83.01265	4.8
83.04884	2.2
85.02818	4.5
87.00729	1.7
89.02338	2.7
89.85057	1.3
93.03314	2.2
95.04903	2.6
97.02849	3.7
99.00774	1.4
99.04372	2.4
101.02335	9.6
107.08521	1.4
109.02815	2.5
111.04398	2.4
113.02327	4.5
118.63606	1.2
118.66152	1.4
123.04351	2.4
125.02337	4.6
125.09605	2.2
133.10139	6.4
135.04375	3.1
135.08067	11.9
137.02359	3.4
138.03123	1.5
153.09128	100.0
154.09460	5.0
155.10577	2.2
165.01860	1.9
167.10687	1.5
173.04482	4.9
177.09119	3.1
179.03403	1.8
191.05600	4.7
195.10197	3.3
197.08147	89.5
198.08446	5.0
221.08174	4.6
239.09207	3.2
266.06912	2.2
281.09387	3.1
307.07602	1.5
325.07962	2.1
343.17496	1.4
349.21976	1.2
369.07098	1.5
401.22015	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	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01754	6.1
57.03315	8.4
58.00474	2.4
59.01251	66.8
69.03326	1.9
70.02629	4.9
70.03020	4.5
71.01252	47.9
72.99185	3.6
73.02808	10.8
83.01260	12.4
85.02821	25.9
89.02317	24.0
95.01279	4.6
99.00760	5.3
101.02330	40.3
101.02998	2.9
113.02334	19.6
113.34071	1.8
119.03407	5.7
121.06456	1.9
123.08075	7.6
157.97517	1.9
175.11298	2.0
177.12775	11.9
182.41373	1.8
184.82043	1.6
195.13802	6.5
221.11784	7.0
312.67603	2.0
387.45035	1.9
401.18164	100.0
402.18726	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.52033	0.6
55.01758	3.0
56.36446	0.5
56.93613	0.5
57.03318	3.4
58.00475	1.0
59.01253	29.9
66.12298	0.5
69.03300	0.7
69.86832	2.2
71.01256	37.7
72.01586	0.5
72.99181	1.1
73.02819	13.2
83.01266	7.7
85.02825	19.9
86.03156	0.9
86.41242	0.6
87.00765	2.1
88.98695	0.7
89.02319	10.1
95.01271	3.0
97.02842	0.8
98.19889	0.9
99.00758	5.1
101.02327	30.4
109.02847	0.9
111.00770	0.9
113.01527	0.8
113.02332	15.8
119.03389	3.4
123.08030	0.6
125.02383	0.8
129.01822	1.0
135.08058	0.8
135.69376	0.6
139.45970	0.5
141.80640	0.5
143.03387	1.5
149.04440	1.2
159.02902	2.1
161.04472	8.3
173.04422	1.3
177.09187	1.6
177.12704	0.8
191.05559	3.1
195.13872	4.6
214.75893	0.5
221.11778	1.5
222.14619	0.5
271.81158	0.6
277.69205	0.6
281.10379	1.5
357.19385	0.7
401.18158	100.0
402.18527	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	402.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00200	1.6
57.03303	1.4
59.01252	100.0
59.30626	1.3
60.01600	2.0
65.99722	1.3
68.99678	1.9
70.02845	3.0
70.25551	5.1
72.99164	2.8
86.02314	7.1
94.02857	3.4
96.00781	6.0
98.02360	5.5
102.01853	80.2
103.02163	1.5
109.02995	1.2
110.02367	59.9
111.02730	1.9
114.01866	12.2
121.02815	1.8
122.02386	17.6
128.03430	3.7
140.03427	11.5
142.73361	1.5
158.00877	3.1
168.13133	1.3
190.35754	1.3
209.19032	1.3
223.20685	1.8
224.20332	1.3
239.20131	8.1
252.19765	2.2
266.21243	7.2
276.19656	2.0
294.20682	5.3
304.80121	1.2
310.20245	14.2
311.20596	1.9
312.21710	3.1
340.21390	6.6
342.22891	26.6
343.23077	3.5
354.19266	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	402.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01588	0.7
62.95990	0.6
67.83866	0.5
69.53806	3.7
71.01267	1.5
86.02383	1.8
94.70771	0.5
117.66386	0.6
121.02862	1.0
141.12737	0.6
146.40765	0.5
177.90126	0.6
225.22162	3.6
248.23889	2.5
252.23308	0.6
253.21741	3.6
255.23361	2.1
260.23843	3.2
264.23425	2.2
276.23325	1.4
278.24893	3.8
280.22858	1.3
294.24362	3.8
294.84872	0.6
314.27057	9.0
315.27362	1.0
342.26505	32.8
343.26733	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	403.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12849	1.8
57.03336	2.0
58.93561	1.8
59.01250	22.8
67.01763	10.1
67.81531	2.4
69.03320	1.8
70.53167	6.4
71.01257	11.1
72.99179	39.7
81.03332	5.3
85.02829	21.8
87.00750	10.3
89.02302	6.6
93.03338	56.5
94.03679	2.5
95.04906	2.9
101.02315	4.1
108.01996	2.6
109.02844	9.5
111.04388	8.2
121.02838	5.5
123.00763	5.1
123.04400	8.0
124.01586	4.0
125.02300	2.3
127.03886	4.7
136.01561	5.6
137.02345	57.7
139.03905	10.5
149.02283	10.6
155.03366	2.6
157.04987	4.0
165.01852	2.8
167.03415	11.4
173.04453	45.2
174.04869	2.3
191.05539	100.0
192.05862	6.4
193.01331	6.7
247.04521	8.9
353.03253	1.8
371.12274	2.0
385.07782	2.2
403.08582	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	403.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84100	1.9
59.01244	18.4
62.27568	2.1
67.01769	5.5
69.03325	3.1
71.01257	7.7
72.99183	26.5
81.03326	5.6
83.01370	1.8
83.04907	3.1
85.02817	17.3
85.76425	1.8
87.00767	6.6
89.02301	5.8
93.03333	35.0
95.01283	2.9
95.04880	4.7
97.02863	3.3
97.06522	2.5
98.19847	4.9
101.02322	3.1
102.34422	1.9
109.02838	11.1
111.04403	10.1
115.00264	2.9
121.02850	9.4
123.00748	4.8
123.04403	19.6
124.01591	2.9
125.02313	4.3
135.04442	1.9
136.00615	1.9
136.01549	1.8
137.02347	38.1
137.09723	1.8
138.02786	1.9
139.03903	12.2
149.02367	13.8
151.03902	2.7
153.01758	2.6
155.03438	4.6
157.05000	10.1
165.01836	3.4
167.03410	41.8
170.10464	1.8
171.02887	5.6
173.04477	100.0
174.04861	5.9
183.02815	2.0
185.04486	3.4
189.03999	4.4
191.05547	92.2
192.05901	5.5
193.01343	8.5
211.02411	6.9
229.03462	7.0
230.04642	2.4
247.04599	5.5
276.67682	2.0
403.08798	5.7
403.19754	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	403.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	41.9
61.15100	4.7
70.43482	9.0
70.43845	7.6
71.01258	6.9
72.99168	31.2
85.02817	20.7
87.00745	5.2
88.55944	5.0
93.03348	26.4
95.04918	10.3
101.65236	3.9
105.03320	6.3
106.78796	4.4
107.36908	4.8
109.02819	5.4
111.04436	6.9
121.02831	19.1
123.00820	5.1
123.04391	17.5
137.02328	34.8
139.03905	18.7
142.51540	5.1
145.92162	4.5
149.02301	21.0
151.03917	6.1
167.03401	30.6
173.04460	36.6
191.05553	100.0
193.01308	15.4
195.02884	4.8
247.66196	5.0
271.53937	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
59.01257	5.3
59.30976	0.4
67.50613	0.4
71.01250	2.4
71.21324	0.4
71.52242	0.4
71.52621	0.7
72.99184	0.7
73.02825	2.4
80.04928	1.6
85.02812	0.9
88.17604	0.4
89.02311	1.5
93.03345	0.8
94.06508	0.6
101.02309	2.0
101.06006	0.4
103.66152	0.4
104.04935	1.0
106.02872	0.6
106.06552	0.5
107.03642	0.5
108.04417	1.1
115.07535	0.7
116.04973	0.5
118.02948	0.4
119.03571	0.6
120.04453	0.8
122.06006	7.4
124.07569	1.9
125.02372	0.6
125.09630	0.6
130.02852	2.8
132.04445	15.9
133.04796	1.2
134.05907	0.5
135.04335	0.5
137.02310	0.9
137.09648	1.6
146.02399	1.2
146.06001	1.2
147.03183	2.8
148.03943	1.7
150.05536	4.2
155.10674	5.4
158.02385	7.6
158.06093	0.5
159.03008	0.6
160.03957	9.1
161.04721	2.6
162.05458	3.4
164.07011	0.8
165.09177	0.5
172.11327	0.7
173.04543	1.1
174.01637	0.6
174.05525	1.2
176.03461	8.7
176.07069	4.0
177.03806	0.9
180.08141	0.6
182.05983	0.7
183.09196	1.6
184.07626	2.1
185.07152	0.7
186.04211	0.7
188.03398	0.5
190.05031	17.7
191.05679	2.0
192.06525	1.2
195.09180	0.9
196.11290	1.9
197.04688	0.7
197.11787	0.6
198.04277	2.1
198.09242	0.6
199.05023	1.0
199.09865	3.8
204.02887	1.5
209.07047	2.3
209.10742	0.6
210.41272	0.4
211.04970	1.1
211.08708	1.4
211.12332	5.4
212.05627	3.3
212.10895	3.3
213.06638	1.3
213.10483	0.8
215.11853	5.3
216.05470	0.8
220.02434	1.8
223.04797	0.8
223.08682	4.1
224.07245	1.5
224.09451	12.0
225.06529	1.8
225.08034	1.5
225.09938	1.1
226.07333	4.4
227.08223	7.4
228.08800	0.8
230.07249	0.8
234.04031	2.9
235.04915	0.8
237.10344	1.2
238.08650	1.9
239.04593	2.1
239.08301	3.6
239.11867	26.8
240.05261	0.7
240.10519	7.1
240.12321	2.8
241.09769	11.8
242.10211	0.8
250.07390	2.4
252.05470	1.7
253.06160	24.2
253.09807	1.7
254.03621	0.8
254.06821	4.9
255.07761	4.3
255.11360	7.5
256.08527	2.1
265.06281	0.6
265.09778	3.4
266.07654	1.8
267.07758	7.8
268.08487	12.8
269.08926	1.7
271.07153	0.9
272.12845	0.7
273.13522	0.6
281.09277	9.0
282.09540	0.9
283.10880	67.8
284.11234	6.7
287.10434	1.8
294.06549	1.3
309.08807	24.9
310.09140	2.7
311.06903	1.0
315.13306	1.5
327.09854	54.7
328.10211	6.4
341.11356	4.7
342.11835	0.6
353.07669	3.5
359.12466	5.5
371.08823	64.9
372.09161	7.5
403.11441	100.0
403.23462	6.9
404.11838	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.0
63.98661	0.9
65.56522	1.0
69.23446	8.8
71.01254	1.9
73.02817	2.4
80.04918	2.8
89.02301	1.5
97.06513	1.1
98.20598	2.4
101.02293	1.6
102.01975	1.0
104.04925	1.6
108.04435	1.5
113.02267	1.1
120.04420	1.9
122.06015	8.3
124.07557	1.7
130.02853	3.8
131.03687	1.7
131.19141	1.1
132.04448	20.1
133.26035	1.1
137.09590	3.8
144.51575	1.1
146.02386	2.6
146.06033	1.5
147.03120	5.0
148.03888	2.6
150.05502	4.4
155.10687	7.6
158.02371	9.2
160.03967	12.5
161.04585	1.9
162.05605	5.2
172.11320	1.3
174.05452	3.4
176.03442	11.0
176.07050	3.0
182.06000	1.4
183.09233	2.2
184.07648	2.5
190.05029	22.4
191.05518	3.5
194.08560	1.2
196.11339	2.4
198.04260	2.1
199.05072	1.4
199.09732	7.3
209.07111	4.2
211.08737	1.8
211.12393	7.4
212.05795	4.5
212.10785	5.2
213.06601	2.2
215.11838	5.2
220.02516	1.6
223.08740	6.0
224.07402	1.4
224.09500	18.0
225.07982	3.3
225.09871	1.6
226.07321	5.2
227.08249	6.9
228.05247	1.4
234.04085	1.9
235.04926	2.5
237.10294	1.9
238.08740	3.0
239.04597	2.0
239.08093	3.6
239.11859	33.2
240.08537	1.5
240.10188	8.8
241.09740	13.1
242.10001	1.6
250.07385	2.5
252.05394	2.7
253.06140	31.0
254.06644	3.9
255.07767	4.1
255.11313	9.4
256.08716	2.9
256.11514	1.6
265.09732	4.0
266.06995	1.5
267.07758	9.4
268.08472	13.7
269.08630	1.5
281.09305	10.1
283.10873	77.6
284.11212	8.4
309.08786	20.0
310.09012	2.6
315.13605	2.4
327.09857	82.1
328.10159	9.5
341.11328	2.1
353.07806	3.6
359.12405	3.1
371.08832	100.0
372.09088	13.6
403.11447	46.0
403.18613	1.2
403.23471	13.5
404.11902	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	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62012	2.1
57.03320	1.9
59.01255	17.4
60.86209	1.7
61.98698	1.7
62.84729	1.7
69.54842	11.5
71.01241	7.3
73.02833	10.1
80.04954	2.6
81.03313	1.7
85.02870	2.7
87.04382	2.9
95.13736	1.9
99.00746	2.0
101.02307	4.2
109.02800	2.9
122.06007	7.6
124.07580	3.0
125.02341	8.0
127.11153	2.1
129.54655	1.9
130.02864	2.7
132.04445	23.9
135.08061	2.7
137.02303	4.3
137.09624	18.1
139.03879	2.8
147.03151	5.3
148.03941	2.0
150.05528	4.0
155.10684	100.0
156.10963	4.1
158.02376	7.7
160.03893	12.7
162.05525	3.6
165.01830	1.8
168.94257	2.2
174.05650	2.3
176.03452	10.9
176.07162	3.9
179.03348	3.1
190.05037	23.0
191.05585	3.0
191.07176	1.9
192.06569	2.2
196.11212	2.2
199.09698	70.9
200.10066	5.7
209.07294	2.4
211.12355	5.1
212.05803	5.7
212.10757	3.8
215.11841	6.9
220.02504	2.6
223.08647	4.2
224.09491	15.9
225.08076	3.5
226.07434	4.2
227.08224	6.5
234.03992	4.3
239.08211	3.3
239.11862	29.8
240.10378	9.8
240.12302	2.8
241.09804	10.8
253.06139	30.3
253.10040	2.1
254.06497	2.2
255.07712	4.3
255.11336	7.5
265.09781	4.5
267.07816	10.0
268.08466	11.6
281.09323	5.1
283.10892	68.4
284.11145	6.7
300.64975	2.1
305.06451	11.4
306.07010	2.6
309.08838	19.8
310.09085	2.7
315.13214	2.5
327.09845	88.6
328.10287	10.2
341.11246	4.6
353.07779	4.6
359.11731	4.4
371.08841	63.8
372.09210	11.0
403.11337	50.8
403.23676	15.8
404.11856	5.8
404.23804	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	403.1396
Annotation	[3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,10,11,11a-decahydro-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester  2-methyl-2-propenoic acid
Peak:m/z	Relative Intensity
57.84236	0.7
59.01250	100.0
60.01588	1.2
60.55441	0.6
66.14526	0.7
69.48141	5.1
70.87223	0.7
73.94667	0.7
75.38441	0.7
99.07568	0.8
167.31415	0.7
196.83372	0.9
311.97000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73870	0.3
57.03334	0.5
58.00473	0.4
59.01250	10.2
70.01066	0.8
70.01457	0.9
71.01257	3.5
71.44603	0.3
73.02823	7.3
73.03197	0.3
83.01260	0.8
83.04885	0.4
85.02856	0.8
87.04398	0.6
89.02353	0.4
89.59264	0.3
95.09321	0.3
97.02821	0.4
101.02319	2.6
108.75875	0.4
113.02295	0.8
125.02386	0.9
131.43513	0.3
135.08060	2.9
137.02284	0.4
137.09622	20.1
138.09958	0.9
146.54054	0.3
151.11176	0.4
155.10681	100.0
156.11020	5.4
161.04485	0.4
169.12257	1.0
179.10680	0.3
181.08626	4.0
199.09688	60.5
200.10020	3.2
213.11191	0.4
241.10788	4.1
283.10818	1.1
309.08813	0.4
327.09763	0.9
361.22073	0.6
371.08783	0.8
403.11533	0.4
403.23511	2.5
409.75262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28306	0.6
57.29412	0.6
59.01241	3.9
69.34366	2.9
69.34791	1.6
71.01259	1.5
73.02819	3.6
76.89896	0.5
85.02814	0.7
87.04414	1.8
98.65140	0.5
101.02300	1.5
113.02366	0.9
125.02345	1.0
132.89401	0.6
135.08051	2.2
136.01726	0.5
137.09618	13.2
137.10632	0.9
138.09933	0.6
155.10681	90.1
156.11006	4.9
169.12285	1.7
170.12634	0.6
174.18036	0.5
181.08630	1.8
187.30171	0.5
199.09688	100.0
200.10034	6.3
213.11227	1.8
224.09515	0.8
241.10759	6.0
242.11110	0.8
253.06226	0.6
283.10797	2.0
305.06754	1.0
316.77460	0.5
327.09839	2.1
371.08896	1.7
403.11465	0.9
403.23276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58059	0.4
57.03323	1.1
57.34666	0.5
58.00474	0.7
59.01250	8.0
64.65687	0.4
66.98660	0.4
67.75719	0.4
69.03338	0.6
70.35514	1.6
71.01247	2.9
73.02819	3.7
81.03324	0.6
83.04929	0.5
85.02823	1.9
87.04391	3.6
87.26048	0.4
89.02317	1.1
95.04900	0.6
97.06469	1.0
101.02325	2.0
109.06471	0.8
113.02337	1.5
125.02338	1.4
125.09583	0.6
135.08078	2.1
137.09631	13.2
138.09953	0.7
139.11182	0.5
143.03462	0.8
151.11163	0.5
155.10681	100.0
156.11024	4.5
169.12280	1.6
178.62558	0.5
179.03415	0.5
181.08636	1.5
187.09772	0.6
199.09695	95.0
200.09999	5.5
200.42827	0.5
213.11311	1.8
217.10759	0.8
241.10823	6.0
242.11020	0.6
303.72836	0.4
305.06747	0.7
322.01367	0.4
343.17572	0.6
385.22083	0.6
403.23532	9.8
404.24048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
52.19950	0.5
55.01759	1.3
57.03322	2.4
59.01247	7.6
61.98714	0.6
64.80316	0.6
67.67001	0.5
69.03326	64.4
70.03651	1.9
71.01244	2.5
73.02808	0.8
79.01759	16.4
79.02209	0.9
81.03340	3.3
83.01291	0.7
85.02830	2.5
89.02325	1.4
89.48279	0.8
93.03334	0.6
95.01271	7.0
97.02832	36.5
98.03182	0.9
99.04389	2.9
101.02335	1.8
107.01270	51.4
107.04946	1.2
108.02081	10.4
109.02855	6.0
113.02348	2.1
119.03407	0.7
119.04907	0.8
121.02868	6.3
123.00771	12.6
123.04356	0.8
124.01160	0.6
125.02336	74.8
126.02667	2.1
133.02878	3.3
134.03574	1.2
135.00771	1.8
135.04414	3.5
136.01558	5.6
137.02365	4.2
139.07716	0.6
145.02859	1.2
149.02345	4.8
150.03255	0.6
151.00273	73.8
151.03809	1.7
152.00757	4.1
153.01842	15.6
158.23015	0.6
161.02444	0.7
161.04395	1.0
162.03178	0.7
163.03931	9.9
175.03882	1.4
177.01846	12.4
179.03366	1.0
191.03378	0.6
193.05055	0.6
197.06006	5.2
198.06778	0.8
199.07552	1.0
207.02965	2.1
215.07079	0.9
225.05502	0.8
242.05809	100.0
243.06560	55.2
243.09467	0.7
243.10172	0.9
244.06964	4.6
254.06862	0.7
285.07690	4.5
297.06082	17.8
298.06525	2.0
343.24799	0.7
345.22867	2.5
363.23956	1.3
405.11880	14.8
405.20236	1.0
405.25204	5.5
406.12222	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	CHEBI:76157
Peak:m/z	Relative Intensity
57.03326	2.3
59.01252	7.1
61.98707	1.0
65.00184	0.6
69.03323	0.6
70.08375	1.2
70.08758	0.8
71.01253	2.1
71.04886	0.5
72.99163	0.5
73.02804	1.1
75.69196	0.3
80.02566	0.5
83.01251	0.6
83.43930	0.4
85.02820	0.9
87.00735	0.4
89.02303	1.3
91.01773	13.8
92.02089	0.4
93.02825	0.3
93.03336	2.2
95.01244	0.6
97.06457	1.1
99.00710	0.4
99.04389	1.7
101.02318	1.6
107.04943	0.6
108.02055	19.1
109.02864	4.9
113.02343	0.6
121.02830	1.4
123.00769	5.8
123.08061	0.8
124.01570	0.4
125.02312	0.7
125.09602	0.5
135.00784	13.7
135.04459	0.6
136.01147	0.6
137.02367	3.6
139.11186	4.5
147.06921	0.4
148.91264	0.4
152.01064	17.6
153.01463	1.2
155.10680	0.5
160.03958	0.4
173.04500	0.9
180.05606	0.4
181.06552	0.7
197.06079	0.8
198.06676	0.7
199.07588	2.7
201.11261	8.6
213.05545	1.4
215.07115	0.8
215.12773	0.7
225.05473	0.5
243.06602	100.0
244.06926	8.3
299.12634	0.5
343.11832	1.7
363.20319	0.5
382.76190	0.5
405.11813	7.8
405.25046	5.8
405.29474	0.4
406.12491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21119	0.3
55.95290	0.3
56.70395	0.3
57.03316	0.4
59.01249	4.7
61.49253	0.3
61.98686	1.0
62.14694	0.2
71.01254	3.8
71.53079	0.4
73.02808	1.2
75.00729	1.1
83.01255	0.6
85.02823	1.3
87.00750	0.3
89.02301	0.4
93.03315	1.3
95.01260	0.7
97.76896	0.2
99.00742	0.5
101.02309	1.8
108.02041	0.8
109.02858	1.3
111.00733	0.3
113.01590	0.3
113.02320	1.7
116.15045	0.3
117.00018	0.4
119.03415	0.4
121.02853	2.4
122.03625	2.0
125.02351	0.8
135.04417	0.3
137.02284	0.7
149.02368	0.4
151.03870	1.4
155.10666	0.3
158.07242	0.9
161.04459	1.4
173.04411	0.4
183.08017	0.6
185.05988	0.4
201.09129	0.8
201.14969	0.3
205.01646	0.4
227.07083	28.6
228.07634	3.3
243.10229	100.0
244.10553	7.9
263.05911	0.3
270.11960	0.3
285.11746	0.3
343.24756	0.3
363.20169	0.6
404.32587	0.3
405.15939	0.5
405.20410	0.4
405.24966	1.3
405.51987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01159	0.3
57.03308	0.7
57.64632	0.3
59.01254	6.2
61.98696	1.9
71.01253	5.0
71.53542	0.5
73.02820	1.3
75.00744	1.6
81.03331	0.5
83.01250	0.6
85.02830	2.1
87.00780	0.6
89.02301	0.8
93.03341	1.6
95.01265	0.8
99.00749	0.8
101.02322	2.4
108.02053	1.0
109.02821	1.3
113.02335	1.9
121.02848	2.4
122.03625	1.6
122.86755	0.3
125.02356	0.7
135.04448	0.6
143.04950	0.4
151.03952	1.6
153.01880	0.5
159.02927	0.5
161.04422	1.8
173.04514	0.3
183.08136	0.6
185.06070	0.5
198.33063	0.3
201.09213	1.1
227.07089	27.3
228.07654	3.5
243.10233	100.0
244.06660	0.4
244.10573	8.6
255.86467	0.4
265.05170	0.3
277.65778	0.3
287.18311	0.4
345.19208	0.9
363.20108	1.2
405.16040	0.8
405.21130	1.3
405.25021	0.7
405.28778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.6
61.98696	0.4
65.03901	0.2
67.01776	0.2
69.37376	1.2
71.01260	2.5
73.02818	0.8
81.03321	0.8
81.08208	0.1
83.01247	0.3
85.02829	1.1
89.02328	0.2
93.03329	0.8
95.01268	0.5
97.02820	0.2
99.00756	0.4
101.02318	1.5
107.05013	0.1
108.02047	0.9
109.02843	0.9
109.03849	0.1
113.02352	1.1
119.04887	0.2
121.02827	0.8
122.03632	8.6
123.00815	0.4
123.03979	0.3
125.02370	1.2
135.04445	0.3
136.05150	0.4
137.02312	0.9
143.04817	0.2
151.03882	0.7
153.01804	0.2
154.02646	0.2
154.51425	0.2
158.07339	0.2
159.02866	0.3
161.04459	0.7
183.08084	0.5
184.08841	0.8
185.06020	0.6
186.06824	1.2
187.07501	0.2
196.42111	0.1
199.07570	0.4
199.11209	0.4
200.08315	0.2
201.09143	3.5
202.09549	0.3
227.07094	13.1
228.07664	1.9
229.62627	0.2
243.10240	100.0
244.10583	8.8
244.13145	0.4
267.10336	0.2
392.37006	0.2
405.24811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.3
59.01251	29.7
63.98476	0.4
71.01255	4.3
71.04868	0.5
71.38152	0.4
71.53461	0.5
73.02822	5.5
79.12099	0.4
82.31954	0.4
83.01243	0.7
83.04913	0.5
85.02798	1.7
87.00754	0.8
87.04358	0.5
89.02316	13.8
89.59113	0.5
95.01270	0.5
96.94367	0.4
97.06474	0.9
101.02310	1.7
101.05963	0.4
102.80139	0.4
113.02317	1.8
119.03392	0.5
125.09612	0.9
129.05417	0.5
129.79268	0.4
135.04462	0.6
137.02335	0.5
137.09567	0.9
139.11189	17.8
140.11545	1.1
147.75627	0.4
153.09000	0.5
153.52625	0.4
155.10695	1.3
163.11223	0.8
165.05421	0.9
165.09119	1.0
173.04495	0.7
181.12257	11.0
182.12498	0.7
183.10194	24.8
184.10464	1.4
187.09660	1.3
191.05518	0.5
191.63373	0.5
199.13318	5.2
225.11298	6.9
226.11537	0.6
227.07164	0.4
229.70032	0.5
243.12346	100.0
244.12698	7.6
249.11185	1.1
256.28094	0.4
273.17090	0.6
285.13516	2.3
311.10336	0.9
405.12146	1.1
405.17719	2.6
405.20093	1.4
405.25018	16.9
406.25287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71331	0.9
57.03324	99.4
58.03657	2.3
59.01251	100.0
64.73831	0.9
69.50287	0.8
70.91783	2.0
71.01254	11.2
73.02825	3.0
81.03322	1.4
83.01246	1.5
85.02814	3.7
89.02312	12.8
90.02640	1.1
90.15084	1.0
95.75349	0.9
99.04398	86.0
100.04739	1.9
100.19990	1.0
101.02328	17.7
113.02335	7.5
119.03391	3.9
123.04375	1.1
125.02335	28.4
126.02695	1.2
131.03394	1.6
135.82126	1.2
143.03375	1.8
143.67426	1.0
149.04430	1.6
151.07404	1.0
155.10667	2.1
161.04413	1.9
179.05531	3.3
201.11351	1.6
209.52078	0.9
261.13419	2.0
298.36447	0.9
303.14407	1.1
387.27567	1.3
405.24783	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	98.2
58.03641	1.2
59.01252	100.0
60.01558	1.4
61.98680	3.0
69.05103	1.3
69.42621	5.8
69.43037	3.6
71.01261	15.4
72.99171	2.4
73.02831	7.9
75.00739	1.5
81.03316	2.5
83.01252	1.7
83.04868	1.7
85.02840	6.2
85.19994	1.3
87.00751	1.4
89.02306	9.1
90.84597	1.1
93.03312	1.3
99.00706	1.6
99.04398	77.8
99.74300	1.3
100.04745	2.8
101.02327	24.3
109.06425	1.5
113.02327	5.4
119.03348	1.9
121.02897	1.5
122.02396	1.3
123.08073	1.4
125.01447	2.0
125.02345	29.8
126.02588	1.3
135.04402	2.0
139.11203	11.0
143.03394	1.6
150.03114	3.0
153.09099	1.7
161.04469	2.2
164.69557	1.3
165.05490	3.8
173.04436	2.4
192.74318	1.2
195.06549	2.1
198.06776	4.4
201.11269	38.6
202.11554	3.7
215.12997	1.8
243.06557	2.2
243.12344	1.7
261.13492	9.6
405.11847	6.0
405.20337	2.0
405.25000	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01753	1.2
57.03320	1.3
58.00468	2.2
59.01255	56.7
61.98693	1.8
71.01257	57.6
71.52972	0.8
72.99186	4.5
73.02840	5.2
76.55576	1.0
83.01270	2.5
85.02827	8.4
87.00779	1.4
89.02319	33.3
95.01262	2.4
95.72572	0.8
98.46179	0.8
99.00764	1.1
101.02330	25.0
101.86051	0.7
108.02040	7.1
113.02341	13.3
119.03387	14.7
121.02862	1.4
125.02360	1.3
127.11177	1.3
135.04442	1.0
143.03391	1.2
151.03889	1.8
152.01062	5.1
153.12791	2.1
161.04472	2.8
173.04530	1.3
179.05524	2.6
185.90915	0.8
199.13298	7.2
201.14864	1.2
225.14940	2.6
243.06557	1.8
243.10173	1.4
243.16014	1.1
290.64233	0.9
309.76541	0.7
324.18918	0.8
345.19199	1.9
356.79129	0.8
363.20255	3.6
387.20279	1.9
405.21304	100.0
406.21686	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	405.2132
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01741	0.4
57.03315	1.1
58.00488	0.6
59.01252	19.6
61.98690	0.5
69.03313	0.4
69.86662	1.5
71.01255	11.8
71.04865	0.6
72.99176	1.3
73.02830	1.5
81.03381	0.3
83.01264	1.1
85.02818	3.3
87.00762	0.8
89.02313	8.6
95.01262	1.1
99.00743	0.3
99.04386	0.8
101.02323	7.7
113.02332	3.6
119.03396	2.6
124.01568	0.3
125.02314	0.6
125.09588	0.7
187.09668	0.5
225.14914	6.1
243.15984	11.0
244.16362	0.9
295.01563	0.3
299.53714	0.3
300.94180	0.3
326.09497	0.3
328.35156	0.3
387.20203	2.1
405.21268	100.0
406.21609	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	405.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.0
61.98703	100.0
62.40148	0.4
67.00252	0.3
69.72434	0.4
76.59867	0.3
78.95747	0.6
164.97873	0.3
203.76073	0.4
212.71155	0.4
235.40845	0.4
321.17816	0.5
405.16611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01581	17.1
61.01377	2.1
61.01676	24.1
61.01962	2.9
61.98705	34.4
62.02007	3.2
65.14516	1.5
69.03339	1.5
69.21046	16.4
71.01243	4.9
77.37493	1.5
79.88025	1.7
85.02825	2.1
87.00760	2.1
88.58189	1.5
91.23408	1.3
101.02351	1.8
108.27149	1.4
114.02698	1.4
121.02756	1.7
123.04417	1.6
133.02797	1.7
134.03641	4.6
135.04390	3.2
153.35320	1.3
160.03590	1.4
161.02342	1.8
162.03154	2.8
163.07573	1.8
173.04347	2.2
175.03941	1.7
187.78934	1.5
192.00354	1.8
231.10300	2.4
275.09192	10.1
407.12656	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	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37924	1.3
56.83828	1.4
59.01252	18.0
64.00151	1.5
65.23371	1.5
68.99670	1.6
70.82459	2.4
70.82816	3.3
71.01273	5.2
73.02808	2.4
82.02861	10.1
83.01318	2.1
85.02834	4.7
87.00833	1.5
88.90200	1.3
89.02327	3.0
93.03342	11.1
101.02341	6.3
104.90340	1.4
109.02835	2.7
113.02322	1.4
135.04427	2.0
136.03951	2.0
137.02406	2.5
137.51514	1.4
151.04021	3.5
160.07568	2.5
162.04314	2.6
162.05579	1.8
164.03474	5.7
171.10255	3.7
173.04480	28.1
174.01910	2.4
174.04787	2.8
174.75357	1.6
188.07172	4.5
189.06638	2.5
190.01454	1.7
191.05609	11.5
200.07281	2.1
202.08742	5.1
203.10609	1.6
216.03458	2.3
216.05383	6.7
216.06934	2.7
216.10258	2.1
217.02643	6.2
217.06111	10.1
218.06866	2.8
218.41675	1.3
221.02704	1.8
227.06839	1.4
228.06966	1.6
229.05984	9.1
230.03314	4.4
230.07082	3.9
231.07741	12.8
232.08427	5.4
241.06200	4.8
242.03233	3.9
243.04070	22.0
243.07886	3.4
244.04854	10.2
244.09854	12.8
245.09262	6.8
248.09265	3.1
254.07115	1.8
256.05066	6.7
257.05685	16.4
258.06390	7.2
259.07202	48.1
259.10876	6.0
260.07489	3.2
269.09436	3.3
270.07275	2.0
271.07199	24.0
272.07651	2.6
273.08823	1.7
276.12564	1.9
285.03934	1.7
285.08932	4.5
287.10385	77.0
288.08731	5.0
288.11057	4.5
291.09854	12.6
292.10229	2.0
303.06390	1.9
313.08295	100.0
314.08676	9.9
317.07770	2.0
331.09332	65.5
332.09766	6.0
345.11053	7.7
375.08301	24.7
375.12643	2.1
376.08771	1.7
377.51813	1.5
389.09933	3.4
407.11108	60.8
407.19562	3.7
408.11508	8.5
434.06525	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67753	1.3
59.01254	18.7
65.99709	2.4
71.01268	5.0
82.02861	10.4
83.01285	3.0
85.02837	1.9
87.04397	1.4
89.02325	3.1
93.03342	5.1
94.03681	1.8
99.95353	1.3
101.02314	4.0
109.02847	4.0
110.87186	1.3
111.00837	1.1
111.04398	2.0
117.68831	1.3
123.04383	1.7
125.02280	2.1
133.02861	2.2
136.03989	1.5
137.02324	4.7
146.05966	1.6
146.83899	1.3
151.03932	5.0
160.07544	1.8
162.05544	1.7
163.03925	2.1
163.75771	1.3
164.03436	5.9
173.04482	11.8
174.04869	1.7
177.01839	1.6
182.23711	1.6
186.05392	1.5
188.07133	4.3
189.06671	1.6
191.05612	7.4
192.05916	1.5
199.03943	2.3
200.07175	1.9
202.08638	2.6
211.03931	2.1
215.04555	3.2
215.08171	1.4
216.04999	6.8
216.07034	2.5
216.10190	1.8
217.02510	6.3
217.06154	9.9
218.06795	1.8
227.03412	4.7
228.04221	2.4
228.06616	1.8
229.06085	10.3
230.03143	2.1
230.06865	4.2
231.07704	11.9
232.08325	4.5
241.06096	3.1
242.03325	3.7
242.08246	1.8
243.04213	20.1
243.07840	3.4
244.04767	11.2
244.09805	14.0
245.04529	6.2
245.09465	5.1
248.09158	3.6
255.02968	22.2
256.03748	8.7
257.05594	14.7
257.09305	2.3
258.06375	6.3
259.07214	45.2
259.10834	6.2
260.07419	3.1
260.11682	1.6
269.04529	3.1
269.09192	4.0
270.07458	1.5
271.07220	23.2
272.07761	2.4
276.12335	1.4
281.04477	1.9
282.01709	1.5
283.02429	2.2
285.04578	2.8
285.08749	5.6
287.10373	75.5
288.08698	6.0
288.11029	4.3
289.08502	1.6
291.09796	10.9
297.04321	1.4
303.09747	1.6
313.08301	100.0
314.08633	10.8
319.05484	1.5
319.12796	1.8
331.09329	58.9
332.09750	6.4
345.10773	9.4
357.07413	2.1
375.08255	22.7
376.08789	2.4
389.09924	2.6
407.07138	23.8
407.11029	45.6
407.18985	2.1
408.11237	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.1
57.03316	2.5
58.00463	1.0
59.01254	78.4
60.01586	1.5
63.92514	0.6
69.03317	1.2
69.37168	3.8
69.37593	1.8
71.01253	30.1
71.04872	0.8
72.99174	1.8
73.02820	10.8
83.01256	7.8
85.02825	16.7
85.99961	1.6
87.00758	2.8
89.02321	5.3
93.03351	0.8
95.01264	2.7
97.02807	1.3
99.00755	4.8
101.02326	29.4
109.02851	1.3
111.00777	1.8
113.02335	11.4
119.03374	1.5
120.84286	0.7
135.04408	2.2
139.11142	1.4
143.03284	1.1
147.27835	0.8
157.12256	2.7
159.02892	1.6
161.04480	5.0
161.18942	0.7
171.10158	1.0
173.04471	1.7
185.11803	3.5
191.05486	3.8
203.12834	6.7
235.99045	0.9
255.03012	1.0
303.18274	0.9
310.32062	0.6
330.60919	0.6
346.53973	0.7
347.17114	44.7
348.17416	4.5
365.18146	100.0
366.18515	10.3
407.19205	83.4
408.19714	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.03663	1.5
59.01253	92.6
61.98701	0.9
69.03307	1.2
71.01254	9.0
71.97182	1.0
73.02806	4.0
78.81467	0.9
81.03339	1.5
83.01248	1.7
85.02809	6.1
89.02316	3.7
97.02801	1.0
99.00756	2.2
99.04398	81.1
100.04722	1.6
101.02322	26.0
105.03388	1.3
113.02336	4.1
123.34490	0.9
125.02344	32.1
125.69430	1.2
133.02856	1.2
134.03642	2.0
135.04378	1.2
138.70090	1.1
143.03369	2.0
149.04453	2.0
161.04398	1.7
171.10162	1.3
173.04510	1.4
216.96063	1.1
231.10178	2.5
255.02907	2.0
263.15002	15.1
264.44632	0.9
275.09113	4.7
305.16092	1.7
407.07602	3.3
407.22504	2.0
408.08276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
61.98702	100.0
63.99141	0.3
68.18346	0.2
68.39955	0.2
69.95013	1.4
71.01236	0.2
78.44069	0.3
91.51048	0.2
107.73860	0.2
163.91292	0.3
407.07928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07211	0.5
59.01256	1.9
61.98703	100.0
70.26859	0.7
70.27208	2.0
75.26301	0.6
79.45102	0.7
142.35884	0.5
171.10100	0.7
187.14363	0.5
278.34866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02261	0.4
55.01751	3.1
57.03330	0.3
59.01254	8.8
63.13467	0.3
64.85402	0.3
67.01765	0.7
69.03325	100.0
69.70416	0.9
69.70838	0.8
70.03659	2.8
71.01257	2.7
71.20898	0.3
72.44731	0.3
72.99173	1.7
73.02801	0.6
79.01765	1.3
83.01271	0.5
85.02827	1.8
87.00761	0.4
89.02313	0.4
89.03813	0.2
92.33864	0.3
93.03347	0.4
95.01260	2.9
97.02827	18.8
98.03165	0.7
98.19825	0.6
99.00755	25.4
100.01131	0.6
101.02326	0.9
103.03893	1.5
104.57466	0.3
109.02842	0.4
113.02321	1.2
114.02678	0.4
120.09673	0.3
121.02862	0.8
123.00768	1.6
125.02336	0.4
131.12987	0.3
135.04404	1.5
135.73506	0.3
137.02376	2.5
139.03877	0.3
141.01836	5.4
145.32938	0.3
147.04379	0.3
147.28183	0.3
149.02347	3.9
164.04706	2.3
165.91698	0.3
173.04495	0.9
179.03481	0.6
179.07095	0.3
185.00847	36.3
186.01138	1.3
191.05605	0.7
193.01413	0.4
203.01921	0.9
204.07751	0.6
208.03662	1.0
223.06052	3.9
348.17484	0.4
349.17776	0.6
366.18497	0.8
367.18692	1.9
408.19495	0.3
409.07904	1.7
409.19516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52987	1.6
55.01764	1.4
57.02180	1.3
59.01252	100.0
69.03327	21.6
70.18462	1.5
70.92567	2.7
71.01257	13.4
72.20245	1.4
73.02803	3.8
83.01268	2.1
85.02815	5.6
87.00736	2.0
89.02315	3.7
95.01234	2.4
97.02826	4.8
99.00750	10.5
101.02322	11.5
113.02322	5.7
121.02850	2.1
135.04384	3.3
141.01828	2.0
145.12215	2.8
161.04486	4.1
165.01854	1.3
165.05464	9.7
173.04459	3.9
179.03348	1.6
185.00864	13.6
191.05443	2.1
225.07660	9.7
289.16586	4.6
307.17596	26.9
308.17972	3.3
349.18570	14.8
409.10135	1.5
409.22345	1.9
417.03000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.3
60.45454	2.2
65.99704	6.0
67.01753	4.3
71.01244	4.5
71.52375	3.0
72.99182	43.4
85.02809	5.1
93.03346	31.8
98.02364	3.7
107.04945	3.0
109.02811	5.0
111.04420	4.9
121.02851	4.0
133.02827	7.2
133.64296	2.3
135.04419	19.3
137.02309	9.2
138.33266	2.3
143.69148	2.6
147.04388	14.5
148.03935	6.2
149.05954	3.1
150.05484	11.2
151.03880	4.2
155.03395	3.9
162.05504	6.8
165.05450	4.0
173.04475	100.0
174.05600	22.9
176.03473	3.3
191.04036	3.0
191.05574	34.5
192.02922	8.1
192.06598	16.0
218.04494	19.9
236.01938	4.6
236.05605	89.1
237.05966	4.3
406.73138	2.8
410.11087	4.3
411.09521	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	410.109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13535	1.1
65.99717	4.9
67.01758	3.2
69.58823	2.1
69.59237	5.0
71.01244	3.5
72.99179	54.4
81.03333	1.5
85.02825	4.6
93.03329	19.3
94.03633	1.1
97.02800	1.1
98.02374	3.7
107.04923	2.6
109.02843	3.5
111.00780	1.5
111.04405	5.7
119.04921	1.8
121.02831	5.3
123.04396	3.0
127.03925	1.7
133.02814	2.7
134.03607	2.3
135.04419	20.0
137.02328	7.5
137.06012	1.7
147.04424	12.3
148.03940	4.0
149.02217	1.4
149.05986	3.6
150.03040	1.1
150.05534	10.0
151.03894	4.0
152.63728	1.0
153.96931	1.1
155.03383	5.4
162.05510	12.2
163.03949	1.4
165.05473	7.8
166.78206	1.1
173.04472	100.0
174.05602	21.9
175.03929	1.2
175.05751	1.4
176.03351	2.6
177.01849	1.2
184.30675	1.1
191.05536	37.1
192.02950	5.7
192.06624	17.9
193.04916	2.2
200.03430	1.9
209.04433	1.1
218.00890	2.1
218.04562	17.1
219.02824	2.5
236.01854	2.5
236.05602	90.4
236.46045	1.3
237.05956	5.9
247.39903	1.1
272.07809	1.2
308.04553	1.3
394.98206	1.1
405.96695	1.5
410.10831	4.0
411.09048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.0
63.44932	2.1
67.01753	3.8
71.01273	2.8
72.99181	50.9
85.02822	10.2
87.00742	5.4
93.03339	22.0
98.02355	2.9
111.04401	6.5
121.02851	5.7
121.67744	2.1
123.04496	3.3
127.03883	3.0
135.04439	21.1
137.02348	7.4
147.03281	2.5
147.04416	9.9
151.03931	3.0
162.05550	11.6
165.05466	8.7
173.04478	39.8
174.05638	12.4
176.03401	6.9
191.05534	100.0
192.02881	2.8
192.06570	7.1
218.00964	2.5
218.04590	13.4
219.03023	3.5
236.05609	53.3
237.05914	3.0
262.19302	2.3
274.83633	2.2
277.57370	2.2
291.43698	2.4
300.46555	2.6
410.10965	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	411.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03328	1.2
59.01255	100.0
60.01590	1.7
66.71716	1.1
69.03340	1.3
69.51447	6.0
69.56501	1.0
71.00894	1.8
71.01258	20.6
72.99180	1.7
73.02823	14.7
76.50982	0.8
83.01266	5.0
85.02815	4.2
87.00742	1.2
89.02331	5.1
98.19836	1.9
99.00777	1.2
99.04341	0.9
99.38077	0.9
101.02332	17.5
113.02342	7.2
119.03359	1.9
137.09608	6.0
143.03406	1.1
143.31819	1.0
153.12772	2.1
161.04520	2.8
173.04488	1.5
179.03386	1.2
189.12770	1.2
191.05608	1.6
197.11819	1.8
215.12863	5.8
218.17157	0.9
411.23776	1.4
412.17368	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43327	0.7
57.03322	0.9
58.00468	1.2
59.01250	100.0
60.01582	1.7
60.19360	0.7
69.03336	1.5
69.55744	5.2
71.01255	23.9
72.99210	0.9
73.02814	22.0
76.20901	0.8
83.01243	5.4
85.02827	3.7
87.00735	0.8
89.02321	7.1
95.01271	1.3
95.30383	0.6
97.02853	0.7
101.02324	21.0
108.76807	0.8
113.02316	10.8
119.03407	3.2
121.06473	1.3
125.02312	1.1
131.03410	2.6
137.09612	7.4
143.03409	1.6
161.04491	2.5
166.21136	0.7
173.04472	1.0
189.12753	1.7
220.79309	0.7
246.29907	0.8
261.53931	0.7
411.13000	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81813	1.4
59.01254	100.0
70.65049	1.4
70.65386	3.6
75.15525	1.3
82.32942	1.2
94.05789	1.2
143.87123	1.4
152.12154	1.3
172.05473	1.3
214.53786	1.7
265.05521	1.5
272.33847	1.3
393.77060	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
69.03247	2.2
70.09386	6.5
70.09802	3.8
102.26598	2.2
120.74330	1.8
199.02374	1.9
254.89673	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69963	0.4
55.01760	0.6
55.34621	0.4
57.03314	1.2
59.01251	100.0
60.01601	1.0
69.17400	2.3
69.17835	2.6
70.92403	0.4
71.01260	7.1
73.02824	2.7
83.01278	1.1
85.02816	4.2
87.00778	0.5
89.02322	1.0
95.01256	0.5
95.59129	0.4
99.00767	1.0
101.02321	5.1
113.02322	2.6
119.03432	0.8
122.52198	0.4
159.02971	0.5
161.04448	3.0
170.97296	0.5
209.15347	1.0
218.07445	0.4
247.74211	0.4
262.27490	0.4
353.19827	1.8
371.20770	8.3
371.25079	0.7
372.21252	1.0
408.41187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
70.99921	2.9
98.24728	1.4
126.08450	1.3
149.50958	1.6
193.15538	1.4
277.41541	1.5
302.91623	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55109	2.8
59.01251	100.0
61.94492	2.8
62.50919	2.8
70.77575	2.7
76.71655	3.0
107.03491	3.8
110.79710	3.3
143.56355	3.6
150.12437	3.4
163.23595	3.0
194.57870	3.2
214.65198	3.0
223.88268	3.5
227.71928	3.3
291.44113	3.4
323.27972	3.7
323.31708	3.3
343.66183	3.1
360.48401	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.6
70.44528	1.5
70.44865	4.1
81.03323	4.6
83.01265	2.2
98.20562	1.7
121.02963	1.4
123.04407	36.5
124.04703	1.3
125.02341	7.1
151.04007	1.5
156.97913	1.7
167.03412	100.0
168.03751	5.9
179.03471	2.6
181.04959	2.5
189.77859	1.3
191.03419	21.4
209.04539	8.2
221.04523	2.2
288.99307	1.3
294.74292	1.3
316.63489	1.4
371.09753	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	415.161
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
52.19585	0.6
55.01753	1.3
57.03309	1.8
57.06964	0.7
58.00464	1.2
59.01256	26.3
68.66546	0.6
69.03315	0.8
71.01260	20.5
71.51852	0.8
72.99168	2.1
73.02826	1.6
75.00730	0.7
83.01252	1.9
83.04893	2.1
85.02828	6.6
87.00772	1.0
89.02322	10.4
93.03340	1.0
94.04131	0.7
95.01263	1.7
99.00766	1.3
99.04378	0.7
101.02330	9.6
107.04936	1.2
109.02843	2.1
109.06474	1.7
111.04396	0.8
113.02319	6.4
119.03385	3.4
122.03679	1.0
123.04382	0.8
124.05190	2.7
125.02302	0.9
125.06012	0.8
133.06471	2.6
135.04445	0.9
136.05188	0.7
137.05975	1.7
138.06766	8.2
139.07561	16.6
140.07878	0.8
149.09628	1.5
151.07562	6.3
152.01039	1.2
158.07277	1.2
161.04489	2.0
167.93533	0.7
173.04462	1.3
173.09619	1.3
175.07562	6.2
178.61841	0.7
179.38005	0.7
189.01866	0.9
191.10713	33.1
192.11038	2.2
209.11842	2.0
218.02429	0.8
339.83517	0.8
372.14569	0.9
415.16098	100.0
416.16727	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.5
58.00476	0.7
59.01251	100.0
60.01585	1.4
69.03324	1.5
70.88657	0.5
71.01256	4.4
71.53446	0.6
72.99193	0.9
73.02815	2.6
80.60950	0.6
81.03343	0.8
83.01272	0.8
85.02822	2.5
89.02330	2.6
93.03351	1.6
95.01280	1.1
95.04938	0.6
97.02882	0.5
99.00768	0.8
101.02303	2.6
109.02875	0.9
113.02353	1.8
119.03375	0.7
123.08049	0.7
125.02324	1.2
135.04398	4.4
137.02370	0.8
137.09668	0.6
147.11720	0.8
148.05080	0.5
155.10704	0.6
161.02310	0.6
161.04520	0.7
173.04553	1.9
179.03471	1.4
185.01030	0.7
191.05637	0.5
235.13474	1.2
236.14067	0.5
253.14371	4.7
253.60480	0.5
299.02078	1.1
300.02570	0.7
314.04562	0.9
315.04871	0.6
415.10693	1.2
415.19611	4.3
416.20490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1975
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.54363	0.5
50.91691	0.5
53.88689	0.5
55.01756	1.7
57.03324	1.3
58.00457	2.8
59.01250	100.0
60.01579	1.3
67.01748	0.5
69.03331	1.9
71.01254	63.0
71.10744	0.7
72.01604	0.8
72.99181	3.2
73.02818	74.6
74.03158	1.1
75.00768	1.0
81.03329	1.1
83.01258	25.8
84.01611	0.6
85.02825	6.9
87.00761	2.3
89.02318	16.6
93.03316	0.8
95.01263	1.9
97.02803	1.1
99.00761	2.0
99.04385	0.6
101.02322	68.4
102.02666	1.3
111.00773	0.6
113.02332	16.1
119.03403	6.0
125.02365	3.3
127.03938	0.6
131.03409	4.1
136.07617	0.6
137.02380	0.5
143.03400	3.4
149.04420	3.0
151.35086	0.5
155.03401	1.5
155.10597	0.6
161.04453	10.7
173.04408	0.8
179.05525	0.7
193.12263	11.2
194.12480	0.6
203.05577	0.7
211.13321	3.9
241.03273	0.5
310.25800	0.6
355.17709	4.6
355.24686	0.9
373.18665	10.0
374.19080	0.9
415.19647	22.1
416.20041	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.70966	36.6
69.71384	15.3
71.24088	9.4
80.41035	9.1
98.19886	13.3
118.57880	8.2
170.47528	9.2
198.60365	9.7
207.59576	9.4
256.10840	9.1
316.63388	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	416.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.7
59.01252	35.5
71.01257	42.6
72.99172	11.3
73.02821	11.0
83.01304	4.8
85.02822	57.5
87.00720	7.5
89.02305	15.1
93.03333	17.6
100.20782	5.4
101.02344	26.5
109.02854	7.2
111.00753	8.9
113.02306	15.5
121.02859	5.2
125.02283	9.4
135.04388	24.0
137.02327	10.7
153.01808	6.7
161.02171	4.7
173.04483	45.8
179.03389	26.1
191.01889	7.9
191.05550	41.8
193.05101	4.6
193.12280	27.7
212.72743	5.4
225.00346	7.2
237.11375	6.1
273.62125	5.0
353.08643	19.7
355.17679	9.6
373.17969	5.4
374.70627	5.2
417.17606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76337	4.3
59.01235	21.1
59.80273	4.1
65.68052	4.3
69.03313	8.7
69.94640	10.3
69.95052	14.4
71.01250	13.8
72.99168	4.6
85.02824	11.2
97.02816	6.5
98.20444	9.0
101.02309	9.1
107.01266	5.9
123.00758	12.9
124.01540	38.2
125.02338	99.4
135.04457	5.0
149.99474	68.2
168.00551	99.7
168.22519	4.8
169.01231	16.8
191.05518	16.4
264.70416	4.5
331.06644	81.7
332.07001	5.3
355.06549	6.5
373.03024	9.7
373.07727	100.0
374.08261	10.1
417.17627	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	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.3
59.01251	11.2
60.99180	1.3
67.01759	5.6
69.03310	2.3
71.01256	11.1
71.51738	1.6
72.99194	2.7
73.02808	1.2
75.00736	2.3
81.03323	1.6
83.04903	1.4
85.02831	6.4
87.00729	4.8
89.02316	3.3
93.03332	31.1
94.03664	1.1
95.01263	3.7
95.04910	1.2
101.02319	2.4
105.84508	1.0
108.02097	2.0
109.02834	3.5
111.00796	1.4
111.04405	6.5
113.02321	2.0
119.03336	1.1
120.02083	1.9
121.02869	8.8
123.00793	2.3
123.04398	3.6
124.01511	1.5
125.02344	2.4
127.03922	2.2
129.01895	1.1
134.03664	3.6
137.02359	8.3
137.05969	1.2
139.03946	1.4
148.01572	12.8
149.02371	9.0
150.03084	1.2
151.03925	1.4
152.45453	0.9
153.05457	7.8
155.03462	4.5
163.03899	9.7
165.01862	1.4
166.02597	6.3
167.03351	3.0
173.04478	100.0
174.04860	3.4
179.17215	1.2
181.04955	5.7
181.08698	1.4
191.05545	28.8
192.05873	2.5
193.05003	4.0
204.23648	1.1
208.03731	1.6
219.09982	1.1
243.05125	1.2
336.48019	1.1
367.10367	9.5
368.10593	1.3
417.17596	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	417.1305
Annotation	2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine
Peak:m/z	Relative Intensity
57.03276	1.6
59.01250	33.4
69.03316	2.4
71.01247	14.8
71.02897	3.7
71.12799	1.6
71.14880	1.3
73.02808	4.2
75.00735	5.9
83.01250	2.0
85.02813	12.1
86.47283	1.4
87.00757	2.3
89.02311	5.1
93.03328	6.5
101.02344	7.1
105.03337	2.5
109.02805	1.5
113.02312	5.2
117.15555	1.4
119.03355	1.9
119.04877	1.6
121.02843	78.6
123.04398	6.7
125.02319	1.9
135.04407	1.6
137.02318	5.7
141.16890	1.5
149.02316	1.8
150.03183	1.6
150.23352	1.5
150.80305	1.3
151.03885	1.7
155.10689	3.2
161.04398	2.4
167.03429	2.7
173.04454	3.4
177.05447	2.1
179.03438	2.6
184.07663	3.6
191.57854	1.5
197.04692	2.9
198.04294	5.4
199.04829	2.2
211.05083	3.6
211.08713	4.1
212.05751	6.1
212.07237	5.4
213.06616	7.1
223.06828	1.6
225.06592	2.3
226.07304	2.4
227.08249	16.9
239.04570	12.8
239.08276	2.9
240.04961	2.5
244.09941	1.8
249.06233	2.3
250.07379	2.1
253.06000	2.1
253.09834	3.6
254.03331	2.7
254.06839	3.7
255.07687	17.1
255.10260	20.4
256.10535	2.0
267.07770	10.2
271.07181	3.5
272.10544	45.0
273.11121	7.0
281.09302	8.2
287.10434	9.7
297.11771	1.5
299.09991	2.1
299.12869	5.7
309.08804	12.1
310.09286	2.1
341.11343	12.8
342.11639	1.7
373.14026	23.7
374.14410	2.8
385.10452	3.4
387.14209	3.2
402.16696	2.6
417.12994	100.0
417.19656	5.2
417.28674	5.2
418.13266	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
69.29609	0.6
69.30014	2.4
71.01256	1.6
73.02825	0.8
75.00771	0.5
78.95773	0.4
83.01266	0.4
85.02818	0.8
87.00726	0.5
89.83328	0.4
93.03336	49.4
94.03664	1.5
97.06466	0.4
101.02312	0.6
113.02274	0.4
119.03381	0.4
122.05958	0.4
125.02307	0.7
137.02342	100.0
138.02667	4.1
139.17572	0.4
149.06081	0.4
172.14636	0.4
173.04564	0.5
181.04962	0.3
183.04398	0.4
227.03526	0.8
234.13078	0.3
238.11134	0.5
240.04225	2.8
253.09972	0.5
253.45880	0.4
255.03003	2.2
255.06512	2.2
273.07797	0.3
297.12482	1.4
309.09158	0.4
314.10663	0.5
341.11328	0.8
367.94452	0.3
417.08441	1.0
417.21762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.01760	2.6
57.03307	1.4
58.00454	1.4
58.63637	0.5
59.00965	1.3
59.01252	24.5
70.05563	1.1
70.05984	1.7
71.01254	23.5
72.99175	2.0
73.02824	5.3
83.01263	3.8
85.02827	10.3
85.99957	1.2
87.00742	1.8
87.95961	0.4
89.02311	9.7
95.01264	2.1
97.02793	0.5
99.00745	2.4
101.02321	19.6
102.02665	0.6
106.17035	0.4
111.00758	1.3
113.02327	8.0
119.03383	3.8
121.06451	0.7
123.08065	0.8
124.05132	0.7
125.02364	1.1
125.05979	1.6
137.05949	0.7
161.04472	1.0
168.00427	0.6
175.11218	2.2
191.05524	0.7
193.12273	14.0
194.12613	0.7
211.13298	2.6
235.48775	0.5
237.11229	3.1
246.54066	0.5
255.12196	0.5
273.01318	0.5
278.40585	0.5
288.46307	0.6
355.17596	2.3
373.18695	1.0
417.17645	100.0
418.17996	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	417.1762
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
54.25162	0.6
55.01747	2.1
57.03307	2.6
58.00450	1.2
59.00956	1.2
59.01249	22.2
59.55048	0.6
69.62859	0.6
70.01313	0.8
70.01665	2.8
71.01249	21.1
72.99161	1.7
73.02811	5.6
75.00744	8.8
83.01246	3.8
85.02814	12.2
87.00739	2.1
89.02310	8.1
93.03320	0.9
95.01252	1.8
97.02760	0.8
99.00745	2.2
100.77562	0.6
101.02315	16.0
110.93347	0.9
111.00755	1.2
113.02324	7.6
119.03384	4.4
121.06478	0.6
123.04391	1.0
123.08015	0.8
124.01580	0.6
124.05125	0.9
125.02334	2.1
125.05993	1.0
129.01770	0.9
137.05977	0.9
149.09602	1.1
149.99466	1.1
151.03870	0.7
161.04472	1.2
168.00528	1.8
173.04486	1.2
175.11186	1.8
179.05623	0.7
191.05492	3.9
193.12257	13.0
194.12630	1.1
205.03508	1.2
211.13338	2.1
223.04510	0.9
237.11256	2.6
326.57764	0.6
331.06668	1.8
341.10800	2.3
355.17590	4.2
363.67255	0.7
373.07834	2.0
373.18573	2.0
389.45068	0.6
394.90930	0.6
417.17630	100.0
418.17950	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	5.4
57.03311	5.0
58.00460	2.1
59.01250	40.1
69.03350	1.9
71.01253	56.5
71.43852	2.1
72.99178	6.8
73.02821	19.8
75.00739	1.9
79.77568	1.3
83.01261	13.3
85.02820	30.1
85.99973	3.1
86.55621	1.4
87.00730	6.9
89.02326	18.4
93.03332	3.2
95.01261	6.1
97.02808	2.9
99.00775	9.5
101.02322	56.9
102.02664	1.4
109.02847	3.1
111.00765	4.4
111.04432	1.7
113.02331	28.1
119.03398	9.3
121.02800	2.0
121.06535	2.0
123.00698	1.7
125.02354	4.4
129.01823	1.7
134.07265	2.3
137.02327	4.0
143.03362	1.6
153.01851	4.2
159.02917	4.0
161.04468	12.8
167.03564	1.7
171.02757	1.4
173.04419	8.9
174.04770	1.4
179.05630	1.6
181.01381	3.8
191.05539	12.3
193.12260	68.6
194.12598	5.0
205.03467	1.7
211.13313	3.7
225.00389	5.0
355.17612	47.3
356.17795	3.3
373.18619	14.2
417.17657	100.0
418.18018	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
56.60039	0.5
57.03328	1.3
59.01251	100.0
60.01600	0.9
61.98703	15.4
69.39837	3.9
69.40249	1.0
70.47276	0.5
71.01252	23.8
72.99200	0.9
73.02817	8.9
73.03197	0.7
75.00754	1.0
78.15543	0.6
83.01244	3.1
85.02825	11.2
85.03291	0.8
85.72977	0.5
87.00776	1.6
89.02336	2.0
93.03347	1.3
95.01281	1.7
97.02837	1.2
99.00771	3.1
100.89867	0.5
101.02327	18.1
111.00804	0.6
113.02322	11.4
123.00760	0.6
125.02383	1.6
129.01862	0.9
137.02386	2.0
143.03447	2.4
151.00307	0.8
159.02892	4.3
161.04465	40.0
162.04871	1.5
165.09143	4.6
166.02652	1.3
167.03477	0.8
173.04530	1.5
178.67073	0.5
181.05008	3.3
185.08112	0.7
191.05550	0.7
195.10220	1.1
205.03540	1.2
243.12386	1.0
254.82706	0.6
255.06226	0.7
261.13730	0.5
297.39587	0.6
308.92017	0.6
332.08258	0.7
357.15530	19.9
358.15866	1.8
377.89124	0.7
387.11029	0.7
402.13647	0.7
417.17154	3.0
418.14493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31441	0.8
55.01753	2.5
57.03302	1.6
58.00463	1.8
59.01253	100.0
69.03318	3.4
69.42424	6.9
71.01254	53.2
71.04884	1.9
72.99182	3.3
73.02821	81.3
75.00751	2.3
76.45655	1.0
80.98199	1.1
81.03309	1.3
83.01260	20.3
83.04872	2.9
85.02837	4.7
87.00761	1.6
89.02327	6.3
92.77642	1.2
93.03333	1.2
95.04913	6.4
97.02812	2.6
97.06459	2.1
98.19817	1.5
99.00751	2.6
101.02322	46.0
102.02671	2.0
107.04897	6.9
109.02824	1.5
113.02329	10.4
113.05928	1.1
115.07549	6.0
119.03381	1.4
121.02853	1.7
123.04394	1.3
125.02319	3.9
125.09576	1.7
129.35063	1.3
131.03413	3.9
134.03632	1.3
135.07982	1.2
136.05171	4.4
139.11172	3.9
143.03418	2.1
143.29166	1.1
149.04462	2.3
149.09612	2.7
151.03903	1.1
151.11192	48.3
152.11510	3.2
155.03430	1.3
155.10640	1.6
161.04436	4.6
164.08318	2.5
165.12639	1.2
167.10670	4.2
169.12213	5.2
177.09100	8.8
178.09567	1.3
185.11725	4.8
193.12277	4.9
194.12660	1.1
195.10205	84.1
196.10521	4.5
211.13350	5.2
213.11272	13.8
214.11949	1.2
240.04225	1.7
255.06601	2.3
271.07306	2.1
311.06641	2.2
355.43039	1.2
385.10245	1.3
417.12961	3.5
417.20474	2.8
423.49493	1.1
434.73334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.6
57.39885	0.4
59.01251	100.0
60.01587	1.4
61.69778	0.5
69.03304	0.7
70.22388	0.4
71.01253	6.2
71.53278	0.6
73.02827	1.4
74.74596	0.4
75.00750	0.8
83.01277	1.3
85.02824	3.4
87.00771	1.4
89.02315	2.3
93.03334	0.7
97.02820	0.5
99.00759	1.1
101.02341	4.4
113.02333	3.1
119.03427	1.6
125.02336	0.5
126.77853	0.5
137.02348	0.7
139.07515	0.6
143.03438	0.6
151.00375	0.5
151.07524	0.5
153.09138	2.0
158.40742	0.5
159.02975	0.6
161.04465	2.2
171.56596	0.5
173.04562	1.1
181.04970	0.5
191.05569	0.8
197.00043	0.4
203.05562	0.5
205.03580	0.4
217.69617	0.4
297.13416	1.5
315.14545	3.3
357.15518	2.7
373.18613	1.5
376.54126	0.5
417.17542	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.6
57.03314	1.3
59.01250	60.2
60.01575	1.1
61.01682	0.8
69.03320	3.0
69.37459	6.7
71.00094	0.6
71.01254	26.1
71.04873	1.2
72.39482	0.9
72.99188	1.3
73.02820	27.9
75.00774	1.6
83.01269	7.8
85.02827	4.1
87.00778	1.3
89.02316	4.5
93.03301	1.0
94.04107	1.6
95.01240	0.8
95.04904	6.0
97.02805	1.2
97.06483	3.7
98.03613	7.1
98.19808	1.2
101.02319	16.6
102.02649	1.2
107.04906	9.9
109.06464	0.8
113.02316	6.8
119.03381	1.5
125.02328	1.9
131.03387	1.0
133.10072	1.4
135.04384	1.0
135.08057	1.8
137.02348	0.9
143.03455	0.8
149.02228	0.9
149.09624	4.4
151.11189	91.3
151.34906	0.7
152.11517	4.8
154.09857	1.3
155.03410	0.8
155.10660	2.1
160.91255	0.7
161.04483	2.9
169.12262	17.7
170.12581	0.8
173.04497	1.0
195.10199	100.0
196.10509	6.5
201.41716	0.8
230.19444	0.9
240.04227	1.1
255.06508	1.3
267.84726	0.7
331.05954	0.8
331.85541	0.8
388.77182	0.9
417.20636	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.7
59.01250	100.0
60.01590	1.4
61.98695	0.6
71.01255	1.5
73.02838	0.8
75.00745	0.6
79.55709	0.4
85.02838	0.5
89.02345	0.9
95.08695	0.5
95.75529	0.5
97.84750	0.5
98.20631	1.5
101.02309	0.8
113.02339	0.7
121.02874	0.8
123.00723	0.7
137.02435	0.5
151.00340	0.5
155.10744	0.6
199.62396	0.5
209.11880	1.3
230.25740	0.6
417.28583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2494
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01756	3.3
57.03324	3.7
58.00466	4.5
59.01251	91.5
65.22349	0.4
66.79332	0.4
69.03324	0.8
69.40582	2.8
71.01254	100.0
72.01594	1.2
72.99184	6.9
73.02821	17.2
75.00754	1.7
77.08743	0.3
81.03338	0.5
83.01261	7.5
83.04878	0.5
84.02038	0.7
85.02824	29.6
86.03179	0.8
87.00763	4.3
89.02317	64.4
90.02665	1.7
95.01271	6.1
96.04769	0.4
97.02847	1.6
99.00760	7.0
101.02325	69.9
102.02650	1.6
111.00705	0.4
113.02332	40.3
114.02653	1.1
119.03391	30.4
120.03747	0.7
125.02328	1.7
129.01842	0.7
131.03378	3.2
139.03966	0.4
143.03403	7.4
149.04477	2.4
159.02879	5.0
161.04463	27.7
162.04771	1.2
179.05531	9.4
180.05856	0.5
205.03503	1.2
207.17554	0.5
209.15433	1.3
227.18465	0.4
229.43625	0.4
255.19617	7.7
256.20004	0.9
385.12976	0.5
408.30069	0.4
417.24939	22.5
418.25345	2.9
434.95694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43421	3.8
52.76871	3.7
59.01254	83.7
61.98685	16.2
66.03365	84.7
70.02864	8.5
71.52178	5.8
73.02824	7.4
79.39327	3.7
84.04428	75.6
93.73436	4.1
94.02855	4.4
96.04422	26.4
96.60244	4.4
98.02361	26.0
112.03915	9.7
112.26881	4.7
114.05499	9.6
160.74908	3.8
187.45668	4.6
190.21335	3.9
197.19020	7.4
205.39227	3.8
330.26486	72.0
331.26865	11.1
358.26010	100.0
359.26294	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12096	5.1
59.01248	10.9
62.50217	5.1
67.01762	5.5
69.03326	6.4
69.94677	12.6
69.95076	10.8
70.16793	5.0
71.01258	12.6
72.99174	6.2
81.03299	5.3
83.04906	9.8
85.02823	19.6
87.00729	8.9
93.03336	24.4
93.47421	5.3
95.04894	11.9
98.20465	7.1
100.23121	4.7
109.02852	21.1
111.04414	24.6
113.02395	4.8
125.02318	7.8
127.03861	5.2
137.02383	25.3
139.00272	7.7
139.03896	23.0
153.01848	14.4
155.03441	11.6
157.04874	8.6
159.04366	6.1
165.01868	12.7
173.04454	57.7
183.02901	27.6
191.05525	100.0
201.03999	14.0
209.00822	10.7
211.79420	5.0
220.19774	5.2
227.01891	20.3
245.02953	11.8
314.48605	5.7
350.22232	6.0
401.07181	8.2
419.08133	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	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
57.36832	0.2
59.01251	100.0
60.01581	1.3
61.44131	0.2
69.59129	1.1
71.01250	0.4
73.02856	0.2
75.00758	0.2
83.46367	0.2
85.02833	0.8
87.00781	0.2
89.02302	0.2
93.03318	0.2
95.04903	0.3
99.00784	0.2
101.02352	0.3
107.04911	0.3
109.06448	0.2
123.04417	0.2
127.03861	0.9
132.98380	0.2
135.04439	0.2
138.53944	0.2
151.03912	2.6
159.08057	0.7
166.17079	0.2
179.07082	0.8
292.77365	0.2
297.11536	0.2
315.12430	1.6
331.11966	0.3
347.16937	0.3
359.11282	0.9
375.16336	0.2
419.13654	1.0
419.30133	0.9
420.13895	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.3
58.67862	0.3
59.01251	0.5
65.00198	1.0
65.85516	0.2
71.10188	0.5
81.03326	5.7
83.01254	2.4
84.22394	0.2
93.03323	0.3
97.02827	0.3
107.01306	1.3
108.55400	0.2
121.02831	0.6
122.03631	4.2
124.01453	0.3
125.02337	9.6
126.02662	0.3
131.04930	0.6
139.03964	0.3
143.08560	0.4
147.08031	0.5
149.02356	1.1
149.05994	0.7
151.00252	2.9
151.86749	0.2
156.05695	1.4
166.02640	0.6
167.03346	0.4
169.06493	1.6
171.08083	2.6
173.05995	5.0
174.06328	0.3
183.08134	0.3
195.08115	3.1
196.08458	0.4
198.06905	0.3
211.07544	0.4
213.09151	18.5
214.09489	0.9
215.07159	0.3
239.07085	7.1
240.07390	0.6
253.08655	0.4
257.08170	100.0
258.08502	10.3
281.08139	0.8
281.11255	0.3
299.09186	0.7
419.13544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03309	0.6
58.00471	0.3
59.01253	7.3
60.51955	0.2
65.03835	0.4
65.58266	0.2
69.79394	0.2
70.10450	0.2
70.23852	0.2
70.77876	0.4
71.01256	5.6
72.61823	0.2
72.99174	0.4
73.02818	1.2
75.00758	0.2
77.73505	0.2
79.07426	0.2
81.03339	0.8
83.01254	0.8
83.04874	0.4
85.02824	2.4
87.00757	0.8
89.02324	2.3
89.06783	0.2
93.03334	4.2
95.01247	0.8
95.04905	0.4
99.00747	0.4
101.02328	3.0
106.04126	9.4
107.04915	27.9
108.02056	4.1
108.05233	1.2
109.02849	0.6
111.00740	0.2
111.04428	0.4
113.02318	2.1
117.69605	0.2
117.86149	0.2
119.03396	0.8
119.04919	1.6
121.02850	3.6
125.02341	0.9
135.04407	0.3
137.02328	0.3
137.09615	0.3
138.03136	1.7
150.03131	0.6
151.03804	0.3
155.10684	1.0
171.08067	0.9
173.06047	0.6
179.03430	0.2
182.02104	1.1
192.66304	0.2
195.08151	0.6
199.09676	0.5
211.07584	10.8
212.07986	1.0
213.09155	74.5
214.09505	6.8
231.10316	0.3
239.07045	0.5
257.08176	13.1
258.08557	1.3
281.08087	0.8
284.41190	0.2
299.09235	0.6
326.99847	0.3
337.87186	0.3
419.13455	100.0
420.13809	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	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
57.58212	0.5
59.01254	7.2
66.91145	0.5
68.66969	0.5
69.03315	0.9
71.01253	1.7
73.02818	3.1
83.04900	0.9
85.02832	1.5
85.94517	0.6
87.00750	2.8
89.02322	1.5
93.03359	0.9
98.20566	1.3
105.01811	1.2
109.02849	0.7
135.08083	1.2
135.30064	0.6
136.49675	0.5
137.09630	6.2
138.05437	0.7
150.05516	1.0
151.03944	0.6
155.10684	100.0
156.11047	5.4
170.12183	0.6
173.04445	1.2
191.10773	0.6
199.09694	55.8
200.09995	3.0
203.01917	0.9
229.21034	0.7
255.11374	1.2
257.08176	2.1
266.06982	0.7
281.09250	1.3
287.11346	37.4
288.11609	2.9
299.10083	0.8
299.18170	0.7
301.62692	0.6
331.13959	4.4
377.17963	0.6
387.08200	0.8
400.10110	0.5
408.79584	0.6
419.10388	1.8
419.15582	18.3
419.22375	1.8
420.09991	0.7
420.15826	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	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16719	0.9
59.01253	19.6
69.50726	6.0
71.01251	8.9
72.99199	0.9
73.02831	3.1
73.37012	0.8
83.01247	0.9
85.02816	4.7
87.00732	0.9
89.02330	1.9
93.03354	1.6
95.01261	2.1
98.20596	0.9
99.00740	1.2
101.02348	5.8
107.04906	2.0
108.02092	2.9
109.02842	14.3
113.02316	4.2
121.02840	2.4
123.00777	3.4
125.02309	1.0
137.02356	70.4
138.03038	4.3
143.04898	1.2
145.06551	1.5
155.10672	2.6
161.04480	3.4
162.96684	1.0
171.04474	1.0
173.04457	2.3
174.06866	0.9
181.06535	2.8
183.08035	2.1
185.05910	1.2
197.05983	4.1
199.07588	3.0
199.09654	1.7
208.05090	1.0
209.06023	13.3
210.06410	1.3
212.04752	1.9
215.07130	1.1
225.05540	2.6
226.06264	2.8
227.07100	100.0
228.07443	9.4
229.08672	1.9
243.06647	1.3
244.07385	57.7
245.07668	3.8
259.09753	82.7
260.10092	6.9
345.10721	1.6
389.09845	1.2
417.34253	0.9
421.15613	1.4
421.20639	16.2
421.25629	1.2
422.21121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16719	0.9
59.01253	19.6
69.50726	6.0
71.01251	8.9
72.99199	0.9
73.02831	3.1
73.37012	0.8
83.01247	0.9
85.02816	4.7
87.00732	0.9
89.02330	1.9
93.03354	1.6
95.01261	2.1
98.20596	0.9
99.00740	1.2
101.02348	5.8
107.04906	2.0
108.02092	2.9
109.02842	14.3
113.02316	4.2
121.02840	2.4
123.00777	3.4
125.02309	1.0
137.02356	70.4
138.03038	4.3
143.04898	1.2
145.06551	1.5
155.10672	2.6
161.04480	3.4
162.96684	1.0
171.04474	1.0
173.04457	2.3
174.06866	0.9
181.06535	2.8
183.08035	2.1
185.05910	1.2
197.05983	4.1
199.07588	3.0
199.09654	1.7
208.05090	1.0
209.06023	13.3
210.06410	1.3
212.04752	1.9
215.07130	1.1
225.05540	2.6
226.06264	2.8
227.07100	100.0
228.07443	9.4
229.08672	1.9
243.06647	1.3
244.07385	57.7
245.07668	3.8
259.09753	82.7
260.10092	6.9
345.10721	1.6
389.09845	1.2
417.34253	0.9
421.15613	1.4
421.20639	16.2
421.25629	1.2
422.21121	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57368	0.4
59.01252	100.0
60.01590	1.0
61.98700	0.5
69.34060	3.1
71.01262	0.9
73.02821	0.5
75.00757	0.6
89.02322	0.5
93.03342	0.5
98.20631	0.6
101.02364	1.1
113.02343	0.5
116.42317	0.4
124.01595	0.5
134.03636	0.4
135.04471	0.7
137.02368	0.8
143.04932	0.4
149.81187	0.4
166.21347	0.3
173.04469	0.6
191.05615	0.8
200.11134	0.4
213.05608	0.3
214.06303	1.0
215.07146	1.6
240.04344	1.0
258.05344	1.4
289.16611	0.5
319.17679	0.4
421.11533	3.9
421.20419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17898	1.3
57.03328	6.4
58.02854	2.4
59.01252	14.8
62.69786	1.1
69.62840	1.1
70.02861	8.7
71.01250	6.1
71.04897	12.9
72.99166	1.6
73.02824	1.7
73.35237	1.5
78.91763	2.8
83.01267	2.3
85.02827	10.3
85.06481	1.4
87.05515	7.1
89.02325	4.2
93.03337	5.5
99.04398	6.0
101.02348	5.3
108.48029	1.1
108.54793	1.2
109.02849	2.0
111.00751	1.6
111.04380	1.8
113.02357	1.9
115.05061	2.2
116.07072	2.1
123.04411	1.2
125.02375	1.8
129.01836	7.8
129.05502	1.4
130.03249	7.7
134.03641	6.5
135.04434	8.1
137.02345	3.4
146.08139	78.2
147.05898	2.1
147.08510	3.3
153.01703	1.3
155.03387	2.8
156.36890	1.3
162.03003	1.3
165.01860	1.5
173.04495	2.6
179.03407	4.6
183.40596	1.2
191.05682	2.0
193.05008	6.2
205.03438	2.7
217.11900	15.5
221.04517	2.7
224.89406	1.2
241.09740	1.6
259.02390	1.9
259.11777	2.2
277.12265	100.0
278.12473	7.1
283.11026	2.3
301.03329	1.8
306.07550	1.3
327.09918	2.5
377.18158	11.7
385.07913	1.5
413.36038	1.4
419.60147	1.4
421.16653	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61306	0.3
58.04060	0.3
59.01252	100.0
59.59602	0.4
60.01579	1.2
60.13266	0.3
61.98703	0.9
71.01250	5.0
71.52927	0.5
72.99193	0.6
73.02810	1.7
75.00757	0.7
80.11784	0.4
83.01278	0.8
85.02838	2.1
87.00776	0.4
89.02329	0.8
93.03349	0.5
97.02853	0.5
99.00784	0.5
99.92039	0.3
101.02305	2.7
102.98517	0.4
109.02879	0.6
113.02338	1.7
120.99574	0.7
125.02393	0.4
135.04417	1.1
137.02353	0.6
140.30052	0.3
143.03426	0.4
157.12335	0.6
159.02959	0.4
161.04449	2.4
163.07547	0.4
173.04544	1.3
173.79494	0.3
186.90070	0.4
191.00925	0.4
191.05597	0.6
198.33577	0.3
199.13379	2.2
246.09778	0.4
259.09079	0.4
301.16769	1.3
319.17603	6.4
320.18207	0.7
361.18661	3.8
361.22162	0.4
362.19183	0.6
403.27225	0.8
421.28830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74121	0.4
59.01251	100.0
60.01594	1.7
61.98705	1.8
64.82600	0.5
65.92357	0.4
69.90543	0.5
71.01258	2.5
73.02833	0.7
74.89304	0.5
75.00767	0.5
85.02837	0.9
89.02328	0.7
93.03333	0.7
97.70376	0.5
101.02345	1.7
109.02822	4.5
113.02316	1.0
118.97997	1.1
124.01600	0.8
137.02386	0.8
140.92465	0.5
161.04553	0.8
173.04500	0.7
178.17418	0.5
187.33752	0.5
214.06427	0.7
215.07068	1.7
240.04256	0.8
244.07504	0.9
258.05362	1.5
259.06268	0.6
259.09872	1.0
290.07132	0.5
301.16641	0.6
319.17624	2.9
361.18533	2.4
385.98544	0.5
421.11353	5.4
421.24451	0.8
422.11859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
60.98576	0.4
71.23379	0.8
78.95776	32.1
80.14391	0.4
80.96397	0.9
98.95669	0.4
108.75192	0.4
110.98418	50.0
112.28011	0.4
152.99496	4.4
164.20847	0.4
167.01071	1.9
173.56256	0.5
185.02132	100.0
186.02461	2.8
220.30530	0.4
253.21704	25.4
254.22005	2.6
261.83456	0.5
303.79477	0.5
305.43021	0.4
421.23947	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90675	0.6
55.92950	0.7
57.03314	2.0
58.00465	1.1
59.01251	33.0
60.01573	0.7
61.98703	0.6
69.44355	0.6
70.43644	0.6
71.01251	16.2
71.04888	2.2
71.53065	0.8
72.99170	2.4
73.02827	0.8
73.09156	0.6
83.01255	1.0
83.04887	0.8
85.02827	4.2
87.00742	1.3
87.04450	0.8
89.02324	13.3
95.01244	1.0
96.95858	1.0
99.00726	0.7
101.02324	10.2
101.05976	1.1
113.02322	5.0
113.25384	0.8
119.03385	6.4
141.12753	10.9
161.04341	0.7
169.15923	1.1
179.05449	0.6
183.17583	0.7
185.15427	1.3
213.18588	1.9
241.18074	9.6
257.17502	0.8
259.19107	11.0
260.19452	1.3
403.23187	2.0
421.24432	100.0
422.24829	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	421.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46062	0.3
53.33334	0.4
56.22309	0.3
59.01242	0.6
61.98704	100.0
69.16898	0.4
71.23790	0.7
111.10838	0.3
190.30688	0.3
221.17500	0.4
239.76033	0.4
259.06738	0.4
278.98282	0.4
401.54877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91587	0.3
58.11938	0.3
59.01247	1.0
61.98704	100.0
64.23487	0.3
66.30390	0.3
135.17505	0.3
170.96567	0.3
190.16101	0.3
253.21788	1.2
425.55289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.5
57.03317	5.4
58.00488	1.7
59.01252	54.8
61.98700	2.7
69.03321	3.4
71.01259	71.3
72.99189	6.0
73.02827	33.7
75.00755	3.0
81.03347	2.0
83.01259	14.0
85.02830	35.2
86.00007	2.8
87.00748	5.1
89.02323	12.3
89.67486	1.5
93.03339	7.2
95.01277	5.4
97.02823	5.0
99.00764	15.6
99.04361	1.7
101.02331	72.2
109.02808	2.3
110.01881	2.6
111.00759	2.9
111.04385	1.9
113.02352	25.7
115.84022	1.9
125.02351	4.8
129.01817	3.3
131.03377	2.6
137.02325	2.2
143.03412	2.9
151.81984	1.6
159.02892	4.9
161.04474	25.0
162.04855	2.5
173.04510	10.7
191.05460	2.3
206.44617	1.9
219.06624	2.1
233.06581	4.8
249.13377	3.4
289.07101	3.4
291.18161	100.0
292.18491	7.4
293.12445	2.1
341.10626	5.0
369.01056	1.7
380.38168	2.2
423.22379	94.5
424.23172	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	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96027	0.3
69.81559	1.6
75.79558	0.3
78.95780	14.1
104.97321	0.8
105.55401	0.4
110.98414	10.3
137.00023	0.4
152.99510	0.5
155.12262	0.3
166.99663	0.7
167.01073	11.1
167.47206	0.3
168.01440	0.4
173.89278	0.3
185.02193	2.6
255.23280	100.0
256.23627	11.1
279.87741	0.3
423.25189	15.5
424.25629	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27174	0.4
59.01263	0.8
61.43757	0.3
61.98705	100.0
67.93581	0.4
70.64814	0.5
70.65112	0.3
95.16103	0.4
138.62227	0.4
172.96556	0.4
178.98424	0.4
201.08791	0.4
221.29477	0.4
243.26308	0.4
371.97372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.9
61.17900	0.8
61.98704	100.0
69.70232	1.6
69.70650	3.8
71.01250	1.6
73.02806	1.1
83.78813	0.8
85.02798	1.2
85.63456	0.9
93.79462	0.8
95.20222	0.8
95.64535	0.9
101.02306	1.2
107.87240	0.9
124.79820	1.0
125.02348	1.4
131.79028	0.9
133.73375	0.9
134.34970	1.0
138.39435	0.9
155.10701	8.3
173.04424	1.1
184.21640	0.9
198.23013	1.1
199.09671	16.5
200.10048	1.1
221.11716	0.9
231.10207	1.3
232.39459	0.9
241.10759	1.2
253.82550	1.0
259.55573	0.9
262.22858	1.0
263.12653	1.1
275.09241	1.5
280.56213	0.9
361.15005	1.6
396.35675	1.0
404.51587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.7
64.60081	4.1
65.99725	6.0
68.79277	4.1
69.24093	22.8
69.24516	12.4
71.01225	3.4
72.99178	16.7
75.01785	3.9
85.02820	12.3
87.00771	4.4
93.03324	16.6
107.04831	4.3
109.02883	6.2
121.02833	6.8
123.04438	7.0
128.01015	3.7
135.04378	9.7
137.02364	9.9
146.05939	4.9
148.03983	7.2
149.02359	5.2
151.03905	10.7
160.03886	5.6
163.03896	18.1
165.05533	4.5
165.35585	4.0
173.04460	74.3
173.85437	4.1
178.05025	19.8
181.05034	4.6
184.76805	4.2
190.04997	37.3
191.03813	6.1
191.05547	100.0
192.02887	7.2
194.29774	4.2
195.38063	4.3
208.06075	16.0
216.02969	13.2
234.03996	25.5
239.67255	3.9
240.17961	4.3
252.05078	48.4
399.74756	4.4
408.09152	5.3
426.10324	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77400	0.7
55.01778	1.2
57.03310	1.7
59.01251	50.6
69.03322	2.0
70.40089	1.3
70.40431	1.4
71.01255	25.7
71.04868	0.9
72.99195	2.0
73.02820	32.5
75.00745	3.2
79.05428	0.8
83.01262	7.1
83.04891	1.8
85.02814	6.2
87.00776	1.1
87.04366	0.9
89.02328	4.6
92.50385	0.7
93.03341	1.6
95.01268	1.3
95.04877	0.9
97.02820	3.3
97.06463	2.1
99.04420	2.5
101.02320	19.9
105.19894	0.8
109.06469	2.1
109.75774	0.8
111.04414	1.0
113.02336	9.9
119.03382	2.2
120.05718	1.9
121.06479	1.4
124.05208	1.2
125.02348	2.3
125.05978	2.4
127.07548	1.9
131.03380	1.7
133.10121	3.4
134.45383	0.8
135.04404	0.9
135.11699	17.8
137.02408	0.9
137.09625	1.0
140.10686	1.9
143.03363	2.1
143.08600	1.2
146.07274	2.4
149.04453	1.3
149.09578	1.3
152.04620	0.8
153.09091	3.1
155.03435	1.1
159.08049	1.4
159.11705	4.1
161.04492	3.5
161.09642	25.5
162.10010	1.4
163.11153	0.8
171.06573	1.7
173.04515	1.9
175.11206	1.3
177.12726	4.7
179.10709	100.0
180.11090	6.7
184.09737	1.3
191.05664	1.0
193.12244	2.1
193.43855	0.8
203.10727	6.2
205.08647	2.8
205.12331	5.0
221.11842	5.7
223.09724	79.1
224.09996	5.3
245.11871	0.8
265.10812	8.0
265.13470	0.9
265.14389	0.6
324.18863	0.8
354.44324	0.9
367.17596	0.9
385.18582	1.3
427.15381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	94.2
58.00451	1.0
58.03669	1.3
58.94634	1.0
59.01250	100.0
60.01588	1.4
69.03321	1.2
69.23503	9.1
71.01251	16.4
73.02823	6.5
81.03344	2.5
83.01257	3.8
85.02830	4.9
87.00749	1.1
89.02319	15.1
95.01271	2.1
99.04395	86.1
100.04755	1.7
101.02320	28.4
106.91470	1.1
109.84062	1.0
113.02322	11.0
118.44408	0.9
119.03415	5.4
125.02335	30.6
125.09911	0.9
131.03439	1.8
135.11679	1.3
143.03380	2.8
158.40181	1.0
161.04414	3.9
161.09692	1.5
173.04500	1.4
179.05499	4.2
179.10706	2.6
185.00819	1.7
205.12253	1.8
223.09682	4.0
283.02426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64438	0.2
55.01757	0.3
57.03327	1.1
59.01252	100.0
60.01595	1.0
69.03323	0.7
71.01253	8.7
71.09424	0.4
72.99198	0.4
73.02826	2.4
83.01277	1.1
85.02827	4.9
87.00750	0.7
89.02309	2.3
93.03364	0.8
95.01291	1.0
97.02838	0.7
99.00773	0.8
101.02328	3.5
109.02840	0.3
110.26399	0.3
111.04428	0.3
113.02330	8.1
119.03396	0.4
122.02384	1.1
123.08071	0.7
125.02317	0.5
135.04376	0.5
136.05222	0.9
137.02309	1.6
137.06097	0.3
138.06833	1.7
139.07613	0.6
143.03415	0.5
149.04524	0.2
151.07558	2.6
152.04718	0.3
152.08339	8.4
153.09126	14.3
154.09515	0.6
158.56967	0.3
161.04489	2.6
163.11266	0.7
165.09161	0.7
168.07932	0.3
173.04514	0.4
181.12306	0.4
187.11342	0.4
190.09966	0.7
191.05548	0.5
203.51941	0.3
205.05119	0.5
205.12279	11.5
206.12642	0.8
223.13345	4.7
223.15353	0.4
224.13617	0.3
247.13474	0.3
367.17590	5.9
368.18130	1.0
385.18723	1.0
427.19757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
55.22085	0.5
57.03322	1.8
58.00471	1.1
59.01252	100.0
60.01586	1.5
67.21606	0.6
69.03337	1.6
69.20117	1.4
69.20515	3.4
71.01253	41.0
72.01587	0.9
72.99182	2.2
73.02821	37.2
75.00774	0.9
83.01256	11.1
83.01714	0.7
85.02814	6.7
87.00764	2.0
89.02319	12.0
89.02835	0.8
93.03330	0.7
95.01283	1.9
97.02850	1.4
98.20596	1.1
99.00771	1.2
101.02322	36.6
102.02702	0.8
109.02908	0.6
110.83024	0.5
111.04397	0.5
113.01552	0.9
113.02327	17.1
113.05919	0.5
119.03407	5.4
123.08067	1.6
125.02367	1.8
125.09667	0.8
131.03392	2.8
135.04510	0.6
135.08089	1.2
135.11745	0.5
143.03406	2.9
147.08136	1.5
149.04486	2.9
152.71265	0.5
153.09117	8.7
153.82805	0.5
155.03442	1.2
161.04463	8.7
161.09662	1.7
163.11314	0.7
165.09125	0.5
173.04501	1.3
179.03448	0.5
179.05586	2.3
179.07071	0.7
179.10667	4.4
187.11282	1.7
203.05603	1.0
203.10732	1.0
205.12292	13.8
206.12599	1.2
223.06204	1.5
223.09789	1.6
223.13451	2.1
251.13013	0.5
265.14371	0.9
301.89761	0.6
367.17691	3.4
385.18573	6.0
386.18942	0.7
427.19662	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53951	0.8
57.03329	0.9
59.01250	100.0
69.03335	0.9
71.01256	20.4
73.02821	20.3
83.01263	6.7
85.02832	5.4
89.02319	5.6
95.01252	1.4
97.02865	1.6
99.00739	1.0
101.02319	20.3
105.54208	0.9
108.05666	0.9
113.02339	12.0
113.05973	1.3
119.03390	2.4
123.08031	1.1
125.02352	1.0
131.03397	1.6
136.05151	1.7
138.06798	6.1
139.07533	2.0
143.03395	1.5
149.04468	1.4
151.07590	7.9
152.08324	14.9
153.09125	44.0
154.09483	2.4
159.96017	0.8
161.04451	6.1
165.09105	1.4
205.12297	17.1
206.12593	2.1
210.81186	0.8
223.13338	5.8
329.88174	0.9
367.17493	4.9
385.18829	3.3
427.19305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68303	1.4
52.56746	1.7
59.01252	100.0
74.87811	1.5
111.24532	1.6
131.04071	1.6
293.21249	6.1
306.83392	1.7
322.50143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.07302	1.0
60.01564	0.9
61.05583	0.9
72.69917	1.0
78.86845	0.9
82.90852	0.9
91.03884	3.3
92.44125	1.2
144.59544	0.9
161.33673	1.0
204.89557	1.3
259.10037	1.0
275.20120	1.8
293.21219	11.1
294.21545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
62.94774	1.9
65.90420	1.9
71.51901	3.4
71.52317	3.0
74.19040	1.9
134.80965	1.9
137.14944	2.0
195.91124	2.3
293.21255	12.0
351.09250	2.5
389.86047	2.2
394.36438	2.2
421.78491	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	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.0
57.03326	16.3
59.01250	5.4
65.90365	0.7
67.01756	1.5
68.99670	0.9
69.03329	1.1
69.24187	7.5
71.01264	7.7
72.99171	1.4
73.02820	2.7
75.00748	1.4
83.01266	7.2
83.56300	0.7
84.02045	2.7
85.02825	100.0
86.03172	1.9
87.00732	0.9
93.03336	0.7
97.02895	0.7
97.67378	0.7
98.20548	1.9
99.00801	1.0
101.02330	4.4
103.18778	0.7
109.02802	0.8
109.60179	0.9
111.00768	25.0
112.01061	1.2
113.02314	0.8
121.02847	1.7
129.01834	41.5
130.02139	1.6
134.03638	0.9
147.04443	0.8
149.02345	8.1
149.05963	1.2
161.04439	3.4
163.03893	0.9
164.04723	5.2
166.57741	0.8
173.04483	0.8
177.03870	1.1
179.07060	0.9
182.09163	0.7
187.02455	1.5
193.04991	0.9
205.03473	24.8
208.03702	1.5
223.04323	14.4
223.06187	5.9
224.04883	1.1
238.27911	0.8
429.14499	1.1
440.76138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.9
57.03326	15.6
58.82716	1.1
59.01250	40.1
69.03334	2.3
69.25242	5.2
69.25669	5.1
71.01255	16.5
72.99213	2.8
73.02826	5.8
75.00754	1.9
83.01254	8.7
84.02031	2.0
85.02824	77.3
86.03165	1.4
87.00771	3.7
89.02316	2.6
93.03337	6.3
97.02816	1.8
98.20580	2.4
99.00761	1.7
99.04466	1.4
101.02319	11.5
111.00764	32.6
111.01489	2.4
111.04348	1.6
113.02332	3.9
121.02815	1.2
125.02324	1.8
125.15606	1.2
129.01834	33.5
137.02356	2.2
140.27722	1.3
143.03427	1.3
147.02911	2.7
149.02377	5.6
151.07523	2.6
152.01129	1.6
155.03442	1.2
161.04485	3.2
163.11256	2.6
164.04729	6.0
173.04472	25.7
179.03418	1.9
185.00929	1.4
186.07317	1.1
187.02478	2.7
191.05525	4.8
205.03474	37.3
211.06232	1.8
223.04523	100.0
224.04889	5.6
387.16467	1.6
429.17877	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42567	0.6
53.70736	0.6
55.01752	4.8
55.98758	0.6
56.00854	0.6
56.42545	0.6
57.03325	14.9
59.01255	3.1
67.01767	0.9
68.99698	0.7
69.61044	4.4
71.01254	6.4
72.99192	1.5
73.02822	2.2
75.00742	1.2
83.01260	8.3
84.02044	2.5
85.02824	100.0
86.03164	1.9
97.24940	0.7
101.02324	4.9
103.03860	0.7
111.00766	26.6
121.02821	1.3
129.01830	43.6
149.02341	8.9
161.04503	3.3
164.04718	4.5
167.84921	0.7
173.04468	1.1
185.50659	0.7
187.02409	1.6
191.05573	0.8
193.01349	1.0
205.03468	26.5
223.04369	19.2
223.06181	4.2
226.01126	0.7
287.40594	0.6
369.79187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22854	1.4
55.01760	5.5
57.03323	16.7
59.01251	12.5
59.40538	1.7
63.60492	1.5
69.64068	10.0
71.01256	12.2
72.99188	2.8
75.00768	1.8
83.01259	7.6
84.02026	2.1
85.02823	84.7
86.03130	2.0
87.00758	2.2
89.02310	1.8
101.02314	7.4
111.00767	32.1
121.02802	1.7
124.82735	1.9
129.01846	31.5
147.02856	2.9
149.02350	10.6
151.03909	2.0
161.04474	2.4
164.04695	4.8
187.02338	2.4
191.05528	2.8
205.03461	32.9
223.04520	100.0
224.04884	3.3
275.89374	1.5
317.25952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.7
58.00463	0.8
59.01252	36.3
68.26308	0.6
69.03317	1.5
71.01254	9.1
71.54050	1.3
73.02819	16.2
75.00751	0.6
83.01246	1.6
85.02819	4.7
87.00733	1.6
87.04357	0.6
88.01926	0.6
89.02316	2.0
93.03298	0.8
95.01231	0.6
95.04895	2.8
96.95869	0.6
97.02816	1.5
97.06506	0.7
99.00757	1.3
99.04403	1.2
101.02340	4.8
109.06480	1.1
111.08031	0.9
113.02356	3.5
113.05959	0.8
113.66241	0.5
122.58479	0.6
125.02305	1.1
125.09650	1.1
129.09084	0.9
133.15390	0.8
135.04350	0.9
155.10640	1.4
161.04515	1.2
161.09627	1.3
163.11191	11.5
173.04517	0.7
179.10638	0.8
181.12262	70.0
182.12595	4.2
195.13852	1.0
203.34233	0.7
205.12300	0.7
207.10196	2.4
223.13277	1.5
225.11272	100.0
226.11623	6.6
249.11267	1.7
267.12335	3.3
285.20807	1.8
343.25040	1.2
429.16422	1.1
429.25269	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.6
64.48561	0.4
70.39184	0.6
99.92470	4.7
100.92612	0.5
100.93217	2.1
115.91962	100.0
115.99857	0.4
116.91966	5.4
116.92751	5.8
132.92223	1.2
142.94385	0.3
172.95410	5.3
255.23296	0.9
273.78387	0.4
301.80075	0.4
355.15710	0.5
371.15707	0.4
381.17542	0.8
411.18497	0.5
429.19492	4.2
430.19666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	15.6
57.03323	12.6
58.00467	2.9
59.01250	45.0
60.01574	0.6
60.99190	0.3
61.98695	0.6
64.27736	0.3
65.03842	0.7
67.01756	1.7
68.01281	0.3
68.99691	5.2
69.03323	12.0
70.03659	0.4
70.51257	0.6
71.01253	100.0
71.04874	0.5
72.01593	1.4
72.99181	12.7
73.02818	33.0
74.90452	0.3
75.00754	2.4
79.05399	0.8
80.02496	0.4
81.03326	8.5
82.51466	0.4
83.01258	20.5
83.04399	0.5
83.04900	9.3
83.95229	0.4
84.01616	0.4
84.02042	3.2
84.55686	0.3
85.02821	98.3
85.99978	0.8
86.03163	2.1
87.00749	80.4
87.04385	0.4
88.01078	0.7
89.02319	18.0
91.92236	0.3
93.03333	11.7
93.14007	0.4
95.01260	11.5
95.04899	6.1
95.67680	0.3
97.02832	13.0
97.06464	6.1
98.03146	0.6
99.00757	48.4
99.04392	2.9
100.01092	1.1
101.02323	46.3
101.76317	0.3
102.02642	0.7
105.03373	1.0
107.04904	5.5
108.02052	14.0
108.05188	0.4
109.02846	6.3
109.06480	0.9
110.03629	4.8
111.00768	7.7
111.04404	8.8
112.01581	3.4
113.02330	96.8
113.05962	1.4
114.02626	2.2
115.00280	0.5
115.03881	2.9
118.60286	0.3
119.03384	3.5
121.02837	4.8
121.06470	0.7
122.03606	0.4
123.00751	0.7
123.04409	35.1
124.01566	2.6
124.04770	1.3
125.02344	15.3
125.05976	19.3
126.06288	0.8
127.00314	0.5
127.03907	1.0
127.07522	0.7
129.01833	8.5
130.02164	0.4
131.03387	4.9
133.02885	0.6
135.04411	3.5
137.02357	3.6
137.05956	0.7
137.09581	0.5
138.03151	0.7
139.00282	0.5
139.03914	9.2
141.01839	2.2
141.05472	12.3
142.05734	0.4
143.03400	24.8
144.03729	0.5
148.05254	0.3
149.02312	0.9
149.04448	0.5
151.03903	5.8
152.00739	0.4
153.01891	0.6
153.05492	5.5
153.12686	0.4
155.03389	1.7
155.10678	0.4
159.02899	6.7
160.03294	0.3
161.02374	0.7
161.04466	18.1
162.04778	0.4
165.01843	0.6
165.05562	0.5
167.03365	2.2
169.04965	9.4
170.84447	0.4
173.04439	4.3
179.03410	0.8
179.05550	0.4
181.04921	0.7
185.00797	1.0
191.05513	1.7
193.12186	0.4
197.04448	1.4
201.03934	0.4
203.05501	1.4
205.03510	0.7
205.07141	2.3
211.13420	0.5
215.05530	3.4
218.04308	1.2
219.05064	2.3
233.06622	9.8
234.06970	0.4
257.06476	0.4
274.06940	0.8
275.07632	1.0
276.07742	0.4
285.20554	0.4
315.18231	2.0
324.12653	0.6
347.88733	0.4
355.17581	1.7
369.19070	0.4
387.19962	0.9
411.20169	0.4
429.12744	1.0
429.21155	18.1
430.11923	0.4
430.21680	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30051	0.2
50.42282	0.2
55.01759	0.4
57.03337	0.7
58.00485	0.5
59.01252	100.0
60.01594	1.4
69.03330	3.7
71.01255	8.8
71.02349	0.6
72.99188	0.6
73.02822	4.5
73.03197	0.4
83.01257	1.4
85.02832	2.7
87.00770	0.7
87.98858	0.2
89.02321	4.1
95.01293	0.9
97.02860	0.9
99.00755	1.7
101.02331	6.2
102.09518	0.2
113.02338	5.2
114.02682	0.4
119.03406	1.7
125.02377	0.3
135.04463	0.6
137.09686	0.5
143.03418	0.7
149.04488	0.3
155.03471	0.3
161.04497	1.7
173.04521	0.4
173.73036	0.3
185.00833	2.3
189.12987	0.3
191.05652	0.6
195.13843	0.3
203.05777	0.3
207.13931	1.0
225.15036	1.2
226.15352	0.3
369.19186	3.1
370.19501	0.4
387.20218	3.6
390.40247	0.3
429.13861	0.5
429.21683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03313	1.3
58.00472	1.0
59.01250	100.0
59.69800	0.3
60.01588	1.3
68.37663	0.3
69.03332	1.6
71.01254	31.7
72.99178	1.7
73.02818	32.6
74.03158	0.6
75.00758	1.2
76.28690	0.3
81.03373	0.5
81.77594	0.3
83.01252	8.6
83.01715	0.6
83.04935	0.5
85.02820	7.1
87.00771	1.3
88.98491	0.4
89.02316	9.2
89.73722	0.4
93.03331	0.5
95.01253	2.6
97.02838	1.0
97.53266	0.3
98.11443	0.3
98.19744	0.7
99.00764	0.7
101.02321	30.5
102.02662	0.4
107.04935	0.5
111.00838	0.3
113.02332	18.5
114.02692	0.5
114.63214	0.4
115.03902	0.3
119.03379	3.1
125.02348	0.8
128.52863	0.3
131.03392	3.4
135.04453	0.4
137.09578	0.4
143.03430	2.2
149.04448	2.9
155.03430	0.9
161.04456	6.7
161.05643	0.5
169.57368	0.3
170.65759	0.3
173.04486	0.5
179.03529	0.5
179.05609	0.8
191.14510	0.6
205.12398	0.4
207.13963	1.1
221.06676	0.7
223.13251	2.1
224.13637	0.4
225.14882	0.6
230.33524	0.4
267.12473	2.5
267.16046	0.7
273.14749	0.5
313.11551	0.4
325.16699	0.5
369.19235	0.7
387.20508	1.3
396.55963	0.4
401.26508	0.3
429.25458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67477	0.3
55.01763	0.3
57.03327	0.9
58.00461	0.4
59.01253	100.0
60.01583	0.8
60.56875	0.2
66.91852	0.3
69.03337	0.3
71.01257	9.8
71.53410	0.3
71.53804	0.3
72.99207	0.4
73.02820	2.6
77.21004	0.3
83.01284	1.2
85.02826	3.5
87.00771	0.6
89.02319	5.4
95.01289	1.0
97.02848	0.3
99.00766	0.7
101.02324	5.0
102.32983	0.3
108.11485	0.2
111.57172	0.2
113.02338	6.6
119.03386	2.5
121.28409	0.3
123.08109	0.4
125.02341	0.5
131.03406	0.5
143.03464	1.0
155.10759	0.4
161.04474	1.5
179.05579	0.6
189.12860	0.5
195.13913	0.7
206.61705	0.4
207.14014	0.6
225.14964	1.7
369.19208	5.6
370.19501	0.6
387.20245	8.1
387.24963	0.4
388.20682	1.2
429.21368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03319	2.6
58.00466	1.1
59.01250	100.0
60.01590	1.4
61.59060	0.5
69.03332	0.8
71.01253	24.3
71.04853	0.4
72.01612	0.6
72.99184	1.3
73.02821	9.0
83.01258	4.1
85.02823	10.1
87.00759	2.0
89.02319	15.3
95.01266	1.9
97.02863	0.9
98.20735	0.7
99.00785	1.3
101.02320	18.0
113.02328	11.0
113.79006	0.4
119.03397	4.8
125.02332	0.6
131.03415	0.8
131.58287	0.5
137.09636	1.3
143.03442	1.2
151.11263	0.5
152.08345	0.8
153.12801	0.5
159.02885	0.7
161.04495	1.5
163.11179	0.5
179.05632	0.4
181.06474	0.5
181.12318	0.6
195.13930	0.8
197.15472	1.5
207.13841	2.6
225.05356	0.4
225.14888	10.0
227.16574	0.4
229.92500	0.5
345.80856	0.4
355.74057	0.4
369.15140	0.5
369.19153	26.2
370.19604	3.4
387.20239	40.3
388.20581	5.5
429.21271	10.4
430.21744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64215	0.6
55.01753	0.6
56.83854	0.5
57.03312	1.0
58.00471	1.4
59.01252	100.0
60.01586	1.4
69.03335	1.4
71.01255	32.8
71.09779	1.0
72.99216	1.1
73.02818	55.6
74.03143	1.1
83.01259	13.8
85.02825	4.6
87.00768	1.1
88.24510	0.5
89.02320	7.6
95.01273	1.4
96.35497	0.7
97.02855	1.3
99.00761	1.0
99.91492	0.5
101.02325	46.8
102.02687	1.0
104.49028	0.6
113.02332	14.6
113.03067	0.8
119.03410	5.0
125.02348	2.6
131.03387	3.9
138.98456	0.6
143.03432	4.2
149.04463	4.6
155.03394	0.9
161.04459	11.8
191.14400	1.2
203.05568	1.4
207.13875	1.2
208.32610	0.6
216.13470	0.7
221.06674	2.2
231.13950	1.2
249.15067	1.0
267.06775	0.8
273.15314	0.7
343.24786	3.4
344.25351	0.7
369.19321	0.9
370.09470	0.6
389.60519	0.6
410.45959	0.6
429.20810	0.7
429.25473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01584	1.4
61.98724	0.8
71.01258	1.6
73.02809	0.9
75.00727	0.6
77.97504	0.6
83.01247	0.9
85.02822	1.2
86.13630	0.7
87.26439	0.6
89.02309	1.1
94.62449	0.6
101.02335	0.6
107.01280	1.6
109.99566	0.7
113.02334	0.9
125.02319	1.0
136.09952	0.6
151.00290	3.6
152.01016	1.3
157.11247	0.6
178.99757	4.2
262.50153	0.8
310.67337	0.7
311.92862	0.6
385.12390	0.8
429.11737	1.0
429.25665	0.7
429.32755	0.8
449.43402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09566	0.3
54.08331	0.3
55.01746	0.6
57.03318	1.3
58.00464	1.3
59.01252	100.0
60.01585	0.9
62.33329	0.4
67.01786	0.4
69.03341	1.5
71.01256	36.3
71.06264	0.9
72.01594	0.5
72.99180	1.9
73.02821	33.3
74.03159	0.5
75.00763	0.9
75.91502	0.4
83.01257	10.0
83.04908	0.4
85.02830	6.4
85.94819	0.3
86.56673	0.3
87.00764	1.3
87.04407	0.7
89.02316	9.9
89.76988	0.3
93.03338	0.6
95.01268	2.5
97.02870	1.1
99.00777	0.8
99.04420	0.6
101.02325	31.9
102.02657	0.7
109.02865	1.0
111.08068	0.3
113.02331	17.8
114.02701	0.4
119.03386	4.0
125.02373	1.2
125.94350	0.3
131.03397	3.5
135.04410	0.6
137.09618	0.6
143.03404	2.1
147.02911	0.5
149.04460	2.9
153.09242	0.5
155.03456	1.2
155.10672	0.5
161.04456	7.5
161.09593	0.3
161.13409	0.4
163.11266	0.6
173.04561	0.7
179.03308	0.4
179.05597	1.1
179.10722	0.4
187.11259	0.5
191.05707	0.3
191.14325	0.6
203.05537	0.6
205.12341	0.4
207.13911	0.8
221.06660	0.5
223.13347	1.6
225.14989	0.8
249.14903	0.6
267.12448	1.6
267.16080	1.2
282.81845	0.3
294.38837	0.3
299.73834	0.3
337.42331	0.3
369.19009	0.7
369.23041	0.5
369.72360	0.4
387.20386	1.5
429.20932	0.7
429.25778	0.6
439.18777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42126	0.4
56.65327	0.3
57.03326	6.7
58.00475	0.6
58.67762	0.4
59.01252	100.0
60.01591	1.3
67.01762	0.4
69.03325	1.9
71.01255	10.8
71.04891	1.2
71.52937	0.6
72.99184	0.7
73.02819	7.5
81.06985	0.4
83.01270	2.2
83.04906	1.6
85.02824	6.4
85.06470	0.5
87.00765	0.9
87.04394	7.4
88.88580	0.4
89.02319	3.8
93.03368	0.5
95.01283	0.9
95.04929	0.6
95.11498	0.4
97.02812	0.7
97.06473	4.0
99.00780	0.5
99.04421	0.8
99.08035	10.8
100.08410	0.5
101.02328	6.8
101.05985	1.7
107.04912	0.5
109.02827	0.5
109.06484	2.9
111.04435	0.5
111.08057	2.1
113.02337	3.9
113.09608	2.5
119.03423	1.2
121.06511	0.6
121.10143	0.7
123.08040	4.8
125.09612	8.4
126.09952	0.5
127.07555	0.5
127.11186	0.9
129.09111	6.0
131.03435	0.6
135.04517	0.6
135.08054	0.6
137.09645	1.9
138.06813	1.4
139.07597	0.4
139.11229	0.6
141.09154	1.1
141.12790	0.5
143.03418	0.6
143.10701	7.1
149.04475	0.4
151.11249	0.9
152.08412	1.4
153.09131	3.8
155.10693	3.5
157.12296	1.7
161.04457	1.9
167.10701	3.2
169.12250	2.6
171.10196	2.0
173.04565	0.8
173.11807	0.8
179.10736	1.0
181.08699	0.4
181.12419	0.4
184.11072	0.8
187.13322	8.8
188.13620	0.8
193.12221	0.4
199.13550	0.4
207.13850	0.5
214.12105	0.5
215.12866	5.6
216.13632	6.3
217.14384	8.3
218.14870	0.9
219.17476	0.6
223.13438	0.5
225.14973	0.9
237.18727	1.1
245.17653	0.5
248.12764	0.5
249.15067	0.5
249.18713	0.8
263.20377	1.1
281.21362	0.7
307.22769	1.8
308.23578	0.4
313.24097	0.7
323.22415	0.8
325.23816	4.1
326.24106	0.5
341.23587	1.0
343.24884	76.1
344.25223	7.8
367.25211	1.0
369.19287	1.0
369.23105	1.9
385.26114	1.7
387.19922	0.6
387.24048	7.2
388.24384	0.8
429.25391	22.0
430.25516	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.37597	0.4
60.01591	1.4
73.23199	0.4
84.28793	0.4
89.02325	0.6
91.03883	2.0
123.72931	0.4
128.01212	0.4
139.81830	0.4
150.63504	0.5
195.13843	0.7
261.54520	0.5
277.21753	1.0
295.22797	13.0
296.23193	0.9
303.10779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01585	1.1
76.36285	0.7
89.02346	0.9
91.03923	1.3
98.19785	1.7
187.09781	0.7
295.22723	8.9
296.22992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.5
58.73725	0.2
59.01251	16.1
60.37376	0.2
69.30100	0.3
69.30499	1.5
71.01256	2.7
72.99199	0.4
73.02805	0.8
75.00755	0.5
79.49667	0.2
81.03361	0.2
83.01263	0.5
85.02818	1.4
87.00773	0.3
88.98647	0.3
89.02312	0.9
91.38761	0.2
91.48830	0.2
93.03335	0.6
98.19838	0.4
99.00725	0.5
101.02296	1.1
107.04934	0.3
113.02334	1.6
117.01830	0.2
117.03391	0.3
119.03397	0.4
119.04925	0.8
125.02327	0.4
137.02298	0.3
137.09575	0.2
141.06987	0.9
143.04924	8.9
144.05275	0.4
145.02821	0.4
147.90021	0.2
155.10696	0.8
155.63455	0.2
157.06483	1.4
159.08041	2.4
161.04482	0.6
173.04456	0.5
181.06497	0.8
182.07217	1.0
183.08095	3.2
184.05234	0.5
184.08366	0.2
185.06009	12.7
186.06374	0.7
191.05557	0.3
212.04518	0.2
212.79469	0.2
225.05643	0.6
227.07094	100.0
228.07437	8.1
251.06982	0.4
285.04306	0.2
311.09723	0.2
311.14325	0.3
371.11304	0.9
371.20691	0.7
389.12659	0.7
389.21820	0.9
431.15244	1.4
431.22672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93822	2.7
55.01754	6.6
57.03309	9.3
59.01252	71.2
69.63708	8.2
69.64110	6.3
71.01257	100.0
72.99174	4.7
73.02826	26.0
73.26297	2.4
74.03132	2.5
75.00746	3.2
83.01257	20.2
84.21424	2.2
85.02350	4.6
85.02827	52.9
87.00742	5.4
89.02313	22.7
93.89301	2.9
95.01250	5.8
97.02773	3.3
98.19807	4.6
99.00753	10.7
101.02327	83.7
113.02326	39.2
119.03366	7.9
125.02335	5.8
128.89641	2.3
137.02325	3.1
159.02844	4.9
161.04488	18.0
163.11186	3.2
165.00258	2.0
181.12242	9.1
303.94876	2.6
343.17468	3.9
387.16611	85.2
388.16904	14.0
431.15646	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
55.60137	0.3
57.03313	1.7
58.00465	1.0
59.01250	100.0
60.01585	1.0
66.97393	0.3
69.03336	1.4
69.53146	1.3
69.53571	1.0
71.01254	24.2
71.04894	0.8
72.01571	0.4
72.99186	1.4
73.02819	25.8
75.00739	0.4
81.03329	0.7
83.01254	7.2
83.04890	0.6
85.02824	4.2
87.00754	1.6
87.04391	0.9
89.02320	7.6
95.01245	1.6
97.02843	1.0
97.06446	0.5
98.20526	0.7
99.00782	0.8
99.04391	0.5
99.08049	0.7
101.02322	22.0
109.02830	0.4
109.06469	0.5
111.08060	1.4
113.02325	10.4
114.02705	0.5
115.03894	0.6
119.03371	3.2
123.02787	0.4
125.02344	2.4
125.09685	0.6
129.09164	0.6
131.03415	1.6
135.04414	0.6
137.02383	0.8
139.11203	0.6
141.00406	0.4
143.03397	2.1
149.02437	0.3
149.04433	1.8
151.03932	0.4
151.11208	0.4
153.09114	8.8
155.03426	0.8
155.10716	1.1
161.04468	6.6
165.01834	0.9
165.12796	0.5
167.03464	0.5
173.04404	0.7
179.03419	0.5
179.05542	0.9
185.07291	0.3
187.07593	0.4
187.13301	0.8
191.05550	0.4
191.14378	0.4
203.05569	0.5
209.11890	0.4
209.15396	7.0
210.15883	0.6
216.13718	0.4
222.06755	0.4
225.11334	1.0
227.11986	1.0
227.16438	0.9
297.21005	0.4
327.25540	0.9
345.26385	4.1
345.29785	0.4
371.20395	2.3
371.24719	2.3
372.24991	0.5
389.21719	1.5
389.25784	7.7
390.26105	1.0
431.27020	8.4
432.27072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17566	0.1
55.01767	0.3
57.03327	0.4
58.00479	0.2
59.01250	100.0
60.01590	1.1
69.03339	0.2
71.01254	6.1
71.04885	0.3
72.01601	0.2
72.99190	0.3
73.02818	2.0
75.00775	0.3
75.23626	0.1
75.60957	0.1
83.01243	1.3
84.77843	0.2
85.02819	3.2
87.00764	0.3
89.02309	1.4
93.03326	0.3
95.01283	0.6
97.02873	0.2
98.20586	0.6
99.00759	0.9
99.16595	0.2
101.02321	3.9
111.00783	0.2
113.02320	2.6
119.03391	0.4
125.02374	0.3
128.03838	0.2
132.99524	0.1
143.03432	0.5
151.03938	0.2
151.73764	0.2
155.10767	0.2
159.02954	0.4
161.02391	0.2
161.04451	2.1
161.05670	0.2
173.04480	0.2
179.05606	0.2
181.01454	0.1
183.02969	0.3
191.05521	0.2
204.19704	0.2
211.55460	0.2
227.07147	0.3
227.16606	0.2
329.11487	0.1
371.16461	0.1
371.20731	3.2
372.21161	0.2
389.21799	6.6
390.22015	0.8
419.35568	0.1
431.23346	0.8
432.23624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17566	0.1
55.01767	0.3
57.03327	0.4
58.00479	0.2
59.01250	100.0
60.01590	1.1
69.03339	0.2
71.01254	6.1
71.04885	0.3
72.01601	0.2
72.99190	0.3
73.02818	2.0
75.00775	0.3
75.23626	0.1
75.60957	0.1
83.01243	1.3
84.77843	0.2
85.02819	3.2
87.00764	0.3
89.02309	1.4
93.03326	0.3
95.01283	0.6
97.02873	0.2
98.20586	0.6
99.00759	0.9
99.16595	0.2
101.02321	3.9
111.00783	0.2
113.02320	2.6
119.03391	0.4
125.02374	0.3
128.03838	0.2
132.99524	0.1
143.03432	0.5
151.03938	0.2
151.73764	0.2
155.10767	0.2
159.02954	0.4
161.02391	0.2
161.04451	2.1
161.05670	0.2
173.04480	0.2
179.05606	0.2
181.01454	0.1
183.02969	0.3
191.05521	0.2
204.19704	0.2
211.55460	0.2
227.07147	0.3
227.16606	0.2
329.11487	0.1
371.16461	0.1
371.20731	3.2
372.21161	0.2
389.21799	6.6
390.22015	0.8
419.35568	0.1
431.23346	0.8
432.23624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	1.4
59.00962	1.7
59.01253	33.8
71.01254	19.2
72.99175	2.1
73.02808	2.6
76.55312	1.0
78.95766	4.2
83.01251	2.3
85.02821	5.7
87.00765	1.5
88.98676	1.4
89.02316	11.9
96.42764	1.3
98.92155	1.4
101.02335	10.9
113.02336	6.2
119.03371	5.2
125.73873	0.9
143.03532	1.3
152.99460	5.8
155.45697	1.0
223.20653	9.7
224.20979	1.3
238.76471	1.1
251.20135	4.3
265.21823	1.1
269.21219	44.7
270.21564	4.1
311.22330	1.1
431.26495	100.0
432.26840	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	432.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01247	3.5
61.98701	100.0
66.60789	0.5
71.01243	0.5
71.51569	1.0
71.51936	0.6
81.42601	0.5
99.30962	0.6
120.18420	0.5
152.01068	1.7
253.08669	1.1
271.09769	7.9
288.30328	0.6
314.34549	0.5
369.23093	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0775
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
56.12915	0.5
59.01249	14.9
63.72640	0.5
65.00191	1.4
70.76489	1.4
71.01225	0.6
83.01266	0.9
84.53220	0.6
103.67854	0.5
107.01272	2.6
108.02048	1.8
109.02831	2.0
111.74300	0.6
121.02805	1.6
122.03098	0.6
123.04420	0.6
124.01539	0.9
125.02337	0.8
131.84624	0.7
135.00786	1.3
141.88918	0.6
142.57719	0.7
148.01552	1.6
151.00285	10.8
163.00296	3.5
164.01059	1.0
178.99812	5.7
191.69032	0.6
192.88016	0.6
198.03085	0.8
199.03937	0.8
201.01938	0.6
201.05486	1.0
203.03520	0.7
211.04019	1.4
215.03322	0.6
226.02693	2.4
227.03485	3.4
228.03688	0.7
229.04903	0.8
243.02956	12.7
244.03419	1.2
245.04564	1.3
254.02194	3.6
255.02975	25.6
256.03238	1.3
271.02484	64.7
272.02869	6.1
273.03943	1.2
283.02362	1.6
299.01981	1.5
300.02744	100.0
301.03482	79.4
302.03854	6.0
421.35895	0.7
433.07733	88.6
434.08121	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03333	1.6
58.33111	0.5
59.01251	100.0
60.01590	1.4
62.92491	0.5
63.02260	2.7
64.17880	0.5
65.00198	9.0
69.03336	1.1
71.01250	9.4
71.04903	0.8
71.52969	0.6
72.99195	0.6
73.02814	3.6
78.78003	0.6
80.11940	0.7
83.01260	8.2
83.04872	0.7
85.02833	4.5
87.00788	0.9
89.02312	3.2
93.03340	6.6
95.01271	1.3
97.02868	0.8
99.00779	1.4
101.02316	6.0
107.01278	16.3
109.02853	0.6
113.02324	4.2
117.03326	1.3
119.03519	1.1
119.04919	33.6
120.05231	1.1
125.02362	4.2
128.46909	0.6
131.03465	0.6
135.04396	0.9
137.02330	1.0
137.09631	1.5
143.04881	1.2
145.02846	3.9
149.02309	0.9
151.00275	58.0
152.00647	1.9
155.10635	3.2
161.02354	0.7
161.04457	2.7
161.05959	1.5
165.01836	5.2
169.01318	3.6
169.08627	0.6
173.04469	2.0
175.00214	0.8
177.01817	3.8
178.02460	0.5
179.03465	1.3
183.07976	0.6
184.05186	0.7
185.06006	2.8
187.03926	2.8
191.05583	1.2
192.04294	0.5
193.01292	0.9
197.11798	0.9
199.09680	3.0
213.11287	0.6
227.07042	4.0
229.05037	0.6
255.41205	0.6
271.06125	96.9
272.06479	8.5
295.05902	1.4
301.03616	0.5
301.16550	1.8
313.05457	3.0
313.16547	0.6
331.17700	1.0
351.21808	1.9
391.22952	0.9
433.11279	8.2
433.20135	4.2
433.28595	3.0
434.11890	0.9
434.21701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03347	0.5
59.01252	17.5
63.02267	2.2
65.00192	6.9
66.21211	0.4
71.01250	2.6
71.32421	0.6
72.97159	0.4
73.02810	1.3
83.01262	5.0
85.02825	0.9
87.00793	0.6
89.02325	1.3
89.71283	0.4
93.03338	10.0
98.02435	0.4
99.04379	0.6
101.02335	1.5
107.01275	11.7
109.02868	0.8
113.02327	1.2
118.97952	0.5
119.04914	36.8
120.05243	1.2
120.29075	0.4
125.02318	1.6
131.01312	0.8
135.04420	1.6
137.02396	0.7
145.02856	1.1
146.03207	0.4
149.02438	0.5
151.00275	47.4
152.00603	1.9
153.01828	0.6
155.10712	1.1
161.04466	0.8
162.98193	0.5
163.92371	0.5
164.01117	0.9
165.01834	2.2
169.01340	1.8
173.04520	0.7
175.00266	1.5
177.01845	6.4
179.21555	0.4
185.05898	0.5
193.01404	1.0
211.79375	0.5
227.07176	0.5
245.79126	0.4
271.06116	100.0
272.06442	8.9
284.84036	0.4
295.06125	1.4
300.02780	1.0
301.03384	0.6
313.07159	2.2
314.07251	0.6
433.12033	0.9
433.20395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06874	0.6
57.03320	0.5
59.01249	10.0
61.98704	0.5
64.27395	0.5
69.68864	3.2
71.01245	2.4
71.91074	0.5
72.83070	0.5
73.02824	1.4
80.04926	4.6
83.04877	0.7
85.02826	1.3
94.06512	7.1
95.04937	0.5
96.00797	0.9
96.08062	1.8
97.01579	4.0
97.06473	0.7
98.02393	0.8
98.06046	0.7
98.19820	1.1
101.02334	1.5
104.04944	1.9
106.02865	0.8
106.06507	3.0
108.04456	1.6
109.01563	1.0
109.05213	2.3
110.06000	1.3
113.02338	0.8
120.04446	6.1
121.05231	1.7
122.06009	26.7
123.04392	1.1
123.06316	0.5
123.06861	0.6
124.03964	0.6
124.07578	29.2
125.07963	1.2
125.09603	0.9
126.05453	1.1
136.03935	7.7
136.07590	1.5
138.05524	1.8
140.07095	3.0
140.08128	0.6
148.03946	51.9
148.07631	1.1
149.04356	2.5
150.05510	12.4
151.05824	0.8
152.03372	1.2
152.07123	2.1
156.92183	0.5
162.05467	0.9
163.11194	0.7
165.12856	0.7
166.05014	13.1
168.06580	10.2
178.12227	0.9
181.12254	1.7
182.15291	0.6
184.06142	0.6
189.07935	0.6
194.04576	3.5
199.12312	0.8
209.11746	1.4
210.04066	4.0
213.06738	0.6
215.11859	1.5
218.11797	0.6
227.08250	0.7
228.05240	0.9
228.08888	0.9
229.13481	1.4
231.11369	4.9
241.05086	1.8
241.09868	1.3
243.11436	3.2
245.12695	1.0
254.06671	0.9
255.06610	1.5
255.11436	2.1
256.07358	1.1
271.09760	11.7
272.10043	1.2
273.12430	27.4
274.12650	3.3
275.10294	0.7
291.13498	30.7
292.13858	3.0
317.11429	13.1
318.11819	1.0
334.11768	1.4
335.12479	100.0
336.12744	9.6
389.20856	1.3
401.54770	0.6
433.19687	7.3
433.25696	4.6
434.20517	1.1
434.25955	0.7
443.51328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.3
64.70586	0.2
69.32507	2.2
71.01259	1.3
73.02830	0.4
85.02838	0.4
89.02335	0.4
91.05136	0.2
93.03293	0.3
96.91743	0.2
98.20539	0.5
99.25329	0.2
99.76267	0.2
101.02325	0.7
113.02345	0.4
119.04932	0.3
122.03647	0.8
127.51441	0.3
132.11380	0.3
142.65062	0.3
151.00298	0.5
159.12456	0.2
161.04515	0.4
187.07637	0.7
229.08641	5.3
230.09039	0.3
271.06207	1.0
325.62830	0.2
331.17722	0.5
360.41974	0.3
433.11261	0.5
435.82254	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
57.87566	0.2
59.01251	100.0
60.01579	1.1
61.98723	0.6
66.03071	0.2
69.03341	0.2
70.84646	0.5
71.01254	4.8
72.99184	0.3
73.02817	2.2
83.01273	0.9
85.02834	1.6
89.02318	3.5
93.03339	0.2
95.01286	0.9
97.02810	0.2
99.00784	0.4
101.02319	4.4
111.00790	0.3
113.02335	2.5
119.03380	1.6
123.00794	0.4
125.02345	0.6
131.03429	0.3
135.04451	0.3
137.02344	0.3
138.03140	0.3
139.00313	0.5
139.03851	0.3
143.03429	0.3
149.04463	0.4
150.03194	0.2
151.00314	0.4
161.04478	1.6
161.05775	0.3
162.27672	0.2
167.03526	0.3
173.04510	0.3
175.03973	0.3
177.01901	0.3
178.02640	0.3
179.05540	0.7
181.05054	0.3
189.01740	0.3
189.05391	0.2
191.03450	0.4
193.05040	0.7
207.06505	0.3
229.17982	0.3
256.07321	0.2
271.19202	0.3
358.10779	0.6
373.12851	2.1
373.22614	0.5
385.13098	0.3
391.23367	0.4
403.10056	0.5
403.14743	0.5
415.23364	0.4
418.12787	0.9
433.14926	3.3
433.23810	1.7
434.15771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25004	0.2
54.10837	0.2
55.01756	0.7
57.03324	0.6
58.00486	0.4
59.01252	100.0
60.01579	1.3
69.17682	2.4
71.01255	7.8
72.99181	0.5
73.02816	2.1
81.03355	0.3
83.01244	1.4
84.16863	0.2
85.02824	4.0
85.03294	0.3
85.99994	0.2
87.00758	0.7
89.02325	2.6
95.01296	1.0
97.02821	0.4
99.00760	0.7
101.02330	5.1
107.40417	0.2
111.00772	0.3
113.02341	4.0
119.03386	1.2
119.04978	0.2
123.00800	0.3
125.02341	0.5
137.02393	0.5
139.00351	0.5
143.03429	0.4
149.02365	0.3
150.57637	0.2
151.00352	0.3
151.03914	0.3
155.58847	0.2
159.02899	0.5
159.86029	0.2
161.04466	2.2
164.04701	0.4
166.02672	0.2
167.03378	0.2
167.14297	0.2
171.74109	0.2
172.84035	0.2
173.04486	0.4
177.01955	0.2
177.05745	0.2
179.05635	0.5
179.07082	0.4
191.05630	0.3
193.04990	0.4
197.11703	0.6
229.18062	1.8
271.02530	0.3
271.06134	0.5
335.17068	1.1
348.03717	0.3
373.13004	0.8
373.22311	6.2
374.22794	0.9
391.23355	6.0
392.23959	0.7
403.14511	0.3
418.12527	0.3
433.15222	0.9
433.24496	0.7
433.29346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03321	0.8
58.00472	0.3
59.01252	100.0
60.01579	1.4
69.03323	0.2
71.01257	7.4
71.04905	0.3
71.11357	0.3
71.88666	0.1
72.01618	0.3
72.99203	0.6
73.02822	2.7
75.00764	0.2
81.03355	0.2
83.01271	1.8
83.04893	0.1
85.02821	4.4
87.00751	0.6
89.02313	2.1
91.64829	0.2
93.03350	0.3
95.01276	0.9
95.18124	0.1
97.02802	0.3
98.55400	0.1
99.00766	1.0
101.02327	5.0
111.00771	0.4
113.02335	3.5
119.03404	0.9
119.04932	0.2
121.02870	0.2
125.02369	0.5
129.01857	0.4
135.04443	0.3
137.02382	0.3
138.03116	0.2
139.00250	0.2
143.03415	0.6
149.02338	0.7
151.00325	0.4
151.11934	0.2
155.10733	0.3
159.02943	0.4
161.04474	2.2
164.04764	0.6
167.03439	0.3
173.04532	0.4
173.11784	0.2
179.05629	0.3
179.07025	1.1
191.05551	0.4
228.07672	0.2
229.18085	2.1
230.18332	0.2
246.68056	0.1
247.04507	0.1
248.42468	0.1
255.73412	0.2
256.03857	0.3
261.77057	0.1
271.03122	0.2
271.06195	1.1
271.09039	0.1
271.19119	0.4
300.02859	0.4
301.03467	0.2
324.95004	0.2
331.17892	0.2
335.17090	1.6
348.94788	0.1
373.13321	0.3
373.17480	0.2
373.18298	0.1
373.22290	6.7
374.22610	1.1
391.23380	7.0
392.23761	0.7
433.11276	0.2
433.24048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
55.48123	0.4
58.00463	1.0
59.01253	29.3
61.98714	0.8
71.01254	15.1
71.52650	0.4
72.99165	2.6
73.02840	1.1
73.34414	0.5
73.92805	0.4
75.00745	6.9
78.95781	0.7
83.01253	1.3
85.02821	3.5
87.00753	0.9
89.02319	12.2
95.01258	1.5
100.03916	0.7
101.02329	11.2
113.02342	5.4
119.03386	5.1
152.99466	1.5
161.04326	0.6
223.20633	1.4
225.22191	28.2
226.22557	2.0
239.23784	0.8
253.21712	3.9
255.23126	0.6
267.23340	1.5
269.08124	0.5
271.22794	39.4
272.23102	3.5
313.23993	1.0
401.20425	0.5
433.28052	100.0
434.28381	15.0
440.66702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38331	0.4
59.01257	4.8
61.98705	100.0
69.03359	0.5
69.43248	0.4
71.01264	0.9
71.23323	1.0
73.02808	0.9
89.02334	0.5
93.03340	0.5
97.02894	0.5
99.15301	0.4
101.31375	0.5
121.02883	0.5
135.24538	0.4
137.02394	0.6
137.95718	0.5
161.02437	0.5
173.04602	0.6
184.38536	0.5
195.33473	0.4
258.27957	0.5
305.38388	0.5
371.24216	2.3
395.99646	0.5
434.26740	1.5
435.07611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03323	3.3
59.01249	37.8
60.01587	0.4
65.00198	1.0
67.01756	0.3
69.03326	0.7
69.59279	1.0
69.59689	0.7
71.01247	1.4
71.17354	0.3
72.21114	0.3
73.02806	0.7
75.45020	0.3
76.28809	0.3
81.03329	10.1
81.54472	0.3
83.01253	4.9
85.02844	1.1
89.02339	0.7
89.29042	0.3
93.03332	8.0
94.03627	0.2
95.01273	0.7
95.04898	0.6
97.02835	0.3
99.00750	0.6
99.04410	2.0
101.02325	1.2
107.01279	1.3
109.02829	0.7
111.04391	0.4
113.02330	0.6
115.00254	0.3
119.03469	0.4
119.04915	10.0
120.05312	0.4
121.02839	0.4
123.04408	32.5
124.04735	1.3
125.02338	15.2
126.02636	0.4
133.02832	0.4
135.04401	2.0
137.35191	0.3
139.03801	0.3
147.04372	0.3
149.02336	2.2
151.00284	3.2
151.03894	0.5
153.01830	1.2
155.10625	0.3
155.38869	0.3
161.02376	0.6
161.04405	0.3
163.03963	0.4
165.05438	0.4
167.03409	71.9
168.03752	3.4
173.04494	0.5
175.02446	0.5
179.03406	8.3
180.03822	0.5
184.82230	0.3
187.07587	0.3
189.01843	0.6
189.05534	1.6
190.02631	0.5
191.03465	1.1
191.05354	0.5
199.13416	0.5
211.07492	0.5
217.01540	0.6
229.08672	0.9
255.06546	0.8
273.07669	100.0
274.08011	7.9
297.07660	1.0
311.05658	0.3
333.19229	1.8
341.06711	3.4
375.20142	0.7
435.13190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
50.75359	0.3
51.21272	0.3
57.03326	0.3
59.01250	6.4
65.03833	0.4
71.01252	0.9
73.02834	0.4
85.02830	0.5
87.74769	0.3
89.02314	0.3
93.03345	2.6
101.02309	0.5
106.04144	0.3
107.04910	63.6
108.02058	1.1
108.05251	2.6
109.02863	1.3
119.04929	0.3
121.02846	27.5
121.86319	0.3
122.03634	43.3
123.03923	1.4
124.01543	3.5
131.04880	0.4
133.02870	0.6
135.04437	0.9
136.01550	0.8
137.02347	7.0
137.08711	0.3
147.04358	0.4
150.03142	3.6
151.03912	3.5
153.01814	0.6
154.02618	5.1
172.90300	0.3
178.51253	0.2
182.02141	4.5
183.02446	0.5
209.06149	0.3
211.07614	0.7
227.07091	1.1
229.08656	84.1
230.09018	5.8
241.08731	0.6
243.10223	0.3
253.08984	0.4
255.06607	2.3
271.09497	0.3
272.06927	0.7
273.07681	57.8
274.08038	4.5
283.09750	0.5
315.08810	0.9
341.06583	0.4
360.84036	0.3
417.11639	0.3
435.12943	100.0
436.13290	12.2
436.22565	0.3
458.48560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1298
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
57.03331	5.6
57.07983	0.7
59.01251	45.9
60.01579	2.8
60.53369	0.6
61.01669	2.0
61.98697	1.1
63.28103	0.6
64.88820	0.6
65.03828	1.4
69.51766	2.8
69.52191	2.0
71.01257	6.2
73.02819	1.8
74.82864	0.7
75.00714	0.6
79.05403	0.8
81.49977	0.6
83.01254	1.5
85.02835	3.2
87.00748	0.7
89.02293	1.9
93.03323	6.5
95.04937	0.7
98.19907	1.4
99.04391	4.9
101.02340	4.7
107.04910	100.0
108.02023	1.2
108.05254	2.6
109.02833	6.3
113.02317	1.3
119.04906	1.3
121.01970	1.2
121.02845	23.7
121.41793	0.6
122.03635	26.2
123.04465	4.3
124.01549	2.7
125.02361	2.1
133.02855	2.1
135.04398	2.8
136.01613	0.7
137.02361	6.0
145.02864	1.8
147.04416	1.9
149.02328	1.2
150.03134	6.2
151.00285	0.7
151.03925	4.1
154.02605	4.9
155.10701	1.4
161.04509	0.9
173.04532	1.9
176.01053	0.6
177.01837	9.4
178.02193	0.7
182.02144	6.9
183.02480	0.7
187.04001	0.8
189.01881	13.3
190.02660	3.2
191.03468	3.0
191.05353	0.6
198.95714	0.7
199.13345	1.9
203.03391	1.1
208.25142	0.8
209.06039	3.0
210.06862	1.0
211.07561	3.5
216.00677	2.5
217.01363	9.0
218.02058	1.1
219.02980	2.9
227.07062	3.8
229.08664	66.8
230.09027	4.5
231.02979	2.4
255.06609	4.6
271.05975	1.0
271.09814	0.8
272.06985	2.9
273.07730	35.8
273.11337	12.1
274.08112	3.3
274.11508	1.5
281.04715	1.1
289.07178	0.9
297.07678	1.6
311.05753	1.5
315.08917	1.8
341.06653	25.3
341.10736	1.3
342.07138	2.6
435.12997	94.2
436.13254	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	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39499	0.3
57.03337	0.6
58.54987	0.3
59.01249	100.0
60.01583	2.8
61.98705	2.6
63.56512	0.3
67.01763	0.5
67.48892	0.3
69.03323	0.7
69.29935	3.0
71.01251	1.5
72.99207	0.4
73.02816	1.0
73.76967	0.3
75.00749	1.3
82.40467	0.3
83.01242	0.4
85.02841	0.8
87.00761	0.7
89.02342	0.5
90.99196	1.9
93.03344	0.6
95.04855	0.7
97.02878	0.5
97.06490	0.3
99.00795	0.3
99.04386	0.5
101.02305	1.6
107.04905	0.4
109.02868	0.6
109.54312	0.3
113.02351	0.5
121.02875	0.5
123.04400	0.4
133.06465	0.4
135.04474	0.6
137.02431	0.5
139.00186	0.4
147.08073	0.4
149.09616	0.9
151.03952	0.7
151.07564	0.3
155.10709	0.5
157.06488	1.1
159.04491	0.5
159.08061	0.6
161.09758	0.4
165.05537	0.4
168.00624	0.5
171.08121	0.6
172.05219	1.0
173.04503	0.7
173.09622	1.1
175.07626	0.7
177.04022	0.3
179.07042	0.3
185.05952	0.7
191.07089	0.4
204.04189	0.4
211.07532	1.5
212.08405	1.7
225.09163	0.4
272.06827	0.8
273.07651	0.6
313.10580	0.3
331.11880	0.4
363.15967	4.3
364.16254	0.7
375.10681	0.9
376.11102	0.3
391.15704	0.6
407.15094	0.4
435.14462	17.4
435.24088	1.5
436.14706	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	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12086	0.6
54.42404	0.5
59.01250	17.2
65.08016	0.5
69.28751	0.4
69.64964	1.9
69.65379	1.1
70.51045	0.4
71.01251	1.2
73.02831	2.5
79.25446	0.5
89.02321	0.8
101.02385	0.5
117.01847	0.6
135.02876	0.6
135.08034	0.5
137.09610	6.4
155.10684	100.0
156.11023	5.4
199.09689	54.7
200.10048	2.5
237.98659	0.6
314.54642	0.5
317.12653	2.1
317.16013	51.2
318.16336	5.0
340.55460	0.7
435.18710	28.8
436.19189	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	HC Toxin
Peak:m/z	Relative Intensity
55.01759	0.4
57.03318	0.4
59.01253	100.0
60.01591	1.9
61.98708	0.7
69.03333	3.0
71.01254	4.0
71.04935	0.4
71.52892	0.6
72.99198	0.7
73.02827	3.0
83.01287	0.8
83.04918	0.6
85.02814	2.4
87.00752	0.4
89.02338	1.2
93.03368	0.9
97.02854	1.2
99.00784	0.9
101.02318	3.0
102.02697	0.3
107.04919	0.3
109.02844	0.8
111.04383	0.4
113.02310	1.4
115.03910	0.7
119.03416	0.4
120.37591	0.3
123.04456	0.6
123.81818	0.3
125.02335	0.6
125.09614	0.3
135.04475	0.8
137.02380	0.5
137.09665	0.4
147.04420	0.3
151.03911	1.4
155.10739	1.0
163.03868	0.3
165.01830	0.3
165.05473	0.3
169.08618	0.9
173.04561	1.0
176.01091	0.3
179.03461	0.4
180.04311	0.3
185.00903	0.8
189.01930	1.0
191.03503	0.5
191.05531	0.7
195.06596	0.4
199.09637	0.3
199.37813	0.3
203.01988	0.7
213.05879	0.3
213.07573	1.5
213.14774	0.4
217.01523	0.8
219.02957	0.4
221.76727	0.3
225.07733	0.4
231.08853	0.5
231.16035	0.7
272.60852	0.3
273.12686	0.4
280.13000	0.5
299.02094	0.3
303.21829	0.3
325.04855	0.3
341.06726	2.0
357.18994	0.3
375.20157	2.3
376.20660	0.4
393.21255	2.6
394.21860	0.3
435.10507	0.4
435.22473	10.7
435.29712	1.6
436.22842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36531	0.8
57.28331	0.8
59.01252	100.0
60.01588	1.0
70.26085	3.1
120.94734	0.8
121.02834	5.0
130.92059	0.9
138.31133	0.8
151.03947	1.7
191.05576	1.3
235.65364	0.9
245.06476	0.8
252.58507	0.9
275.09222	1.6
369.69562	1.0
404.53311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.16722	0.2
55.01763	0.3
55.42221	0.2
57.03308	0.3
58.00478	0.3
58.42366	0.2
59.01252	100.0
60.01580	1.2
61.98668	0.3
64.17720	0.2
66.96267	0.2
69.65079	1.3
71.01252	4.3
72.99191	0.2
73.02824	1.5
79.59694	0.2
83.01243	0.5
85.02826	1.9
87.00699	0.2
89.02315	1.5
93.03374	0.3
95.01261	0.2
99.00769	0.3
101.02325	3.0
106.12380	0.3
113.02348	2.1
113.03091	0.3
115.40130	0.2
119.03394	0.6
134.04604	0.2
143.03432	0.2
161.04471	1.2
175.78302	0.2
179.05608	0.3
182.50008	0.2
279.96378	0.2
303.19189	0.2
399.24237	0.5
441.21375	0.9
464.92038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62135	2.3
57.98116	2.0
59.01247	17.9
69.03308	6.4
70.16139	2.0
71.01248	5.6
73.02818	4.1
78.95773	13.4
85.02827	3.2
94.08211	1.9
97.02814	3.0
106.06509	100.0
107.06802	3.8
112.03831	2.1
118.06544	3.7
127.86509	2.1
150.05519	84.1
151.05783	4.0
152.99484	27.1
164.07074	16.5
173.04286	2.9
185.00896	2.0
191.05440	2.2
192.06627	14.2
194.04500	17.7
221.30305	2.1
236.05612	2.4
307.56583	2.2
312.98083	1.9
355.15201	10.1
398.10876	5.8
443.18768	3.2
455.26526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93168	0.2
57.29879	0.2
59.01249	2.2
69.03323	0.6
69.06483	0.2
69.74315	0.2
71.01247	0.6
71.53596	0.4
73.02787	0.4
85.02810	0.5
87.00748	0.3
89.02271	0.4
97.02847	0.3
100.26812	0.2
101.02335	0.5
109.54440	0.2
122.41737	0.3
125.02326	0.3
151.07527	0.4
187.07504	0.4
195.04459	3.9
195.06544	1.0
196.05225	2.4
202.06331	0.4
215.55017	0.3
216.79120	0.2
222.06729	0.4
223.03966	100.0
224.04510	13.4
225.05278	0.9
228.04237	0.4
231.10333	0.5
236.04549	0.3
238.06332	69.8
239.07034	28.0
240.07465	1.9
243.10255	0.8
247.89432	0.3
248.04709	0.8
249.05429	0.5
251.07109	1.1
263.07138	1.2
272.82098	0.3
281.08203	5.4
282.08603	0.7
293.08200	3.6
294.08643	0.4
307.06149	0.4
428.06540	0.3
443.13467	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
57.03311	3.3
59.01251	100.0
71.01254	37.4
73.02820	41.1
83.01241	12.6
85.02818	8.4
87.00729	3.2
89.02324	14.4
93.03323	2.5
95.01263	2.2
99.00774	2.4
101.02323	37.4
113.02362	12.2
113.41566	1.8
119.03384	6.0
123.04410	2.1
125.02328	2.8
131.03395	2.7
135.04401	8.4
137.02357	3.5
139.03860	2.6
143.03423	3.9
152.04713	12.5
155.03473	2.1
161.04459	7.9
164.04185	1.9
167.96071	2.0
173.04440	7.9
175.11278	2.2
179.03444	4.1
191.05548	6.5
203.05376	1.8
203.10715	19.4
214.54948	2.0
221.11800	13.3
355.17560	6.4
365.15997	5.9
373.18655	8.1
383.17123	4.5
401.18201	4.6
425.18240	11.3
443.19156	72.9
444.19373	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14347	1.3
55.01757	1.6
57.03336	6.4
59.01253	100.0
59.12517	1.2
65.97948	1.2
69.03346	1.7
71.01257	35.3
72.99204	2.1
73.02818	31.6
81.03323	1.9
83.01257	8.5
83.04881	1.7
85.02815	11.9
87.00781	1.6
89.02323	7.4
93.03339	4.0
95.01273	2.0
95.04897	2.8
95.09904	1.3
97.02828	2.2
98.19764	3.2
99.00744	1.7
101.02323	28.4
109.06496	2.0
113.02350	13.2
118.07695	1.5
119.03401	3.1
121.06526	2.1
122.03586	3.1
123.04407	1.6
124.05195	7.5
125.02325	1.7
131.03369	1.7
133.06432	1.5
134.40375	1.3
135.04419	8.5
136.05130	1.3
137.05980	4.4
138.75055	1.5
139.03940	3.5
139.07556	53.3
140.07889	1.4
141.05489	1.7
143.03445	2.1
149.04459	1.4
149.09648	2.2
150.06792	2.0
151.07559	5.1
152.04709	2.7
161.04474	9.9
161.05774	1.9
163.07515	1.8
168.07846	28.7
173.04460	9.4
173.09462	2.0
176.08345	2.6
179.03404	3.6
179.10767	3.7
191.05534	8.9
191.10703	21.9
192.11052	1.8
193.40518	1.4
203.05551	1.7
203.10661	11.5
209.11749	7.2
221.11775	17.3
239.12889	15.2
240.13278	1.9
353.16293	1.7
373.18481	1.6
383.17090	5.4
401.17749	2.0
425.18124	1.8
443.19150	18.1
444.19199	2.0
450.52396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.31815	0.3
55.01754	1.5
57.03320	3.0
58.00476	1.1
59.01250	73.8
60.01588	0.9
69.03319	1.0
69.18346	2.7
69.18753	0.9
71.01254	31.6
72.99171	2.1
73.02818	18.4
75.00763	0.5
75.62638	0.3
77.71775	0.4
81.03312	0.4
83.01260	6.4
83.04903	0.4
85.02820	12.4
85.99957	0.5
86.03151	0.4
87.00766	1.7
89.02316	5.5
93.03359	1.3
95.01271	1.6
97.02836	0.7
98.20487	0.9
99.00752	3.1
101.02324	23.6
102.02660	0.7
109.06484	0.4
111.00761	0.4
113.02334	10.7
119.03391	1.5
121.02831	2.2
121.06496	2.4
123.08064	2.6
125.02344	1.0
131.03413	0.8
132.88321	0.4
135.04417	1.4
137.02339	2.6
143.03436	0.6
151.00323	0.4
159.02908	1.0
161.04469	3.8
161.09695	0.5
173.04485	1.4
174.01935	0.6
176.60783	0.4
177.01904	0.5
177.12767	4.7
178.13072	0.4
179.03410	1.0
185.32375	0.4
191.05611	0.8
193.12227	0.3
195.13806	4.6
203.10741	0.4
221.11789	6.7
239.12885	1.0
255.02917	0.6
271.02527	1.6
300.02716	2.6
301.03793	0.5
321.08850	0.5
357.19263	3.7
371.84738	0.5
383.17072	2.1
401.18164	6.5
402.18369	1.0
443.19199	100.0
444.19577	14.5
458.67126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88080	0.9
59.01252	100.0
61.98690	0.9
98.19740	1.8
99.24606	1.0
111.08033	1.4
124.36050	1.0
146.35228	0.9
197.11760	3.8
229.51688	1.2
291.19693	2.8
309.20663	7.6
322.57440	0.9
438.41632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01571	1.2
61.98683	0.9
78.33935	1.0
91.03875	4.7
111.08041	2.7
121.02834	1.0
163.24750	0.9
197.11804	7.3
291.19635	4.6
309.20651	10.9
373.01297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52410	2.3
59.00956	5.3
59.01253	100.0
65.00196	2.5
66.61661	2.8
69.03320	3.9
69.57773	2.2
69.91714	5.5
69.92120	9.3
71.01257	15.8
72.99166	2.9
73.02813	8.9
83.01266	4.9
84.38835	2.2
85.02861	4.1
87.00785	3.0
89.02322	6.3
93.03352	6.4
94.02847	2.3
97.02838	3.3
99.04404	4.8
101.02314	9.8
106.06554	2.5
107.01273	5.4
108.08080	83.2
109.02815	5.0
109.08387	2.6
113.02328	7.4
125.02298	3.9
130.08606	6.8
135.04431	7.3
137.02362	4.8
141.26996	2.1
151.00291	13.8
152.07086	68.6
153.07408	3.3
155.10657	10.4
161.02359	2.7
164.07024	2.8
166.08698	15.0
168.67291	2.4
173.04466	21.1
178.99722	6.2
179.03258	3.6
179.90994	2.4
191.05540	5.5
194.08206	11.5
196.06097	52.6
199.09816	3.2
227.03430	3.0
238.07166	6.4
243.02939	8.4
243.06677	3.9
245.04668	4.4
255.02953	21.7
271.02475	47.1
283.02478	2.9
283.15237	2.5
299.01929	7.8
300.02713	54.8
301.03510	66.9
340.10278	2.9
389.37253	2.8
400.12531	16.1
444.13098	9.3
444.19293	2.8
445.07785	37.7
445.20242	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.1
59.01251	100.0
60.01576	2.3
68.65941	2.0
69.03316	3.8
71.01253	37.0
72.99199	2.3
73.02818	17.7
83.01248	7.4
85.02817	16.8
87.00749	9.5
89.02311	12.6
93.03341	2.1
98.20570	8.8
99.00760	3.2
101.02321	25.5
111.00803	2.5
112.82039	2.0
113.02338	16.3
119.03389	4.3
120.08676	2.0
123.08031	3.0
125.02293	3.3
129.01862	3.2
137.02341	3.6
137.09636	21.0
138.09970	2.0
143.03401	2.9
148.74171	1.9
151.00285	4.5
155.10739	3.5
159.02803	2.6
161.04459	23.1
165.09106	2.2
173.04428	3.5
175.11176	3.3
178.99730	2.0
179.05429	2.4
179.10684	12.4
181.08606	4.7
187.11287	5.6
197.11807	13.4
204.11475	4.3
205.12271	45.7
206.12682	3.6
223.13315	2.6
241.10754	31.7
242.11066	3.4
247.13387	3.0
271.02515	3.6
300.02670	9.6
301.03571	6.3
367.17673	3.3
392.69345	2.0
403.19742	2.6
445.07407	6.0
445.20453	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.3
57.03322	2.7
58.00493	1.1
59.01252	100.0
59.79688	0.9
60.01586	2.1
61.01672	1.0
69.03323	1.6
69.76180	1.9
69.76597	3.6
70.34120	0.8
71.01257	30.6
72.99182	3.0
73.02818	15.7
73.03197	1.3
83.01258	4.9
85.02828	9.6
85.99922	0.9
87.00760	2.9
89.02322	21.6
91.57871	0.8
93.77991	0.8
94.49094	1.0
95.01267	3.7
97.02795	1.2
98.20576	1.1
99.00761	1.1
101.02322	21.6
113.02335	18.4
119.03403	9.1
121.06493	1.3
125.02333	1.6
130.63707	0.9
131.03432	1.6
136.05229	1.5
139.07530	1.3
139.65823	0.9
143.03380	3.7
149.04459	1.9
150.06735	4.3
151.07513	3.5
161.04456	6.9
161.05669	0.8
162.06801	4.2
163.07529	3.2
179.05518	6.3
180.07822	10.6
181.08643	13.3
193.12297	9.2
205.12309	1.8
223.13425	1.4
241.14407	3.4
246.52901	1.0
337.16663	2.2
355.17572	4.5
367.17545	1.7
385.18729	22.8
386.19003	2.9
397.32480	1.1
403.19766	19.7
404.19931	1.9
411.72836	1.0
445.20557	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21344	0.5
55.01797	0.6
56.47944	0.5
57.03326	4.9
57.17070	0.5
58.00452	1.3
59.01250	100.0
60.01582	1.5
69.03337	1.1
69.89977	2.4
71.01253	27.2
72.99194	1.7
73.02818	13.9
74.03188	0.6
75.00789	0.6
81.03340	0.7
83.01258	5.7
83.04951	0.8
85.02822	7.9
87.00764	1.8
89.02316	16.6
89.02839	1.0
90.02693	0.5
93.03338	0.6
95.01289	2.1
97.02822	1.0
97.06483	1.2
99.00764	1.4
99.04418	0.7
101.02319	19.9
102.02687	0.7
113.02327	13.4
113.03071	0.9
113.05990	1.3
114.02685	0.9
119.03390	7.0
121.06464	0.5
123.04418	1.3
125.02351	1.3
131.03403	2.1
135.08080	0.7
137.06001	0.9
137.09596	1.3
139.07565	2.1
143.03421	2.3
149.04477	1.3
151.30499	0.6
153.09138	2.1
155.03386	0.7
157.74611	0.5
161.04500	6.5
161.05905	0.9
161.09610	0.9
163.11182	1.1
165.09123	1.3
175.11116	0.6
179.05556	3.4
179.10710	1.0
187.11255	1.7
191.05510	0.8
193.12299	1.9
195.04842	1.8
205.12299	5.8
223.13330	12.1
224.13724	1.0
229.95256	0.6
230.70645	0.5
241.14426	4.5
310.53708	0.6
385.18668	15.9
386.18906	2.5
403.19757	12.9
404.20285	1.4
445.20529	6.1
446.21228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78623	0.4
59.01247	2.3
61.98685	0.4
62.30197	0.4
65.89303	0.3
70.99619	0.9
70.99968	0.6
78.25622	0.4
78.95779	19.8
87.22037	0.4
90.98620	0.5
104.97333	0.6
110.98421	13.3
126.37467	0.4
137.00015	0.5
152.90306	0.4
152.99409	0.7
157.78270	0.5
167.01070	16.1
168.01369	0.5
179.65297	0.4
185.02094	4.2
250.79117	0.5
259.20740	0.5
277.21732	100.0
278.22058	11.6
408.91367	0.4
445.23621	18.5
446.24448	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28043	0.3
59.01239	1.5
62.98324	0.3
67.45588	0.3
69.45287	2.5
71.00625	0.4
71.92685	0.4
76.96551	0.3
78.95776	7.1
104.46011	0.3
110.66209	0.3
110.98415	5.2
123.00257	0.3
123.42850	0.3
152.41730	0.3
152.99568	0.4
163.65337	0.4
167.01082	3.9
185.02115	3.8
275.20239	0.5
277.21716	100.0
278.22086	11.1
305.58466	0.4
334.80273	0.3
445.23630	7.1
446.23956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72943	0.3
57.60189	0.2
59.01238	0.9
67.91412	0.2
70.81413	0.6
71.01246	0.4
78.95778	6.0
83.04869	0.3
96.34544	0.2
100.33562	0.2
104.97316	0.2
110.45687	0.3
110.98414	4.7
152.99382	0.3
167.01053	2.8
185.02147	3.9
246.96104	0.3
248.35690	0.3
259.20639	0.5
275.20056	0.4
277.21713	100.0
278.22037	12.1
294.23972	0.3
445.23569	6.7
446.23737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35137	1.0
57.03332	1.1
59.01253	100.0
59.34790	0.9
60.63752	1.0
61.98700	2.3
70.58181	2.5
71.01264	1.7
77.10941	1.1
79.20102	1.1
88.17845	1.0
89.02272	1.1
91.03894	3.1
149.69234	1.0
178.66568	1.0
184.96640	1.1
198.43700	1.0
209.11775	2.6
211.13304	2.6
212.40588	1.0
295.35614	1.1
311.22263	12.6
312.22696	2.5
415.11966	1.6
445.29709	1.6
463.81033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84361	1.3
54.71648	0.9
59.01253	100.0
59.58807	1.0
59.59280	1.0
60.01608	1.1
61.98700	3.3
69.62334	7.5
83.58891	1.3
89.02346	2.6
89.99451	1.2
91.03881	1.5
92.01240	1.2
101.38267	1.2
113.02315	1.2
119.03407	1.4
121.02855	1.6
162.04826	1.2
191.25307	1.2
208.23845	1.2
209.11726	1.6
311.22314	14.0
312.22656	2.4
357.03568	1.1
380.75070	1.2
385.18637	1.4
400.05396	1.3
407.31845	1.3
415.08328	2.0
430.10571	3.0
445.29596	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86309	0.4
57.03316	0.9
59.01253	28.3
60.01579	0.6
61.98705	32.4
65.00187	0.4
69.18119	1.7
69.18539	3.0
71.01257	6.5
71.04861	0.4
72.99200	0.5
73.02823	3.2
79.46127	0.4
81.03330	0.7
83.01247	1.9
85.02835	1.9
87.00766	0.7
89.02315	3.1
93.03313	2.6
94.52341	0.4
95.01237	0.7
97.02795	0.4
98.20586	1.0
98.87777	0.4
99.00780	0.5
101.02328	3.2
101.05923	0.4
106.38237	0.4
107.01263	1.6
108.02051	0.9
109.02856	1.7
113.02340	3.1
118.98021	0.5
119.03387	1.4
121.02812	1.1
121.16077	0.5
122.03646	4.6
123.00748	0.7
125.02325	1.3
125.09626	0.8
133.02846	2.4
135.04393	1.1
137.02365	1.3
149.02319	0.9
151.00266	5.0
151.03894	1.2
153.01807	0.7
155.10690	2.2
159.04404	0.6
161.02422	0.6
161.04524	1.2
163.00243	0.9
165.01804	0.8
167.03355	0.5
171.04425	1.0
173.04480	0.8
175.03929	1.3
178.99788	1.3
183.04419	0.5
183.08180	0.6
185.05974	0.8
186.06734	1.0
187.03903	0.7
191.05550	1.8
197.11902	0.5
198.03177	0.4
199.03961	4.2
199.09625	1.5
200.04489	0.5
201.01855	0.8
201.09135	1.9
203.03459	0.9
203.07098	0.6
211.03984	0.5
211.13393	2.0
212.04604	0.5
213.05502	0.6
215.03453	3.5
217.04941	0.7
225.14943	0.8
226.02682	1.6
227.03496	16.4
227.07054	15.2
228.03880	1.7
228.07675	1.8
229.04948	0.8
229.08653	3.7
242.02153	7.3
243.02975	31.8
243.10237	79.3
244.03317	2.7
244.10577	6.2
255.02974	18.4
256.03616	4.4
257.04535	9.4
258.04776	0.7
267.10281	1.1
270.01691	8.3
271.02478	44.4
272.02875	3.8
273.07623	0.8
284.03256	15.2
285.04041	57.5
286.04599	8.8
299.01965	12.7
300.02707	17.2
301.03424	5.5
302.03381	1.1
303.04068	0.8
314.04315	38.8
315.04868	7.8
316.05463	0.7
357.06055	0.7
369.38043	0.6
387.14487	1.9
387.20288	1.6
405.20941	0.7
415.77939	0.4
447.09296	100.0
447.26132	1.7
448.09637	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17430	0.1
59.01259	1.0
63.02277	0.2
64.52689	0.1
65.00201	0.2
73.02826	0.5
83.01254	0.2
93.02779	0.2
93.03334	0.3
98.20547	0.5
101.02293	0.3
107.01249	0.5
113.02311	0.2
125.02383	0.4
125.09625	0.2
132.02071	0.2
135.00787	0.4
151.00316	1.5
153.01823	0.3
163.00325	0.4
164.01004	0.2
167.04893	0.2
171.04379	0.2
174.03143	0.3
175.03978	0.2
178.99754	0.6
182.03587	0.2
183.03011	0.2
183.04413	0.9
185.06024	0.4
187.03955	0.5
197.06041	0.2
199.03889	0.2
211.03888	1.3
212.04286	0.2
213.05455	0.4
217.04987	0.2
225.14970	0.2
227.03456	44.6
228.03833	2.9
229.05078	1.1
239.03462	0.5
241.05017	0.2
243.02853	0.2
255.02977	52.6
256.03540	6.8
257.04385	0.7
283.02536	0.2
284.03271	37.1
285.03986	22.7
286.04443	1.7
327.04980	1.2
328.05225	0.2
405.08237	0.2
447.09314	100.0
448.09656	13.6
464.46716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.01763	0.7
56.16186	0.6
57.03325	3.5
59.01253	19.2
61.98705	2.1
67.01763	0.6
67.96500	0.6
69.03326	60.9
69.56499	1.0
69.56908	3.0
70.03675	1.2
71.01252	5.1
73.02825	2.5
78.41017	0.5
79.01763	15.7
81.03320	3.4
82.99516	0.6
83.01266	1.1
85.02833	3.4
89.02325	1.7
91.19648	0.6
91.34650	0.6
93.03351	1.9
95.01259	7.8
97.02829	33.5
98.03194	1.3
98.19776	0.9
99.00775	0.8
99.04398	2.7
101.02305	3.8
107.01268	46.4
108.01508	0.7
108.02075	9.6
109.02853	8.8
113.02328	2.5
119.03462	0.7
121.02841	6.8
122.03677	0.8
123.00773	13.3
123.04397	1.2
124.01088	0.7
125.02337	78.5
126.02689	2.5
133.02853	2.4
134.03650	1.5
135.00787	2.7
135.04428	2.1
136.01549	5.4
137.02345	7.2
143.03320	0.7
143.08508	0.7
145.02870	1.0
149.02365	3.7
150.03181	0.6
151.00273	76.3
152.00975	4.1
153.01834	15.4
154.02216	0.9
161.02370	1.0
161.04462	1.1
163.03917	6.8
163.17070	0.6
165.01830	0.7
169.06499	1.2
173.04506	2.2
175.03978	0.7
176.01175	0.7
177.01855	10.3
185.09570	3.1
187.03923	0.6
191.03418	0.7
191.05577	2.2
195.04497	0.7
197.06015	7.3
198.06720	1.1
211.13322	7.1
213.05511	1.1
215.07063	1.2
219.02925	0.7
223.03926	1.1
225.14862	1.1
227.03406	3.3
229.08646	2.4
239.03520	0.8
242.05809	100.0
243.06546	60.9
244.06909	4.9
255.02982	3.4
255.06693	0.6
267.02951	2.3
268.03711	1.4
273.07703	1.3
279.05151	6.6
282.01813	1.8
283.02536	0.7
284.03204	3.0
285.04184	1.5
285.07678	4.3
295.02475	17.4
295.05814	1.0
296.03116	6.3
297.06113	9.6
298.06729	0.7
323.01901	1.5
339.07220	9.6
340.07452	1.5
355.77859	0.6
387.10706	1.6
387.19962	0.7
405.21445	1.0
447.07266	24.0
447.12955	9.9
447.22156	2.6
448.07529	4.0
448.13431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73223	0.2
59.01251	1.1
62.96270	1.3
72.30202	0.2
78.95777	39.2
96.96838	2.3
103.63149	0.2
121.66328	0.2
140.23720	0.2
149.00000	18.7
150.00337	0.4
151.01546	0.3
155.17357	0.2
158.92476	1.8
179.01071	2.4
205.15909	1.5
211.13353	1.5
240.96611	0.4
267.11658	0.4
347.08237	0.6
417.12567	1.0
431.10303	2.8
432.10632	0.5
447.13419	100.0
448.13770	14.3
464.10150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51030	1.4
59.01251	16.1
61.98716	13.0
71.01247	3.3
71.29330	2.2
73.02816	2.7
83.01266	1.7
87.04424	1.8
89.02285	1.5
95.12860	1.6
101.02301	2.6
107.01273	2.0
108.02016	1.8
109.02869	1.5
134.92406	1.4
136.79953	1.4
137.02324	2.3
137.09598	5.2
151.00232	7.7
155.10677	48.6
156.10973	3.2
161.04449	1.9
163.00278	3.4
170.05644	1.7
173.04375	1.6
178.99667	2.4
199.09700	42.3
200.10016	3.7
211.13278	3.0
227.03462	26.8
228.03848	2.2
229.04979	2.2
243.02977	10.1
254.02092	4.2
255.02960	53.4
256.03458	7.6
271.02466	55.7
272.02789	7.3
284.03278	26.1
285.04053	20.8
286.04373	2.4
300.02744	89.5
301.03442	26.8
302.03714	3.4
403.07831	2.3
447.09268	100.0
448.09567	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	447.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57846	3.0
59.01252	61.0
61.98679	3.7
69.17918	32.8
71.01253	16.1
73.02825	11.4
73.60526	3.2
75.00734	5.2
85.02838	7.2
89.02328	5.5
99.00823	3.7
101.02314	9.4
103.48054	2.9
113.02312	9.0
135.07999	3.0
137.09602	23.5
155.10678	100.0
155.33716	3.1
156.11005	4.8
156.61768	3.4
161.04314	4.9
173.04420	6.5
181.08757	4.2
191.05525	6.8
197.11687	7.7
199.09708	74.5
200.10020	6.0
227.03484	22.6
241.10826	3.7
243.10271	6.2
249.06096	5.3
255.02884	24.3
256.03592	4.6
284.03229	26.5
285.04031	17.4
313.16330	3.9
357.15350	8.2
375.16321	39.0
376.16901	5.4
416.34253	3.8
439.93823	3.2
447.09393	40.1
447.18341	6.7
448.09668	5.1
467.50937	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03331	0.5
58.00458	0.4
59.01250	14.0
69.03326	0.3
70.36880	0.8
70.37240	0.3
71.01254	15.1
72.99179	0.4
73.02821	7.3
81.03324	1.3
83.01249	2.0
84.57981	0.2
85.02836	3.0
87.00751	0.7
89.02319	5.0
93.03343	0.9
95.01264	0.8
97.02824	0.4
98.20484	0.3
99.00745	1.7
101.02322	8.4
108.02057	1.4
109.02834	0.9
113.02332	4.0
119.03398	1.1
121.02848	0.9
122.03626	12.1
123.00767	0.3
125.02326	1.9
131.03378	0.9
135.04474	0.4
136.01627	0.4
136.05241	0.5
137.02339	1.2
143.03421	0.7
143.04990	0.4
149.04448	1.5
151.03966	0.9
153.01846	0.5
153.12752	0.4
158.07291	0.3
159.02876	0.6
161.02344	0.3
161.04469	4.5
163.97668	0.3
173.04390	0.3
183.08075	0.8
184.08830	0.8
185.06061	0.7
186.06833	1.6
191.05547	0.7
198.47096	0.2
199.07602	0.3
199.11325	0.3
199.13347	0.8
201.09143	4.4
202.09467	0.4
211.13315	1.7
225.14986	0.3
227.03577	0.6
227.07097	13.8
228.07588	2.0
243.10240	100.0
244.10593	8.6
244.13123	0.4
255.02913	0.8
315.18134	2.6
387.19992	0.6
389.97543	0.3
401.98254	0.3
405.21243	1.3
417.09564	0.3
432.11865	0.3
447.09116	0.7
447.22263	14.5
448.22653	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62949	0.2
55.01768	0.4
57.03334	0.6
58.00454	0.4
59.01253	20.6
60.01578	0.3
61.98700	0.4
68.01498	0.3
69.03325	0.4
69.18823	1.8
69.19234	0.7
71.01255	13.8
72.99190	0.7
73.02828	3.3
83.01267	1.1
85.02819	2.8
87.00761	0.6
89.02319	16.2
93.03353	1.0
95.01278	0.8
97.02859	0.5
99.00760	2.7
101.02326	8.7
106.04163	0.2
108.02060	0.8
109.02849	0.7
113.02335	5.0
113.03083	0.5
119.03382	4.7
120.02180	0.2
121.02840	1.9
122.03616	1.6
125.02351	1.0
131.03389	2.3
137.02341	0.3
143.03398	1.0
149.02399	0.3
149.04466	5.5
151.03946	1.7
152.79195	0.3
153.01808	0.4
158.07291	0.6
161.04489	2.1
179.05536	1.7
183.08115	0.7
184.08818	0.4
185.05986	0.4
186.34694	0.2
191.05611	1.2
201.09148	1.0
211.13333	6.7
212.13707	0.3
227.07089	22.8
228.07626	3.0
233.06636	0.6
243.10239	100.0
244.10588	8.6
251.07600	0.4
253.09293	0.9
255.02925	0.5
270.05377	0.4
284.03220	0.6
315.12656	0.3
315.18176	1.7
387.14633	1.2
405.15594	0.5
447.09171	0.9
447.17023	0.5
447.22287	11.0
448.22528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03302	0.3
59.01250	13.0
70.53137	0.2
71.01250	5.2
72.50886	0.2
73.02824	1.8
81.03374	0.2
82.67122	0.2
83.01260	0.6
85.02827	2.2
89.02317	1.7
89.52573	0.2
93.03350	1.3
95.01269	0.8
98.20597	0.4
99.00744	0.6
101.02324	3.1
106.04128	0.4
108.02059	1.0
109.02833	1.1
113.02323	1.8
119.03362	0.3
119.04896	0.3
120.01994	0.2
121.02834	2.5
122.03686	1.9
123.00755	0.3
125.02320	0.8
136.05176	0.5
137.02292	0.4
143.03448	0.3
149.02354	0.5
149.04382	0.3
151.03882	1.6
153.01816	0.4
158.07265	0.7
159.02826	0.3
161.04478	3.1
183.08020	0.8
184.08702	0.2
185.05971	0.2
186.06805	0.3
193.03642	0.2
199.13408	0.3
201.09126	0.9
211.07597	0.3
211.13333	3.3
225.14854	0.3
227.07083	27.2
228.07605	3.7
243.10236	100.0
244.10568	9.7
244.13097	0.4
253.09369	0.3
255.02975	0.6
273.68176	0.2
284.03412	0.3
285.11526	0.3
315.18146	1.7
345.19098	1.2
347.55048	0.2
347.94754	0.2
387.14490	1.3
387.19550	0.4
393.15756	0.2
405.15744	0.6
405.21207	0.5
447.08850	0.3
447.16736	0.4
447.22217	3.7
448.22504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
57.03326	1.8
58.00471	0.5
59.01252	100.0
59.66778	0.3
60.01590	1.5
61.98709	1.5
69.62041	1.1
69.62472	1.2
71.01255	13.8
72.99178	0.7
73.02815	4.5
73.03134	0.4
73.58434	0.3
83.01266	1.8
85.02834	2.9
87.00768	0.9
89.02315	13.9
90.30375	0.4
93.03364	0.5
95.01257	0.6
96.78990	0.4
101.02323	8.2
113.02335	7.1
119.03406	5.5
120.03748	0.5
125.02396	0.5
131.03429	1.0
137.09627	0.6
143.03403	1.8
145.24194	0.3
149.04559	1.0
149.09628	3.3
150.45433	0.3
151.53801	0.3
161.04478	2.9
167.10681	7.5
168.11166	0.4
173.04451	0.5
179.05525	9.5
179.06969	0.6
180.05920	0.7
191.05609	0.5
220.03970	0.4
225.14902	0.9
226.02756	1.6
241.05060	1.2
269.04727	0.5
387.20187	2.6
388.20648	0.4
405.21484	1.4
447.08289	0.4
447.13855	0.4
447.22302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
57.72069	0.3
59.01251	100.0
60.01584	1.3
61.98699	0.7
66.99556	0.3
67.61176	0.3
69.03361	0.4
69.24265	3.4
71.01254	3.5
71.56699	0.3
73.02828	2.1
73.80753	0.4
75.00751	0.4
83.01287	1.0
83.04903	0.5
85.02843	1.4
87.00749	0.7
87.04392	0.3
89.02338	1.9
96.14922	0.3
97.02865	0.4
98.20542	0.7
101.02327	3.9
113.02352	1.6
119.03409	0.7
125.02415	0.4
135.04416	0.5
149.04456	0.5
155.10725	0.4
161.04512	1.0
167.10748	0.6
183.13864	1.7
186.99829	0.3
193.12402	0.4
206.51376	0.3
211.13345	20.0
212.13741	1.3
227.03448	1.8
241.13483	0.5
244.09715	2.1
253.09286	3.1
255.02982	2.0
256.03525	0.5
284.03253	1.9
285.04156	1.2
285.12454	0.4
295.02628	0.7
387.20392	0.8
447.09329	3.6
447.22034	2.7
448.09344	0.6
448.23404	0.3
469.32681	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65744	0.7
55.02406	0.7
57.03343	1.4
58.00468	1.0
58.72982	0.6
59.01255	100.0
59.65949	0.8
59.90025	0.6
60.01582	1.0
60.98388	0.6
61.98703	1.3
69.03357	0.8
71.01260	15.8
71.15431	0.8
72.81813	0.8
72.99181	1.4
73.02820	4.4
76.12492	0.8
83.00800	0.7
83.01273	2.1
85.02816	6.0
87.00756	1.7
89.02322	10.0
93.03348	0.9
95.01309	0.9
99.00800	1.0
101.02335	10.2
107.01262	0.7
109.02888	0.8
111.00771	0.9
113.02351	7.6
119.03398	4.7
125.02360	1.1
126.12188	0.6
131.03484	1.2
143.03401	1.2
149.04538	0.8
151.00294	1.9
155.10703	1.6
161.04475	9.7
163.00444	1.0
173.04454	1.6
175.02492	0.7
179.05492	3.6
193.50142	0.7
199.33904	0.7
211.13287	0.9
213.05544	1.0
225.14885	3.9
227.03455	8.9
228.03802	0.9
229.05139	1.5
243.12349	8.2
255.02969	19.0
255.05455	1.3
256.03531	2.7
257.04730	1.3
284.03287	22.3
285.04025	23.8
285.13422	1.5
286.04495	2.5
301.03345	1.3
387.20230	12.8
388.20639	1.8
447.09265	21.5
447.22629	2.7
448.09805	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92037	0.4
55.01756	0.6
55.08959	0.4
57.03327	0.6
57.28694	0.4
58.00456	0.5
58.09417	0.4
59.01252	100.0
60.01585	1.7
61.01648	0.5
61.98698	2.7
69.83372	0.7
69.83760	1.2
71.01255	15.0
72.99195	0.7
73.02820	3.8
80.73557	0.4
83.01277	1.6
85.02826	4.5
87.00748	0.7
89.02319	12.1
95.01286	1.1
97.02881	0.4
99.00768	1.1
101.02327	8.0
113.02335	6.0
116.92767	0.6
119.03412	4.8
123.08007	0.5
125.02334	1.0
135.04387	0.5
143.03410	1.0
149.04459	1.0
159.02917	1.0
161.04456	7.1
179.05536	3.3
207.13867	0.8
223.15810	0.4
225.14975	1.2
226.04602	0.4
227.03638	0.4
245.28760	0.4
255.03069	0.7
284.03363	0.6
357.14600	0.4
369.19159	1.2
387.15356	1.0
387.20245	14.3
387.24994	0.8
388.20886	1.5
447.09238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.71651	0.6
55.01757	5.6
55.15516	0.6
57.03323	5.2
58.00460	2.9
59.01250	76.9
60.01599	0.9
61.98703	2.4
69.03315	2.6
69.34206	4.5
69.34619	1.1
71.01253	100.0
72.01589	1.3
72.99175	3.5
73.02820	40.1
75.00748	2.8
81.03347	1.1
83.01260	12.5
85.02821	38.8
85.06438	0.6
86.03152	0.9
87.00764	4.1
89.02315	34.5
92.80754	0.6
95.01276	5.5
97.02848	4.2
99.00757	22.4
99.04400	0.9
99.75979	0.6
101.02320	58.5
102.02642	1.7
113.02326	34.0
114.02686	1.0
115.03883	2.7
119.03383	6.1
125.02335	6.5
129.01848	0.8
131.03381	6.2
143.03409	5.3
149.04475	7.4
155.10617	0.7
155.14308	1.5
159.02898	7.6
161.04462	49.1
162.04796	1.0
173.04283	0.6
179.05548	1.4
180.75963	0.6
181.15961	0.8
191.05501	2.5
199.13350	4.6
205.03481	1.7
211.13358	5.8
212.13597	0.6
213.46429	0.6
225.14864	2.0
227.03426	1.7
233.06610	3.0
241.09834	0.8
242.59540	0.7
243.10136	2.9
253.09204	1.0
255.02998	2.3
273.30743	0.7
284.03348	1.4
293.08841	1.1
315.18103	36.1
316.18427	4.0
327.18298	1.0
345.19101	1.2
387.20117	2.0
405.21194	4.5
447.22314	100.0
448.22668	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03326	1.0
58.00213	0.3
58.00455	1.2
59.01253	40.9
60.01607	0.3
61.98704	0.9
64.00947	0.2
69.03340	0.9
69.64191	0.4
69.64507	1.6
71.01254	22.8
71.87841	0.2
72.01563	0.3
72.99178	1.5
73.02818	7.3
74.03171	0.2
75.00753	0.7
81.03324	0.7
82.36380	0.3
83.01250	1.8
83.93400	0.3
85.02824	5.8
87.00756	1.4
87.04385	0.3
89.02319	26.2
90.02671	0.5
93.03329	1.9
95.01270	1.8
97.02849	0.8
99.00759	5.7
99.01358	0.4
101.02323	14.6
106.04150	0.2
108.02064	0.8
109.02831	1.2
111.00793	0.3
113.02328	7.5
114.02646	0.3
115.03893	0.8
117.15972	0.3
119.03391	7.1
120.03757	0.3
121.02811	2.7
122.03642	2.2
125.02349	2.0
131.03397	3.4
137.02348	0.4
143.03392	1.5
149.02393	0.6
149.04463	8.0
151.03917	2.3
153.01791	0.4
155.10667	0.4
158.07307	0.4
159.02817	0.4
161.03246	0.4
161.04483	4.7
171.04460	0.3
173.04482	0.7
179.05566	2.6
183.08044	1.2
183.13832	2.9
185.06003	0.5
191.05533	1.9
193.12262	0.7
201.09161	1.3
211.13338	35.8
212.13716	2.9
212.15668	0.4
221.06572	0.4
226.06152	0.3
227.07089	31.6
228.07610	4.7
233.06650	0.7
243.10236	100.0
244.10576	9.4
244.45435	0.3
251.07626	0.6
253.09276	4.7
255.03120	0.4
271.02478	0.3
284.03128	0.4
285.04187	0.3
293.08759	0.3
314.04184	0.3
315.04752	0.3
315.18109	3.8
316.18515	0.3
387.14423	1.0
405.15649	0.3
409.15308	0.3
447.09204	0.9
447.22284	17.1
448.22757	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01759	2.1
57.03324	2.5
58.00467	1.6
59.01249	73.1
60.01590	0.9
61.98690	2.3
69.03325	2.3
69.44289	2.8
69.44718	1.7
71.01252	62.7
72.01585	1.0
72.99190	2.1
73.02817	29.9
74.03116	0.5
75.00755	1.5
79.12108	0.5
79.60358	0.5
81.03343	2.0
83.01259	9.7
83.01723	1.0
85.02827	13.0
86.03133	0.6
87.00757	2.7
87.91901	0.5
89.02313	23.9
89.16190	0.5
93.03346	1.7
95.01254	2.8
97.02836	1.3
98.04917	0.5
99.00755	8.1
101.02322	35.7
102.02664	0.8
108.02079	2.2
109.02827	1.6
113.02327	14.7
115.03870	0.6
119.03381	5.2
121.02851	1.4
122.03621	11.5
125.02347	4.6
126.02692	0.6
127.03973	0.6
127.11169	0.7
131.03395	4.0
131.34070	0.6
135.04362	0.7
136.01588	0.6
137.02364	1.6
142.98018	0.6
143.03409	1.9
149.04459	6.8
151.03882	1.0
152.01059	0.7
153.01746	0.5
153.12762	1.9
157.66916	0.5
158.07217	0.6
159.02884	1.7
161.04457	14.5
171.09187	1.8
173.04482	1.4
179.05611	0.7
181.12291	0.9
183.08133	0.8
183.13820	0.8
184.08833	0.8
184.61984	0.5
185.06079	0.7
186.06819	0.9
191.05513	3.1
199.13350	3.0
201.09120	3.2
211.13353	9.2
225.14844	1.7
227.03464	2.1
227.07056	14.3
228.07698	2.1
233.06699	1.0
243.10229	100.0
244.10553	9.3
252.15817	0.6
253.09303	1.6
255.03014	2.7
284.03320	1.9
285.03900	0.9
285.12436	1.9
289.07126	0.8
293.08847	0.8
307.11890	0.7
315.18149	9.4
316.18234	0.8
345.19193	0.9
387.20090	3.5
405.21149	5.7
447.09613	3.2
447.22308	56.9
448.22696	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03323	1.5
58.00462	1.2
59.01252	74.0
60.01579	1.0
60.65899	0.6
61.07432	0.7
61.98714	0.8
63.09300	0.6
65.24809	0.5
69.03320	0.7
71.01256	30.4
71.52702	0.7
72.99174	1.9
73.02819	17.2
83.01262	6.4
85.02822	11.0
85.06480	4.1
87.00755	4.9
89.02316	9.7
95.01263	1.3
97.06438	0.7
99.00764	5.0
101.02324	21.1
102.02681	0.7
111.65302	0.6
113.02336	11.8
113.09573	1.0
119.03407	3.5
125.02341	1.1
131.03409	1.0
143.03378	1.4
153.09058	0.7
155.14334	12.6
155.15543	1.3
156.14742	1.0
161.04492	4.3
167.54979	0.6
181.15950	4.4
199.13339	22.7
200.13652	1.4
211.13324	1.3
225.14931	7.5
227.03383	2.1
241.04965	0.9
243.19524	1.2
253.14496	1.2
255.02911	2.5
256.03668	0.7
269.18359	0.8
284.03333	2.2
285.03998	3.9
303.99951	0.7
336.76053	0.6
369.19070	0.9
382.10431	0.8
387.20255	15.3
388.20657	2.0
405.21237	25.9
406.21625	2.9
447.07690	8.9
447.22311	100.0
448.07950	1.3
448.22577	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36261	0.3
57.03316	0.5
57.42780	0.3
58.36362	0.3
59.01249	100.0
60.01584	1.0
61.98709	0.7
71.01247	6.1
73.02816	2.2
83.01280	0.7
85.02824	1.6
87.00748	0.3
89.02311	3.4
95.01247	0.5
99.00774	0.4
101.02320	4.5
101.02950	0.5
113.02327	2.1
119.03398	1.5
123.08057	1.5
124.95448	0.3
125.02306	0.5
131.03360	0.5
137.09627	0.4
143.03427	0.7
149.04482	0.5
159.02933	0.5
161.04478	3.9
163.03893	0.5
163.11214	1.1
165.49820	0.3
167.10713	0.5
170.37410	0.3
179.05534	1.9
183.06708	0.3
189.12839	1.5
207.13857	3.7
211.13263	0.4
225.14915	1.7
243.15923	0.5
317.85120	0.3
357.15070	0.4
357.19293	1.2
387.20242	3.0
388.20660	0.5
405.21115	0.5
447.22546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.6
59.01250	100.0
60.01584	1.3
61.98714	0.3
68.26582	0.3
71.01254	7.1
71.01620	0.5
71.53137	0.3
72.99185	0.7
73.02830	1.8
83.01286	0.9
85.02818	2.3
87.00762	0.8
89.02312	5.9
89.02820	0.4
93.03342	0.6
95.01276	0.4
99.00748	0.4
101.02330	4.4
101.05937	0.3
111.00781	0.4
113.02327	3.2
119.03402	2.4
125.02375	0.3
131.03392	0.4
137.02374	0.6
137.09622	0.6
143.03465	0.9
153.09102	0.5
155.10687	3.0
161.04466	3.0
165.01843	0.8
173.04515	0.9
179.05602	1.1
191.05585	1.1
199.09697	2.5
211.13310	0.6
225.15073	0.4
227.03448	1.9
229.08733	1.0
241.10951	0.4
243.12421	0.8
255.03000	3.1
256.03552	0.5
273.07733	0.4
284.03232	2.4
285.03992	1.8
315.18219	0.4
331.14102	0.9
387.20221	8.6
388.20828	1.0
403.08081	0.6
403.14764	0.3
431.19241	1.0
447.09091	2.6
447.15909	0.3
447.22421	1.6
447.27502	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05670	0.3
59.01249	0.6
62.84601	0.3
67.83722	0.3
69.88184	1.6
77.20367	0.3
78.95775	4.8
104.97356	0.3
110.98428	3.6
115.75587	0.3
152.99646	0.3
167.01028	2.0
185.02100	3.5
192.25743	0.3
212.49977	0.3
261.22168	0.5
262.21826	0.3
271.91266	0.3
271.94385	0.3
279.23288	100.0
280.23636	12.2
280.26788	0.5
390.80658	0.3
447.25134	5.5
448.25458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25778	0.3
57.03323	10.3
57.36966	0.4
59.01255	8.4
60.01588	0.4
61.98705	9.0
63.02266	0.9
65.00184	3.0
67.01756	0.5
69.03327	0.5
71.01248	3.1
71.38592	0.6
72.99182	0.3
73.02811	0.5
81.03344	1.9
83.00762	0.5
83.01252	6.9
85.02833	1.0
87.00748	0.4
89.02307	1.5
93.03346	2.5
93.33154	0.4
95.01279	0.6
97.02852	2.2
101.02325	1.5
105.03309	0.5
106.15781	0.4
107.01262	5.0
107.04911	1.5
109.02847	2.5
111.00751	0.6
113.02311	1.5
117.03336	1.8
119.03410	0.9
119.04961	0.5
121.02849	2.8
123.04396	2.0
124.01561	1.2
125.02338	100.0
126.02686	3.7
131.04900	0.8
133.02850	2.4
133.03799	0.5
135.00780	0.5
135.04416	1.2
137.02325	1.5
139.03915	2.2
145.02893	0.4
149.01239	0.6
149.02364	9.4
150.02824	0.7
151.00279	22.4
151.03923	0.5
152.01083	4.2
153.01848	8.5
157.06502	1.1
158.03677	0.8
159.04398	1.0
161.02361	0.7
161.04456	0.6
163.00290	1.3
165.01840	3.4
167.03418	1.2
169.01334	0.9
169.02684	0.4
169.06508	1.2
172.05219	1.9
173.04463	1.2
173.05992	4.8
175.03940	1.2
176.01048	1.3
177.01840	1.0
177.05469	2.3
178.98206	0.9
178.99789	16.1
179.03412	4.8
180.05728	0.5
181.01372	0.6
181.06534	1.2
183.04457	0.7
184.59999	0.4
187.02213	0.4
187.07561	1.0
189.01836	0.7
191.03516	0.7
191.05527	1.7
193.01385	0.6
196.05342	0.5
197.06085	2.5
199.03917	1.1
199.07611	1.1
200.04567	1.1
201.05525	4.3
203.03487	0.6
213.05493	1.4
215.07068	5.3
217.01361	0.5
217.05086	0.4
219.06541	0.5
224.04787	0.7
225.05508	4.2
226.05896	0.6
241.05135	2.4
243.06612	5.4
244.07018	0.6
259.06107	78.1
260.06439	6.1
269.04550	71.1
270.04932	5.9
275.09225	1.7
283.06152	1.1
284.03140	0.6
287.05618	55.2
288.05978	5.2
311.05612	2.2
315.07138	0.8
329.06906	0.4
341.05179	0.8
342.05896	1.6
383.55737	0.4
388.20801	0.5
389.21518	0.8
405.23486	0.4
421.11404	1.2
431.09921	1.0
449.10883	60.0
450.11224	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	449.1088
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.81952	0.6
57.03326	1.3
59.01255	13.3
60.01587	0.8
61.98706	5.8
63.02286	1.1
65.00199	10.6
67.01776	1.9
69.34088	5.2
71.01231	3.0
72.99214	0.7
73.02834	1.6
73.14920	0.6
75.00724	0.5
75.37869	0.6
81.03355	0.6
83.01263	6.1
83.04921	0.6
84.45300	0.5
85.02807	3.2
87.00782	1.5
89.02316	1.7
93.03345	10.9
98.20497	1.0
101.02331	2.0
105.23033	0.5
107.01278	19.5
108.02122	1.0
109.02836	4.4
111.04396	2.6
113.02316	1.3
119.05038	0.6
121.86535	0.6
125.02337	5.3
131.01286	1.8
133.02866	0.6
134.03639	1.9
135.04424	87.4
136.04750	3.9
137.02344	3.5
137.09631	0.9
151.00285	100.0
152.00601	4.3
155.03404	1.7
155.10713	8.8
156.11046	0.9
158.03676	0.7
159.04424	1.0
161.02383	1.4
161.04456	0.8
165.01834	1.5
167.03406	1.3
168.00528	0.6
169.01331	2.7
173.04489	26.8
173.05881	1.6
174.04854	1.7
174.06679	0.6
175.00322	7.6
176.85980	0.5
176.98270	0.5
176.99774	0.5
177.01849	1.2
187.03995	1.3
187.07561	3.7
191.05565	9.7
193.01367	1.9
195.03006	0.6
195.99863	0.7
199.09726	4.3
201.05531	0.9
202.06303	1.4
213.09169	2.5
215.07062	0.9
231.06570	0.6
231.10233	4.4
257.08237	1.5
266.11426	0.6
269.04465	1.6
275.09222	7.3
281.06592	0.7
286.01273	1.1
287.05615	92.4
288.05966	10.4
311.05447	0.8
313.05905	1.1
317.12311	1.3
329.06693	0.8
347.17001	1.0
389.21942	0.9
449.06842	1.0
449.16006	1.8
472.87442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	27.1
60.19581	1.0
60.99155	1.1
61.36351	1.1
67.01765	6.5
68.87902	1.1
69.03324	2.7
70.99960	1.2
71.01229	11.9
72.99165	1.2
73.02805	3.7
81.03331	2.2
83.01255	1.8
83.04903	3.2
85.02821	12.8
87.00746	4.5
89.02312	3.4
93.03332	37.6
95.01298	1.6
99.04398	2.4
101.02315	4.6
109.02807	3.1
111.00739	1.8
111.04413	11.2
113.02316	3.1
123.04388	2.5
127.03876	4.2
127.04772	1.1
133.02834	2.9
134.03619	4.4
135.04402	4.2
137.02345	7.2
137.09613	3.0
142.85881	1.4
146.03625	2.6
148.05153	3.8
148.43236	1.0
151.00259	1.8
155.03401	8.9
155.10684	43.7
156.10982	2.8
158.03616	2.7
159.04416	4.5
161.04417	2.7
172.05209	9.5
173.04482	100.0
173.05907	5.2
174.04814	4.7
174.06689	2.8
175.03850	1.2
175.07535	1.7
177.01836	1.2
183.04387	1.8
187.07570	94.5
188.07932	7.1
191.05539	74.9
192.05794	2.5
199.09688	20.1
200.04723	2.0
200.09972	1.4
201.05513	7.5
202.06299	15.7
203.06686	1.8
203.10680	10.5
204.04228	3.1
204.11028	1.5
211.07527	1.5
213.09117	14.6
214.09456	2.4
215.07097	8.2
216.07709	2.3
227.03459	4.7
228.03882	2.2
229.04034	1.7
229.08600	5.9
231.06639	30.9
231.10208	53.5
232.06873	3.3
232.10564	5.0
245.08127	1.8
248.02782	1.2
255.03055	1.7
256.03372	2.5
257.03549	4.5
257.08157	20.7
258.08426	2.0
275.09253	86.0
276.09616	8.0
284.03113	1.6
285.03812	2.6
286.01242	1.4
286.04071	2.0
287.05246	2.3
317.12527	1.4
317.15964	16.7
389.21622	3.2
407.19226	1.1
449.09747	8.5
449.15182	7.5
449.19962	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
59.01252	12.8
60.01583	0.7
61.98702	4.3
67.01752	1.9
69.03320	2.3
69.43709	4.1
71.01261	5.0
72.99168	0.8
73.02816	1.5
75.00734	0.6
81.03323	0.7
83.01248	0.5
83.04887	2.0
85.02821	11.9
87.00748	9.3
89.02328	1.9
93.03335	13.1
95.01244	0.6
99.00762	0.7
101.02329	2.3
102.99120	0.5
106.78389	0.5
108.02053	0.6
109.02833	2.3
111.04401	5.2
113.02329	1.9
114.88280	0.6
125.02341	1.2
127.03902	2.2
135.04398	2.1
136.16147	0.6
137.02356	2.1
137.09637	0.9
143.08618	0.7
146.03629	1.4
149.06003	1.6
151.00261	2.0
151.07518	0.8
155.03392	5.1
155.10680	8.2
158.03642	2.2
159.04427	4.4
159.08067	0.7
161.02344	0.6
161.04477	1.1
161.05849	0.5
166.99802	0.6
171.02925	0.8
172.05215	6.1
173.04474	36.2
173.05992	8.6
174.03320	0.6
174.04814	1.7
174.06577	1.3
175.07567	2.1
183.04431	1.5
184.05215	0.9
185.06049	0.7
187.04012	5.3
187.07574	55.3
187.41048	0.5
188.04567	0.6
188.07912	3.6
191.05542	100.0
192.05885	5.0
197.05998	1.0
198.06746	0.7
199.04050	0.8
199.09715	2.4
200.04744	2.6
201.05516	9.2
201.09174	1.1
202.06299	23.2
203.06763	1.8
203.10707	3.2
204.04256	1.5
211.07607	1.9
213.09157	16.0
214.09474	1.1
215.07088	18.8
216.07747	3.4
227.03444	1.9
228.04227	0.7
229.08702	9.5
230.09149	1.2
231.06723	7.2
231.10222	37.2
232.03896	0.6
232.10646	2.8
247.09587	0.8
256.03464	0.6
257.08148	11.7
258.08420	0.7
275.09253	58.8
276.09567	6.4
280.88522	0.6
287.05630	1.2
312.05264	0.5
389.21738	0.6
405.21274	0.9
449.14749	9.3
450.15503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.9
58.64246	0.5
59.01248	3.5
61.36316	0.5
61.98689	0.7
67.01758	1.6
71.01251	1.8
73.02828	2.8
77.51129	0.5
85.02827	2.4
87.00754	1.5
89.02332	0.7
93.03335	8.5
107.92772	0.5
109.02818	1.0
111.04409	2.1
113.02357	0.6
119.09617	0.5
135.04364	0.7
135.08060	1.0
135.32472	0.5
137.02327	2.6
137.09615	6.7
138.09911	0.7
149.05963	0.9
155.03416	2.0
155.10681	100.0
156.11021	4.1
159.04381	1.0
172.05177	3.8
173.04462	24.8
174.04797	1.2
187.04001	0.8
187.07571	23.4
188.07986	1.3
191.03922	0.3
191.05534	10.5
191.07143	0.8
198.06683	0.6
199.09689	46.3
200.10037	3.3
201.05524	1.6
202.06285	2.3
204.04082	0.9
213.09131	4.4
215.07036	1.8
216.07855	0.5
217.49431	0.5
227.07082	1.5
229.08621	1.0
231.06607	14.5
231.10168	8.4
232.06863	1.3
232.10573	0.6
245.08191	2.1
257.08148	4.2
275.09268	20.2
276.09546	1.5
283.23886	0.6
317.12460	5.0
317.15991	41.6
318.16403	4.4
331.13995	1.0
355.49744	0.6
449.15445	3.1
449.21155	9.2
450.20532	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.21748	0.4
59.01257	4.1
62.96284	29.1
68.35983	0.4
71.01249	0.6
73.98470	0.4
78.95780	66.7
80.97346	36.7
120.53746	0.4
133.02496	0.5
149.00008	17.7
151.01524	0.5
152.99538	0.5
155.10794	0.4
173.04483	1.8
179.01057	1.5
181.02635	0.6
198.99416	0.5
200.41017	0.4
205.15941	8.9
206.16246	0.7
239.06998	0.5
242.98280	5.1
285.12634	1.8
355.16794	19.8
356.17078	2.9
385.17850	25.6
386.18350	2.5
419.14767	0.8
449.15012	100.0
450.15329	12.5
466.40143	0.5
466.54260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
57.03335	3.4
57.03772	0.5
59.01250	16.9
65.63531	0.6
67.01748	2.1
68.99680	1.9
69.03326	1.9
71.01254	19.0
72.99178	6.1
73.02814	6.7
75.00746	15.1
83.01261	1.6
83.04906	0.6
85.02823	17.5
85.40605	0.6
86.03156	0.6
87.00749	7.2
89.02322	2.7
89.46579	0.6
91.03914	0.6
93.03336	3.6
94.43282	0.5
95.01256	3.7
98.15121	0.6
99.00758	10.6
103.00283	1.2
109.02842	1.3
111.00735	1.5
111.04422	1.3
113.02326	12.2
115.00262	2.5
115.58627	0.6
117.01820	2.4
129.01834	1.4
135.08061	2.0
137.09633	10.3
155.10683	100.0
156.11000	5.5
157.01372	1.3
173.04504	4.6
173.05904	1.0
175.02406	2.2
181.08659	1.0
187.07530	3.5
191.05540	6.9
199.03644	0.7
199.09702	19.6
200.10037	1.5
202.06224	1.0
213.09045	1.1
231.05042	1.2
231.10222	2.4
249.06117	14.0
250.06480	1.0
257.08209	1.4
273.13446	11.3
275.09314	2.7
317.12671	1.4
317.16061	1.2
333.83264	0.7
387.16647	2.0
431.15909	3.0
449.16632	92.3
450.16946	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	449.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.1
61.98726	0.9
65.20915	0.6
69.51675	4.9
71.01252	2.1
73.02824	2.6
75.00760	0.8
78.27338	0.6
81.98826	0.6
85.02836	1.4
89.02311	1.1
93.03334	1.8
110.37606	0.7
110.86578	0.6
113.02339	2.0
135.08064	1.2
137.02313	1.2
137.09613	6.5
138.23984	0.6
155.10686	100.0
156.11020	4.5
172.05264	1.3
173.04430	5.6
187.07576	4.1
191.05542	2.5
197.78430	0.7
199.09695	49.3
200.10106	2.4
202.06332	0.9
205.18083	0.7
213.09296	0.9
227.07162	1.6
231.06636	2.1
231.10278	2.0
245.08192	1.8
275.09308	3.9
308.20953	0.7
317.12399	13.0
317.16095	19.0
318.12848	1.4
318.16330	1.5
331.13968	4.1
449.15869	13.9
450.16644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.2
60.99522	0.7
62.28624	0.7
62.33147	0.8
67.01739	0.9
69.03321	1.0
69.50787	3.7
69.51203	1.7
69.67294	0.7
71.01250	1.4
73.02812	3.1
85.02831	2.3
87.00729	1.3
87.22901	0.8
93.03326	5.9
101.32838	0.8
135.07944	1.2
137.02318	1.7
137.09625	6.2
148.00027	0.8
155.03491	0.8
155.10683	100.0
156.11009	5.7
172.05212	2.8
173.04477	16.4
173.05801	1.1
176.03062	0.7
187.07594	12.8
188.07860	1.7
191.05540	6.0
199.09680	42.4
200.10063	2.8
201.05568	1.1
203.10609	0.8
209.44838	0.8
213.09200	2.9
215.07053	0.8
216.07518	0.8
225.31012	0.7
231.06590	8.9
231.10144	6.7
245.08168	2.2
247.65326	0.7
254.07768	0.7
257.08151	2.4
275.09277	10.8
317.12616	1.6
317.16016	39.3
318.16391	2.4
405.41052	0.8
449.14798	1.4
449.20700	8.1
450.20862	1.1
455.45169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
56.47215	0.2
58.00448	0.3
59.00957	0.4
59.01246	4.6
61.98697	0.3
67.01743	0.3
69.70570	1.2
71.01246	3.1
73.02780	0.4
83.01252	0.5
85.02824	0.7
87.00761	0.6
89.02325	3.4
90.02529	0.2
93.03328	3.4
98.19829	0.4
99.00750	0.3
101.02319	3.7
111.04372	0.6
112.54583	0.2
113.02330	1.9
119.03395	1.0
133.02878	0.7
134.03645	1.3
135.04388	0.5
137.02353	0.7
143.03412	0.3
155.03418	0.6
161.04480	1.8
162.03145	0.5
173.04468	11.4
174.04820	0.8
177.01912	0.4
178.02634	0.6
179.05507	0.8
183.13828	10.6
184.14172	0.7
191.05559	0.9
195.12041	0.5
195.13835	9.7
196.14172	0.7
213.14900	100.0
214.15250	7.7
231.10239	0.5
253.09261	21.5
254.09587	1.0
275.09268	3.0
276.09576	0.4
419.94254	0.3
449.14267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36771	0.3
54.89214	0.3
64.38748	0.3
69.62309	1.4
78.95780	4.8
110.98411	3.5
167.01027	1.8
185.02127	3.1
281.24850	100.0
282.25201	11.6
346.74777	0.3
449.26706	5.5
449.32605	0.6
450.27112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06535	0.4
57.03332	0.5
59.01252	4.6
61.98700	5.2
63.98510	0.4
65.09599	0.4
67.01750	0.4
69.03336	0.7
70.85719	1.3
71.01257	1.6
72.18636	0.4
73.02811	0.4
85.02841	1.3
89.02328	0.9
89.03840	0.7
91.01756	0.4
93.03333	1.8
95.04893	1.0
101.02316	1.2
103.05421	0.5
107.04890	2.0
108.02036	1.3
109.02837	23.3
110.03209	1.1
113.02314	0.6
117.03323	1.2
119.04908	1.3
121.02847	1.2
122.03579	0.7
123.04408	16.7
124.04691	0.7
125.02326	1.2
133.02852	4.4
134.03494	0.6
135.04384	1.3
137.02371	0.9
145.02879	1.4
147.04414	3.2
149.02339	0.6
150.03114	1.2
151.00227	0.5
151.03925	7.1
159.04404	1.4
161.02374	5.8
161.04469	0.8
161.05836	0.5
162.02948	0.7
163.00194	0.5
163.03925	1.0
164.01071	0.5
166.02611	1.5
173.04462	2.9
174.04774	0.9
175.03799	0.5
176.01079	1.0
177.01845	24.2
178.02223	1.3
179.03427	0.6
181.05026	1.4
187.03925	1.4
189.01862	54.4
190.02600	11.4
191.03439	10.0
191.05415	1.0
192.03717	0.4
203.03407	6.2
205.05057	0.8
216.00587	6.7
217.01366	35.9
218.01881	3.8
219.02928	14.3
220.03322	0.9
231.02936	11.4
232.03500	1.4
233.04494	1.5
241.05026	0.8
255.06720	0.6
256.07480	1.2
271.09778	1.2
281.04517	1.0
289.07269	2.0
289.10834	5.3
290.11179	0.6
291.40744	0.5
307.33514	0.5
323.05588	2.2
329.06357	0.5
341.06641	100.0
342.06982	10.8
380.77469	0.4
386.66595	0.4
399.01184	0.5
419.28281	0.4
451.10336	19.9
451.15540	0.8
451.28461	0.5
452.10535	3.5
452.17255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01255	4.2
61.98703	5.1
65.00194	0.6
69.03332	0.9
71.01259	2.2
71.53635	0.4
73.02812	0.9
81.03346	0.7
83.01255	0.6
85.02810	1.1
91.01792	0.7
93.03330	1.7
95.01260	0.4
95.04900	0.9
99.00749	0.4
101.02319	1.3
101.82959	0.3
103.05403	0.5
107.04903	2.6
108.02042	1.7
109.02835	22.4
110.03156	0.7
113.02317	1.0
117.03350	0.5
119.03456	0.4
119.04886	1.2
121.02855	0.9
122.03605	0.8
123.04411	15.6
125.02307	0.6
133.02861	3.7
135.04404	1.2
137.02364	0.7
145.02838	1.3
147.04422	3.2
149.02324	0.8
150.03136	0.6
151.00340	0.7
151.03935	5.5
159.04419	1.2
161.02351	6.9
161.04469	0.9
161.13113	0.4
162.02791	0.7
163.03941	0.8
166.02634	1.4
167.03468	0.5
173.04469	2.4
173.05952	0.6
174.04776	1.0
175.05045	0.6
176.01056	1.1
176.03989	0.4
177.01849	21.7
178.02170	1.4
181.04929	2.2
187.03918	1.6
189.01859	50.2
190.02573	10.8
191.03419	10.7
191.05392	0.7
192.03619	0.7
203.03421	6.0
204.03894	0.4
215.08978	0.4
216.00581	7.1
217.01363	31.3
218.01894	3.5
219.02936	13.6
220.03285	0.7
226.13080	0.4
231.02953	10.6
232.03503	1.5
233.04448	1.0
241.05103	1.0
245.08171	0.4
256.07339	0.9
271.09732	1.7
277.09644	0.5
281.04538	1.1
285.12421	0.7
289.07120	2.5
289.10828	4.3
297.07690	0.5
323.05533	1.2
341.06638	100.0
342.06979	11.7
342.11209	0.5
353.08331	0.4
357.06332	0.5
377.76941	0.4
451.10315	22.4
451.22812	0.9
452.04749	0.6
452.10623	3.8
452.17850	1.2
464.65353	0.4
473.25296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02386	0.6
59.01244	4.4
61.98711	1.2
68.74641	0.7
69.03328	1.0
70.39470	1.1
70.39802	1.1
71.01250	2.1
73.02807	1.5
77.61971	0.6
81.03287	0.6
83.01244	0.6
85.02814	1.4
87.00761	0.6
89.02321	1.1
89.03863	0.7
90.81156	0.6
90.98461	5.3
91.01751	0.6
93.03335	1.4
95.04892	1.3
96.00267	1.0
97.02845	0.8
101.02325	1.5
108.02068	1.3
109.02839	30.5
109.03594	1.5
110.03173	1.2
111.04398	0.7
111.28065	0.5
112.56844	0.6
113.02330	1.0
117.03344	0.7
119.04928	1.5
121.02862	1.5
123.04407	13.2
125.02273	0.8
133.02884	5.3
134.03613	2.1
135.00685	0.7
135.04408	2.2
137.02364	3.4
145.02809	1.6
147.04417	2.7
147.66237	0.6
149.02345	1.5
150.03123	0.6
151.03920	9.1
153.01859	4.2
155.10692	1.1
159.04454	1.5
161.02344	9.4
162.03168	4.8
163.03896	4.1
165.01790	0.7
173.04424	3.4
176.01062	1.0
177.01854	30.9
178.02151	1.7
187.03923	3.2
187.07483	1.0
188.04655	1.9
189.01860	48.1
190.02592	15.8
191.03415	8.4
191.05525	1.8
201.11333	0.7
203.03410	4.6
216.00618	8.3
217.01367	27.8
218.02036	3.2
219.02957	12.1
220.03400	0.7
227.07085	1.1
229.08672	1.1
231.02945	8.1
232.03354	1.3
257.04489	0.9
264.04175	0.9
274.08542	1.3
281.04572	6.8
282.05054	1.3
287.05597	1.4
289.03943	0.6
289.07315	3.1
295.06497	0.7
297.07611	3.2
299.05609	8.7
313.54477	0.7
323.05655	1.2
341.06641	100.0
342.06976	9.7
379.12067	0.7
379.19440	3.8
407.11929	0.9
451.10333	20.3
451.17728	4.1
451.23486	0.8
452.10745	3.9
452.16992	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70255	0.3
57.03325	2.4
59.01240	1.2
69.03345	0.5
69.23901	3.6
81.03334	2.9
83.01260	3.6
85.02827	0.5
93.03326	1.4
95.01248	0.8
95.04907	3.1
96.95911	0.8
97.02827	5.8
102.20174	0.3
105.03329	0.5
108.02061	1.2
109.02839	22.3
110.03168	0.8
121.02857	2.9
122.03618	1.2
123.04411	14.9
123.05303	0.9
124.04722	0.4
125.02344	16.1
126.02686	0.7
135.04428	2.2
137.02347	12.5
138.03149	0.4
139.03917	3.9
143.04900	0.4
145.02841	1.6
146.03607	1.2
147.04483	0.5
147.08157	0.4
149.02347	7.4
150.03090	1.6
151.03938	8.3
152.04233	0.5
157.06500	0.5
159.04407	2.5
160.05196	1.5
161.02351	2.6
161.06003	5.4
162.03120	1.9
163.03909	1.6
163.45361	0.3
164.01077	3.8
165.01855	5.0
166.02486	0.5
167.03441	1.7
168.65230	0.3
173.04564	0.5
173.06003	1.0
174.03123	0.8
175.03931	1.9
175.07503	2.0
177.05502	0.6
179.03423	5.6
182.47630	0.4
185.06013	1.0
187.03941	4.6
188.01108	0.6
188.04665	3.7
189.01831	0.5
189.05162	0.4
190.02669	0.4
192.65691	0.4
193.04945	0.7
199.07602	0.7
201.05522	0.9
202.06332	1.9
203.03462	0.9
203.07083	13.3
204.07430	0.8
205.05000	8.1
206.05348	0.7
207.42587	0.5
217.08575	0.7
221.08200	2.9
227.07153	2.3
230.05754	0.4
231.03026	0.9
245.08170	18.5
246.08537	1.6
247.06099	1.3
271.06183	2.2
287.43484	0.4
289.07184	100.0
290.07516	10.1
313.07135	2.1
328.47778	0.4
355.08191	0.7
451.11816	1.2
451.21469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
59.01241	1.5
59.01503	0.3
62.84444	0.3
69.41551	1.3
69.41982	1.4
81.03332	1.7
83.01255	1.4
85.02805	0.5
89.49019	0.3
89.78774	0.3
93.03341	0.6
95.01273	0.4
95.04905	2.0
96.95879	0.9
97.02832	3.1
98.19865	0.6
107.05016	0.3
108.02004	0.3
109.02840	13.6
110.03157	0.8
111.28991	0.3
121.02858	2.2
122.03585	0.4
123.04414	8.5
125.02339	9.7
135.04398	1.1
137.02348	7.2
138.02989	0.4
139.03867	1.8
145.02844	1.1
146.03625	0.9
147.04410	0.6
149.02364	4.8
149.04361	0.4
150.03090	0.7
151.03915	5.1
152.04228	0.6
159.04422	1.4
160.05237	0.9
161.02322	1.3
161.06004	3.0
162.03078	0.9
163.00273	0.4
163.03899	1.1
164.01050	1.6
165.01823	2.7
166.02452	0.4
167.03413	1.4
173.04486	0.5
173.05922	0.6
174.03157	0.4
175.03860	1.5
175.07539	1.2
177.05499	0.5
179.03413	3.5
185.06023	0.7
187.03909	2.7
188.04741	1.9
189.01807	0.6
191.05600	0.4
199.07567	0.5
202.06332	1.6
203.03473	0.7
203.07077	7.0
204.07483	0.8
205.04984	4.2
221.08115	1.6
224.88777	0.3
227.07123	1.1
231.03000	0.6
245.08174	11.4
246.08565	0.7
247.06099	0.9
271.06119	1.2
289.07175	100.0
290.04440	0.7
290.07529	8.8
304.16730	0.4
313.07233	2.0
355.08200	0.5
451.12427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
58.00477	0.7
59.01252	100.0
60.01597	1.4
61.98703	3.8
71.01254	16.4
71.53070	0.8
71.53457	0.6
72.99201	1.4
73.02821	3.9
76.05991	0.6
83.01278	1.8
83.67222	0.6
85.02821	6.0
86.33115	0.5
87.00747	1.2
87.04391	0.7
88.98679	3.9
89.02325	11.7
93.03355	1.6
95.01289	0.8
97.02840	0.8
99.00798	1.0
101.02316	9.2
103.03898	0.7
109.02859	1.5
113.02324	5.5
119.03391	6.5
123.04466	0.6
125.02371	2.0
131.03407	0.7
135.04408	1.4
137.02400	1.5
143.03406	1.1
149.04506	0.9
155.10654	0.9
159.02946	0.7
161.04431	2.7
163.03900	1.1
167.03447	1.3
173.04463	3.0
179.05540	3.9
183.21759	0.5
191.05646	1.8
205.57614	0.6
250.53294	0.6
289.07025	1.2
289.20224	5.8
304.49280	0.6
391.23322	1.7
411.27945	0.7
451.11389	0.6
451.25516	16.3
452.26053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01581	1.6
71.52537	2.1
78.46507	1.1
78.95757	2.1
80.09824	1.0
81.03336	3.4
83.04892	13.3
90.45313	1.0
96.95869	1.9
113.09617	1.2
148.47180	1.0
152.18056	1.0
240.79242	1.1
255.90253	1.3
391.29648	39.5
392.30121	6.6
451.15247	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.23222	0.1
52.94636	0.1
62.96280	0.3
67.47670	0.1
78.95779	19.8
80.08964	0.1
85.17951	0.2
111.20831	0.1
122.00033	1.0
134.98407	0.2
140.01096	4.7
152.99518	1.9
166.02721	0.3
171.00568	0.2
196.03749	9.6
197.04059	0.2
214.04807	2.2
215.05412	0.2
229.35568	0.2
237.22137	0.2
255.23274	100.0
256.23633	10.0
373.24796	0.2
449.39127	0.2
452.27823	22.7
453.28180	3.4
477.86343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10109	0.5
57.03319	1.0
59.01254	100.0
60.01591	1.6
61.98713	4.2
66.54903	0.6
69.03324	3.9
71.01250	3.5
71.52963	1.0
73.02834	2.1
83.04904	0.6
85.02836	0.9
87.00776	0.7
93.03339	0.9
97.02843	1.9
99.00777	1.3
101.02322	3.3
108.00525	0.5
109.02893	0.9
113.02358	1.0
119.03414	0.5
125.02410	1.1
131.60480	0.5
137.02382	0.7
149.53467	0.6
151.03958	0.8
171.10269	0.7
173.04561	1.2
185.00807	2.9
222.45952	0.5
249.14967	0.6
268.09283	0.6
335.11719	1.0
426.15488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03129	0.3
50.62243	0.3
55.01757	3.1
58.18633	0.3
59.01255	4.6
61.98690	0.6
64.89353	0.3
67.01746	1.0
69.03325	100.0
69.06586	0.3
69.91120	0.3
70.03658	2.0
70.84766	0.5
70.85101	0.8
71.01254	3.2
72.99196	2.1
73.02813	0.9
79.01778	1.1
79.63813	0.3
83.01260	0.8
85.02827	1.5
87.04366	0.4
89.02328	0.6
95.01270	2.4
97.02827	20.0
98.03179	0.5
99.00755	24.6
100.01083	0.3
101.02330	1.3
103.03888	1.5
113.02324	1.2
123.00771	1.1
125.02363	0.5
137.02353	0.5
141.01822	6.9
154.39969	0.3
179.10628	0.8
185.00839	65.3
186.01149	2.8
246.87244	0.4
267.16000	1.3
287.46567	0.3
302.36316	0.3
439.93777	0.3
453.17661	13.4
453.28226	0.8
454.18045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.1
57.03318	1.3
58.00471	0.6
59.01252	9.4
61.98712	2.5
67.01768	1.1
69.03328	100.0
69.16763	2.3
69.17185	3.1
70.03681	2.3
71.01250	5.9
72.99194	2.9
73.02817	2.2
79.01793	1.3
81.03307	0.5
82.38127	0.4
83.01254	1.6
85.02821	3.9
87.04398	0.6
89.02334	2.0
93.03352	1.9
95.01280	3.2
97.02833	19.4
99.00761	25.2
99.04434	1.6
100.01104	0.6
101.02318	2.8
101.58212	0.6
109.02827	0.7
111.04392	0.5
113.02332	3.5
113.05975	1.1
119.03464	0.5
121.02833	0.5
123.00786	1.9
134.03667	0.5
135.04416	2.5
137.02348	0.6
137.09605	0.5
141.01851	8.3
143.04564	0.9
150.03130	0.8
151.03966	0.8
155.10692	1.1
161.02380	0.5
161.04495	0.7
163.03946	0.9
173.04483	2.7
179.03407	0.5
184.06142	0.7
185.00845	61.4
186.01224	2.6
191.05597	1.7
194.92090	0.6
212.69113	0.5
267.16031	1.4
289.07324	1.0
294.20636	0.7
300.02679	0.8
359.28525	0.6
435.23764	1.1
453.17804	12.1
453.24973	5.4
454.18332	2.4
454.24463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.0
61.98704	100.0
71.52761	1.0
116.98470	0.9
148.36362	0.9
170.88185	1.1
171.10138	1.9
333.19644	1.0
455.35074	3.2
456.93655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21630	0.4
59.01243	1.6
69.24723	2.5
69.25137	1.1
71.01269	0.7
73.02814	0.9
85.02821	0.7
93.03337	0.9
98.20557	0.7
101.02314	0.5
117.03416	0.4
119.04919	100.0
120.05252	4.6
125.02345	0.7
127.89050	0.4
149.04472	1.1
163.03918	88.7
164.04239	5.2
173.04527	0.7
191.05605	0.5
325.09250	6.8
326.09525	0.7
457.13367	6.5
458.13907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.1
57.03309	1.0
59.01253	10.0
59.10746	0.5
67.01756	1.1
69.03326	100.0
70.03663	2.0
71.01257	3.4
72.16734	0.5
72.99192	2.2
73.02824	1.7
74.73645	0.4
79.01777	1.3
83.01257	1.1
83.04929	1.1
85.02831	2.1
87.00726	0.9
89.02323	1.3
95.01241	2.8
97.02831	21.3
98.03149	0.7
98.19850	1.4
99.00760	25.2
100.01089	0.6
100.03909	0.5
101.02331	2.0
113.02332	1.6
116.03434	0.6
123.00739	0.7
125.02327	0.9
140.65141	0.5
141.01834	6.3
173.80586	0.5
174.43094	0.5
185.00839	71.7
186.01093	2.5
209.83171	0.5
227.16492	0.6
241.17928	0.9
271.19150	2.2
277.18344	0.5
415.23047	0.7
457.20612	9.7
457.26605	1.3
458.20712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28003	0.4
55.58201	0.4
63.86558	0.4
69.03356	0.4
69.75922	2.4
89.92168	0.4
98.19824	0.6
99.92448	4.0
100.92680	0.4
100.93239	2.9
108.09451	0.4
115.91962	100.0
116.91968	5.0
116.92744	5.1
127.98366	0.4
132.92239	0.7
172.95387	4.0
184.23515	0.4
283.26343	0.6
338.71613	0.4
409.20685	0.9
457.22690	2.8
458.22681	0.8
462.34235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54271	0.2
56.51682	0.2
57.03332	1.1
58.00472	0.4
59.01251	100.0
60.01585	1.3
63.31439	0.2
66.27052	0.2
69.03333	0.4
71.01253	9.4
72.00945	0.2
72.01608	0.3
72.99187	0.4
73.02823	3.7
75.00755	0.2
83.01254	1.4
83.15441	0.2
85.02831	2.7
87.00775	0.4
89.02316	4.6
93.03333	0.4
95.01276	0.6
95.04900	0.3
97.02824	0.2
98.19682	0.4
99.00761	0.5
99.04491	0.2
101.02325	5.5
112.45554	0.2
113.02324	6.2
113.03063	0.3
119.03394	1.7
121.42777	0.2
125.02385	0.3
131.03432	0.5
135.04323	0.2
141.66180	0.2
143.03418	0.5
147.11711	0.3
155.10735	0.7
161.04480	1.7
173.04509	0.4
173.13277	0.5
179.05554	0.6
184.01848	0.2
191.05539	0.3
191.14371	0.3
199.09711	0.5
230.37282	0.3
235.13469	0.5
253.14513	1.3
300.02789	0.4
303.14630	0.4
315.05063	0.3
357.47049	0.2
377.63690	0.2
397.22537	0.6
415.23596	0.8
416.23932	0.3
457.21216	0.7
458.20667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03331	0.7
57.36645	0.3
58.00472	0.7
59.01251	100.0
60.01586	1.4
61.98686	0.4
69.03337	1.0
69.33576	2.9
71.01253	17.4
72.01608	0.5
72.99188	1.5
73.02820	8.7
75.00768	0.4
81.03354	0.3
83.01263	2.6
83.04890	0.4
85.02824	4.6
87.00754	0.7
89.02317	7.7
90.98492	0.5
93.03362	0.9
95.01278	1.4
97.02847	0.6
99.00772	1.6
99.04375	0.5
101.02324	12.2
102.02660	0.4
109.02820	0.5
113.02331	12.1
119.03403	2.4
119.04900	2.3
123.40607	0.3
125.02374	1.2
131.03380	1.0
135.04407	0.5
143.03404	0.9
143.25862	0.4
145.02946	0.4
149.04512	0.8
155.03389	0.6
161.04456	2.7
163.03961	3.2
169.92935	0.3
173.04506	1.6
179.03441	0.4
179.05582	0.6
181.98465	0.3
185.00937	0.6
191.05589	1.0
212.03340	0.3
231.02574	0.3
231.18884	0.3
235.13286	0.6
253.14293	0.3
273.12543	0.5
295.05746	0.4
298.80240	0.4
397.22662	2.1
398.22852	0.5
415.23422	1.5
457.20892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03321	1.5
58.00466	0.4
59.01250	100.0
60.01583	1.5
60.01875	0.3
69.03313	0.8
69.17098	4.2
70.88982	0.3
71.01253	18.2
72.99166	0.6
73.02826	4.6
83.01243	2.2
85.02823	7.5
87.00768	1.3
88.14066	0.4
89.02310	9.8
89.02834	0.5
95.01269	2.4
97.02830	1.1
98.20567	0.9
99.00749	1.8
99.04384	0.4
101.02322	9.6
112.01556	0.5
113.02331	18.1
114.02703	0.7
119.03397	4.2
125.02399	0.4
128.26541	0.4
131.03407	0.6
143.03433	1.6
161.04457	4.1
165.12794	0.4
177.05353	0.4
179.03461	0.4
179.05516	1.1
253.17967	0.4
286.09647	0.4
312.56717	0.4
327.18173	0.7
397.22253	8.8
398.22675	1.4
415.23389	10.0
416.23798	1.0
432.68787	0.3
443.95761	0.4
448.18283	0.4
457.24808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	77.9
59.37571	2.5
70.23499	5.5
70.23890	5.8
71.01249	49.9
73.02821	80.5
82.13963	2.8
83.01263	3.6
85.02836	9.9
89.02322	60.7
98.20500	3.5
99.00775	3.9
101.02338	28.5
113.02335	26.8
116.92708	4.0
117.01825	100.0
118.04984	4.1
119.03384	23.3
120.09647	3.1
127.96983	3.0
131.03413	2.6
143.03453	3.8
143.51472	2.8
149.04465	3.0
159.11771	3.0
161.04439	5.4
179.05510	34.7
193.12276	6.9
208.03299	3.8
337.16302	3.9
341.10895	76.9
342.11179	5.8
353.51175	3.0
355.17834	5.6
448.00208	3.1
459.18710	65.9
460.18970	10.4
477.68503	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	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44179	0.7
53.98956	0.8
55.01742	1.8
57.03320	3.2
58.00479	1.1
59.01252	100.0
60.01573	1.0
66.09282	0.8
68.99629	1.0
71.01253	29.7
72.99177	3.1
73.02818	12.2
83.01261	6.3
85.02826	15.3
85.42044	0.9
85.99992	1.4
86.41283	1.0
87.00757	2.2
89.02313	9.4
95.01263	1.8
97.02821	1.8
99.00754	3.6
101.02319	23.4
109.02766	1.3
111.00814	1.2
113.02341	11.8
119.03395	3.5
119.04929	1.2
121.06465	1.2
123.08022	1.0
125.02325	2.3
135.04396	2.0
135.08009	0.9
137.05971	1.3
141.01880	1.0
143.03439	1.8
149.06065	1.2
159.02858	1.6
161.04480	5.4
165.05453	2.3
175.11224	1.2
191.05472	1.2
193.12277	33.0
194.12593	3.3
202.39049	1.0
207.10217	4.1
211.13390	1.6
235.13094	1.1
237.11272	2.4
255.12462	1.0
307.05505	1.1
307.15475	1.4
327.08859	2.1
337.16544	27.3
337.20502	1.8
338.16904	3.4
344.47150	0.9
355.17612	60.2
356.18042	6.7
373.18716	10.8
374.19104	1.5
417.17807	1.2
459.18710	69.9
460.19394	7.3
462.67950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44179	0.7
53.98956	0.8
55.01742	1.8
57.03320	3.2
58.00479	1.1
59.01252	100.0
60.01573	1.0
66.09282	0.8
68.99629	1.0
71.01253	29.7
72.99177	3.1
73.02818	12.2
83.01261	6.3
85.02826	15.3
85.42044	0.9
85.99992	1.4
86.41283	1.0
87.00757	2.2
89.02313	9.4
95.01263	1.8
97.02821	1.8
99.00754	3.6
101.02319	23.4
109.02766	1.3
111.00814	1.2
113.02341	11.8
119.03395	3.5
119.04929	1.2
121.06465	1.2
123.08022	1.0
125.02325	2.3
135.04396	2.0
135.08009	0.9
137.05971	1.3
141.01880	1.0
143.03439	1.8
149.06065	1.2
159.02858	1.6
161.04480	5.4
165.05453	2.3
175.11224	1.2
191.05472	1.2
193.12277	33.0
194.12593	3.3
202.39049	1.0
207.10217	4.1
211.13390	1.6
235.13094	1.1
237.11272	2.4
255.12462	1.0
307.05505	1.1
307.15475	1.4
327.08859	2.1
337.16544	27.3
337.20502	1.8
338.16904	3.4
344.47150	0.9
355.17612	60.2
356.18042	6.7
373.18716	10.8
374.19104	1.5
417.17807	1.2
459.18710	69.9
460.19394	7.3
462.67950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
59.01251	100.0
60.01588	1.4
68.68356	0.8
69.03320	1.3
69.18140	0.7
69.41668	0.7
71.01253	15.2
71.53082	0.8
71.53480	1.0
72.99199	1.0
73.02815	10.5
83.01246	3.7
85.02804	4.7
85.69950	0.6
87.00785	0.8
87.04383	1.0
89.02313	4.4
90.98489	0.7
93.03351	1.4
95.01269	1.5
97.02836	0.8
99.00756	1.8
101.02324	10.8
105.15270	0.6
108.84205	0.7
113.02332	8.5
113.20559	0.8
119.03403	2.4
130.08487	0.7
135.04430	0.9
143.03381	1.0
161.04434	3.7
163.04080	0.8
173.04509	1.4
191.05586	1.7
193.69858	0.7
202.35246	0.8
220.20528	0.8
240.04279	3.6
255.06589	4.6
311.93884	0.7
345.93689	0.8
348.61505	0.7
373.18726	1.7
399.24057	5.3
410.97601	0.8
415.19720	4.3
417.25336	1.6
459.22519	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03336	0.6
58.48474	0.1
59.01249	100.0
59.89270	0.1
60.01580	1.1
69.32506	0.5
69.32935	0.5
71.01251	7.9
72.99184	0.2
73.02819	1.8
78.65274	0.1
83.01264	0.8
85.02821	3.7
87.00765	0.4
87.04391	1.0
89.02323	1.7
95.01250	1.0
97.02850	0.1
98.20541	0.3
99.00755	1.2
101.02323	3.1
102.02740	0.1
113.02327	6.3
114.02738	0.1
119.03375	0.3
125.02322	0.2
143.03410	0.3
159.02924	0.5
161.04448	2.7
169.34576	0.1
195.93483	0.1
255.19708	0.5
369.23080	0.1
399.23828	4.9
400.24271	0.8
417.24948	2.4
417.30222	0.2
418.25363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43982	0.6
55.01756	1.3
56.84700	0.5
57.03328	1.2
58.00460	1.4
59.01251	100.0
60.01601	0.8
61.98713	1.0
63.79928	0.6
68.65417	0.6
69.03318	1.0
71.01254	26.1
71.52915	0.6
72.99195	2.0
73.02817	13.6
83.01254	4.2
85.02821	9.2
85.99993	1.2
87.00772	3.5
89.02316	11.7
95.01286	1.9
96.87749	0.5
97.02825	0.7
97.76155	0.5
99.00769	2.5
101.02321	18.6
102.02661	0.8
103.03917	1.7
105.32102	0.6
113.02341	11.1
113.03086	1.0
119.03388	5.8
120.29677	0.5
121.02883	1.1
125.02342	1.9
127.03992	0.6
131.03395	0.9
143.03436	3.4
159.02908	0.8
161.04466	6.3
175.34174	0.6
179.05568	2.1
185.37196	0.6
193.15924	0.8
209.15411	1.5
255.15936	0.9
255.19612	4.1
297.20834	2.3
306.15143	0.7
338.25217	0.8
399.24045	6.2
417.25269	15.0
418.25397	1.8
459.22308	16.1
460.22473	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03320	1.2
58.00460	0.4
59.01252	100.0
60.01307	0.2
60.01579	1.3
69.03338	0.7
71.01255	14.3
71.04920	0.4
72.01608	0.3
72.99193	0.9
73.02817	5.9
75.00762	0.3
81.03336	0.4
83.01260	1.8
85.02824	5.5
85.99973	0.2
87.00748	1.3
87.04402	1.0
89.02317	5.0
93.03341	0.4
95.01275	1.1
97.02863	0.4
97.35595	0.2
99.00758	1.7
99.04435	0.8
101.02325	9.4
106.02916	0.2
111.00781	0.8
113.02329	7.4
119.03383	1.9
125.02327	1.3
132.57849	0.2
137.09689	0.4
143.03442	0.7
159.02931	0.3
161.04454	3.7
174.06714	0.2
179.05591	0.6
191.05530	0.3
239.16631	0.4
255.06662	0.3
255.19781	0.8
279.84598	0.3
297.21078	0.7
329.19849	0.5
353.03992	0.3
366.90802	0.2
399.23901	8.6
400.24469	1.1
415.21603	0.4
415.30771	0.3
417.24985	8.8
418.25394	1.1
459.22620	0.9
459.29800	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03310	0.5
58.00475	0.3
59.01251	100.0
59.09855	0.3
60.01590	1.6
61.01669	0.5
62.35374	0.2
69.03335	0.6
71.01255	7.0
71.53178	0.5
72.01612	0.3
72.99184	0.4
73.02831	2.3
83.01283	1.0
85.02824	2.9
87.00792	0.6
87.04399	0.8
89.02325	3.0
95.01280	0.9
95.11875	0.3
97.06461	0.3
99.00801	0.6
101.01688	0.5
101.02326	4.9
101.05975	0.7
107.04860	0.4
111.00804	0.5
113.02335	3.2
118.94922	0.3
119.03401	1.1
120.46210	0.3
124.01502	0.3
125.02360	0.9
136.46501	0.3
143.03421	0.5
149.06009	0.6
161.04486	1.7
173.04492	0.3
179.05579	0.5
210.47554	0.3
237.14912	0.4
255.19751	0.5
381.22833	0.3
399.23801	3.1
417.24698	3.3
418.25510	0.6
437.12628	0.3
459.09363	0.6
459.21817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.28305	1.2
70.54053	3.8
90.27457	1.1
107.04910	29.5
108.05251	1.8
163.11206	100.0
164.11531	4.7
183.87810	1.3
283.17026	26.0
284.17416	2.5
295.16995	15.0
306.42261	1.3
358.09805	1.4
426.44336	1.3
459.29047	74.6
460.29364	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	461.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
59.01253	6.7
59.49948	0.3
60.74082	0.3
68.79068	0.3
70.55126	0.5
70.62228	0.3
71.01259	2.0
72.99175	0.5
73.02804	1.0
85.02832	1.6
87.04420	0.4
89.02312	0.5
90.88219	0.3
101.02310	0.8
109.02826	0.6
113.02330	1.0
118.97973	0.6
119.04930	0.6
123.04418	0.8
125.02328	0.5
127.11216	0.3
147.04370	0.4
153.01759	0.6
165.16800	0.3
175.04030	0.4
177.01857	0.7
189.01866	0.6
197.05888	0.5
198.06805	1.9
199.07069	0.4
213.05518	1.4
214.02713	0.3
214.06223	0.7
225.05490	0.5
240.04175	0.4
240.07951	0.6
241.01407	1.8
241.05013	2.7
242.05817	100.0
243.06119	8.3
245.00893	1.0
256.07330	0.5
257.08179	99.8
258.08530	7.9
269.04575	0.4
270.01678	1.5
271.02560	1.7
298.01205	0.8
298.08121	0.3
299.01974	2.3
299.09253	0.9
299.16479	1.4
309.07629	0.4
341.06595	2.3
401.12112	0.4
461.07156	3.0
461.13907	4.4
461.24026	0.3
461.31882	0.7
462.07465	0.5
462.13867	0.7
481.83496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.4
59.01250	6.5
60.64059	0.2
65.00202	1.0
70.90146	0.4
71.01245	0.4
73.02841	0.2
75.56164	0.2
81.03330	5.4
82.03655	0.2
83.01247	2.4
87.10610	0.2
93.03317	0.2
96.47636	0.2
97.02840	0.3
97.60901	0.2
101.02340	0.2
107.01277	1.1
107.04893	0.3
109.02852	0.5
121.02808	0.4
122.03640	3.1
124.01561	0.2
125.02338	10.4
126.02692	0.3
131.04910	0.8
134.40833	0.2
138.16765	0.2
139.03915	0.2
143.08578	0.3
147.08060	0.5
148.01541	0.2
149.02405	1.1
149.05965	0.9
151.00276	2.2
152.01013	0.2
153.01726	0.2
153.06999	0.4
153.12753	0.4
155.04945	0.6
156.05757	1.4
166.02646	0.5
167.03386	0.3
167.08600	0.4
169.06499	1.9
171.08054	2.6
172.08429	0.2
173.06001	4.3
174.06287	0.4
179.10754	0.3
183.08081	0.2
185.09613	0.2
190.02644	0.3
195.08083	2.8
197.06064	0.3
197.11752	0.6
198.06754	0.3
211.07594	0.5
213.09155	15.8
214.09497	1.5
232.60439	0.2
239.07104	6.4
240.07504	0.7
241.01257	0.2
242.02049	0.2
249.95670	0.2
253.08676	0.4
255.06474	0.2
257.08170	100.0
258.08517	9.9
281.08142	0.5
299.09280	0.9
441.30392	0.2
461.14078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.4
57.03315	0.6
59.01252	14.1
60.01584	0.5
65.06595	0.3
70.73321	1.0
71.01255	4.5
73.02834	2.0
78.23531	0.3
81.03319	0.9
83.01256	0.6
85.02836	1.9
87.00764	0.5
89.02337	0.8
93.03331	3.6
95.01266	1.0
99.00747	0.7
101.02318	2.6
107.01246	0.4
108.02081	1.9
109.02802	0.3
113.02319	2.0
121.02844	7.3
121.70122	0.3
122.03673	0.5
123.04392	0.4
125.02324	1.1
133.02824	0.4
135.04410	0.9
137.02347	0.5
149.02371	0.5
151.00328	0.4
151.03897	1.3
161.04482	0.8
173.05936	0.4
184.67545	0.3
186.03165	0.3
198.06866	0.6
199.07669	0.8
207.10197	0.5
209.06070	0.4
211.07518	2.0
213.09143	3.3
226.06300	3.6
227.07043	4.2
241.01410	2.8
241.08665	10.1
242.02141	0.9
242.09442	18.5
243.09818	1.4
245.00893	0.8
257.08264	7.1
257.11807	100.0
258.08597	0.8
258.12143	8.8
270.01709	2.7
271.02451	2.1
281.08163	1.4
285.04044	1.5
298.01260	0.8
299.01929	2.2
299.09192	0.8
311.09036	0.4
317.21115	0.4
461.07233	3.8
461.14041	0.7
461.25827	0.4
461.31366	4.1
462.07654	0.8
462.31610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90878	0.1
57.03327	1.4
59.01252	34.1
60.01591	0.5
63.02269	0.2
65.00189	1.1
66.91285	0.1
69.03326	0.2
71.01260	0.6
73.02827	0.4
78.43565	0.1
81.03330	4.9
82.03684	0.2
83.01258	2.5
85.02824	0.2
87.77385	0.1
89.02319	0.2
93.03371	0.2
95.01265	0.2
95.04941	0.2
99.00802	0.2
101.02348	0.5
107.01273	1.1
107.04915	0.2
109.02853	0.4
113.02353	0.3
118.98023	0.1
121.02847	0.5
122.03627	3.4
124.01572	0.4
125.02335	10.3
126.02664	0.5
131.04913	0.6
135.04561	0.2
137.02333	0.3
139.03912	0.3
141.07069	0.2
143.08545	0.3
147.08095	0.5
148.01598	0.2
149.02342	1.2
149.05965	0.7
151.00276	2.4
152.01036	0.3
153.07011	0.5
153.12746	1.9
154.13098	0.1
155.04938	0.4
156.05721	1.2
161.04488	0.3
166.02628	0.4
167.03412	0.4
167.08553	0.2
169.06500	1.8
170.07042	0.2
171.08055	2.5
172.08441	0.2
172.35037	0.1
173.06004	4.2
174.06319	0.3
177.01791	0.2
179.10727	0.7
183.08096	0.2
185.09651	0.2
189.09094	0.1
190.02687	0.2
195.08090	2.9
196.08342	0.3
197.05939	0.2
197.11766	3.5
198.06715	0.2
198.12166	0.4
211.07652	0.4
213.09151	15.8
214.09479	1.4
239.07095	6.1
240.07358	0.6
241.01364	0.4
241.04988	0.2
245.00859	0.4
253.08759	0.3
257.08173	100.0
258.08505	9.1
269.04480	0.3
270.01672	0.3
271.02435	0.3
281.08145	0.5
284.06873	0.4
298.01044	0.2
299.01920	0.4
299.09186	1.3
302.19690	0.2
461.07120	0.8
461.14056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.02899	3.3
71.01249	36.6
71.52126	3.4
72.04718	3.6
73.02815	6.5
83.01255	5.2
85.02800	10.7
89.02308	29.9
101.02326	28.8
113.02324	15.1
119.03371	11.3
125.00658	3.4
131.03343	4.4
135.96408	4.0
137.05937	5.4
138.69482	3.6
139.07550	26.1
143.03400	7.4
151.87265	3.6
153.09047	4.0
161.04445	28.1
168.07797	15.5
179.05458	6.4
191.05553	8.7
191.10736	17.5
209.11794	7.0
221.11740	16.7
233.71594	3.3
239.12798	38.7
240.13165	3.9
371.17203	12.3
401.18210	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64470	1.1
57.03316	2.8
59.01252	100.0
61.39603	1.1
65.61900	1.1
71.01256	25.7
72.01584	1.4
72.99188	4.2
73.02820	6.7
74.02335	1.4
75.00748	32.8
76.33603	1.2
83.01259	4.3
83.11913	1.1
83.30782	1.0
84.53136	1.5
85.02821	11.4
87.00742	2.9
89.02318	23.7
95.01294	1.8
96.16536	1.3
99.00739	2.4
101.02323	19.5
109.02811	1.5
113.02332	17.8
115.45873	1.2
119.03386	10.4
121.06551	1.7
123.04402	6.0
123.08066	1.4
125.02347	5.0
131.03406	2.0
135.04347	1.9
135.08073	3.2
137.02466	1.2
143.03387	3.6
144.04149	3.5
147.44662	1.2
149.02425	1.1
149.04472	2.3
149.09618	1.5
161.02361	1.5
161.04460	5.0
167.03419	18.3
168.03841	1.6
173.04460	3.0
173.09624	2.4
176.08243	1.5
177.12706	1.8
178.99786	1.2
179.05533	8.0
184.95079	1.3
189.01784	2.0
189.92021	1.3
191.03404	4.0
191.05545	1.8
191.10741	9.5
192.11089	1.6
199.09296	1.1
201.71648	1.3
203.10701	3.9
221.09904	1.4
221.11682	8.4
229.26498	1.4
239.12726	2.7
257.08148	1.9
300.14719	1.9
341.03024	7.0
357.18997	2.0
371.17065	2.6
401.18140	78.2
402.18561	9.5
419.19153	16.8
420.19550	1.4
461.06955	2.7
461.13321	4.0
461.20395	13.5
462.13431	1.6
462.20505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
57.03325	2.9
59.01253	86.9
61.57808	1.2
61.98694	1.6
71.01257	30.3
71.53399	2.0
72.99187	2.4
73.02824	13.9
75.00758	2.6
83.01269	5.1
85.02827	14.5
87.00779	2.6
89.02311	8.7
97.02850	1.1
99.00752	5.7
101.02323	26.2
109.02785	1.1
111.00784	1.4
113.02341	11.0
119.03408	2.2
125.02344	1.5
137.02318	1.2
143.03447	1.3
144.10033	1.2
151.00391	1.6
161.04491	4.6
165.09081	1.2
172.05496	1.2
173.04468	1.9
184.11320	1.2
184.39395	1.1
191.05505	1.5
195.13879	3.8
213.05418	1.6
221.11711	1.4
240.04639	1.2
242.05740	3.1
255.02927	1.7
257.08252	8.2
300.02774	1.3
353.01456	1.5
358.18939	1.4
378.22678	1.3
401.18161	100.0
402.18488	9.7
461.19434	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	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.5
59.01248	3.5
65.82114	0.4
70.33897	0.4
71.01254	0.5
73.84923	0.4
78.95779	8.0
79.21412	0.4
83.04875	0.8
95.97522	0.4
97.06501	0.5
101.02385	0.4
105.72988	0.4
109.06477	1.1
110.98407	5.6
112.47018	0.4
113.09612	16.8
114.09970	0.9
117.50322	0.4
139.11169	1.5
149.09573	0.7
152.99522	0.6
167.01077	2.2
167.10736	1.9
177.12798	1.0
179.10730	2.3
180.77277	0.4
183.13921	0.7
185.02133	6.1
195.13815	2.3
207.10155	0.5
225.11424	0.5
241.01411	1.9
242.01978	0.4
245.00877	1.1
248.25671	0.4
249.22231	2.6
270.01682	2.3
271.02435	1.1
275.20090	0.9
285.04047	1.6
293.21225	100.0
294.21570	11.1
298.01047	1.1
299.01935	2.0
408.61499	0.4
447.26865	0.5
461.07364	3.4
461.23102	12.2
462.23550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45358	0.4
52.50546	0.4
59.01232	1.5
62.27949	0.4
67.01746	0.4
69.03330	0.4
69.58612	0.9
69.59006	2.2
78.95772	9.5
110.98415	7.6
111.08022	0.5
150.70793	0.4
152.99493	0.6
154.86440	0.4
167.01071	2.8
179.14265	1.1
185.02129	6.5
195.13829	8.7
196.14323	1.0
205.12257	0.9
205.15810	0.6
211.13316	0.5
223.13324	8.7
224.13756	0.5
228.13660	0.7
231.21048	0.5
241.01370	2.4
242.02133	0.8
245.00922	0.8
256.13205	2.0
270.01666	2.0
271.02319	1.1
275.20102	4.9
276.20511	0.7
282.01392	0.5
285.04111	1.0
293.21222	100.0
294.21564	12.1
298.01117	0.7
299.01938	2.2
461.07648	2.5
461.23102	20.8
462.23395	3.7
482.08502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.7
63.53888	1.8
70.39274	1.9
70.58330	5.7
71.15534	1.8
75.00744	1.8
78.95779	34.1
92.14304	1.9
110.98420	24.1
167.01073	27.3
179.14308	1.9
185.02121	6.3
195.13844	14.5
201.19849	1.9
223.13356	8.7
225.11246	3.2
241.01294	11.9
245.00903	5.0
248.61293	2.0
256.13171	2.9
270.01752	9.4
271.02417	7.9
275.20081	5.5
276.20404	2.1
285.04056	6.0
293.21231	100.0
294.21567	9.6
298.01199	5.5
299.01956	12.1
367.99658	2.1
433.07657	2.3
449.91537	1.9
461.07388	17.9
461.23126	50.0
462.23590	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	0.6
65.00188	0.8
69.17827	0.3
69.20266	3.3
72.19701	0.3
75.85214	0.3
79.43957	0.3
83.01242	0.8
98.20523	0.6
100.00572	0.3
107.01244	2.2
108.02068	1.5
109.02842	1.0
121.02850	2.0
135.00752	0.7
148.01535	1.0
149.02351	0.4
151.00281	9.9
152.00571	0.5
152.83179	0.3
163.00314	2.1
164.00964	0.6
169.01370	0.4
178.99799	6.3
187.03937	0.4
191.03494	0.4
193.01277	0.4
199.04007	0.5
201.01921	0.3
203.03465	0.4
211.03850	0.8
215.03442	0.9
226.02649	1.6
227.03520	2.8
243.02965	8.0
244.03548	1.0
245.04510	1.0
254.02232	2.3
255.02972	19.9
256.03317	2.2
271.02475	45.1
272.02969	4.7
273.04025	1.2
283.02475	1.4
299.01843	1.1
300.02744	100.0
301.03448	54.0
302.03857	4.1
426.99011	0.4
463.08820	58.8
464.03091	0.6
464.09119	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.3
59.01254	8.4
63.02222	1.2
65.00179	2.4
65.71489	1.3
67.01767	1.5
67.59024	1.3
68.99677	2.4
69.38885	3.7
69.39296	6.1
71.01250	14.7
73.02809	7.3
73.10902	1.2
74.19222	1.2
77.40476	1.2
81.03350	1.8
83.01235	2.7
83.04871	1.4
85.02805	7.3
87.00745	2.9
89.02338	2.4
93.03336	2.4
95.01265	5.6
99.00772	2.5
101.02324	5.8
104.73078	1.3
107.01241	2.8
108.02054	2.7
109.02843	2.1
109.99968	2.1
111.00752	4.6
112.24312	1.3
113.02319	7.9
117.03327	1.6
121.02878	2.0
123.00766	3.6
135.00766	2.0
135.08057	3.6
137.02383	2.7
137.09586	9.7
137.99556	1.3
139.00308	3.0
151.00264	10.1
152.01016	3.2
153.01836	1.6
155.10687	98.5
156.11029	5.6
161.04443	2.6
161.28374	1.2
163.00291	5.5
165.99042	2.0
166.99805	2.4
171.04361	3.1
173.06015	2.0
178.99757	3.8
181.01314	1.4
183.04446	2.9
187.03937	3.3
197.50650	1.3
199.03905	3.4
199.08008	2.2
199.09708	26.2
201.05411	1.6
209.11792	10.7
211.03918	4.7
215.03461	3.6
226.02759	2.4
227.03438	12.6
227.12737	1.8
228.04114	2.2
229.04933	1.7
243.02969	23.9
244.03519	2.0
245.04520	1.8
254.02112	2.8
255.02968	49.5
256.03360	6.4
257.04532	10.3
262.29370	1.5
263.07700	3.3
271.02466	71.4
272.03125	21.4
273.03891	3.4
273.13388	6.2
283.02515	10.2
299.02036	2.1
300.02722	66.4
301.03494	42.7
302.03836	4.4
331.13928	4.1
331.17532	3.3
343.06415	1.6
387.16431	3.8
419.19254	1.3
431.15524	4.5
463.08743	100.0
463.18213	30.1
464.09146	15.7
464.18454	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	463.0885
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.01239	3.0
61.90462	0.3
63.02269	3.3
63.37506	0.3
65.00191	7.3
69.03323	0.3
70.93062	0.5
70.93385	0.4
71.01263	0.7
80.42502	0.3
80.55108	0.4
83.01249	4.2
83.69288	0.3
85.02817	0.6
89.02312	0.4
93.03335	1.3
95.01304	0.4
101.02319	0.8
107.01272	14.1
108.02071	1.3
108.99144	0.4
109.02844	1.7
121.02837	10.8
122.03190	0.5
123.04379	0.9
124.01566	0.4
125.02332	1.2
134.03635	3.7
136.01541	1.0
137.02371	2.2
137.09659	0.6
139.03931	0.6
139.80379	0.3
147.00768	0.4
148.01564	0.7
149.02379	1.1
149.05972	2.4
151.00275	55.3
152.00568	2.8
155.10677	2.3
159.04482	0.5
161.02344	0.7
162.01288	0.4
163.00305	1.8
164.01074	1.9
165.01801	0.6
165.12778	0.4
169.01344	2.7
173.04526	0.5
177.01866	1.0
178.99779	24.5
180.00122	1.2
183.04448	0.4
192.00407	0.5
193.01329	1.1
196.00073	0.6
199.03967	0.6
199.09692	1.2
203.03464	0.6
209.11816	0.4
211.03937	0.9
213.11218	0.5
226.02600	0.6
227.03548	1.8
227.12846	2.9
229.04977	1.5
243.02917	4.1
244.03505	0.7
244.07390	3.0
245.04460	1.2
254.02217	0.9
255.02969	8.8
256.03314	1.2
257.04504	1.1
257.08020	0.6
257.12796	0.4
259.09723	3.0
271.02457	19.9
272.02853	2.4
273.03976	3.0
283.02521	0.8
283.05930	0.8
299.01941	1.1
300.02728	31.6
301.03580	100.0
301.07065	16.5
302.03973	9.2
302.07483	1.6
331.14020	0.4
445.07654	1.5
463.08673	41.6
464.09033	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1248
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
51.12311	0.4
59.01261	3.4
63.02253	2.5
65.00195	6.9
71.01223	1.2
73.02784	0.7
81.03289	0.9
83.01260	4.5
84.84785	0.5
85.02775	0.6
89.02288	0.8
93.03317	0.6
107.01272	13.5
108.02062	5.5
109.02830	1.0
121.02763	2.0
123.04416	4.8
125.02317	2.2
131.01201	0.6
134.03635	22.3
135.04359	0.5
136.01479	2.1
137.02376	0.9
137.09630	0.6
149.05980	15.8
150.06242	0.8
151.00276	47.2
152.00565	1.8
155.10567	1.8
161.02254	0.5
163.00174	1.5
163.99919	0.5
164.01060	5.2
165.01819	2.6
169.01208	1.5
173.04286	0.7
173.05721	0.5
174.03069	0.8
175.00226	1.8
175.03899	0.6
177.01828	5.1
178.99753	2.3
187.03844	0.9
191.05264	0.5
193.01190	1.4
196.00015	2.8
199.03822	1.3
199.09540	1.0
201.01802	0.6
202.02498	0.6
211.03923	0.7
215.03339	1.0
216.04092	0.8
226.02560	0.8
227.03195	2.0
241.04950	0.6
243.02959	4.9
244.07216	2.1
245.04549	0.6
255.02953	9.9
257.08011	0.9
258.05240	0.6
259.09711	3.4
271.02457	20.9
272.02740	2.3
283.02258	0.7
283.05597	0.5
285.03937	0.7
286.04593	1.7
299.01767	0.7
299.05133	0.6
300.02737	32.3
300.06085	1.2
301.03278	23.4
301.06918	100.0
302.03699	1.9
302.07275	9.7
325.06836	2.2
331.13660	0.6
343.08408	2.3
445.07169	2.1
463.08301	21.4
463.25256	1.0
464.08679	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	463.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01587	2.5
61.01687	0.8
61.98702	1.0
71.01247	0.6
71.32162	0.7
73.02818	0.6
91.42168	0.4
101.02333	0.6
121.02878	0.7
122.03652	1.0
137.02315	0.7
137.06006	0.9
148.01649	0.3
151.00293	1.3
153.12772	0.9
154.13120	0.4
160.43666	0.3
178.48425	0.4
178.99754	0.7
197.11678	1.7
198.12126	0.8
199.12190	0.5
200.55762	0.3
227.03600	0.4
243.02995	1.4
244.07407	0.8
255.03027	3.4
256.03430	0.4
259.09793	4.9
260.10107	0.4
271.02475	8.2
272.02951	0.7
300.02747	11.1
301.03482	7.0
342.48740	0.3
463.08829	8.9
463.25250	0.4
464.08994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43079	0.2
52.00705	0.3
55.81439	0.2
57.57381	0.2
59.01250	4.8
65.00206	0.3
66.98325	0.2
69.03327	0.3
69.88200	0.2
70.15688	1.3
71.01257	1.2
73.02808	0.4
82.05670	0.2
83.01231	0.5
85.02835	0.7
87.00781	0.3
89.02322	0.9
95.42553	0.2
101.02329	1.0
107.01252	0.6
108.02055	1.9
109.02839	4.0
113.02338	0.4
121.02837	0.9
122.03674	0.4
123.00788	0.3
124.01556	1.4
125.02319	0.9
132.37927	0.2
136.01561	0.4
137.02350	21.9
138.03149	15.4
139.03474	0.6
141.79588	0.2
142.02618	0.3
149.02216	0.2
151.00291	1.8
152.01073	2.0
153.01848	1.1
155.10696	1.0
163.00307	0.2
163.03912	0.3
173.04553	0.3
178.99809	0.8
183.13858	1.2
191.05522	0.3
199.09731	0.6
226.02762	0.4
226.06313	0.3
227.03436	0.6
227.12904	1.4
229.08582	0.5
241.08638	0.3
243.02878	2.2
244.07367	2.1
253.09190	0.4
254.02182	0.5
255.02979	4.0
256.03342	0.4
257.08197	2.7
258.08835	0.8
259.09747	100.0
260.10092	9.3
261.00241	0.3
271.02469	9.3
271.09845	0.3
272.02899	1.2
295.51620	0.3
299.01898	0.3
300.02762	15.1
301.03467	8.4
301.10818	0.5
302.03912	0.8
331.13950	0.3
403.13858	1.1
421.15192	0.8
463.08850	11.6
463.16046	3.7
463.21524	0.6
463.26318	0.7
464.09177	1.7
464.16342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
59.40776	0.3
62.87679	0.4
71.01251	0.9
73.02818	3.1
85.02835	0.6
89.02316	0.7
93.38418	0.3
97.60146	0.3
98.19775	0.9
107.01266	0.6
108.02064	0.8
109.02834	1.2
121.02847	0.9
123.04402	1.8
131.03392	0.7
135.08037	1.5
137.02336	4.4
137.09624	7.0
146.64476	0.4
149.04483	0.4
151.00322	1.9
155.10681	100.0
156.11023	5.1
158.26823	0.4
163.00264	0.9
176.90866	0.4
178.99820	0.4
180.87700	0.4
199.09692	68.3
200.10030	4.2
209.05869	0.7
227.03384	1.1
227.07074	6.5
228.07396	0.6
243.02956	2.3
244.07358	2.4
254.02164	0.7
255.02937	4.5
256.03363	0.6
259.09738	6.7
260.09961	0.7
271.02472	9.7
272.02927	0.9
299.01938	0.4
300.02719	14.7
301.03473	9.0
302.03793	1.0
331.13968	30.3
332.14343	3.0
364.66653	0.4
412.13129	0.5
463.08698	13.0
463.18109	26.9
464.09061	1.6
464.18488	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
56.51037	0.3
57.03317	0.6
57.38652	0.3
58.00466	0.3
59.01253	10.1
69.18333	3.1
71.01254	6.5
72.08498	0.3
72.99166	0.5
73.02814	1.5
83.01256	0.8
83.04892	0.4
85.02816	1.7
87.00754	1.3
89.02318	4.8
95.01266	0.5
98.19832	0.6
99.00740	0.6
101.02327	6.3
110.65190	0.3
111.08061	0.8
113.02328	2.6
119.03381	1.6
125.02295	0.4
133.04964	0.3
140.98872	0.3
143.03468	0.3
151.00279	0.6
155.10756	0.4
161.04472	1.5
165.11368	0.5
165.12762	8.1
166.13094	0.6
176.33379	0.3
178.99800	0.4
179.05537	0.6
183.13829	100.0
184.14159	5.7
209.11830	1.6
227.12837	8.0
228.13220	0.6
235.08214	1.1
243.02959	1.2
253.09253	8.5
254.09572	0.5
255.03009	1.9
257.08173	0.8
258.08279	0.4
259.08731	0.5
268.28369	0.3
268.91986	0.3
271.02496	3.7
272.02646	0.4
300.02728	5.2
301.03461	3.5
445.20609	0.9
463.08887	4.4
463.21835	54.4
464.08932	0.5
464.22189	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03334	0.4
58.00470	0.4
59.01252	12.2
65.00190	0.3
66.39255	0.3
69.03349	0.6
69.92068	1.7
71.01249	4.8
71.01615	0.4
72.99190	0.5
73.02828	1.5
83.01273	1.0
85.02831	1.9
87.00751	0.7
89.02327	2.6
97.02823	0.4
99.00705	0.5
101.02320	3.5
107.01247	0.5
107.44428	0.3
108.02059	0.6
109.02835	0.7
111.04401	0.3
111.08029	0.9
113.02328	1.8
119.03397	1.0
120.99508	0.6
121.02866	0.7
133.04974	0.4
137.02359	0.6
148.01530	0.6
151.00267	3.2
153.01826	0.4
155.10667	1.4
161.04552	0.9
163.00331	0.7
165.12769	7.3
166.13046	0.3
173.04472	0.9
178.99815	1.5
179.03465	0.5
183.13832	100.0
184.14182	6.3
199.03891	0.5
199.09785	1.0
209.11797	1.5
226.02759	0.4
227.03444	1.3
227.12846	10.7
228.13197	0.8
235.08226	0.4
237.05829	0.8
241.14386	0.4
243.03011	2.7
244.03505	0.3
253.09273	5.1
255.02969	6.5
256.03436	0.7
257.08401	0.4
258.90298	0.3
259.09753	0.9
271.02472	16.5
272.02881	2.3
299.02014	0.5
300.02731	25.8
301.03461	15.2
301.06961	0.7
302.03848	1.5
343.08234	0.4
445.20450	0.5
463.08789	18.3
463.21829	55.3
464.08990	3.2
464.22208	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00798	0.8
51.78167	0.9
57.03300	1.6
58.00461	1.6
59.01252	59.5
69.84553	2.4
69.84965	2.8
71.01246	22.2
72.10656	0.9
72.99175	2.3
73.02820	2.9
76.27668	1.0
76.72083	1.0
83.01243	1.5
85.02825	6.4
87.00734	1.1
87.42297	0.9
89.02316	22.7
92.17250	1.0
93.03364	2.3
95.01276	1.9
99.00758	1.3
101.02324	16.4
109.02873	0.9
113.02335	10.3
119.03388	7.7
121.02838	1.0
125.02322	3.3
125.05962	1.1
131.03397	1.2
137.05942	1.1
143.03368	1.9
149.04436	1.7
151.03896	1.4
158.53810	0.9
161.04463	4.1
170.14699	1.0
173.04442	3.5
179.05521	3.0
193.12265	2.0
205.12263	1.4
216.86435	1.1
241.14404	6.8
345.96960	1.0
373.18707	1.4
403.19724	100.0
404.20050	12.9
409.27304	1.2
463.08829	1.5
463.22195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.4
57.12526	0.7
59.01253	61.3
60.01606	0.9
61.98687	1.0
69.20857	7.5
71.01254	16.3
72.99200	1.0
73.02828	2.5
75.00754	0.9
78.54636	0.8
79.00630	0.7
83.01274	2.2
85.02813	4.7
86.57191	0.9
87.00771	1.2
89.02316	15.8
93.03359	1.2
93.80490	0.8
95.01288	1.4
101.02322	14.1
113.02340	6.3
119.03410	5.8
128.02763	0.8
131.46065	0.8
137.05963	1.3
149.83553	0.9
161.04463	2.3
170.58725	0.8
173.04471	1.4
179.05524	1.0
191.05525	1.0
193.12308	2.4
200.20601	0.8
223.13335	1.6
241.14435	3.4
278.43967	1.0
301.06747	0.9
356.56677	0.9
399.69424	0.8
403.19711	100.0
404.20078	12.3
459.85941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.0
57.03344	1.3
58.00471	1.4
59.01252	53.0
60.01579	1.0
61.98693	3.1
64.24607	0.7
71.01254	22.1
71.04900	1.0
72.99181	1.9
73.02818	8.6
75.00749	4.7
83.01241	4.5
85.02816	9.6
86.57204	0.8
87.00767	1.3
87.04397	1.2
89.02332	9.1
93.03320	1.2
95.01276	1.2
95.63460	0.8
97.02837	1.1
99.00753	3.5
101.02320	16.4
109.02859	1.1
111.00777	1.3
111.04457	1.0
113.02337	8.7
119.03370	3.6
123.04382	1.4
125.02379	2.5
127.02641	0.7
134.03615	1.0
135.04387	2.1
137.02351	1.7
146.06010	0.9
150.03166	1.2
151.00378	1.3
155.10631	0.8
161.04500	3.5
173.04468	3.3
179.05632	1.4
191.05559	3.0
193.04936	1.4
209.11742	2.4
241.07326	1.8
271.02582	1.4
300.02664	1.4
301.03445	2.0
301.74298	1.0
373.14008	3.1
403.19699	100.0
404.20084	12.6
419.15454	1.3
427.63519	0.8
463.21689	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51167	2.6
59.01252	53.5
60.18050	2.9
62.28838	2.8
71.01253	30.7
73.02821	4.9
83.01235	3.7
85.02832	7.4
87.00777	4.4
89.02317	23.6
93.03336	3.8
95.33976	3.3
98.19792	9.0
101.02341	16.5
111.80897	2.8
113.02339	12.1
119.03384	13.1
125.02303	3.5
161.04449	4.4
173.04517	5.2
175.02388	10.2
179.05559	9.1
191.05550	6.7
193.12285	7.5
205.12697	3.2
229.32355	2.9
241.14465	4.6
301.03387	3.9
327.04959	3.3
370.04916	3.5
403.19708	100.0
404.20227	10.2
455.03424	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	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08228	0.3
57.03319	0.9
59.01254	1.8
62.85539	0.2
70.44054	0.9
72.62008	0.3
78.95777	7.2
83.04845	0.4
104.97398	0.3
107.01283	0.6
108.02083	0.4
110.98424	5.9
113.09616	2.5
121.02824	0.4
125.02266	0.4
135.00900	0.4
151.00258	1.6
163.00266	0.6
167.01074	2.7
178.99789	1.0
179.14352	1.1
181.12312	0.3
185.02151	6.0
192.00464	0.3
195.13838	16.3
196.14180	0.9
199.03923	0.4
209.11789	0.5
226.02547	0.4
227.03413	0.5
241.14323	0.3
243.03067	2.0
251.23558	0.5
254.02280	0.4
255.02989	3.8
256.03360	0.7
259.20642	0.4
271.02472	9.9
272.02856	1.2
277.21719	15.2
278.22141	1.4
293.21152	0.4
295.22775	100.0
296.23105	10.9
300.02737	13.9
301.03461	8.9
302.03873	0.8
345.82056	0.4
463.02084	0.4
463.08847	10.4
463.24649	17.9
464.09244	1.6
464.24884	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
57.53287	0.3
59.01246	2.2
63.67551	0.4
66.05467	0.3
71.00281	0.6
71.01265	0.5
71.31637	0.3
72.47131	0.3
78.95770	7.6
110.98412	5.4
113.08934	0.3
113.09590	2.0
131.23172	0.4
151.00291	1.9
163.00339	0.4
167.01059	2.6
177.12842	0.5
178.99666	0.4
179.14290	1.4
185.02135	6.0
195.13838	16.5
196.14214	1.2
202.54465	0.3
209.69942	0.4
226.02589	0.4
227.03328	0.3
243.02921	1.9
251.23694	0.4
255.02988	3.4
271.02475	8.9
272.02856	0.6
277.21710	14.4
278.21988	1.6
289.52011	0.3
295.22772	100.0
296.23129	10.4
300.02756	12.2
300.06183	0.8
301.03458	8.0
302.03891	0.6
463.08841	8.5
463.24643	19.0
464.09076	1.4
464.24945	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.8
61.98704	100.0
66.53852	0.5
69.31203	0.5
69.55752	0.5
71.01249	1.9
73.02863	0.6
78.49587	0.4
78.95773	0.6
85.02814	0.8
89.02361	0.5
101.02328	1.2
113.02330	1.7
135.80710	0.5
161.04510	1.1
183.39702	0.5
201.99329	0.5
271.02557	1.2
272.02890	2.2
300.02890	1.4
301.03336	4.1
302.03799	1.6
315.18069	1.3
348.13239	0.5
405.28812	0.6
464.09241	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	465.1025
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
56.62622	2.1
57.03315	8.5
59.01242	8.6
62.40174	2.1
65.00181	3.6
67.49785	1.6
71.01252	4.0
71.51572	4.0
71.78071	1.8
83.01260	6.0
85.02809	4.5
89.02371	1.6
90.26645	1.8
93.03316	3.2
95.01261	2.5
96.95853	2.4
97.02856	2.3
98.13848	1.9
107.01279	5.1
109.02862	6.2
117.24420	1.6
121.02853	3.5
123.04413	8.5
124.01569	3.0
125.02342	100.0
126.02682	2.9
135.04320	2.0
137.02345	5.6
139.03925	5.0
147.04420	2.2
149.02351	12.0
151.00269	30.2
151.03827	3.3
152.01021	5.8
153.01834	29.8
163.00294	2.8
165.01871	2.6
166.02501	2.2
173.04503	6.8
175.00284	5.0
175.03943	10.8
176.04259	2.0
177.01860	18.4
178.99788	21.5
179.03336	2.4
181.01337	10.3
188.04762	2.7
189.05490	3.1
191.03510	3.6
191.05525	10.8
195.02998	2.5
196.03082	1.9
199.03967	6.0
201.02039	2.6
213.05460	2.4
217.05029	5.4
241.04985	5.7
255.03931	2.0
256.03839	2.5
259.06201	3.5
273.05154	6.0
275.05573	20.7
285.04050	56.2
286.04343	4.3
291.06161	2.8
299.05600	5.9
303.05118	78.8
303.08609	6.3
304.05444	8.2
327.05151	2.5
341.05130	5.5
343.06635	5.4
355.18256	1.9
447.09241	3.8
465.10339	3.2
466.10995	2.7
468.08371	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.104
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
52.69370	0.8
57.03097	0.9
57.03328	11.4
59.01258	10.2
61.43068	0.8
61.98717	5.7
63.02246	1.0
64.06524	0.8
64.22756	0.8
65.00195	2.9
71.01263	2.6
71.07002	1.0
71.07332	1.6
73.02844	0.8
75.00748	2.0
81.03309	1.5
83.01259	5.4
85.02820	2.5
87.00735	0.9
87.88522	0.8
89.02322	1.5
93.03330	3.4
95.01257	1.7
101.02306	1.6
107.01282	4.2
109.02866	4.3
111.00777	1.2
121.02847	2.4
122.03620	2.0
123.04395	6.5
124.01535	5.3
125.02341	100.0
126.02627	3.6
135.04376	1.6
137.02321	4.7
139.00256	1.0
139.03906	3.3
143.04984	1.2
147.04453	1.8
149.02371	6.6
150.03122	4.1
150.99149	1.2
151.00281	17.1
151.03915	6.7
152.01068	10.2
153.01817	12.9
155.10638	1.6
161.02321	1.3
161.05981	1.3
163.03902	1.2
165.01868	1.5
169.01280	1.9
171.04388	1.1
173.04453	4.2
173.05750	1.6
174.03081	3.9
175.03934	21.0
176.04207	0.9
177.01872	27.5
178.99805	16.0
179.03371	2.0
179.05637	1.2
181.01344	2.0
188.04677	3.2
189.05479	5.8
191.05501	3.7
197.06055	1.3
199.03960	8.8
200.04379	1.1
201.01854	2.5
203.06992	1.2
213.05551	2.1
215.03415	1.0
216.04251	1.8
217.05028	13.6
218.05269	1.1
229.04915	1.4
231.06619	2.4
240.04265	0.8
241.05042	9.4
242.05334	1.1
243.02872	2.1
257.04498	2.5
259.06110	6.6
273.07434	0.8
275.05658	6.7
285.04059	82.6
286.04382	9.5
291.08881	0.9
302.04044	0.9
303.05130	78.7
303.08542	5.8
304.05508	7.7
310.69885	1.0
321.15582	1.5
346.39847	0.9
404.39194	0.8
405.21301	1.8
433.84290	0.9
447.09235	1.9
465.10263	58.4
466.10669	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	465.1038
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03321	8.4
59.01256	9.4
61.98702	4.9
65.00182	4.6
65.50095	1.3
71.01254	3.0
71.52276	1.8
82.93225	1.2
83.01250	5.1
85.02830	2.5
88.39314	1.3
89.02309	3.6
93.03326	1.7
96.73745	1.1
101.02281	1.5
107.01288	5.8
109.02814	5.0
111.00792	1.6
121.02841	2.2
122.85438	1.2
123.04408	8.3
124.01524	2.3
125.02332	90.3
126.02612	1.9
135.04425	1.9
137.02330	2.2
139.03865	3.8
147.04401	2.2
149.02353	9.0
149.78769	1.2
150.03038	2.3
151.00272	25.6
151.03888	4.2
152.01003	3.0
153.01837	19.6
161.02307	2.3
163.00285	6.6
164.01074	1.5
174.03076	2.3
175.03899	14.6
176.01042	6.1
177.01852	25.2
178.99792	15.7
179.03346	1.3
180.00133	1.3
181.01318	1.2
185.05933	1.4
188.04790	1.5
189.05438	3.4
191.05576	2.5
199.03960	9.0
201.01764	2.3
210.05386	1.2
211.03903	1.4
213.05571	2.5
215.03442	1.7
217.05009	8.2
228.86028	1.2
241.04951	5.4
241.94121	1.2
243.02953	2.0
257.04471	2.9
259.06082	3.6
267.03110	1.3
275.05618	8.4
276.06067	1.9
284.03207	2.3
285.04041	100.0
286.04282	8.0
303.05093	93.1
303.08441	3.6
304.05325	9.1
338.77737	1.4
341.05066	5.5
360.01443	1.5
405.21170	5.5
447.09381	2.1
465.10193	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1399
Annotation	CHEBI:68328
Peak:m/z	Relative Intensity
52.00597	0.6
55.55342	0.5
57.03322	0.7
59.01252	3.1
61.98702	1.0
70.90500	0.8
70.90836	1.0
71.01257	1.1
81.03312	0.6
83.01225	0.6
85.02820	0.6
89.02334	1.0
89.30402	0.5
93.03338	1.8
95.01275	0.7
95.04894	3.4
108.02057	0.8
109.02840	13.2
110.03125	0.6
113.02295	0.6
119.04888	0.5
121.02848	0.9
122.03648	1.2
123.04409	44.9
124.01546	8.1
124.04753	2.1
125.02309	2.4
127.27188	0.7
135.04416	2.3
136.01559	1.9
137.02313	2.3
139.03909	23.6
140.04236	0.8
145.02844	2.4
149.02228	0.5
150.03093	0.8
151.03914	12.0
152.04308	0.8
153.18050	0.5
161.02335	1.3
163.00272	2.3
163.03926	8.4
164.01067	8.6
165.01753	1.2
173.04485	1.4
178.02640	2.4
179.03419	27.7
180.03888	1.2
191.05548	1.4
193.04974	1.6
195.06651	0.8
210.31715	0.5
243.06564	0.7
271.06143	5.5
285.04056	0.6
294.44452	0.6
303.08734	100.0
304.09064	11.4
306.30127	0.7
347.35114	0.6
405.20889	2.0
465.13873	7.0
466.14502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1401
Annotation	Symplocoside
Peak:m/z	Relative Intensity
57.03320	3.0
59.01254	8.6
61.98711	2.3
65.00176	1.0
68.47813	0.9
69.03344	1.4
71.01248	3.0
71.53306	1.1
72.27122	1.0
73.02802	1.1
75.00730	2.2
81.03291	1.0
85.02831	2.2
85.05861	1.1
89.02330	2.4
93.03350	3.4
95.01263	1.1
95.04905	4.0
97.02896	1.1
101.02317	3.8
105.03348	1.1
108.02066	1.6
109.02843	13.8
111.00769	1.1
111.04383	1.2
113.02319	1.6
121.02840	1.1
122.03632	2.4
122.06023	1.8
123.04411	50.1
124.01559	9.1
124.04765	3.2
125.02345	17.7
135.04398	4.5
136.01514	2.2
137.02356	4.2
139.03915	27.0
140.04227	1.0
145.02875	3.3
149.02367	2.6
150.03125	2.4
151.00255	3.2
151.03929	18.4
152.01067	1.6
153.01855	1.9
155.10693	2.0
161.02399	2.1
163.00285	3.2
163.03923	10.9
164.01056	9.5
164.04362	1.3
165.01772	1.7
168.39479	1.0
173.04503	6.0
175.03954	3.9
177.01881	5.1
178.02634	4.1
178.99869	1.8
179.03424	33.8
180.03851	2.1
191.05545	2.4
193.04996	2.9
199.03955	1.1
199.09691	2.4
203.07100	1.7
213.21262	1.0
215.03571	1.4
217.04938	2.4
241.04955	2.4
257.04440	1.3
259.06207	1.6
259.11993	1.7
271.06104	7.5
285.04041	12.1
303.05133	11.4
303.08694	100.0
304.05594	2.2
304.09012	12.6
440.60541	1.1
465.09253	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	465.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01594	1.0
61.98698	1.3
67.01743	0.6
69.03328	1.2
71.01257	2.6
72.99191	0.4
73.02833	0.9
83.01263	0.5
85.02849	0.9
87.00753	0.5
89.02332	1.0
90.98476	1.1
93.03361	1.0
97.02822	0.5
101.02351	1.7
104.92094	0.4
107.04910	1.1
108.02050	1.1
109.02818	3.5
111.04442	0.5
113.02348	0.9
119.03441	0.4
119.04935	1.2
121.02853	1.0
122.02302	0.4
123.04416	1.6
125.02316	0.5
133.02887	0.8
135.04401	1.0
137.02332	0.5
150.03108	0.7
151.00288	0.7
151.03918	5.8
159.08067	0.7
161.02316	0.5
165.04247	0.4
165.05510	2.4
173.04475	1.5
177.01909	0.8
181.06519	0.6
183.06552	2.2
185.00771	0.5
191.05507	0.7
199.07620	0.8
203.07074	6.8
203.08835	0.5
231.10269	1.0
235.37593	0.5
255.02795	0.5
256.70938	0.4
271.02679	0.8
272.02924	0.8
273.02954	0.7
275.09085	2.2
300.02725	1.0
301.03516	4.5
302.03470	2.9
303.21838	0.6
311.12628	0.5
315.19727	0.5
327.05252	0.6
336.10114	1.7
337.10852	0.7
341.06357	0.8
351.12439	2.8
352.12878	0.5
355.11871	0.5
369.13507	5.8
370.13669	1.0
373.13254	0.5
387.14499	1.3
405.15573	1.9
435.79150	0.5
465.08621	2.5
465.18225	0.6
465.27008	4.0
466.25012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.3
57.03325	0.6
59.01253	5.5
61.98706	1.4
69.03349	0.8
69.20885	1.2
69.21292	2.9
71.01253	3.0
73.02824	3.3
75.00749	2.2
83.01258	0.7
85.02805	2.3
87.00738	1.0
89.02325	2.4
89.02820	0.5
91.28855	0.4
93.03340	1.8
95.01260	0.5
96.13406	0.4
97.02837	0.7
98.20580	0.9
101.02331	2.5
108.02042	2.0
108.22023	0.4
109.02837	6.4
109.87247	0.5
111.14849	0.4
113.02330	1.0
119.03388	1.0
121.02843	0.4
123.00748	0.5
123.04420	1.1
125.02322	1.6
129.01843	0.8
134.03702	0.6
135.04378	0.7
135.08089	0.8
137.02353	0.9
137.09633	5.5
147.02884	2.6
149.02448	0.5
149.05991	0.7
151.00311	2.2
151.03918	1.2
152.01079	3.0
153.00798	0.6
153.01862	5.9
155.10684	100.0
156.11035	5.5
159.06573	0.6
161.02390	0.5
161.04442	0.7
167.03407	0.9
173.04468	4.5
174.04793	0.5
177.01831	0.8
181.08603	0.6
191.05534	5.1
199.09697	50.4
199.52742	0.4
200.10045	4.1
217.01445	0.6
229.08580	1.0
231.05843	0.4
247.09793	0.9
257.03943	0.5
271.02463	1.8
272.02747	1.0
273.03052	1.1
273.48856	0.4
291.08685	0.8
300.02908	2.2
301.03275	2.2
301.06769	0.8
302.03455	4.0
302.07339	0.9
303.04083	2.1
303.07803	1.8
310.05573	0.4
311.08087	0.6
315.68646	0.4
317.16037	24.9
318.16397	2.2
333.15515	18.3
334.15961	1.6
347.17239	0.6
405.21027	0.5
465.09906	10.7
465.19833	26.5
466.10507	1.5
466.20053	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03331	1.1
59.01253	100.0
60.01590	1.3
61.98702	0.7
69.03345	0.7
69.49559	2.4
69.49967	0.9
71.01261	5.4
72.99178	0.8
73.02821	3.1
75.00750	0.8
78.95788	0.9
81.03352	0.6
83.01287	1.3
85.02820	7.7
87.00749	6.3
89.02316	1.2
93.03326	0.6
95.01272	0.5
95.04916	0.4
97.02842	0.8
97.06489	0.6
99.00766	1.5
101.02322	4.9
109.02862	0.7
113.02339	4.4
115.03881	0.5
123.03651	0.4
123.04377	2.0
125.02375	1.0
125.05956	2.4
127.11230	0.6
131.03474	0.5
135.04453	0.4
141.05505	0.8
143.03371	0.6
153.05510	0.5
161.04517	1.5
169.04987	1.1
173.04514	0.6
185.23747	0.4
217.16063	1.1
273.02991	0.5
291.18149	3.7
301.03287	0.6
302.03537	0.5
303.03854	0.8
331.17441	2.0
405.21384	7.0
406.21585	0.8
423.22363	7.4
424.22913	0.9
465.09552	1.6
465.27655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.3
57.03313	7.3
57.43739	1.8
59.01257	16.1
63.21836	1.6
67.01743	1.8
68.99676	7.1
71.01254	34.1
71.50018	2.4
72.99172	16.3
73.02816	4.7
75.00757	8.8
75.02452	6.6
75.19990	1.7
83.01263	23.7
84.99187	2.9
85.00876	7.4
85.02825	5.7
87.00760	9.6
88.98660	5.1
89.02309	2.5
93.03325	2.4
96.95875	11.9
99.00760	31.0
99.02470	2.6
100.98689	2.7
101.02303	6.6
103.00214	3.3
109.02840	2.8
111.00767	31.2
112.98696	95.7
113.99009	4.4
114.98335	3.2
115.00259	11.4
115.01959	3.7
117.01811	9.2
124.98675	3.5
127.00255	3.8
127.01992	3.2
128.03410	16.2
129.01852	13.5
129.03436	1.9
135.04428	2.0
142.99771	19.5
143.01457	4.1
145.01335	86.3
146.01657	4.7
149.04529	2.1
154.99806	1.8
157.01332	5.7
171.01013	9.4
173.00827	20.4
181.04936	4.0
187.02287	2.9
189.05469	1.6
199.00491	4.2
203.03529	2.5
205.03432	5.9
231.03104	12.8
245.04724	5.0
263.05814	48.7
264.06241	2.2
273.04321	1.6
330.54129	1.5
333.06323	4.2
337.09216	1.8
346.62128	1.8
347.08032	1.9
348.23975	2.0
365.08875	5.3
391.06757	5.4
409.08026	3.8
451.09012	9.1
469.10010	100.0
470.10403	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	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
57.07701	0.8
59.01253	100.0
60.01610	1.1
61.67243	0.8
61.98688	1.3
64.89304	1.1
68.92403	0.8
69.03325	4.5
71.01251	12.4
71.52018	1.0
71.52451	1.3
72.99182	1.1
73.02818	7.5
76.50660	0.8
83.01285	2.7
85.02847	5.0
87.00777	1.2
89.02325	3.1
93.03374	1.3
97.02843	2.7
97.06432	1.0
99.00747	1.7
99.04401	5.3
101.02327	8.6
103.03876	1.6
109.02818	1.0
111.04417	0.9
113.02318	5.9
119.03426	1.2
125.02326	3.0
135.04440	0.9
135.11682	4.3
137.02396	1.2
148.05174	1.9
155.03508	1.1
155.10799	1.1
159.08076	1.2
161.04439	2.0
161.09650	2.9
163.07524	2.2
173.04462	2.4
179.10704	29.9
180.11089	2.0
185.00838	3.0
191.05551	1.2
203.10812	1.1
223.09720	12.7
223.13329	2.5
265.10818	0.9
267.16083	4.5
332.08536	0.9
471.22562	3.0
471.34961	8.3
472.35254	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24412	1.6
56.31028	1.4
57.03316	5.5
59.01250	100.0
61.98701	2.9
69.03336	2.4
71.01253	14.2
73.02827	10.6
83.01238	3.6
85.02816	3.4
89.02315	4.8
90.39440	1.6
93.03294	2.2
97.02816	2.0
98.19794	4.7
99.04375	2.5
101.02317	9.9
103.03883	6.0
107.04890	2.5
109.02828	2.0
113.02360	7.4
115.00254	1.7
122.02313	3.9
125.02324	5.4
133.02780	2.0
135.04410	2.4
135.11667	4.4
140.10696	1.6
143.03445	1.9
155.10654	2.5
161.04425	2.2
161.09613	9.2
173.04532	3.1
179.03479	2.0
179.10698	20.4
180.11060	1.9
180.24626	1.5
184.34216	1.5
185.00861	2.0
187.11168	2.6
203.10776	1.9
223.09714	28.7
223.13300	6.9
224.10062	2.4
249.11287	1.7
267.12308	2.4
471.22928	1.7
471.34692	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
59.01249	100.0
64.00720	1.9
70.90891	4.1
70.91215	2.2
71.01246	15.6
73.02811	8.2
75.44495	1.9
83.01239	2.7
85.02833	2.9
89.02322	2.4
99.00775	2.4
101.02322	9.1
113.02319	4.9
116.66720	1.9
123.08064	2.1
125.02310	2.4
126.58210	1.9
135.04408	2.4
138.06746	4.6
143.03371	2.2
151.06007	1.9
151.07541	5.4
152.08336	10.4
153.09109	23.5
153.18257	1.9
173.04463	4.0
191.05516	2.3
191.38771	1.8
200.82063	2.0
205.12262	7.3
223.13382	4.3
367.17645	4.4
405.15143	2.3
471.34964	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	473.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.9
59.91188	0.9
69.67729	5.2
71.01247	2.8
73.02817	1.5
87.00748	1.4
89.02316	13.8
93.03330	0.9
98.19897	1.6
103.48865	0.9
107.04889	1.2
117.03317	0.9
122.21783	0.9
131.03355	2.9
131.10721	0.7
133.02808	3.6
134.03583	2.8
135.04413	100.0
136.04732	4.7
145.70305	0.9
149.04453	27.5
149.05652	1.6
160.01613	0.9
161.02350	18.7
162.02853	0.8
173.04433	1.3
179.03410	76.2
180.03795	4.7
274.75958	0.9
277.07990	0.9
311.07681	1.9
323.04166	1.6
323.07718	19.8
324.08002	1.7
341.08765	32.9
342.09012	2.9
473.12985	17.6
474.13257	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14738	0.8
59.01252	7.4
71.01257	5.2
73.02821	4.0
87.00737	1.5
89.02327	17.1
101.02314	2.3
117.03331	1.5
125.02358	1.1
131.03407	5.2
132.02032	1.1
133.02867	5.2
134.03639	2.0
135.04414	92.0
136.04715	4.9
139.04063	0.9
149.04460	39.2
160.01485	1.6
161.02356	26.9
162.02660	1.4
173.04424	1.6
179.03427	100.0
180.03767	8.0
188.71509	0.9
191.05484	1.9
214.25017	0.8
223.06064	1.7
311.07758	3.3
323.07687	17.3
324.07941	1.8
337.33075	0.9
341.08765	49.0
342.09109	4.8
378.73773	0.9
473.12869	11.0
474.13501	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81494	0.6
56.26774	0.6
59.01251	100.0
60.01599	0.7
61.98708	1.5
69.79194	1.8
69.79604	2.1
93.17567	0.7
97.16402	0.6
98.20570	0.9
122.38202	0.7
125.72295	0.8
132.54529	0.7
142.56989	0.6
157.25850	0.6
243.62648	0.7
472.34949	0.9
473.35721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92594	0.6
55.01757	1.0
57.03316	1.7
59.01251	100.0
60.01595	2.0
69.03321	4.3
69.23058	5.6
71.01252	6.2
73.02821	1.3
75.18934	0.6
83.01273	0.8
84.02934	0.6
85.02835	2.7
87.04414	1.4
89.02315	2.6
93.03327	0.8
97.02851	0.7
97.06453	0.8
99.00774	1.8
99.08018	1.6
101.02326	4.0
105.03385	0.8
111.04420	1.9
111.08058	0.6
113.02339	2.8
115.07580	1.6
119.03432	0.9
119.04916	4.4
123.08060	0.7
125.02371	1.3
125.09629	0.9
131.12689	0.6
135.04460	1.3
149.02376	1.3
149.04541	0.9
155.10794	2.1
161.04492	1.6
165.01866	0.7
167.10756	0.9
173.04495	1.5
176.01057	0.7
185.00876	2.7
210.03175	3.3
216.13654	1.0
217.14432	1.7
238.02666	1.8
239.41954	0.6
253.04987	6.2
268.04572	0.9
268.07379	5.6
269.05545	0.8
269.08154	4.8
343.24866	10.8
344.25348	1.4
353.19916	1.5
371.16385	0.8
371.20801	1.0
376.16104	0.9
387.23929	1.5
413.21680	1.0
429.25153	3.5
474.23444	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12981	0.3
55.01752	1.5
57.03321	0.4
59.01252	100.0
60.01597	1.1
61.34953	0.3
62.63291	0.3
69.03339	0.6
69.17883	3.7
70.54262	0.4
71.01257	3.5
72.28319	0.4
73.02821	1.7
75.00784	0.4
83.01272	0.7
83.80696	0.3
85.02834	1.1
85.63799	0.4
87.00764	0.6
89.02321	1.4
93.03349	0.6
95.01287	0.4
98.93421	0.3
101.02312	2.0
111.04460	0.5
113.02341	1.6
119.03362	0.5
121.58340	0.3
135.04430	0.4
137.02307	0.3
137.09653	0.4
149.04520	0.4
151.37329	0.3
154.99789	5.0
155.03415	0.3
155.10698	3.9
161.04541	0.6
173.04489	0.8
179.03505	0.5
185.00943	0.4
191.05481	0.4
199.09682	2.8
206.20670	0.3
251.12950	0.8
299.90958	0.3
317.12595	0.6
317.16043	0.4
353.08759	0.4
413.22229	0.6
473.23489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43779	0.5
59.01250	100.0
60.01590	1.3
61.75784	0.5
61.98733	0.5
64.55492	0.4
65.61288	0.6
69.03346	0.6
71.01257	2.0
71.39754	1.0
73.02821	0.9
85.02826	1.6
100.06271	0.5
101.02351	2.0
105.86314	0.5
106.19325	0.6
113.02351	1.0
125.02432	0.5
130.20930	0.5
180.06554	0.5
257.05582	0.6
299.72363	0.5
353.19547	0.7
371.20819	2.7
413.22247	1.2
473.24295	0.9
474.31509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03320	1.1
58.00468	0.9
59.01251	100.0
60.01585	1.1
62.21396	0.5
69.03328	1.0
69.51617	2.8
71.01257	8.8
72.99165	0.7
73.02816	4.2
73.71187	0.6
75.00752	0.9
82.20752	0.7
83.01273	1.6
85.02824	4.7
87.00773	1.2
89.02331	3.4
93.03365	0.8
95.01269	1.1
97.02818	0.8
99.00788	1.1
101.02320	6.5
112.28168	0.6
113.02339	4.7
118.20464	0.6
119.03388	1.5
125.02415	0.9
137.02260	0.7
143.03415	1.0
155.10667	1.1
161.04382	1.3
173.04546	1.3
179.07104	1.0
179.10710	0.9
189.12740	1.2
211.13504	0.6
240.29346	0.6
249.06219	0.8
311.07791	0.6
355.17615	8.8
356.18066	1.3
373.18683	7.0
374.19141	0.7
397.18561	1.5
413.22513	0.8
415.19760	4.3
429.17737	1.8
462.74213	0.6
473.16452	1.5
473.24292	0.8
474.17502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
59.01250	100.0
60.01588	1.3
61.58395	0.2
64.16858	0.2
69.03326	0.5
71.01250	2.3
72.99210	0.3
73.02829	1.2
83.01257	0.3
85.02840	0.7
87.62827	0.2
89.02322	0.8
93.03316	0.3
97.02849	0.3
99.00784	0.4
101.02353	1.3
104.44545	0.2
111.04404	0.4
113.02332	0.8
115.07535	1.0
115.97375	0.2
119.03384	0.3
121.02859	0.2
123.04443	0.3
123.08121	0.2
125.02334	0.7
149.04259	0.2
161.04460	0.5
163.11194	0.2
166.80026	0.2
173.04474	0.5
179.03476	0.3
181.12225	0.4
185.00908	0.5
197.05943	0.3
211.03955	6.0
212.04277	0.5
213.05472	0.6
225.11299	0.4
229.49411	0.2
239.03470	6.0
240.04111	1.1
241.04900	0.4
254.05836	0.6
268.03748	3.6
269.04495	2.6
269.08109	1.1
309.16077	0.2
413.21759	0.5
468.10559	0.2
473.10846	6.7
473.23788	1.6
474.11072	1.0
474.22873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
62.96267	0.2
65.95335	0.1
67.46734	0.1
69.03362	0.1
71.01253	0.4
78.95778	14.0
96.96853	0.6
113.57622	0.1
119.86963	0.2
122.00018	0.2
127.07580	0.3
140.01086	2.6
152.99489	2.0
171.00545	0.9
196.03728	1.4
214.04817	3.3
233.22760	0.4
259.20642	0.3
275.20032	0.4
277.21713	100.0
278.22058	12.0
377.16083	0.2
457.25958	0.5
474.26239	11.2
475.26642	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
66.18229	0.4
68.38860	0.4
71.39671	0.7
73.98416	0.4
78.95777	94.7
84.58219	0.4
96.96837	6.3
106.75541	0.4
122.00027	0.9
140.01089	7.1
152.99484	13.3
158.14722	0.4
171.00548	12.8
172.00974	0.5
196.03737	13.5
197.04027	0.6
214.04869	3.2
233.22652	0.5
259.20670	0.6
275.20142	0.7
277.21719	100.0
278.22058	11.6
400.22250	1.2
474.26254	60.7
475.26550	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	475.1245
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03314	1.0
59.01253	37.1
61.98698	0.6
62.56161	0.5
65.00182	4.4
68.99706	0.6
69.03329	2.1
71.01257	14.0
71.52347	0.5
72.99175	0.8
73.02441	0.7
73.02824	7.9
75.00741	0.6
79.01778	0.9
81.03330	3.0
83.01265	5.0
85.02837	3.9
87.00769	1.1
89.02311	5.4
93.03333	6.9
95.01266	1.9
95.04889	0.7
97.02837	5.1
99.00774	0.7
99.04373	1.6
101.02335	11.1
105.03345	1.4
107.01272	4.2
107.04918	0.6
108.99243	0.5
109.02845	1.8
111.00702	0.6
111.04387	0.9
113.01643	0.7
113.02342	6.5
117.03332	0.7
119.03423	1.6
119.04920	35.3
120.05256	2.1
121.02844	5.2
123.00778	1.7
123.04433	1.2
125.02349	13.4
126.02668	1.0
131.03432	1.2
133.02861	1.2
134.03630	0.7
135.00783	0.9
135.04431	2.1
136.01607	0.6
137.02364	3.2
143.03395	1.3
143.04955	3.8
145.01822	0.4
145.02831	3.3
147.04390	0.9
149.02351	5.1
149.04460	2.1
150.99130	1.0
151.00285	11.1
151.03932	1.0
155.03410	1.3
155.10715	0.9
161.02396	1.1
161.04485	3.3
161.05981	1.3
163.00294	5.0
163.03947	1.3
163.11243	0.6
164.01045	1.4
165.01849	8.2
167.03439	2.6
169.01262	0.5
171.08092	0.4
173.04465	1.3
175.00264	0.5
175.03816	0.7
177.01851	2.6
179.03406	2.8
185.05954	1.8
187.03954	2.9
190.99850	1.0
191.03447	1.4
191.05498	1.1
191.14388	0.8
193.01372	22.8
194.01698	1.2
197.04489	0.8
199.07704	1.2
199.09660	0.8
203.07159	0.8
205.01300	1.6
205.08612	1.0
207.02924	1.3
219.02931	2.6
223.02420	2.7
227.07074	1.8
231.02713	0.6
241.08745	0.7
253.08670	1.4
253.14455	6.4
254.14729	0.8
255.10271	1.7
269.08203	2.1
271.06094	10.1
272.06540	1.1
283.06213	1.9
296.79684	0.5
300.02615	0.9
313.07181	100.0
313.14435	4.9
314.07532	10.7
321.76718	0.5
325.07266	1.4
343.08212	28.0
344.08432	3.6
355.08182	1.4
370.13470	0.5
378.81708	0.5
397.09381	2.1
415.10303	1.5
415.23645	1.3
433.24396	0.6
458.23376	0.6
475.12561	6.1
475.18301	1.0
476.12955	1.9
476.25150	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1246
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
59.01250	4.7
61.98708	0.2
63.02271	2.7
65.00195	6.9
69.37685	1.6
71.01258	1.4
73.02803	0.5
81.03339	0.2
83.01252	4.7
85.02800	0.4
87.00737	0.2
88.98708	0.5
89.02315	0.5
91.01713	0.2
93.03334	7.8
93.30060	0.2
94.03655	0.4
101.02339	1.1
107.01272	13.4
108.01539	0.4
108.02178	0.3
109.02806	0.3
113.02330	0.5
119.04917	36.6
120.05249	1.6
121.02825	0.6
125.02343	1.5
131.01318	0.5
133.02869	0.3
136.01564	0.5
137.02303	0.4
145.02826	0.5
149.02327	0.4
151.00279	40.7
152.00603	1.5
161.05995	0.3
164.01079	0.6
165.01830	2.0
169.01346	1.6
173.04553	0.2
175.00363	0.9
177.01862	5.6
178.02177	0.4
185.06049	0.7
187.03973	0.4
191.01341	0.2
193.01384	0.6
195.04468	0.5
196.00093	0.3
223.03984	0.3
227.07037	0.6
229.05051	0.2
238.06409	0.7
239.38005	0.2
253.08635	0.8
270.05103	0.2
271.06116	100.0
272.06454	10.2
272.09485	0.3
295.06046	0.5
313.07144	2.0
313.87027	0.2
314.07578	0.2
415.10287	0.3
415.23398	0.4
475.12283	0.6
475.24637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13157	0.1
57.03324	0.1
59.01252	8.5
67.01747	0.1
69.03320	0.2
71.01257	1.2
73.02792	0.4
83.01254	0.1
83.04906	0.3
85.02814	0.5
87.00739	0.1
89.02295	0.3
95.01260	2.0
97.02823	0.3
99.00784	0.2
101.02323	0.8
107.01262	0.5
108.02068	0.2
111.00763	0.1
113.02309	0.4
121.02847	0.3
122.03584	0.2
123.00729	0.2
123.04385	0.3
133.02850	1.9
133.58463	0.1
137.05984	0.2
138.03085	0.3
145.06453	0.1
150.65935	0.1
153.12761	0.3
167.06027	0.2
169.06525	0.1
171.04437	0.2
173.05933	0.2
179.10626	0.1
181.04976	0.3
185.05875	0.2
195.04417	0.2
196.05151	0.5
197.06012	2.3
197.11694	0.3
198.03233	0.2
199.03917	1.2
203.07101	0.2
209.07191	0.1
209.15388	0.2
211.03954	0.2
211.07455	0.1
212.04611	0.7
213.05521	1.7
214.06210	0.2
223.03996	0.3
224.04744	0.4
225.05457	0.4
226.02669	0.1
227.07117	0.4
227.16495	1.0
228.07884	5.4
229.08253	0.5
229.62672	0.1
235.08276	0.3
238.06363	0.8
239.03415	0.1
239.07013	0.4
240.04253	7.7
241.05020	11.4
242.05350	0.9
243.10109	0.2
253.08736	0.7
253.18045	0.2
254.05920	0.3
255.06609	18.3
256.07330	9.6
257.07770	0.8
269.08075	0.2
271.09747	100.0
272.10089	9.7
354.12521	0.2
355.11569	0.2
415.14020	1.9
415.23032	0.7
416.13354	0.2
433.24274	1.3
475.16953	0.8
475.25357	3.6
476.16739	0.2
476.25720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03317	0.9
58.00467	1.1
59.01253	26.7
59.94812	0.5
71.01256	14.0
71.06953	1.2
72.99169	1.5
73.02811	2.6
83.01260	1.3
85.02826	3.4
87.00758	2.6
89.02316	8.3
92.04930	0.7
93.03353	1.1
95.01250	1.0
96.07602	0.5
101.02326	8.6
101.69018	0.5
104.04944	2.4
106.06515	1.8
109.47816	0.5
110.97762	0.6
113.02342	4.3
119.03397	1.7
122.05990	0.6
125.02328	0.7
134.06015	22.6
135.04404	0.8
135.06354	1.0
148.03958	28.2
149.04333	1.7
152.07042	0.9
155.10686	4.9
160.03967	8.8
161.04482	1.4
173.04489	1.2
174.05531	6.0
191.05525	1.2
199.09706	3.6
263.79422	0.6
267.11383	8.1
268.11444	0.8
271.06149	1.3
279.07684	0.7
295.10886	35.9
296.11151	3.6
297.04114	0.8
313.07242	1.6
314.12192	0.6
384.67670	0.6
447.17773	2.1
475.17218	100.0
476.17575	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03319	2.0
58.00479	1.4
59.01252	100.0
60.01589	1.1
60.99168	0.5
65.00206	1.1
68.72492	0.4
69.03337	6.0
69.51594	0.7
69.51994	3.0
71.01254	26.7
71.04889	0.6
72.01597	0.5
72.99186	1.4
73.02824	9.8
75.00768	0.7
80.88444	0.5
81.03367	0.7
83.01255	4.0
85.02824	8.7
87.00765	1.9
87.04387	3.3
88.98692	0.5
89.02317	13.3
89.02837	0.8
90.02703	0.5
93.03362	1.4
95.01269	3.9
95.04893	0.6
97.02839	2.6
99.00762	2.8
101.02322	15.4
107.01356	0.4
113.02336	21.7
113.05985	0.9
114.02702	0.5
119.03404	5.2
119.04890	5.5
121.02845	0.6
125.02345	2.4
129.70631	0.5
131.03339	1.0
133.02821	0.4
141.01837	0.7
143.03439	1.5
149.02356	0.9
151.00325	1.4
155.10632	1.1
159.03017	0.7
161.04454	8.1
164.00679	0.6
165.01805	1.3
177.01746	0.6
179.05598	2.3
185.00883	3.0
187.04008	0.8
188.07249	0.5
189.01912	0.6
193.01384	2.5
199.09734	0.8
203.01859	0.5
205.01341	0.6
205.98517	0.6
210.11423	0.4
255.06660	0.8
270.09137	0.9
271.06128	0.7
271.19250	1.9
275.11472	0.7
300.02872	0.9
312.99960	0.9
313.03622	0.7
313.07190	12.1
314.07660	1.3
325.07272	0.7
327.18231	0.5
343.08356	2.2
345.19138	0.6
346.03564	0.6
366.02768	0.5
397.09720	0.7
415.10657	1.3
415.23407	16.6
416.23926	1.9
427.13748	0.6
433.24481	9.2
434.24957	1.4
475.13483	0.7
475.25552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03319	2.0
58.00479	1.4
59.01252	100.0
60.01589	1.1
60.99168	0.5
65.00206	1.1
68.72492	0.4
69.03337	6.0
69.51594	0.7
69.51994	3.0
71.01254	26.7
71.04889	0.6
72.01597	0.5
72.99186	1.4
73.02824	9.8
75.00768	0.7
80.88444	0.5
81.03367	0.7
83.01255	4.0
85.02824	8.7
87.00765	1.9
87.04387	3.3
88.98692	0.5
89.02317	13.3
89.02837	0.8
90.02703	0.5
93.03362	1.4
95.01269	3.9
95.04893	0.6
97.02839	2.6
99.00762	2.8
101.02322	15.4
107.01356	0.4
113.02336	21.7
113.05985	0.9
114.02702	0.5
119.03404	5.2
119.04890	5.5
121.02845	0.6
125.02345	2.4
129.70631	0.5
131.03339	1.0
133.02821	0.4
141.01837	0.7
143.03439	1.5
149.02356	0.9
151.00325	1.4
155.10632	1.1
159.03017	0.7
161.04454	8.1
164.00679	0.6
165.01805	1.3
177.01746	0.6
179.05598	2.3
185.00883	3.0
187.04008	0.8
188.07249	0.5
189.01912	0.6
193.01384	2.5
199.09734	0.8
203.01859	0.5
205.01341	0.6
205.98517	0.6
210.11423	0.4
255.06660	0.8
270.09137	0.9
271.06128	0.7
271.19250	1.9
275.11472	0.7
300.02872	0.9
312.99960	0.9
313.03622	0.7
313.07190	12.1
314.07660	1.3
325.07272	0.7
327.18231	0.5
343.08356	2.2
345.19138	0.6
346.03564	0.6
366.02768	0.5
397.09720	0.7
415.10657	1.3
415.23407	16.6
416.23926	1.9
427.13748	0.6
433.24481	9.2
434.24957	1.4
475.13483	0.7
475.25552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36417	0.3
58.00459	0.4
59.01252	100.0
60.01582	1.5
69.31978	0.9
69.32394	2.1
69.39935	0.3
71.01258	4.1
72.99184	0.9
73.02831	1.3
83.04897	0.5
85.02816	1.7
87.00780	0.5
89.02322	2.5
89.03822	0.4
95.01277	0.4
98.19817	0.5
99.92439	0.3
101.02328	2.6
106.06531	1.0
108.08074	2.4
111.78017	0.3
112.15070	0.3
113.02336	2.1
115.91993	0.7
116.92735	2.4
117.03410	1.0
118.97928	0.5
119.03377	0.3
125.02390	0.4
134.06085	0.6
135.04420	0.5
148.03955	4.7
152.07153	0.7
155.10767	0.4
160.03954	2.7
161.04712	4.3
162.05515	0.5
179.05539	0.4
192.02950	0.4
193.03714	1.9
195.13800	1.8
211.03922	0.8
212.04741	4.4
213.05241	0.6
227.07048	2.4
239.03551	0.6
240.04237	2.7
241.05072	3.3
242.11876	0.4
253.05190	0.9
254.05867	0.5
255.06602	21.7
256.07202	4.1
267.11365	0.9
269.08286	0.8
269.12955	8.1
270.08987	12.3
270.13513	0.9
271.06485	0.8
271.09662	8.3
271.19141	0.3
272.10004	0.6
295.10904	7.2
296.11032	1.0
302.10315	0.6
312.02615	0.4
313.11935	7.5
314.12405	1.0
330.90729	0.4
355.13013	1.2
373.22220	0.5
415.14258	0.4
415.23465	0.4
431.36841	0.4
433.24136	0.4
475.17276	12.7
475.23975	1.4
475.29843	0.6
476.17566	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.3
59.01251	100.0
60.01577	1.3
64.90249	0.3
69.03350	0.3
70.67397	0.6
71.01250	2.8
72.99181	0.2
73.02837	0.9
85.02831	1.1
87.00747	0.7
89.02324	1.1
93.03379	0.4
99.04451	0.3
99.50989	0.2
101.02309	1.9
109.02866	0.4
113.02332	1.2
116.88103	0.3
119.03423	0.5
135.04451	0.3
155.10712	1.1
161.04500	0.6
191.05545	0.5
199.09729	0.9
239.65167	0.2
253.04802	0.3
270.04715	0.2
271.06219	0.8
280.90656	0.2
285.54443	0.2
307.72824	0.3
331.14182	0.8
339.09210	0.2
357.13510	0.7
369.13367	0.4
373.22507	0.4
415.23532	0.9
498.35703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.6
69.34060	0.7
69.34470	1.4
72.57022	0.2
78.95776	31.8
82.44398	0.3
84.55183	0.2
89.96066	0.2
96.96845	0.7
98.29179	0.2
122.00018	0.9
123.53902	0.3
140.00026	0.5
140.01077	6.1
143.79042	0.2
152.99510	3.0
171.00574	1.2
196.03738	12.8
197.04071	0.3
205.57939	0.3
214.04779	3.0
230.95703	0.3
232.66917	0.3
232.80150	0.3
261.22305	0.7
279.23282	100.0
280.23630	12.8
280.26773	0.5
476.27805	29.4
477.28107	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	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
56.77083	0.1
59.01246	0.4
78.95776	8.5
96.96826	0.2
98.86730	0.1
120.87480	0.1
128.20387	0.1
140.01083	2.0
152.99510	1.2
171.00534	0.5
196.03728	1.3
214.04810	2.7
218.69148	0.2
229.70975	0.1
261.22302	0.4
279.23282	100.0
280.23621	10.1
282.64072	0.2
292.74649	0.2
318.85355	0.1
476.27832	9.1
477.28421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.3
62.96270	0.3
67.92585	0.3
76.67426	0.3
78.95778	100.0
83.81638	0.2
90.47886	0.2
96.96845	8.2
114.96882	0.2
123.70834	0.2
140.01106	1.0
143.12000	0.3
150.97908	0.3
152.99493	16.0
171.00560	17.8
172.00909	0.5
196.03778	0.7
214.04805	0.6
271.02441	0.4
279.23294	6.5
280.23608	0.6
284.73843	0.3
299.01920	0.4
314.04413	0.4
402.24142	2.1
403.24612	0.5
410.52405	0.3
476.27826	54.5
477.10199	0.5
477.28149	8.3
483.97495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02320	0.6
69.50504	3.5
97.23595	0.5
107.01261	1.3
124.26078	0.6
151.00301	1.9
171.04442	0.6
199.03981	2.9
215.03439	1.7
227.03548	2.8
243.02994	4.1
255.02882	0.6
266.66141	0.6
270.01706	0.9
271.02481	47.1
272.02853	4.3
285.04077	1.4
299.01971	100.0
300.02487	15.0
314.04327	20.1
315.04904	4.8
357.06244	0.9
378.52054	0.5
449.11087	0.9
477.10376	89.1
478.10666	13.7
497.18652	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	477.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
63.02282	0.3
63.75425	0.1
65.00208	0.4
69.28180	0.6
69.28613	0.8
83.01260	0.4
86.93821	0.1
101.02264	0.1
107.01273	0.9
109.02834	0.2
124.01564	0.2
124.98786	0.1
125.02326	0.6
129.39571	0.1
133.02898	0.2
133.81644	0.1
137.02364	0.2
143.04942	0.2
145.02939	0.2
147.04411	0.2
148.01610	0.3
151.00285	2.9
153.01866	0.3
157.02898	0.3
159.04489	0.2
160.08195	0.1
163.00276	0.3
164.01068	0.2
169.01462	0.2
171.04408	0.8
173.02275	0.3
175.03955	0.5
178.99811	0.7
183.04451	0.3
187.03964	0.5
189.01889	0.4
197.02361	0.4
198.03154	0.2
199.03938	4.8
200.04321	0.5
201.01883	1.6
202.02402	0.2
203.03476	0.9
204.04169	0.4
205.04965	0.2
213.02000	0.2
214.02585	0.2
215.03452	3.9
216.03809	0.4
223.41966	0.1
225.01921	0.5
226.02701	0.8
227.03448	4.3
228.03925	0.5
229.01385	0.6
241.01399	0.3
241.05151	0.2
242.00285	0.2
242.02176	10.8
243.02962	44.9
244.01001	0.1
244.03305	3.7
253.01389	0.3
255.02931	1.1
255.05356	0.2
257.04544	11.9
258.04944	1.3
270.01703	12.6
271.02472	44.9
272.02835	4.1
275.32471	0.2
283.02023	0.2
285.04050	23.5
286.04739	8.5
287.05176	0.8
299.01974	9.0
300.02686	5.4
300.06143	0.3
301.03165	0.5
313.03638	0.4
314.04315	47.0
315.04959	11.5
316.05466	0.8
330.04517	0.2
342.03613	0.2
357.06058	1.1
373.61194	0.2
462.08228	0.2
477.10376	100.0
478.10727	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
58.00480	0.8
59.01252	55.4
60.16795	0.6
61.24804	0.5
61.86973	0.6
61.98679	1.5
66.32368	0.8
69.03306	1.6
70.84590	1.7
71.01255	34.7
72.99168	2.0
73.02824	25.3
74.98954	0.8
75.35916	0.7
83.01264	7.9
85.02827	8.5
87.00758	1.5
88.21207	0.7
89.02323	12.1
93.03332	1.5
95.01260	3.4
97.02820	1.6
99.00745	1.7
101.02329	23.6
102.02639	0.7
107.01268	1.1
107.04904	2.1
108.02055	1.1
109.02810	2.7
113.02333	17.5
118.97983	6.3
119.03386	3.2
119.41690	0.6
121.02846	10.3
122.03600	2.5
125.02293	1.6
131.03404	2.1
136.01451	0.7
137.02325	2.0
139.03918	0.9
143.03380	1.8
147.00706	0.7
149.02359	0.9
149.04512	0.8
151.00249	1.2
151.03902	4.2
155.03407	1.0
155.10632	0.8
161.04518	3.1
165.01848	13.5
166.02148	0.9
171.04375	1.3
173.04443	1.9
179.03395	0.8
179.05602	0.7
193.01334	2.1
197.05971	0.8
199.03864	2.8
201.01823	1.2
215.03407	2.7
218.50493	0.6
224.04727	3.9
225.05461	2.9
226.02620	1.2
226.05960	1.0
227.03461	3.6
239.07013	2.4
240.07887	3.3
242.02354	1.1
243.02953	8.2
243.06619	4.6
244.03342	0.8
254.02197	2.4
255.02980	2.6
255.10254	20.1
256.10666	2.1
257.04626	0.9
257.08072	0.9
258.09015	6.9
269.04636	2.0
270.01605	1.4
271.02469	67.3
272.02921	6.4
272.10556	2.5
273.11313	27.4
273.20679	1.7
274.11707	2.8
285.04059	4.7
286.04944	1.0
287.05576	1.5
299.01956	100.0
300.02505	18.5
314.04315	88.0
315.05063	67.2
315.08917	1.7
315.21649	1.0
316.05383	7.2
357.06232	0.7
390.22336	0.8
417.15610	1.8
417.25226	0.9
435.26001	2.9
477.10385	88.3
477.26578	9.5
478.10669	14.2
478.27594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04209	0.4
59.01253	8.7
61.98711	0.6
63.95279	0.4
70.55367	1.4
71.01266	1.7
73.02834	0.4
83.01250	0.7
83.26264	0.4
85.02869	0.8
89.02345	0.7
101.02350	1.1
102.29125	0.4
108.02099	1.2
113.02355	1.2
118.98008	1.1
120.99548	5.1
121.02845	1.9
122.03647	0.4
136.01573	2.1
137.02370	0.7
145.06525	0.6
151.03922	2.4
157.06502	0.5
161.04433	0.6
169.06450	0.7
171.04506	0.4
171.08075	4.2
173.06035	1.2
176.91550	0.4
183.10298	0.4
187.07625	0.5
197.06024	9.0
198.06445	0.9
199.07536	5.8
200.04692	1.2
200.07924	0.6
201.05466	2.7
213.05716	0.5
214.06279	2.2
215.07083	9.8
216.07387	0.9
224.04770	1.4
225.05524	28.9
226.06024	3.7
227.71777	0.5
229.13315	0.5
242.05707	0.4
243.06593	66.4
244.06943	6.3
249.54503	0.4
258.08954	75.6
259.09305	6.4
271.02490	1.3
271.09769	1.9
273.11316	100.0
274.11630	10.6
291.12405	0.6
299.01947	1.3
300.02692	0.5
314.04385	1.3
315.08640	0.5
389.10846	0.7
417.15573	1.2
477.10300	2.0
477.30276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.2
61.98716	0.5
62.25574	0.2
66.35194	0.3
69.29050	2.2
70.87562	0.3
71.01254	1.5
72.00725	0.2
73.02805	0.4
85.02831	1.1
89.02334	0.7
93.03359	0.6
94.44920	0.2
101.02336	1.1
107.04935	0.5
108.02046	0.5
113.02326	0.6
118.98005	0.3
136.01540	2.0
137.02394	0.4
145.06493	0.3
151.03938	1.5
157.06479	0.5
164.18611	0.3
169.06483	0.8
171.04445	0.4
171.08064	3.7
173.04472	1.5
173.06004	0.9
174.04799	0.7
181.06448	0.6
187.03946	0.4
187.07607	0.5
197.04204	0.6
197.06013	9.5
198.06398	0.6
199.07584	5.3
200.04662	1.3
200.07851	0.5
201.05524	3.4
213.05547	0.5
214.06265	2.1
215.07088	9.6
216.07347	0.5
224.04700	1.9
225.05521	30.7
226.05969	3.6
241.04951	0.3
241.61665	0.3
242.05644	0.4
243.06598	63.5
244.06929	6.1
257.08121	0.3
258.08957	73.5
259.09290	7.4
271.02414	0.4
273.11319	100.0
274.08701	0.5
274.11673	9.3
291.12314	0.6
294.45547	0.3
299.02002	0.7
314.04297	0.3
339.12891	0.3
341.53326	0.3
387.10965	0.3
402.13571	0.4
417.15533	3.7
418.15512	0.3
429.54379	0.3
435.16599	0.5
477.10532	0.8
477.17499	0.5
477.30505	0.7
478.17749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55021	0.1
51.64244	0.1
59.01251	4.4
61.98701	0.2
62.81762	0.1
67.01752	0.2
68.36765	0.1
68.99677	0.1
69.84435	0.7
71.01260	1.1
73.02823	0.4
79.71049	0.1
83.01268	0.3
85.02836	0.8
87.00750	0.2
89.02327	0.4
93.03337	9.1
94.03661	0.4
95.01263	0.3
101.02322	0.6
107.04879	0.3
108.02056	1.5
109.02827	0.4
109.84204	0.1
111.00795	0.1
113.02327	0.5
118.97973	0.3
121.02846	100.0
122.03625	3.7
123.00813	0.2
125.02348	0.4
134.03629	0.2
135.04462	0.6
136.01567	0.2
136.05266	0.4
137.02364	0.9
138.06027	0.1
145.02902	0.2
145.04958	0.2
147.04370	0.2
149.02362	0.4
150.03127	1.1
151.03912	1.8
151.07542	1.5
153.01851	0.4
161.04489	0.5
161.43593	0.1
162.03151	0.2
163.03877	0.1
176.04698	0.2
195.06561	0.5
199.03906	0.2
226.07594	0.2
229.08501	0.2
235.09680	0.2
242.05797	0.2
243.03003	0.3
255.06784	0.1
255.10146	0.3
256.07480	0.2
257.08078	0.4
258.08963	2.5
259.09631	0.5
271.02432	0.6
271.09763	0.9
272.10550	31.1
273.11307	91.4
274.11667	9.2
285.11310	0.5
287.09216	0.9
287.12500	0.2
297.11386	0.6
299.01987	0.4
299.12964	0.3
305.10376	0.9
314.04514	0.3
315.12454	2.1
316.12607	0.3
327.12320	1.0
328.12631	0.2
341.13763	0.1
348.48132	0.1
417.15540	1.0
417.24918	0.3
435.16605	0.3
477.10034	0.7
477.27234	0.4
478.18250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
58.00480	0.8
59.01252	55.4
60.16795	0.6
61.24804	0.5
61.86973	0.6
61.98679	1.5
66.32368	0.8
69.03306	1.6
70.84590	1.7
71.01255	34.7
72.99168	2.0
73.02824	25.3
74.98954	0.8
75.35916	0.7
83.01264	7.9
85.02827	8.5
87.00758	1.5
88.21207	0.7
89.02323	12.1
93.03332	1.5
95.01260	3.4
97.02820	1.6
99.00745	1.7
101.02329	23.6
102.02639	0.7
107.01268	1.1
107.04904	2.1
108.02055	1.1
109.02810	2.7
113.02333	17.5
118.97983	6.3
119.03386	3.2
119.41690	0.6
121.02846	10.3
122.03600	2.5
125.02293	1.6
131.03404	2.1
136.01451	0.7
137.02325	2.0
139.03918	0.9
143.03380	1.8
147.00706	0.7
149.02359	0.9
149.04512	0.8
151.00249	1.2
151.03902	4.2
155.03407	1.0
155.10632	0.8
161.04518	3.1
165.01848	13.5
166.02148	0.9
171.04375	1.3
173.04443	1.9
179.03395	0.8
179.05602	0.7
193.01334	2.1
197.05971	0.8
199.03864	2.8
201.01823	1.2
215.03407	2.7
218.50493	0.6
224.04727	3.9
225.05461	2.9
226.02620	1.2
226.05960	1.0
227.03461	3.6
239.07013	2.4
240.07887	3.3
242.02354	1.1
243.02953	8.2
243.06619	4.6
244.03342	0.8
254.02197	2.4
255.02980	2.6
255.10254	20.1
256.10666	2.1
257.04626	0.9
257.08072	0.9
258.09015	6.9
269.04636	2.0
270.01605	1.4
271.02469	67.3
272.02921	6.4
272.10556	2.5
273.11313	27.4
273.20679	1.7
274.11707	2.8
285.04059	4.7
286.04944	1.0
287.05576	1.5
299.01956	100.0
300.02505	18.5
314.04315	88.0
315.05063	67.2
315.08917	1.7
315.21649	1.0
316.05383	7.2
357.06232	0.7
390.22336	0.8
417.15610	1.8
417.25226	0.9
435.26001	2.9
477.10385	88.3
477.26578	9.5
478.10669	14.2
478.27594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
58.00470	0.2
59.01250	23.4
60.01591	0.3
65.03831	1.8
71.01257	1.6
71.06724	0.4
72.79935	0.2
73.02827	0.7
79.05403	1.6
83.01255	0.3
85.02830	0.6
89.02308	1.0
91.32246	0.2
93.03316	0.3
95.01300	0.2
99.00757	0.2
101.02297	0.9
107.04907	100.0
108.05234	4.0
113.02348	0.6
119.03374	0.3
121.02840	1.8
122.03632	2.4
123.00764	0.7
124.01544	0.3
125.02377	0.3
135.04375	0.2
136.01582	0.2
137.02373	0.8
137.05910	0.2
151.00264	1.8
151.03899	0.6
152.01031	0.2
153.01846	1.7
154.02571	0.4
154.28404	0.2
161.04396	0.3
165.05322	0.2
166.02625	1.8
167.03282	0.3
173.04515	0.3
182.02130	0.2
185.11696	0.2
199.04034	0.2
226.10637	0.2
229.06445	0.3
229.08664	4.8
229.10919	0.3
230.09000	0.4
242.02141	0.2
243.02956	0.5
255.06718	0.4
257.04544	0.3
271.02563	1.2
273.07788	2.5
273.11304	25.7
274.08545	0.3
274.11624	2.7
285.03964	0.3
299.01993	1.4
300.02289	0.4
314.04184	0.9
315.04886	0.3
315.12360	0.6
315.21744	0.4
477.14850	5.2
477.26889	2.3
478.14590	1.1
478.27393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39041	0.4
57.03054	0.6
57.03325	9.8
58.00457	0.4
59.01253	16.8
61.98693	1.9
65.00165	0.5
69.03328	1.2
71.00904	0.6
71.01257	7.8
71.53018	0.5
72.99173	0.9
73.02812	1.6
75.00732	0.7
81.03349	2.2
83.01260	4.5
83.04893	0.4
85.02835	3.4
87.00745	1.3
88.98708	0.4
89.02322	3.6
93.03329	2.2
95.01254	1.6
95.04883	2.2
97.02837	6.1
97.21001	0.4
99.00735	1.1
99.04400	7.4
101.02330	6.3
102.02679	0.6
107.04897	1.1
108.02079	0.6
109.02840	17.3
111.00739	0.8
111.04456	0.6
113.02332	3.7
116.04977	4.2
119.03374	1.8
119.04885	0.7
121.02856	3.3
122.03623	0.8
123.00777	1.0
123.04410	13.0
124.01512	0.6
125.01447	0.9
125.02338	13.1
133.02861	0.6
135.04449	2.8
137.02353	8.4
137.05981	0.5
138.03008	0.5
139.03891	3.7
143.03334	0.5
145.02826	1.6
146.03598	1.1
147.04366	1.3
149.02354	5.8
149.04401	0.9
149.05937	0.8
150.03078	0.5
151.00259	1.0
151.03917	8.3
152.00677	0.5
153.01866	0.6
155.10657	0.7
156.08124	0.9
157.50914	0.5
159.04420	2.0
160.05234	1.1
161.02409	3.1
161.04501	1.4
161.05986	4.8
162.03096	1.5
162.04393	0.5
163.00320	0.5
163.03918	1.6
164.01099	2.7
165.01854	4.4
165.05437	0.8
167.03403	2.2
168.08063	2.1
173.04536	1.0
173.05904	0.5
175.03914	2.8
175.07561	1.6
177.01778	1.2
177.05450	0.9
179.02011	0.7
179.03433	6.6
185.05994	0.8
187.03954	4.4
188.04710	3.3
189.05469	0.5
189.39757	0.4
191.03372	0.7
191.05518	0.7
199.04002	0.5
201.01843	0.6
201.05396	1.0
202.06224	1.5
203.03372	0.8
203.07066	10.8
205.05005	8.3
212.04799	0.7
213.05443	0.5
217.05072	0.8
221.08199	2.2
224.04739	0.6
225.05336	0.8
225.30426	0.5
227.03444	0.8
227.07076	1.5
229.05014	0.9
230.05806	0.9
231.02887	0.6
239.03529	0.9
241.05096	0.6
243.02911	1.4
244.03258	1.0
244.06972	0.5
245.08163	14.0
246.08534	0.6
247.06102	2.3
251.03561	0.8
255.03018	1.0
257.04446	1.4
267.03024	1.4
269.04562	0.8
271.02405	3.0
271.05960	0.6
272.02887	2.5
272.06445	0.7
273.12335	0.7
279.02878	0.8
280.03748	1.0
282.01749	0.7
284.03119	0.6
285.04059	7.3
289.07181	100.0
290.07520	9.3
295.02451	1.5
296.03458	0.8
297.04120	0.8
299.01947	1.7
300.02417	3.3
301.03110	1.9
313.07156	0.6
314.04333	0.6
315.04791	1.3
315.21814	1.1
316.02142	1.1
316.05490	1.3
316.13943	0.5
316.22119	0.6
328.69772	0.5
331.08282	3.9
361.09351	6.4
362.09695	0.9
429.06277	1.3
446.06253	0.7
447.07156	9.2
478.10675	4.4
478.15591	2.4
478.26993	1.6
479.08542	1.3
479.15979	0.7
479.22604	0.7
479.28952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.2
65.20676	0.2
71.24101	0.4
72.09594	0.1
78.95310	0.3
78.95777	6.6
96.96914	0.2
122.00031	0.2
123.85605	0.2
140.01088	1.7
152.99478	1.1
171.00566	0.3
175.90137	0.2
189.60286	0.2
196.03748	1.2
211.13358	0.3
214.04842	2.5
245.04285	0.8
251.20114	0.8
281.24854	100.0
282.25208	11.9
282.28510	0.2
306.95557	0.2
346.31171	0.2
478.29407	8.6
479.29767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
62.96267	0.5
74.10499	0.3
78.95776	100.0
86.73856	0.3
96.13250	0.3
96.96841	8.2
98.19758	0.5
128.42899	0.3
152.99487	18.8
153.04243	0.3
171.00558	19.1
187.17487	0.3
310.23648	0.3
404.25705	1.6
478.29376	60.2
479.29767	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	479.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
63.02266	0.5
65.00189	2.4
67.01782	0.7
68.99680	0.6
70.01531	0.6
70.01863	2.0
71.01246	1.5
73.02837	0.7
83.01269	1.5
84.35731	0.4
85.02837	0.5
89.02359	0.5
95.01264	1.7
95.25436	0.5
97.02863	0.9
99.00773	1.0
101.02335	1.1
107.01287	3.0
108.02044	0.9
109.02859	3.6
109.99989	6.0
111.00792	3.3
113.02317	0.9
115.61447	0.4
119.01241	0.5
121.02863	1.0
123.00764	3.9
124.01582	2.3
125.02332	2.1
133.02899	0.8
135.00786	1.3
136.98712	1.9
137.02319	1.6
137.09596	1.7
137.54291	0.5
137.99483	2.3
139.00279	6.9
139.03885	0.5
141.01830	0.5
143.04897	0.9
146.03664	0.6
148.01555	1.6
149.02361	1.8
151.00281	8.5
151.03777	0.5
152.01077	5.8
153.01808	1.6
154.02234	0.5
155.10681	13.7
157.02701	0.4
158.03653	0.6
159.04425	1.7
161.02351	1.7
163.00288	3.4
164.01089	2.4
165.01874	0.5
165.98991	5.7
166.99762	4.6
169.01385	0.8
170.03609	0.5
171.04425	2.1
172.05095	0.6
173.02464	0.8
174.03101	1.2
175.00287	0.7
175.03932	1.3
178.99786	7.2
181.01346	1.0
183.04491	1.2
185.02359	0.6
186.03128	0.8
187.03905	2.7
188.04558	1.0
189.01901	1.8
189.05507	0.8
190.02577	0.9
191.03433	0.7
192.00529	0.7
193.01424	0.8
193.98611	0.6
194.99265	0.5
197.02406	0.9
198.03151	1.9
199.03934	4.1
199.09700	10.5
200.04517	1.2
200.09975	0.9
201.01964	2.1
201.05548	0.7
203.03468	2.8
206.99219	0.9
208.00121	0.8
213.02046	1.1
214.02647	3.6
215.03445	3.7
216.04062	1.7
217.01404	1.3
217.04924	0.6
219.02927	0.9
225.01978	0.6
226.02664	1.2
227.03464	6.3
228.03882	0.8
229.01447	1.3
229.04726	0.6
230.02130	0.8
231.02972	3.5
232.03630	1.1
241.01421	0.9
242.02151	4.0
243.02924	9.7
244.03493	1.7
245.00940	0.7
245.04468	1.2
254.02115	0.7
255.03020	4.5
256.03537	0.6
257.00919	0.5
259.02438	4.1
260.03006	1.7
261.03879	0.6
269.00702	0.6
270.01682	5.9
271.02469	32.2
272.03064	6.9
273.04053	5.6
274.04443	0.6
286.98761	0.6
287.01974	17.1
288.02664	9.5
289.03424	1.5
298.01230	1.8
299.01962	20.5
299.05386	1.0
300.02408	2.8
301.03494	0.6
311.07803	0.6
315.01300	1.6
316.02209	52.8
317.02966	35.9
317.12381	5.0
318.03445	3.3
343.06729	1.2
357.13187	0.5
389.14438	1.1
435.09485	1.0
460.25235	0.4
461.07465	1.4
462.07697	0.6
479.08286	100.0
479.17419	2.8
479.17514	2.8
480.08652	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	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
58.00463	0.6
58.96346	0.5
59.00783	0.6
59.01250	14.3
61.71632	0.6
63.02272	1.8
65.00198	5.5
66.89461	0.5
67.01748	1.0
68.99699	1.2
71.01256	5.8
71.53617	0.9
72.99185	0.7
73.02817	3.8
75.00713	0.5
81.03310	0.8
83.01268	4.4
83.38869	0.6
85.02821	2.6
87.04424	0.9
89.02320	1.7
91.01777	0.6
93.03352	5.5
95.01256	3.7
97.02859	1.1
99.00768	1.4
101.02330	2.6
107.01274	5.3
108.02078	1.3
109.02845	2.4
109.99972	1.6
111.00764	10.9
112.92931	0.6
113.02335	3.5
117.03351	3.1
119.03337	0.9
119.04960	0.7
120.99319	0.7
121.02834	1.6
123.00768	3.9
123.04439	1.3
124.01582	1.4
124.98726	0.7
125.02353	4.6
129.03320	0.6
131.04919	1.1
132.02074	1.0
133.02855	1.7
135.00775	1.7
135.04420	2.1
135.08058	1.3
136.98654	1.7
137.02376	4.8
137.09636	8.6
139.00282	12.0
141.01804	1.3
143.04916	3.5
145.02831	4.2
145.06531	0.9
147.04413	1.2
149.02257	1.4
149.99509	1.9
151.00275	16.0
151.03920	1.5
152.01056	3.5
153.01836	2.6
153.09106	1.0
154.99738	1.1
155.04948	2.5
155.10684	100.0
156.11002	4.4
157.02841	1.4
159.04446	3.7
161.02368	2.4
161.05948	1.0
163.00281	3.1
164.01062	2.8
164.98186	1.7
165.01843	2.6
165.98988	1.7
166.99747	3.0
168.00533	1.7
169.01344	1.9
171.04424	6.1
172.04826	0.9
173.02354	2.0
174.03143	2.5
175.03911	1.4
177.01834	0.9
177.99026	2.0
178.99786	12.9
179.03360	0.9
181.01360	1.2
181.08682	0.9
183.04370	2.9
185.02373	0.9
186.03178	0.8
187.03954	6.5
188.04677	1.8
189.01878	2.3
189.05466	1.8
190.02574	0.6
190.99760	1.3
191.03371	0.7
192.00545	3.0
193.01303	1.7
194.99330	1.4
199.03946	6.1
199.09697	46.9
200.10039	1.6
201.01912	1.7
201.05489	1.6
203.03461	2.2
205.01360	1.2
206.99287	1.8
208.00026	1.4
209.00742	1.7
211.03922	1.2
213.01883	1.3
213.11336	0.7
214.02647	2.7
215.03389	6.7
215.05113	0.6
216.04254	3.9
217.01472	1.2
217.05013	13.5
218.05350	0.7
219.02725	0.8
226.02672	1.1
227.03459	6.3
228.03725	0.6
229.01443	0.8
229.04984	1.3
230.02002	0.7
231.02950	5.2
232.03769	2.7
233.04382	0.9
241.01508	1.0
241.10806	1.8
242.02211	4.0
243.02988	11.4
244.03575	2.5
245.00938	0.9
245.04561	2.7
246.01582	0.7
255.02968	7.5
256.03366	1.0
259.02524	11.3
260.02997	2.1
270.01712	6.1
271.02481	43.0
272.03040	6.6
273.04086	6.0
275.09235	0.9
281.00998	0.7
283.02414	1.6
284.03137	1.2
285.04044	3.9
287.02005	16.0
288.02524	3.7
289.03519	2.2
297.04013	1.2
298.01233	1.6
299.01953	42.0
300.02438	5.5
301.03549	2.8
315.01691	0.8
316.02219	38.3
317.02942	22.8
317.06216	0.7
318.03406	1.9
359.06110	1.6
371.06271	0.8
379.10376	7.0
399.67480	0.6
433.07693	1.0
435.09341	1.6
451.08777	2.3
461.07321	2.0
462.07990	1.1
479.08298	88.6
479.20847	49.0
480.08694	11.6
480.21521	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	479.0832
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
59.01240	1.7
65.00179	1.2
67.05569	0.5
69.70741	3.1
71.01251	1.1
71.77263	0.5
73.02784	1.0
83.01253	0.6
89.02324	0.6
93.03333	0.8
107.01278	3.1
108.02049	2.4
109.02844	2.3
111.76006	0.5
121.02851	2.8
122.03621	2.0
123.04370	1.2
124.01563	4.9
125.02356	2.0
135.04454	0.7
136.01585	4.9
137.02361	7.6
137.09607	1.4
138.03160	2.6
139.03943	1.2
148.01570	0.9
150.03117	3.7
151.00287	7.7
151.03914	12.1
152.00989	1.6
152.04431	0.8
155.10687	9.9
161.02318	2.3
163.00227	2.9
164.01089	6.0
165.01869	3.6
165.05487	1.7
169.01335	0.6
171.04384	0.7
177.05479	0.6
178.02652	0.9
178.99802	8.5
179.03380	2.3
181.04852	0.6
185.02480	0.5
188.04636	0.7
191.05524	0.9
192.00603	0.8
199.03911	1.1
199.09682	6.3
203.03505	1.3
204.04323	0.6
214.02667	8.9
215.03398	1.5
227.03481	1.3
231.02835	0.6
241.01479	0.9
242.02200	7.5
242.05746	0.8
243.02876	5.0
244.03558	0.8
259.02484	7.9
260.02884	1.3
267.65244	0.5
270.01685	6.3
270.05289	2.2
271.02478	48.9
272.02866	4.1
278.59030	0.5
285.07681	9.0
286.08124	0.6
287.01981	27.5
288.02411	3.8
299.02005	1.3
302.07462	0.6
315.01596	1.0
316.02225	100.0
317.02847	22.0
317.10110	23.2
318.03253	1.7
318.10519	1.9
479.08304	83.4
480.08633	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	479.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70960	0.8
57.03318	4.5
59.01245	2.9
59.68851	0.9
63.02255	1.2
65.00196	3.2
69.03329	1.4
69.87162	2.5
69.87576	2.6
71.01256	2.9
73.02821	1.5
81.03337	2.5
83.01276	6.1
85.02831	1.7
89.02352	1.4
93.03363	1.2
95.01283	5.8
101.02300	1.3
107.01285	6.8
109.02849	2.8
110.02469	1.1
111.00741	1.9
113.02319	1.4
115.16211	1.0
121.02843	4.4
122.03586	1.4
123.00772	4.0
123.04397	1.8
124.01570	9.5
125.02344	37.1
126.02655	1.3
135.04449	1.0
137.02339	3.6
139.00336	2.2
139.04001	1.9
148.01576	1.3
149.02339	1.6
151.00279	23.6
151.03984	1.4
152.01057	16.4
153.01851	10.1
155.10689	6.8
163.03848	1.3
165.01843	2.9
166.02583	1.6
167.03377	1.6
169.01314	2.4
173.05928	1.5
175.00342	2.5
176.01022	2.8
178.99794	23.0
181.01364	2.9
187.03885	2.0
188.04749	2.2
191.05394	1.4
192.04271	1.2
194.02118	1.4
199.09711	5.0
205.05031	1.5
214.06325	1.5
216.04321	1.1
229.04991	1.4
230.05794	12.2
231.06392	2.8
245.08189	8.1
258.05286	2.3
273.07721	3.5
274.04871	9.8
289.07187	100.0
290.07565	9.8
297.33093	1.0
299.05594	1.9
303.08572	1.7
313.07187	23.5
314.07321	2.4
316.06119	1.4
317.03348	1.2
317.06656	30.8
317.12390	1.9
318.06970	2.9
325.01721	1.1
331.08243	11.1
341.05533	2.0
343.07965	3.0
391.10471	1.0
451.06686	1.9
451.12469	23.7
452.12827	3.0
479.11899	8.4
479.17636	2.0
480.12393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1197
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03318	7.3
59.01246	10.8
63.02272	1.8
65.00194	5.2
69.03317	2.1
70.99784	2.5
71.00130	1.6
71.01246	9.2
71.82678	1.1
72.99169	2.4
73.02811	3.9
75.00739	1.3
81.03313	2.0
83.01263	8.2
85.02839	4.2
87.00738	1.8
89.02317	5.4
93.03333	3.4
95.01262	7.5
97.02801	2.8
99.00751	2.4
101.02319	7.3
107.01288	6.4
108.02126	1.5
109.02824	3.7
111.00765	1.4
111.04393	1.2
113.02309	3.0
118.94323	1.1
121.02839	4.9
123.00781	3.6
123.04425	2.4
124.01534	10.0
125.02343	75.2
126.02663	3.0
135.04419	2.4
136.01563	3.0
137.02324	5.7
137.09628	4.5
139.00281	1.9
139.03925	3.0
148.01509	1.6
149.02397	6.9
149.04457	4.0
150.03111	2.0
151.00273	30.8
151.03934	8.3
152.01051	14.1
153.01863	11.4
153.05519	1.6
155.10686	23.7
158.73651	1.3
161.04414	1.9
161.05865	1.3
163.00331	2.0
164.01077	1.7
165.01836	17.4
169.01326	2.0
173.04477	2.8
176.01088	1.6
178.99788	26.4
179.03423	1.7
180.00117	1.7
181.01402	2.1
187.03851	2.5
191.05501	4.0
193.01389	1.6
199.09686	19.6
203.63383	1.4
207.06612	1.2
209.04488	5.7
210.77785	1.2
213.05397	1.5
213.13901	1.0
227.03358	2.4
228.04196	1.4
229.04993	1.5
230.05768	6.7
231.06558	3.5
241.05145	3.8
243.03024	1.4
245.08165	4.4
256.03738	3.8
256.07431	5.9
257.08209	1.5
258.05383	3.0
271.02399	1.7
271.06009	1.9
273.07590	4.4
274.04733	8.1
284.03275	15.9
285.07709	4.0
289.07175	100.0
290.07547	7.9
299.05609	41.7
300.06000	3.5
313.07269	12.2
314.07504	1.7
317.03195	2.4
317.06726	35.5
317.10297	6.6
317.13068	1.8
318.07062	3.3
331.08286	4.4
341.06506	2.7
343.08429	2.6
347.17261	1.8
419.13733	2.9
436.38846	1.3
451.12503	13.5
452.12701	2.3
453.92218	1.3
479.11948	48.4
479.17538	2.5
479.22073	3.4
480.12112	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	479.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20540	0.5
56.97903	1.7
57.03333	0.5
58.99480	0.7
59.01252	6.5
61.98698	1.7
70.40347	1.1
70.40741	0.9
71.01256	2.5
72.99211	0.8
73.02813	1.4
81.84011	0.5
83.01286	0.8
85.02834	1.0
87.00754	2.5
89.02338	1.4
95.87433	0.6
101.02328	1.2
102.98453	2.5
105.41399	0.6
107.04911	6.9
108.05237	2.7
109.05382	0.6
117.75510	0.5
120.99541	100.0
121.99886	1.2
125.02338	0.6
134.95526	0.5
135.04390	0.9
137.02380	0.6
149.00621	0.8
151.00304	0.6
154.80997	0.5
155.10713	1.5
167.03368	0.6
173.04411	1.9
175.05804	1.1
201.03772	0.7
203.05295	6.0
219.04761	1.0
233.06395	0.6
235.07948	21.4
236.08342	1.5
271.02277	0.7
273.11371	1.3
274.11526	1.1
275.11926	0.8
313.09000	2.6
316.02335	1.0
317.02951	0.8
334.73416	0.7
339.12247	1.3
341.08447	4.1
343.11871	0.7
355.11823	8.1
357.13544	2.7
358.14017	0.7
373.11127	51.0
374.11423	6.1
391.12219	17.8
392.12454	2.2
406.95483	0.7
461.12726	2.4
479.08090	1.3
479.13943	11.5
479.27420	1.6
480.14304	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77555	0.4
59.01244	1.1
68.68912	0.4
71.01262	1.3
72.71364	0.5
73.02823	2.8
75.00753	0.9
79.12051	0.4
85.02824	0.8
87.04383	1.5
98.19814	1.6
99.00761	0.5
101.02313	0.7
113.02324	1.2
117.01868	0.8
135.02844	0.6
135.08044	1.4
137.09625	9.8
155.10684	100.0
156.11008	4.8
169.12218	1.0
181.08621	0.9
199.09692	71.3
200.10042	4.4
213.11154	0.9
241.10875	2.5
299.11282	1.1
317.12393	44.0
318.12735	4.2
359.13428	2.1
361.15002	2.3
419.15701	1.2
479.17673	22.3
480.18158	3.7
483.09885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51276	0.8
57.03301	2.3
59.01258	4.2
69.03315	0.9
71.01250	12.9
71.33062	1.6
72.23154	1.0
73.02814	6.2
75.00743	1.1
81.03316	1.1
83.01216	2.0
85.02824	4.5
87.04353	2.2
89.02306	1.5
92.83881	0.8
93.03341	0.9
95.01218	2.5
97.02795	3.0
99.38071	0.9
101.02328	8.2
107.01270	1.0
109.02757	1.0
113.02320	6.6
117.01796	1.1
120.99187	0.9
124.01510	1.5
125.02335	6.4
131.03363	2.5
135.08005	3.8
137.09621	19.8
138.09914	1.1
139.00200	0.9
139.11153	0.9
143.29106	0.9
151.00224	1.9
152.00955	2.3
155.10680	100.0
156.10992	6.0
161.04488	3.9
164.00934	1.1
169.12170	1.7
173.04478	4.4
174.04712	1.9
175.43123	0.8
178.99773	2.1
181.07109	1.1
181.08583	12.5
182.08994	1.0
199.09692	62.0
200.09985	3.3
213.11171	1.4
217.96503	0.9
241.10826	6.3
242.11044	1.5
247.14894	0.8
253.10754	5.6
258.05185	1.0
271.02362	2.2
271.11768	2.3
273.07672	0.9
289.07043	4.3
299.01642	1.3
305.12372	0.8
316.02252	4.5
316.70398	0.8
317.02740	2.2
317.06442	4.5
317.12424	31.9
318.12613	2.7
359.13278	1.2
361.14929	1.2
367.54660	1.3
389.14523	5.9
390.14893	1.1
461.16037	0.9
467.05219	0.9
479.11548	7.3
479.17569	30.5
480.11972	1.3
480.17920	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	479.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
57.61912	0.9
59.01242	3.9
61.80372	0.8
61.98700	1.9
64.28770	0.9
66.93699	0.8
71.51231	1.3
78.95773	9.9
88.19112	1.0
91.97464	0.9
99.08032	2.7
104.97360	1.1
107.75975	0.8
109.54475	0.9
110.98418	9.0
113.09605	3.0
125.09610	1.0
129.09094	5.8
153.12711	1.9
167.01082	3.4
169.12248	3.5
175.27742	0.9
181.12262	5.0
183.13835	2.0
185.02153	7.4
193.12274	2.7
197.11761	13.2
199.13332	5.9
211.13356	18.7
212.13638	1.2
249.22038	1.0
293.21301	10.9
294.21573	1.8
311.22275	100.0
312.22647	11.1
316.02121	1.0
323.97849	1.0
437.36877	0.9
437.43021	0.9
457.64935	0.9
460.46640	1.0
479.24176	31.2
479.29724	1.2
480.24683	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28671	0.9
57.03317	1.9
57.56200	0.8
59.01242	2.7
63.77884	0.8
67.91710	0.9
69.03314	0.9
71.18139	1.5
78.91756	1.0
78.95776	13.9
83.04877	0.9
99.08009	3.0
110.98418	12.3
111.08057	0.8
113.09608	3.0
129.09108	7.2
138.34421	1.0
151.11189	1.6
167.01083	5.0
167.14326	1.0
169.12260	2.8
171.10132	1.6
181.12282	5.4
183.13820	2.4
185.02113	8.4
193.12320	2.3
197.11774	10.3
199.13342	4.8
201.96155	1.9
211.13330	19.3
212.13728	1.4
265.21854	0.9
267.08737	0.8
275.20203	1.3
293.21201	11.5
294.21591	1.3
311.22272	100.0
312.22623	9.9
313.82791	0.8
479.24118	42.4
479.29599	1.7
480.24316	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35093	0.5
59.01250	100.0
60.01604	1.1
61.98706	0.8
68.66486	0.5
71.01256	0.9
71.51428	0.6
77.81326	0.5
78.57408	0.6
85.02850	0.9
87.04405	6.5
101.02341	0.7
109.02834	1.0
123.04436	0.8
125.78004	0.5
149.43268	0.6
151.07539	0.8
201.54796	0.5
278.57394	0.5
310.27194	0.6
329.17932	0.6
358.71603	0.5
461.29694	0.9
479.08194	0.9
479.20572	3.1
479.29932	4.2
484.69531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01593	1.5
61.98698	0.8
69.26991	0.3
71.01257	1.4
78.95788	0.7
83.01319	0.5
87.00738	0.4
87.04389	4.1
89.02328	0.4
98.19796	1.1
101.02327	0.9
109.02821	0.4
113.02352	0.7
118.31451	0.3
126.94757	0.4
136.05151	0.7
137.02380	0.4
151.07547	2.5
159.96719	0.3
185.24205	0.4
231.81303	0.4
257.11746	1.7
267.92657	0.3
271.02518	0.4
299.02151	0.4
316.02277	0.5
396.88705	0.4
458.49548	0.4
461.29245	1.1
479.09912	0.8
479.20660	0.7
479.30783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52973	0.5
57.03331	0.5
59.01254	37.0
61.28796	0.5
61.31863	0.5
61.98704	100.0
63.81134	0.5
69.03333	0.5
69.12894	0.6
69.63390	1.2
69.63786	3.0
71.01260	5.5
73.02833	1.8
73.59795	0.6
81.51518	0.5
83.01295	0.7
85.02812	4.0
89.02347	1.8
90.37898	0.6
93.03365	1.0
99.00761	0.9
101.02335	3.3
110.55753	0.6
112.03942	0.9
113.02336	2.9
114.52041	0.6
114.58754	0.5
125.02337	1.4
134.03635	3.0
135.04439	1.6
151.00304	0.8
161.04477	2.3
173.04500	3.8
177.02032	0.6
178.99765	0.7
187.07494	0.8
191.05495	3.2
197.56693	0.6
235.47775	0.6
255.03137	0.6
275.09641	0.6
300.02368	0.6
301.03586	3.3
307.11972	3.9
331.17569	5.1
373.18854	1.8
463.49017	0.6
480.17889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84584	0.4
57.98721	0.5
59.01257	4.2
61.98705	100.0
71.01250	0.6
89.30951	0.5
98.20561	1.4
101.02318	0.8
108.63724	0.5
118.86686	0.5
124.25430	0.4
127.76729	0.5
137.02365	1.0
153.37341	0.4
165.01903	0.6
165.09132	0.5
212.63838	0.5
226.86523	0.5
274.03360	0.5
434.11935	0.7
463.30411	0.7
481.16675	0.8
481.32712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
59.01252	0.9
69.86238	1.3
71.01247	1.4
71.04892	7.2
83.01265	2.1
85.02806	0.6
89.02333	1.0
93.03327	0.8
95.04909	2.6
97.02828	12.5
101.02332	0.6
108.02055	0.5
109.02837	17.2
110.03155	0.7
119.04930	0.4
121.02852	0.9
123.42920	0.4
125.02328	0.4
135.04410	0.8
137.02341	2.1
138.03140	0.4
139.03906	100.0
140.04265	4.3
149.04446	0.5
153.01837	35.7
154.02174	1.3
163.03902	3.0
165.01839	12.9
165.03236	0.6
166.02208	0.5
167.72308	0.3
173.04475	0.8
181.04988	1.0
183.02908	1.2
191.05547	0.8
207.02893	0.6
214.86636	0.4
319.08118	0.8
327.07114	3.9
345.08240	44.7
346.08487	4.1
473.01349	0.4
481.09518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.4
59.01250	4.6
60.99172	0.7
61.98699	1.1
62.33356	0.3
65.03815	0.3
67.01762	5.3
69.03334	1.6
69.42859	0.3
71.01253	5.7
72.99176	0.5
73.02819	1.1
81.03342	1.1
83.01263	0.7
83.04904	1.1
85.02822	2.1
87.00752	1.9
89.02319	1.0
93.03337	33.1
94.03661	1.5
95.87136	0.3
97.02803	0.3
97.06476	1.3
98.19809	0.9
99.00776	0.6
99.04386	0.5
101.02319	1.1
107.04935	0.3
108.51129	0.3
109.02853	1.5
111.00748	1.2
111.04405	5.4
113.02343	1.8
121.02786	0.6
123.04385	0.3
123.78008	0.3
125.02390	1.5
129.01875	0.6
133.02840	1.2
134.03639	17.4
135.04520	1.9
137.02344	6.2
138.02815	0.4
145.48596	0.3
155.03413	5.8
155.10742	0.3
161.02319	0.5
161.04588	0.3
161.06047	0.3
165.01898	0.3
171.40614	0.3
173.04474	100.0
174.04805	4.4
177.01817	1.4
178.02643	3.9
179.03384	0.7
187.03902	0.3
191.05519	0.7
196.15367	0.3
199.09895	0.3
222.38759	0.3
223.09842	0.3
229.33417	0.3
231.10222	0.9
273.11398	0.9
275.09286	1.3
289.07318	0.5
289.16595	0.4
307.11877	9.1
308.12155	1.0
312.14377	0.4
319.15454	0.3
336.97461	0.3
397.24689	0.3
421.20865	1.0
449.14667	0.4
481.17200	5.3
481.24628	0.5
482.17346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01502	0.7
70.54066	1.5
74.14915	0.8
74.59480	0.7
76.06799	0.8
77.72228	0.8
78.95773	68.0
96.96846	5.1
105.28485	1.0
148.69913	0.8
150.97952	1.3
152.99490	97.2
153.99832	1.1
170.99223	1.2
171.00577	16.3
171.01968	0.7
172.01041	0.9
227.03226	10.8
245.04285	76.3
246.04617	1.9
248.03082	0.8
253.21701	53.9
254.22072	5.1
389.20950	1.0
432.86545	0.8
481.25723	100.0
482.26102	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87826	0.6
70.86320	0.8
78.95776	35.7
88.86868	0.5
96.96839	2.5
106.05094	0.5
148.55266	0.5
152.99492	50.9
153.99825	1.1
155.40198	0.7
161.41638	0.5
171.00558	14.8
212.85303	0.6
227.03201	2.9
245.04286	100.0
246.04695	4.3
253.21709	60.0
254.22070	5.9
305.46390	0.6
320.64835	0.6
330.07132	0.7
409.09122	0.6
481.25717	36.6
482.26132	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	481.2805
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
55.01756	2.1
55.48821	0.3
57.03326	1.5
58.00467	0.4
59.01252	10.7
59.98381	1.0
61.98694	1.2
64.78322	0.3
69.03318	0.6
71.01253	14.6
72.99175	1.1
73.02821	6.4
83.01261	4.2
85.02826	10.4
85.99972	1.3
86.03178	0.4
87.00731	0.8
89.02304	0.6
93.03336	0.3
95.01254	1.7
97.02857	0.4
97.06467	0.3
97.29607	0.3
99.00758	2.5
99.04394	0.9
101.02322	12.9
111.00719	0.4
113.02336	6.2
114.02639	0.3
125.02333	0.5
129.01840	0.3
131.47629	0.3
143.03384	0.4
159.02916	0.5
161.04434	1.2
217.15912	0.9
217.91817	0.2
219.17523	0.4
273.22128	0.5
319.22769	8.3
320.23047	1.0
367.11584	0.3
403.25015	0.4
481.28040	100.0
482.28372	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
59.01254	0.9
61.98703	100.0
62.98414	0.1
71.01272	0.6
73.02823	0.2
81.03323	0.4
85.02831	0.4
86.19865	0.1
89.02341	0.2
101.02368	0.2
106.84073	0.1
113.02342	0.3
122.03653	0.3
125.02332	1.1
136.05202	0.1
137.02374	0.1
149.02327	0.1
150.72777	0.1
151.00275	0.3
169.06479	0.1
171.08008	0.1
173.06033	0.2
195.08128	0.3
213.09146	1.3
239.07155	0.5
243.95703	0.1
257.08173	10.8
258.08496	1.0
297.53116	0.1
340.82205	0.1
419.13483	1.4
481.36298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1161
Annotation	SCHEMBL2576454
Peak:m/z	Relative Intensity
55.01739	1.4
55.82666	0.9
59.01257	7.9
64.32451	0.9
68.99683	3.2
69.75406	5.5
71.01259	4.5
72.09842	0.8
72.99171	5.4
73.02835	1.0
73.14307	1.2
75.00743	10.2
75.02459	1.3
79.58143	0.8
83.01241	5.2
84.99203	1.4
85.00888	2.5
87.00742	1.7
89.02330	2.1
91.35152	1.0
93.52066	0.9
93.90491	0.9
96.99221	1.2
99.00761	6.1
100.37981	0.8
100.98641	1.1
101.02315	2.1
103.00227	6.0
111.00765	3.2
112.98690	27.6
114.98306	0.9
115.00268	2.2
115.01968	2.7
117.01810	3.2
118.56737	0.9
124.98700	1.8
125.02316	2.1
127.02010	1.4
129.01807	1.3
131.44124	0.9
142.99770	1.0
143.01518	1.8
145.01329	41.1
145.03027	1.9
146.01677	2.8
153.01836	2.0
157.01335	2.8
171.00960	4.4
173.00771	1.8
177.01825	1.4
203.03505	2.1
231.03209	2.7
263.05786	10.2
273.04465	1.0
305.06659	2.0
315.28146	1.0
335.04309	1.9
335.07898	3.1
391.06906	7.6
392.07132	2.2
419.06525	1.4
451.08859	12.8
483.11646	100.0
484.11923	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66224	0.3
61.28841	0.3
71.00935	0.6
75.49361	0.3
78.95774	8.7
88.49730	0.3
96.96830	0.5
118.84354	0.3
123.94243	0.3
152.99493	15.2
153.99828	0.4
167.99521	0.3
171.00578	1.5
177.34868	0.3
203.41789	0.3
227.03204	3.7
245.04315	1.5
255.23270	100.0
256.23621	10.4
263.21555	0.4
377.93604	0.3
483.27280	27.0
484.27728	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	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
64.26525	0.2
70.90810	0.6
78.95776	18.0
83.22702	0.3
95.43878	0.2
96.96848	1.6
109.15948	0.2
132.70508	0.3
150.97951	0.4
152.99493	30.9
153.99783	0.5
171.00549	2.2
205.51215	0.3
227.03210	4.5
228.03368	0.3
237.22031	0.4
245.04221	0.7
255.23268	100.0
256.23621	9.9
286.99951	0.3
329.22934	0.3
391.22675	1.0
480.95578	0.3
483.27280	51.4
484.27640	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.3
57.03312	2.1
57.44062	0.7
59.01254	56.3
69.03321	0.8
69.19753	4.4
69.20177	4.0
71.01255	19.8
71.95285	0.8
72.99168	1.1
73.02821	14.5
83.01280	3.8
85.02822	6.9
86.90163	0.8
87.00742	1.3
89.02313	5.0
93.03339	1.4
98.45358	0.8
99.00748	2.5
101.02323	16.4
109.06428	1.0
111.00787	1.1
113.02345	6.4
119.03387	1.8
121.06483	1.9
123.08047	2.1
135.04437	1.2
155.10654	1.2
161.04478	3.5
177.12764	3.4
179.03415	1.1
195.13878	2.6
221.11699	4.0
255.91931	0.9
355.13922	1.0
357.19128	2.0
365.56650	0.8
378.65887	1.1
383.17328	1.4
401.18164	20.0
402.18195	2.5
427.19995	1.1
443.19211	100.0
444.19489	15.4
487.30420	10.9
488.31042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
57.03327	3.8
59.01252	100.0
60.01587	1.1
69.03333	0.7
69.77219	2.2
70.26012	0.4
71.01255	22.1
72.01575	0.5
72.99181	1.1
73.02820	13.9
75.00745	0.4
80.97066	0.4
83.01258	5.5
85.02825	9.4
87.00766	1.2
89.02319	6.5
93.03330	0.9
95.01292	1.1
97.02811	0.6
99.00753	2.7
101.02323	18.4
102.02650	0.5
109.06519	0.4
111.00798	0.5
113.02338	8.2
113.03088	0.8
119.03403	2.2
123.08064	3.4
125.02336	1.1
131.03429	0.7
135.04384	0.4
143.03432	0.7
149.04449	0.4
151.00307	0.6
151.07558	0.4
153.09106	1.1
154.99803	0.7
155.10649	1.1
159.02914	0.8
161.04478	3.6
161.09648	0.8
165.09001	0.5
172.90706	0.4
173.04387	0.7
177.12759	5.6
195.13834	2.4
199.09669	0.5
205.12270	0.9
221.06662	0.4
221.11771	3.4
223.13383	3.8
241.08755	0.4
269.04648	0.4
295.02588	0.4
296.02808	0.9
297.03830	0.6
325.03348	1.5
326.03729	0.5
357.19220	1.5
367.17401	0.9
383.17178	0.4
385.18506	0.8
401.18195	15.7
402.18454	2.2
427.19516	0.5
432.57458	0.4
443.19202	84.1
444.19553	12.6
487.08780	1.2
487.34100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06806	1.0
55.01759	2.3
57.03321	3.7
58.03631	0.9
59.01251	100.0
69.03325	2.8
69.18801	1.5
69.19203	9.1
70.25067	0.9
71.01252	28.7
72.99192	1.4
73.02819	10.8
74.69328	0.9
77.97874	0.9
83.01254	4.7
85.02826	16.5
89.02309	6.8
93.03332	1.5
95.01266	2.2
95.89920	1.0
97.02839	1.4
99.00760	3.4
101.02332	20.9
104.34888	0.9
105.73806	0.9
109.02812	1.2
109.39577	0.9
113.02332	12.0
119.03385	1.1
119.04924	1.2
123.04403	2.0
123.07987	1.2
125.02322	1.7
135.04411	1.5
143.03424	1.5
146.51485	1.0
153.09097	2.1
159.02867	1.6
161.04480	9.0
173.04477	4.7
179.03447	1.4
179.10645	1.0
185.00859	2.1
191.05507	3.4
192.99596	2.0
195.13806	4.2
205.12225	1.3
223.13512	0.9
289.07059	1.2
339.18213	1.1
357.19135	10.1
367.17438	2.4
401.18030	4.8
425.81351	1.0
443.19193	73.3
444.19601	9.8
487.17896	3.1
487.34280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01251	100.0
60.01592	1.2
69.03339	0.7
71.01252	6.9
71.01619	0.5
71.04910	0.3
71.32655	0.6
73.02834	1.3
77.83793	0.3
81.03318	0.5
83.01263	0.5
85.02814	3.0
87.00765	0.7
89.02325	1.8
93.03338	0.5
95.01279	0.7
97.02789	0.4
99.00783	0.6
101.02328	2.8
111.04494	0.4
113.02335	5.6
113.05959	0.3
113.13052	0.4
115.00285	0.8
119.03402	0.8
121.02824	0.4
123.04393	0.7
125.02372	0.7
131.22076	0.3
135.04424	0.8
136.05214	0.5
138.06734	0.9
139.07574	0.6
143.03384	0.6
151.07568	2.1
152.08333	5.9
153.09114	10.8
154.09529	0.5
158.32216	0.3
161.02463	0.5
161.04446	2.2
161.05785	0.5
173.04459	1.6
179.03493	0.4
179.10756	1.4
185.00887	0.3
191.05577	0.7
193.05156	0.4
195.04822	1.0
203.05650	0.4
205.12267	8.7
205.14050	0.5
206.12720	0.6
223.13362	4.5
265.14493	0.8
295.10837	0.6
328.00143	0.3
367.17615	17.1
368.17899	2.7
371.12622	0.4
385.18747	3.3
386.19141	0.3
427.19788	7.5
428.20096	0.5
443.19391	1.6
461.57352	0.4
469.16925	0.5
477.34250	0.4
487.34399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02834	3.3
59.01250	11.5
69.03311	1.0
70.75942	0.7
71.01248	2.6
71.04894	1.6
71.53023	0.8
71.67808	0.6
75.00746	1.6
78.91525	0.7
81.02065	2.9
82.02853	21.7
83.01247	0.9
84.04418	3.0
85.02820	3.4
87.00747	11.2
89.02314	1.9
91.40604	0.7
93.03319	1.9
94.02851	2.5
95.04935	0.7
95.72235	0.7
96.04417	1.1
96.95892	7.6
97.06470	2.2
101.02314	2.3
102.01833	4.3
102.05490	2.2
107.03633	1.8
107.04927	1.1
108.04411	2.7
110.06009	0.9
113.02335	1.1
121.02814	1.1
121.06493	0.7
123.04408	0.9
124.07533	1.3
125.02316	2.4
128.03404	10.0
134.05959	1.0
135.08025	0.8
136.07578	5.1
137.02328	1.1
148.07590	1.2
150.05486	3.3
151.03865	1.0
151.07439	0.9
159.07997	0.9
167.05803	1.6
168.06549	10.7
173.04449	6.1
177.09134	0.8
178.08670	2.9
191.05502	4.2
196.09663	1.0
204.10178	1.3
207.06506	1.4
220.13458	1.2
222.11308	1.2
226.12387	0.9
233.11826	1.1
242.15408	2.2
246.11279	1.7
264.12439	0.9
270.11343	0.8
275.09366	0.9
286.14554	4.9
310.18155	1.2
314.13950	1.1
328.19095	1.0
354.17032	1.3
358.12918	1.1
372.18140	4.6
382.16547	1.2
398.16043	1.1
416.17044	1.8
444.16675	10.3
445.16617	1.1
470.14398	1.1
488.15625	100.0
489.15866	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	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50904	0.3
55.25279	0.3
57.03326	0.4
59.01250	32.5
60.74704	0.3
61.98681	0.5
63.02270	0.6
65.00197	0.5
69.03315	0.8
71.01251	4.7
71.53129	0.4
72.99184	0.3
73.02820	4.9
73.50073	0.3
75.00730	0.4
83.01265	1.7
85.02830	1.1
87.00744	0.3
89.02307	1.2
91.01755	0.3
93.03346	1.8
95.01303	0.5
97.02829	5.7
99.00739	0.4
99.04434	0.4
101.02324	5.0
107.01280	2.2
109.02831	0.9
113.02321	2.7
119.03395	0.8
121.02803	0.3
122.02365	4.0
123.00749	0.5
123.04395	0.3
125.02325	0.8
131.03375	0.5
132.02045	1.3
135.00768	1.6
137.02379	0.6
137.09616	1.0
143.03427	0.4
143.04895	0.9
145.02856	0.5
145.06496	0.3
149.04477	1.1
151.00255	1.8
151.03886	0.4
153.01849	0.6
155.10687	11.1
156.05701	0.3
157.06502	0.3
159.04419	1.2
161.02356	0.6
161.04494	2.2
163.00275	2.4
164.01033	0.6
165.01903	0.4
169.06505	0.5
171.04425	0.7
173.04445	0.6
183.04449	1.0
185.02425	0.6
185.06049	1.6
187.03886	2.3
189.05479	0.9
189.51331	0.3
191.05528	0.9
195.04420	0.6
197.06023	0.8
199.03952	1.0
199.09685	12.2
201.05518	0.4
211.03999	2.8
212.04639	0.5
213.05498	1.5
221.06587	0.6
223.03993	0.3
226.02794	0.4
227.03447	29.1
228.03877	2.5
229.05016	9.2
230.05351	0.8
239.03514	1.7
240.04254	0.7
241.05035	1.5
255.02966	60.6
256.03421	6.8
257.04547	5.7
267.02917	0.7
283.02423	1.7
284.03259	70.8
285.04010	100.0
286.04376	9.8
369.13290	1.3
369.18207	0.4
387.20197	0.3
429.08218	2.3
429.21066	0.8
430.08441	0.4
447.09354	0.6
489.10388	30.2
490.10699	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	489.1039
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
51.38400	0.1
56.84516	0.2
59.01245	0.8
63.02269	0.6
65.00196	0.6
69.30257	1.4
77.29115	0.1
83.01261	0.3
91.01785	0.2
93.03345	1.2
107.01271	1.9
108.02039	0.3
109.02826	0.5
121.02723	0.2
130.04160	0.2
132.02025	1.3
135.00769	1.5
135.04323	0.2
143.04922	0.7
145.02760	0.3
151.00270	1.5
153.01846	0.3
155.04808	0.2
155.59996	0.2
157.06451	0.7
158.03641	0.2
159.04408	1.0
163.00294	2.0
164.01041	0.6
165.01845	0.2
167.04913	0.5
169.01337	0.2
169.06500	0.6
171.04431	0.6
173.02342	0.3
173.05952	0.2
176.64589	0.1
176.68108	0.1
178.99838	0.3
182.03606	0.3
183.04436	0.8
184.05142	0.2
185.02489	0.3
185.05991	1.2
187.03923	2.3
189.05460	0.6
190.84169	0.2
190.99811	0.3
192.00453	0.2
195.04448	0.4
196.05234	0.3
197.06001	0.7
199.03941	1.0
200.04761	0.4
201.05440	0.5
209.00835	0.3
211.03946	2.4
212.04341	0.2
213.01880	0.2
213.05452	1.0
215.03462	0.2
217.05014	0.2
223.03931	0.2
227.03441	26.4
228.03842	2.3
229.05020	7.0
229.06905	0.1
230.05351	0.6
239.03458	1.5
240.04153	0.5
241.04945	0.8
243.03035	0.3
255.02957	53.9
256.03427	6.4
257.04523	4.3
258.04935	0.2
267.02988	0.6
269.04233	0.2
283.02417	0.7
284.03250	70.3
285.03998	100.0
286.04370	8.8
327.05124	0.8
457.51181	0.2
489.10352	43.2
490.10715	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	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.4
61.66272	0.3
63.02259	0.4
65.00214	0.4
69.03323	0.5
70.17818	0.9
73.02832	1.4
83.01248	0.6
83.61210	0.3
85.02821	0.7
89.02319	0.5
93.03349	1.0
95.01254	0.3
97.02831	1.0
99.04433	0.3
101.02334	0.8
106.10898	0.3
107.01272	0.9
109.02827	0.4
111.08029	0.3
113.02341	1.1
119.03384	0.4
119.04863	0.3
122.02372	0.6
125.02383	1.3
132.02057	0.4
135.00772	0.7
135.04399	0.3
135.85410	0.3
137.02301	0.6
139.11145	0.3
143.04924	0.3
151.00264	2.5
153.01837	0.3
155.10703	1.5
159.04405	0.4
161.04549	0.3
163.00276	1.0
164.01025	0.3
167.05045	0.4
169.01427	0.3
171.04320	0.3
173.04436	0.5
173.05827	0.3
174.03114	0.5
178.99825	0.4
183.04416	1.8
183.10205	0.8
185.00809	0.3
185.05972	1.0
187.03928	0.7
191.05548	0.4
195.04524	0.3
199.03984	0.4
199.09752	1.7
211.03935	2.2
211.13731	0.2
213.05455	0.6
226.02686	0.3
227.03455	81.8
228.03795	6.4
229.05019	2.4
230.05380	0.3
239.03447	0.6
240.04073	0.4
241.05031	0.6
243.02808	0.3
243.10080	0.3
255.02971	100.0
256.03497	14.2
257.04401	2.0
267.02924	0.5
267.15863	0.4
269.04428	0.5
283.02521	0.4
284.03256	67.4
285.03970	33.8
286.04416	2.4
297.04004	0.3
299.05661	0.4
327.05081	1.8
327.18246	0.5
345.26501	0.5
489.10376	93.1
490.10706	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	489.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49766	0.8
53.27006	0.7
55.01740	0.8
57.03326	1.7
59.01251	100.0
61.98678	0.9
69.03329	1.6
71.00860	1.5
71.01247	15.2
71.02237	1.5
72.99172	1.5
73.02813	13.9
81.03363	0.8
81.17300	0.8
83.01268	5.0
85.02826	5.3
87.00751	1.4
87.04404	1.1
89.02311	6.4
93.03333	3.0
95.01252	1.0
95.84743	0.9
97.02861	1.4
97.06496	0.8
99.00760	2.0
99.04385	1.1
101.02325	12.7
109.02844	5.6
113.02321	5.6
116.97501	0.7
119.03374	1.4
119.05022	1.0
123.08025	1.5
125.02338	2.8
127.00278	2.5
131.03381	1.5
135.04414	5.0
137.02350	1.7
137.09619	2.4
140.53058	1.0
145.01305	1.0
149.04504	1.4
151.00287	1.2
155.10699	5.1
159.04480	1.1
161.02359	2.0
161.04480	3.0
161.05927	1.1
171.04410	1.4
173.04443	3.8
177.01814	2.9
179.03450	1.6
179.96658	0.7
191.05542	3.3
197.11777	1.2
199.09697	1.3
205.12134	1.2
207.13823	2.2
223.03758	0.9
223.13330	7.5
224.13510	1.3
225.14911	1.0
226.02670	1.2
227.03404	2.2
227.07088	4.4
229.05194	1.4
241.10764	2.5
255.02963	3.5
269.04636	1.6
281.08298	4.6
283.02438	1.0
284.03299	3.9
285.03973	3.9
310.03549	1.1
313.10742	3.8
315.04880	1.3
326.04346	1.1
327.04312	1.7
327.10971	1.9
327.15668	4.2
328.04681	2.3
353.08533	1.1
369.19092	1.9
387.20242	1.6
403.19547	5.6
429.20853	1.5
445.20715	41.9
446.21210	4.6
489.10550	2.9
489.22232	1.1
489.27847	1.2
490.09726	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	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03325	0.9
58.00476	0.3
59.01253	100.0
59.20901	0.2
60.01589	1.2
68.99679	0.2
69.03332	1.0
71.01257	9.9
71.52772	0.2
72.01600	0.4
72.99199	0.8
73.02825	4.2
81.03358	0.7
83.01258	1.7
83.04919	0.4
84.02040	0.2
85.02828	6.3
85.08414	0.2
85.99962	0.2
87.00751	6.1
87.04396	0.3
89.02322	4.0
93.03342	0.5
95.01282	0.7
97.02840	1.5
97.06506	0.3
99.00756	3.6
99.04407	0.4
101.02327	6.0
105.09637	0.2
107.04880	0.4
108.02076	0.5
111.00806	0.5
111.04381	0.4
112.01546	0.2
113.02334	7.0
115.03862	0.2
118.98032	0.3
119.03384	0.5
122.02435	0.3
123.04409	2.2
125.02339	1.5
125.05986	1.8
129.01839	0.5
131.03432	0.9
135.04396	0.3
137.02354	0.3
139.03931	0.6
141.05499	1.2
143.03398	1.6
149.04523	0.5
151.03868	0.3
153.05484	0.5
156.92696	0.2
159.02902	0.7
161.04457	2.5
163.11285	0.3
167.03412	0.3
169.04994	1.4
170.90353	0.2
173.04544	0.6
179.03427	0.3
190.62682	0.2
191.05600	0.4
205.07091	0.4
211.13441	0.3
224.50159	0.2
226.11171	0.6
227.03539	0.4
229.04979	0.2
229.14168	0.2
233.06688	0.9
241.13382	2.0
251.10353	0.3
255.02974	1.5
256.03693	0.2
284.03171	1.3
285.04016	1.4
285.12466	1.4
285.16974	0.3
315.18140	2.3
316.18564	0.3
327.16336	0.3
355.17816	0.3
373.26328	0.3
399.23590	0.2
411.20972	0.3
429.21185	7.2
429.26370	0.4
430.21649	0.6
447.22296	11.1
448.22699	1.8
489.10483	0.7
489.26996	1.8
490.27866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
55.01998	0.1
57.03318	0.6
58.91466	0.1
59.01252	100.0
60.01585	1.2
63.26622	0.1
68.99706	0.2
69.03331	0.6
69.30270	0.8
71.01256	6.1
72.01600	0.1
72.99171	0.7
73.02823	2.4
75.00742	0.2
81.03343	0.3
83.01261	1.0
83.04909	0.4
84.02066	0.1
85.02824	4.3
87.00753	5.8
88.01098	0.1
89.02322	1.6
89.02845	0.1
93.03351	0.3
95.01275	0.4
95.04917	0.4
97.02846	0.6
97.06490	0.3
99.00757	2.3
99.04418	0.2
101.02322	3.3
107.04930	0.3
108.02039	0.5
109.02882	0.2
110.03620	0.2
111.00775	0.3
111.04444	0.4
112.01572	0.2
113.02335	5.1
114.02671	0.1
119.03410	0.3
121.02880	0.1
123.04410	1.8
124.01615	0.1
125.02380	0.8
125.05997	1.7
129.01855	0.4
131.03401	0.5
135.04446	0.2
137.02403	0.2
139.03905	0.6
141.05479	1.2
143.03415	1.7
149.04500	0.2
151.03932	0.3
153.05489	0.6
159.02933	0.4
161.04471	2.2
167.03496	0.1
169.05014	1.0
173.04495	0.3
184.34953	0.1
191.05579	0.2
193.11948	0.1
195.38634	0.1
205.07117	0.2
215.05586	0.2
218.04402	0.2
219.05116	0.4
230.66760	0.1
233.06624	0.8
275.07782	0.2
283.69379	0.1
284.03033	0.1
285.04498	0.1
292.07773	0.1
315.18109	1.2
355.17651	0.5
411.20441	0.2
429.21274	6.2
430.21478	0.9
447.22330	7.2
448.22675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
57.32766	0.3
59.01253	100.0
60.01596	1.4
70.87061	0.6
71.01256	2.7
72.73981	0.2
73.02817	2.0
79.23378	0.2
83.01276	0.6
85.02847	1.0
89.02328	1.4
93.03333	0.3
95.01295	0.4
101.02348	2.3
109.02842	0.3
113.02328	2.1
119.03397	0.6
143.03394	0.4
149.04454	0.3
161.04483	1.1
173.04518	0.5
180.57751	0.2
187.62099	0.2
191.05571	0.5
369.19098	3.5
370.19547	0.6
387.20319	2.0
388.20667	0.3
429.21307	2.5
489.23984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	9.5
57.15598	0.4
59.01250	25.0
61.98685	0.6
68.99699	0.5
69.03310	1.3
69.31507	1.1
69.31906	3.7
71.01255	6.4
71.04893	0.6
72.99182	0.8
73.02812	3.2
75.00735	0.7
76.62740	0.4
78.03356	0.6
83.01237	1.1
83.04928	0.5
85.02832	1.7
87.00740	0.7
87.04455	0.5
89.02315	6.2
93.03337	0.9
95.01245	0.9
97.02831	10.6
97.06469	0.6
99.00748	2.6
99.04395	7.9
101.02325	5.6
109.02847	1.1
109.06483	0.5
113.02333	2.2
114.53868	0.4
118.97955	3.1
119.03383	1.2
122.02369	100.0
123.00787	2.9
123.02710	4.4
125.02346	3.6
128.03461	0.5
131.03404	1.0
134.12236	0.5
135.04376	0.8
137.09595	2.8
149.04437	3.3
153.12766	3.8
155.10683	39.8
156.11044	2.6
161.04497	1.0
173.04549	1.0
179.10739	1.1
190.92949	0.5
191.05528	1.8
197.11790	3.0
199.09689	41.6
199.13370	2.4
200.10052	2.8
209.11768	1.1
229.81447	0.5
233.06500	0.5
255.03069	0.6
256.03339	1.1
270.05115	0.5
271.02499	1.1
284.03287	0.6
285.03928	0.7
286.04169	0.9
287.22162	0.7
290.03067	5.1
328.16229	0.6
353.69489	0.5
367.08347	0.8
405.21323	1.6
431.26532	1.8
447.22440	3.0
449.27481	1.5
490.13062	1.4
490.26599	0.8
491.14230	0.9
491.28387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.2
59.01250	51.8
60.01581	2.0
60.09686	0.6
61.98702	1.0
63.12455	0.5
69.03328	8.6
69.59194	2.7
71.01250	4.8
72.38948	0.5
72.99187	1.1
73.02810	5.7
75.00754	0.7
79.01756	1.1
83.01260	1.3
85.02804	2.6
87.00761	1.0
89.02318	1.9
92.10783	0.5
93.03366	1.0
95.01273	2.2
95.04973	0.7
95.94759	0.5
97.02828	50.5
98.03163	1.3
99.00767	2.3
101.02308	3.8
103.80458	0.5
109.02826	0.7
110.88679	0.6
113.02332	2.9
118.97988	1.6
119.03406	0.5
122.02367	35.6
123.00792	2.2
123.02705	1.0
123.04411	1.7
123.08090	0.7
125.02328	1.2
135.04437	2.7
135.08052	1.2
137.09637	5.7
139.03909	1.0
141.01828	1.9
143.03426	0.7
145.02875	0.9
148.42401	0.7
151.00272	2.6
151.03825	0.7
155.10678	100.0
156.10963	4.4
173.04478	1.7
185.00832	6.4
191.05486	0.8
199.09689	84.8
200.10028	5.8
227.03407	0.8
228.03835	1.2
234.79143	0.6
249.06163	2.7
255.02948	1.6
256.03333	1.8
284.03183	1.8
285.03748	4.3
285.17041	1.0
286.04431	2.4
286.17429	1.6
287.05530	2.0
308.04105	5.9
309.04266	0.7
329.13934	1.5
369.13452	2.2
371.20770	1.1
372.09409	3.2
389.21957	1.1
431.22815	0.8
490.12183	2.5
490.30331	0.8
491.11816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.2
59.01250	51.8
60.01581	2.0
60.09686	0.6
61.98702	1.0
63.12455	0.5
69.03328	8.6
69.59194	2.7
71.01250	4.8
72.38948	0.5
72.99187	1.1
73.02810	5.7
75.00754	0.7
79.01756	1.1
83.01260	1.3
85.02804	2.6
87.00761	1.0
89.02318	1.9
92.10783	0.5
93.03366	1.0
95.01273	2.2
95.04973	0.7
95.94759	0.5
97.02828	50.5
98.03163	1.3
99.00767	2.3
101.02308	3.8
103.80458	0.5
109.02826	0.7
110.88679	0.6
113.02332	2.9
118.97988	1.6
119.03406	0.5
122.02367	35.6
123.00792	2.2
123.02705	1.0
123.04411	1.7
123.08090	0.7
125.02328	1.2
135.04437	2.7
135.08052	1.2
137.09637	5.7
139.03909	1.0
141.01828	1.9
143.03426	0.7
145.02875	0.9
148.42401	0.7
151.00272	2.6
151.03825	0.7
155.10678	100.0
156.10963	4.4
173.04478	1.7
185.00832	6.4
191.05486	0.8
199.09689	84.8
200.10028	5.8
227.03407	0.8
228.03835	1.2
234.79143	0.6
249.06163	2.7
255.02948	1.6
256.03333	1.8
284.03183	1.8
285.03748	4.3
285.17041	1.0
286.04431	2.4
286.17429	1.6
287.05530	2.0
308.04105	5.9
309.04266	0.7
329.13934	1.5
369.13452	2.2
371.20770	1.1
372.09409	3.2
389.21957	1.1
431.22815	0.8
490.12183	2.5
490.30331	0.8
491.11816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18848	0.6
57.03324	3.5
57.85682	0.6
59.01257	3.8
61.60360	0.5
61.98706	0.8
69.03324	0.5
71.01273	0.9
78.95778	14.3
80.18686	0.5
85.02801	0.5
93.03425	0.5
96.96885	0.6
97.06468	0.7
109.06470	0.8
113.08828	1.0
113.09609	15.8
114.09974	0.8
122.00022	0.6
123.04329	0.6
124.46883	0.5
139.11180	1.6
140.01103	3.5
152.99503	1.6
167.10703	2.2
171.00529	1.3
177.12776	1.3
179.10715	2.1
191.83360	0.5
195.13882	2.9
196.03705	1.2
214.04782	3.9
214.35315	0.6
249.22195	0.9
275.20154	1.3
293.21225	100.0
294.21552	12.3
332.31866	0.6
490.25708	17.6
490.32782	0.9
491.26212	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	490.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52312	0.6
59.01251	3.9
61.98709	0.9
69.21179	6.6
71.01249	0.7
75.44104	0.6
78.95777	19.2
80.59776	0.6
80.87347	0.6
82.81255	0.5
84.23264	0.5
91.04332	0.5
98.19833	1.2
119.23395	0.6
124.19787	0.6
131.64630	0.6
140.00191	0.6
140.01093	3.9
141.09093	0.9
146.96028	0.5
152.99483	2.8
171.00534	1.5
179.14259	0.8
195.13843	10.3
196.03706	2.4
196.14265	1.0
211.13286	0.9
214.04800	5.7
223.13344	7.9
228.13539	0.8
231.02963	0.7
243.03020	1.6
256.13199	1.8
265.21896	0.7
271.02545	3.0
275.20172	4.3
293.21231	100.0
294.21616	10.6
394.06915	3.3
490.25754	29.0
491.26038	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	491.1194
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03316	0.4
59.01251	7.0
60.49773	0.2
63.02266	0.9
65.00194	13.1
66.72931	0.2
69.03307	0.4
69.29536	0.2
69.29842	2.1
71.01269	1.3
73.02814	0.5
73.14468	0.2
75.00735	0.3
79.01768	0.3
83.01258	5.6
85.02843	0.9
87.00753	0.2
89.02325	0.4
93.03323	1.3
95.01275	0.5
97.02839	0.5
98.20565	0.5
101.02312	0.7
103.01773	0.5
107.01271	22.1
107.04931	0.4
108.01551	0.7
108.99211	0.3
109.02847	2.9
111.00749	0.6
113.02308	0.4
113.54895	0.2
121.02831	0.8
123.04399	3.5
125.02328	4.3
129.01892	0.3
131.01259	1.9
133.02837	0.5
134.03641	2.0
135.04413	89.0
136.01544	0.3
136.04747	4.3
137.02330	0.9
137.09502	0.3
139.03891	0.3
147.02902	0.2
147.04346	0.3
149.02397	0.5
150.03128	0.6
151.00273	100.0
152.00598	3.6
155.10686	1.7
158.03716	0.3
159.04407	0.5
161.02353	1.3
161.04512	0.2
164.01012	0.4
165.01839	1.5
165.99135	0.4
167.03441	0.3
169.01332	1.7
173.04474	0.6
175.00278	6.7
177.01863	0.8
179.03410	0.3
183.04463	0.3
191.05539	0.4
193.01355	1.9
196.00044	0.4
199.09602	1.3
201.01852	0.4
201.05492	0.4
202.02747	0.3
203.03427	0.3
205.01407	0.5
206.01927	0.2
213.01918	0.5
217.01323	0.4
222.86621	0.2
224.04709	0.3
225.05473	0.3
229.01318	0.6
229.05159	0.3
230.02145	0.5
241.01494	0.3
242.02208	0.5
243.12366	1.4
255.02769	0.3
257.00900	1.2
257.04709	0.3
258.01590	0.9
269.00931	0.4
269.04364	0.7
271.02588	0.5
272.03247	0.2
284.03061	0.3
285.00528	0.6
285.04068	1.0
286.01205	1.1
286.04120	0.3
287.05612	93.6
288.05948	9.0
297.00504	1.4
300.02725	0.4
301.03540	1.0
311.05658	0.7
313.03494	0.4
314.00711	0.2
328.02167	1.0
329.03058	5.1
329.06613	0.7
329.14001	5.0
330.03668	0.5
330.14331	0.5
331.04590	0.6
355.06821	1.3
371.20502	0.4
431.22672	0.4
491.08344	1.4
491.12054	1.2
491.25107	0.4
492.08545	0.6
497.57553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16548	0.6
57.03315	3.7
59.01252	42.7
63.02262	1.3
65.00182	2.7
68.14877	0.6
71.01254	3.5
71.12296	1.3
73.02820	1.3
73.98862	0.8
81.03321	3.3
83.01269	5.4
85.02806	1.6
85.13804	0.6
87.00739	1.9
89.02306	1.5
93.03325	4.9
94.03643	0.7
97.02841	1.4
99.00768	0.7
101.02315	2.6
104.92007	0.6
107.01278	3.6
109.02833	2.8
111.00734	0.7
113.02322	1.8
119.15630	0.6
119.29923	0.6
121.02829	1.4
123.00791	0.7
123.04385	2.2
124.01539	2.1
125.02339	41.5
126.02679	1.4
129.01820	0.6
131.01276	0.7
133.02809	1.9
134.03535	0.6
135.04402	2.6
137.02356	1.8
139.03883	2.0
143.04826	0.7
149.02330	2.7
149.04507	1.1
149.05916	0.7
150.99147	1.1
151.00282	16.6
151.03967	0.9
152.01079	3.6
153.01834	5.2
153.09120	6.3
155.10672	1.8
157.06462	0.8
158.03658	1.2
159.04402	1.2
165.01828	2.0
167.03345	1.9
169.01337	1.7
172.05211	2.8
173.04538	0.7
173.05983	8.9
175.00288	2.8
175.03960	2.1
177.05524	3.4
178.99768	12.6
179.03458	1.0
180.00151	0.8
181.01335	1.8
187.07594	0.9
197.06422	1.0
197.08110	6.7
199.04018	0.7
199.07549	1.9
199.09483	0.9
200.04659	1.1
201.05493	3.7
205.08572	0.8
213.05444	0.7
215.07079	12.6
216.07423	0.7
241.04971	1.3
243.03004	0.8
243.06645	6.9
259.06100	100.0
260.06433	7.5
269.04483	1.6
271.02493	2.9
273.07800	1.4
283.06113	15.1
284.06424	1.4
287.05615	55.1
288.05972	5.6
301.07190	8.6
311.05569	1.3
311.12717	1.1
313.07333	3.0
314.04352	2.2
329.06741	4.1
329.12497	1.5
339.14526	0.7
353.59155	0.7
356.07584	0.8
371.20251	0.8
383.06241	0.9
431.22894	1.4
463.12543	16.9
464.12653	2.9
476.26773	0.7
491.11853	4.2
491.16989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.4
67.26244	0.3
69.03320	0.6
71.01261	6.0
73.02817	4.5
76.13230	0.3
87.00742	2.6
89.02313	28.7
90.02644	0.5
92.60296	0.3
103.03870	1.5
118.28909	0.4
120.44964	0.3
131.03395	6.6
135.04445	0.6
149.04451	100.0
150.04767	2.7
189.92761	0.3
191.05568	0.4
210.17595	0.4
217.09116	0.4
251.23769	0.4
259.12521	0.3
314.09595	0.3
349.95084	0.4
378.62567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	86.4
58.11732	1.0
59.01250	100.0
60.01584	1.3
61.98700	26.6
69.03324	1.1
69.40108	0.8
69.40439	7.2
71.01255	14.9
72.99171	1.2
73.02822	8.5
74.98973	1.7
81.03336	2.5
82.74908	0.9
83.01260	3.3
83.04918	1.5
85.02831	4.5
87.00773	1.5
87.04401	1.2
89.02312	5.7
93.03333	3.1
95.01283	1.5
99.00736	1.6
99.04398	66.7
100.04732	1.8
101.02323	19.7
103.39509	0.9
109.02845	1.3
111.04430	1.4
113.02306	5.6
118.97980	5.0
119.03397	1.1
123.04370	1.4
125.02335	25.9
131.03415	1.0
135.04453	2.0
137.02351	2.0
137.09618	1.4
143.03387	2.7
149.04416	1.2
151.03880	0.9
155.10681	10.2
161.04466	3.4
165.01939	1.0
167.03383	1.0
173.04491	5.0
178.99814	3.0
191.05563	1.6
198.66174	1.0
199.09689	5.3
203.05495	1.1
209.04607	1.1
230.02199	1.1
232.21399	1.1
236.22720	0.9
240.91551	1.0
243.03015	1.7
255.02942	3.5
269.17645	1.4
270.01706	0.9
271.02444	6.9
283.02466	3.8
287.22250	1.4
299.02042	2.9
300.02631	1.7
311.09970	1.0
328.02271	13.2
329.02975	10.0
329.06720	3.0
329.23096	1.3
371.11636	2.8
371.20844	2.5
431.26941	2.0
449.27438	2.4
491.07703	7.0
491.22147	2.8
491.28696	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	491.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	72.5
58.03654	1.1
59.01251	100.0
60.01583	1.5
60.99203	0.9
61.98702	30.6
66.54227	0.9
69.03320	1.1
71.01258	15.2
71.53817	1.1
71.54191	1.4
72.99178	1.0
73.02820	9.1
74.02377	0.9
75.98753	0.9
77.05093	0.9
81.03324	2.9
83.01250	2.4
84.07954	0.9
84.45306	0.8
85.02828	7.3
87.00765	2.7
89.02301	5.4
93.03336	2.9
95.01252	1.8
96.95872	1.3
97.02860	0.9
99.04395	53.9
100.04698	1.4
101.01699	1.6
101.02326	21.5
107.87106	0.9
109.02851	1.8
109.10653	1.0
112.85246	0.8
113.02323	8.2
118.97985	5.8
119.03410	1.9
119.93329	0.9
121.02825	0.9
122.02403	1.1
123.04384	1.2
125.02341	21.1
126.02621	1.2
135.04465	1.6
137.02348	1.5
137.09564	1.0
143.03372	2.5
149.04416	1.5
153.09085	1.0
155.10689	9.3
161.04463	3.9
173.04439	4.8
178.99715	2.1
180.78680	0.9
191.05614	1.9
192.00549	1.3
199.09692	4.6
226.02670	0.9
227.03395	1.6
243.03073	1.0
255.02962	4.1
257.04587	0.9
269.17639	1.4
271.02472	9.2
272.03098	1.8
283.02533	5.3
284.02997	1.0
287.09311	1.1
287.22156	1.6
299.01904	5.0
300.02472	1.7
301.03500	1.5
310.84711	1.2
313.03986	0.9
328.02283	10.9
329.03076	12.6
329.06781	2.4
330.03223	1.1
344.65448	0.9
344.82635	0.8
371.11600	1.5
371.20752	3.8
389.21762	1.0
431.26682	2.6
449.27289	2.5
491.07947	8.9
491.21378	1.9
491.28577	6.8
492.31839	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01254	14.3
63.63684	0.4
66.50438	0.3
69.03319	0.4
71.01257	7.3
73.02823	5.2
80.04917	0.7
83.01234	1.5
85.02818	2.8
89.02337	0.5
93.03343	0.3
94.06516	0.7
95.01246	0.7
95.03675	0.5
96.00758	0.9
96.08068	2.2
97.01570	4.9
97.02807	0.3
98.02338	0.6
98.05994	1.6
100.03940	0.9
101.02332	2.5
106.06496	0.7
108.04440	1.1
109.01652	0.6
109.05221	2.0
110.05995	1.2
113.02350	2.9
114.02715	0.5
118.06498	3.0
120.08100	0.5
121.69272	0.3
122.05998	0.8
124.07574	36.3
125.02356	0.7
125.07911	1.5
126.05492	0.9
134.06029	3.6
136.03978	0.4
136.07605	0.6
137.04657	0.6
138.05476	1.3
143.03438	0.3
148.07547	0.7
150.05507	1.3
158.06021	0.8
160.07726	0.3
161.04471	0.4
162.04263	0.6
162.05525	7.9
163.06319	5.5
166.04977	0.6
173.04568	0.5
176.07069	0.7
178.05026	7.2
179.05383	0.5
192.06593	0.9
194.04523	1.3
200.14400	1.8
203.05534	0.4
243.15012	5.2
244.15271	0.4
271.02539	0.4
283.14517	0.9
287.14014	100.0
287.22302	1.9
288.14337	10.8
301.15604	2.9
329.15033	16.3
330.15506	2.0
431.18173	2.9
431.26764	0.8
432.18988	0.4
449.18933	0.5
449.27362	1.7
490.34756	0.5
491.13855	0.7
491.20718	1.4
491.28592	6.0
491.34885	1.2
492.20612	0.4
492.29034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30798	1.4
57.03314	10.5
58.00471	2.3
59.01250	96.5
69.39144	12.1
71.01251	41.1
72.99167	2.7
73.02819	13.5
81.16737	1.3
83.01253	4.3
85.02859	8.7
87.00748	5.8
89.01762	2.8
89.02314	45.1
93.03360	2.6
97.02824	3.5
97.06488	3.4
98.19800	2.0
99.00758	15.3
99.04374	4.3
99.79787	1.5
101.02324	27.1
109.02847	2.5
113.02326	9.0
118.97968	13.5
122.02370	6.2
123.02687	1.9
125.02342	6.4
125.09661	1.7
131.03398	6.6
135.04404	2.0
149.04482	25.1
149.05679	2.6
151.03873	2.4
153.12762	24.2
155.10718	1.6
156.11038	1.6
165.09096	1.4
165.74675	1.4
173.04489	3.5
179.10658	6.9
191.05525	7.0
197.11769	24.4
198.12041	1.8
199.09644	2.5
213.15013	1.3
225.14838	8.3
233.06638	2.5
243.02808	2.1
243.15982	15.4
255.15982	2.9
271.02493	4.6
287.09262	2.5
293.08762	4.6
328.02063	2.2
370.13583	3.3
387.20258	8.0
405.21274	44.1
406.21747	6.4
431.26279	2.5
447.22336	100.0
448.22784	14.5
453.50189	1.7
491.13467	3.4
491.22211	2.0
491.28690	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86354	0.9
55.01745	1.0
57.03323	14.8
58.00467	1.9
59.01252	100.0
60.01587	1.8
61.98705	1.0
69.03323	1.3
69.96572	0.7
71.01257	40.9
71.04905	1.0
71.52327	1.2
71.52733	1.1
72.01547	0.8
72.99186	3.2
73.02814	16.8
74.68129	0.7
74.98956	0.8
75.00747	1.3
81.03299	1.6
82.67113	0.8
83.01258	4.8
83.04928	1.0
85.02827	8.8
87.00297	0.8
87.00739	5.3
89.02321	54.2
93.03327	1.9
95.01241	1.9
95.04893	1.0
97.02817	2.0
97.06469	2.9
99.00760	13.5
99.04400	13.0
99.08043	1.2
101.02328	30.9
101.02999	1.9
107.06890	0.9
109.02847	2.3
113.02335	9.4
118.97974	12.8
119.03391	3.5
122.02371	8.5
122.03248	0.8
122.03642	1.2
123.02702	3.1
123.04399	1.8
123.08056	1.1
125.02328	12.5
125.09619	1.9
131.03404	9.5
135.04391	1.4
137.02292	0.9
137.09509	1.2
143.03371	2.2
149.04459	29.4
151.03978	1.0
153.12761	33.3
154.13112	1.4
155.10689	4.0
156.11000	2.3
161.02374	1.0
161.04468	5.0
173.04451	3.7
179.10677	8.7
191.05534	10.6
197.11771	29.1
198.12134	2.2
199.09705	3.3
199.13322	1.1
200.10068	2.6
213.14877	3.2
221.06551	1.3
225.14923	8.1
233.06644	2.3
243.15977	12.8
244.16336	1.4
251.07764	1.8
255.16061	2.1
270.01657	1.0
271.02563	1.4
287.22388	1.0
293.08826	6.4
294.09213	0.9
311.09805	1.3
328.02185	1.2
329.03000	1.7
370.13751	2.4
387.20209	8.6
388.05627	0.8
388.20798	1.2
405.21295	42.5
406.21616	5.1
431.26569	2.7
447.22354	96.3
448.22803	14.8
449.27686	1.4
461.25696	0.8
491.13342	3.1
491.29230	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.3
57.11745	0.3
59.01251	100.0
60.01596	1.0
69.52781	0.2
70.55071	0.8
71.01253	2.6
73.02810	0.9
75.25243	0.2
83.01300	0.5
85.02822	1.7
87.00765	0.3
87.04396	0.5
88.82405	0.3
88.94427	0.2
98.19914	0.3
101.02332	1.6
113.02376	1.1
143.03468	0.4
161.04520	1.2
173.04449	0.4
183.13879	0.4
231.03029	0.3
371.20874	0.6
389.21729	2.6
390.22238	0.3
394.06921	0.5
431.23135	1.1
489.89841	0.3
489.96976	0.3
491.29117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58011	0.2
57.03314	0.8
59.01251	100.0
60.01592	1.2
61.98699	0.6
65.00203	0.3
65.59041	0.2
66.06833	0.2
69.03341	0.5
71.01251	5.8
71.01617	0.4
71.04862	0.4
72.99192	0.8
73.02819	2.4
74.99000	0.4
75.00737	0.5
75.34286	0.2
78.95763	0.3
80.84797	0.2
83.01273	1.2
83.04895	0.6
85.02820	2.4
87.00787	0.8
89.02313	3.2
89.50018	0.3
93.03345	1.1
95.01263	0.3
95.04939	1.0
97.02834	0.4
97.06420	0.3
101.02327	4.0
109.02858	0.6
111.00789	0.6
111.04383	0.5
112.99552	0.2
113.02323	2.7
118.05917	0.3
118.97977	3.9
119.03414	1.0
121.06490	0.3
123.04455	0.7
123.08080	0.3
125.02325	0.4
129.01671	0.3
135.04454	1.1
137.02292	0.4
143.03450	0.5
149.04546	0.3
151.00296	0.4
152.84990	0.3
153.12791	0.5
155.10677	3.3
161.04497	1.2
163.07623	0.4
173.04454	2.3
179.03537	0.3
179.05499	0.3
191.05534	1.8
199.07980	0.2
199.09682	1.4
199.11609	0.3
199.13277	1.3
218.63425	0.3
229.14539	0.4
242.02203	0.9
255.02998	0.3
269.17566	3.4
270.01852	1.3
270.17966	0.3
271.02463	0.6
275.16614	0.4
285.04111	0.6
287.05731	0.5
293.17599	2.2
298.01376	0.4
299.02084	0.7
300.16104	0.3
313.03607	4.8
314.04291	0.8
329.03372	0.4
329.06818	1.9
329.14041	0.9
329.16699	0.4
371.20752	2.3
372.21582	0.3
377.21848	0.7
389.21832	3.4
431.22763	1.0
431.27350	0.6
449.27780	0.5
476.09619	0.4
491.12222	3.0
491.24719	5.4
492.12714	0.6
492.25589	0.6
492.32138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98463	0.3
57.03314	0.5
59.01252	100.0
60.01570	1.6
61.01676	0.7
69.03327	0.5
70.84440	0.7
70.84821	0.7
71.01254	5.6
72.99199	0.4
73.02811	2.0
75.00768	0.3
83.01280	0.9
85.02826	2.9
87.00758	1.4
89.02332	1.3
92.72095	0.3
93.03363	0.3
95.01260	0.6
97.01607	0.8
97.02872	0.4
99.00769	0.8
101.02324	2.8
109.06528	0.3
111.00833	0.3
111.04381	0.6
113.02320	2.7
118.06497	0.6
118.97964	0.4
122.06020	0.6
124.07577	3.1
125.00888	0.3
125.02342	0.9
131.30392	0.4
134.06038	0.3
138.05554	0.3
143.03444	0.5
162.05569	0.9
163.34631	0.3
173.04469	0.8
178.04994	0.8
180.98534	0.3
183.13931	0.3
191.22214	0.3
202.64325	0.3
227.25349	0.3
243.15065	1.7
269.21124	0.8
271.02420	0.9
272.06995	0.5
287.09219	0.7
287.14011	12.7
287.22266	7.7
288.14417	1.5
288.22601	0.9
299.01993	1.0
300.02350	0.3
314.04370	1.4
329.06830	1.9
329.10217	0.6
329.14935	2.0
431.17947	2.3
431.26617	3.8
443.24957	0.3
449.27582	9.3
450.27875	1.1
486.48282	0.3
491.28690	23.6
492.29080	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.3
59.01251	100.0
60.01582	1.4
61.58946	0.2
63.16465	0.2
69.03323	0.3
71.01255	4.1
71.09888	0.5
72.01604	0.3
73.02834	2.0
74.98994	0.6
83.01264	0.8
83.04925	0.3
85.02829	1.4
87.00764	0.6
89.02325	2.2
93.03371	0.4
93.30386	0.2
95.01288	0.5
95.04914	0.3
99.04424	0.3
101.02330	2.9
109.02855	0.4
111.04418	0.4
113.02341	2.1
115.11620	0.2
118.97991	2.4
119.03403	1.0
122.03662	0.2
123.04433	0.6
125.02370	0.3
133.68271	0.2
135.04456	0.6
137.02361	0.3
143.03430	0.4
153.12769	0.6
155.10677	1.6
161.04503	0.8
165.09103	0.2
173.04465	1.6
189.77122	0.2
191.05624	0.9
199.09735	0.8
199.13402	0.9
225.11288	0.4
242.02309	0.5
242.37730	0.2
269.17566	1.9
270.01761	0.7
271.02457	0.6
275.16568	0.3
285.04044	0.4
293.17651	1.5
311.18518	0.4
313.03552	2.3
314.04333	0.5
329.03201	0.3
329.06824	0.7
329.13754	0.6
371.20560	2.0
389.21857	2.3
421.88226	0.2
431.23016	1.0
432.22961	0.3
491.12613	1.2
491.24896	3.9
492.13617	0.3
492.25366	0.6
492.31992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01251	100.0
60.01585	1.4
60.77798	0.3
61.98711	0.4
63.74031	0.3
70.16824	0.3
71.01247	2.8
73.02825	1.3
83.01273	0.8
85.02816	1.4
88.98695	0.7
89.02315	1.5
93.03345	0.7
95.01282	0.4
99.00800	0.6
101.02327	1.9
101.11365	0.3
104.54283	0.2
107.01244	0.4
109.02863	0.4
111.00821	0.4
113.02332	1.7
114.02673	0.3
116.70815	0.3
119.03439	0.4
121.02872	0.3
122.06041	0.7
123.04429	0.4
125.02332	2.9
135.04417	1.9
137.02406	0.4
149.02356	0.4
149.04480	0.5
151.00285	0.9
152.07083	0.8
153.01752	0.3
153.09120	1.3
155.10680	0.3
161.04491	0.9
172.05199	0.3
172.43913	0.3
173.04475	0.7
173.05931	0.4
178.99774	0.7
179.03366	0.5
191.05576	0.4
192.06619	0.9
197.08199	1.2
215.07117	0.5
243.06529	0.3
259.06085	3.4
260.06415	0.3
269.04617	0.7
283.06351	0.6
285.07703	0.6
287.05682	2.0
301.07294	0.4
327.13559	0.3
357.14648	1.2
361.93765	0.3
371.20605	0.6
389.21863	0.9
409.45267	0.3
431.22818	3.2
432.23318	0.4
463.12549	0.4
491.17963	0.5
491.24945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	1.5
61.51853	0.6
65.45898	0.5
71.01242	3.0
71.32406	1.2
73.02848	1.6
81.03348	0.7
83.01247	1.0
85.02838	1.4
87.00752	0.7
89.02346	1.7
93.03338	0.6
99.00791	0.7
101.02357	1.9
107.01303	0.7
109.02874	1.0
113.02356	2.5
122.06029	1.0
125.02323	5.4
135.04431	4.3
149.04543	0.7
149.06113	0.7
151.00281	1.3
152.07095	1.6
153.01929	0.8
153.09077	0.9
153.40268	0.6
161.04536	1.0
171.72922	0.7
172.05341	0.8
173.04518	1.4
173.05946	1.0
173.51543	0.6
177.05618	0.6
178.99806	1.0
179.03529	0.8
182.96555	0.8
191.05585	0.7
192.06540	1.4
197.08188	1.3
215.07089	1.0
245.67610	0.6
259.06094	6.8
260.06345	0.8
269.04495	0.6
271.10226	0.6
283.06293	1.3
285.07791	1.4
287.05606	3.1
320.33765	0.6
357.14749	2.2
371.20911	0.9
389.22290	0.8
420.51566	0.6
431.23004	4.0
432.23584	0.9
463.12692	0.9
463.37631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56650	0.5
57.03323	0.6
59.01261	2.3
71.52097	0.7
71.52440	0.7
74.25174	0.6
78.95773	9.6
89.18802	0.5
108.15885	0.5
113.09616	1.8
140.01141	2.9
152.99554	1.1
179.14317	1.4
181.12262	0.7
195.13850	16.2
196.03735	1.3
196.14236	1.2
214.04874	4.6
249.13849	0.5
264.82874	0.7
265.17157	0.6
277.21738	14.2
278.22079	2.2
295.22794	100.0
296.23154	10.5
444.32538	0.6
477.84042	0.6
492.27304	23.0
493.27887	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93851	0.6
57.03324	1.8
59.01252	2.5
61.98709	1.5
68.22729	0.7
78.95776	30.0
87.12023	0.7
105.08132	0.7
113.09612	3.9
122.00019	1.1
135.04492	0.8
140.01079	8.9
152.99481	2.1
167.34717	0.6
171.10146	1.2
179.14333	2.0
195.13840	19.9
196.03735	15.7
196.05557	0.8
196.14282	1.1
214.04820	3.2
254.10764	0.7
277.21698	17.2
277.24478	1.1
278.22086	2.5
293.21188	1.7
294.21619	1.8
295.22775	100.0
296.23096	12.2
301.89996	0.6
303.05307	0.6
441.46365	0.7
492.27304	54.9
493.27588	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	493.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.3
63.02262	0.4
65.00192	2.6
67.01774	0.5
71.01252	1.4
73.02825	0.4
79.01750	0.7
83.01266	1.0
85.02824	0.5
87.00760	0.4
89.02330	0.6
95.01258	1.5
98.17798	0.4
99.00755	1.0
101.02322	0.8
107.01252	1.8
107.17958	0.4
108.02048	0.6
109.02823	1.3
109.99973	2.3
111.00785	2.1
113.02312	0.9
118.98022	0.8
119.01211	0.4
119.03401	0.6
123.00756	2.9
123.04381	1.5
124.01522	1.2
125.02352	1.9
133.02876	0.6
135.00806	1.0
135.04405	3.7
136.01639	0.5
136.04739	1.8
136.98689	1.8
137.04880	0.4
137.99483	1.2
139.00273	3.0
139.03830	0.7
143.04892	0.6
147.00740	0.5
147.04413	0.4
149.02344	0.7
149.04396	0.5
151.00293	7.3
152.00864	2.4
153.00711	1.4
153.01839	1.1
155.10643	1.2
159.04398	1.0
161.02332	0.8
163.00221	2.3
163.03911	0.6
164.01018	0.7
165.01790	0.8
165.98987	2.7
166.99734	1.6
167.03418	0.8
170.03612	0.5
171.04446	2.5
174.03073	0.7
175.00311	0.6
175.03891	0.7
178.99777	2.3
179.03464	0.5
181.01334	0.7
187.03990	3.0
188.04532	0.4
189.01869	1.4
190.02646	0.4
193.98415	0.6
194.99316	0.4
197.02284	0.5
198.03175	1.0
199.03951	1.6
199.09727	0.6
200.04749	1.0
201.01830	0.6
202.02571	1.2
203.03438	2.3
206.99197	0.6
213.01854	1.4
214.02678	2.4
215.03471	7.5
216.04001	1.2
217.01256	0.9
226.02678	0.9
227.03462	1.0
230.02121	0.7
231.02963	3.4
241.01457	2.4
242.02159	6.1
243.02956	7.5
244.03571	1.3
245.00851	0.6
245.04634	0.6
246.05302	0.6
254.02109	0.6
255.02977	0.7
257.04605	2.4
258.01678	6.6
258.04556	0.6
259.02487	8.4
259.05408	0.6
260.03049	0.6
269.00900	0.8
269.04337	0.6
270.01685	5.8
271.02484	5.3
272.03207	3.8
273.03992	4.7
274.04700	1.5
285.00858	0.3
285.04047	10.8
286.01181	6.1
286.04605	2.1
287.01959	34.0
287.05554	8.7
288.02316	3.0
288.05957	3.2
289.06152	3.7
297.00281	0.6
298.01074	2.4
299.01917	3.1
300.02585	0.7
301.03525	11.0
302.04291	14.7
303.04831	2.6
310.06961	0.5
313.00137	0.7
313.03497	5.6
314.03983	1.0
315.01474	8.5
315.04861	0.7
316.02237	6.3
317.02737	0.6
329.03021	0.7
330.03809	26.3
331.04547	18.8
332.04938	1.6
343.06641	1.2
361.18658	2.1
462.07983	0.7
465.10440	0.4
475.08783	1.3
493.09872	100.0
494.10226	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57282	0.6
57.03325	0.6
59.01250	2.6
60.47446	0.6
61.42631	0.6
68.01987	0.6
71.01263	7.2
71.28856	1.0
73.02826	4.6
81.90041	0.6
83.01215	0.6
85.02847	2.1
87.04391	1.8
97.02841	1.3
101.02329	3.9
113.02331	5.1
131.03394	1.6
135.08054	1.6
137.09625	13.6
138.09950	1.1
154.77809	0.6
155.10684	100.0
156.11041	5.0
161.04462	2.2
169.12215	1.2
181.08641	7.5
199.09691	88.3
200.10042	5.7
200.94110	0.5
203.35083	0.6
213.11212	0.7
241.10808	3.7
244.75558	0.6
253.10838	2.8
271.11832	1.5
313.12909	2.6
331.13947	10.3
332.14261	1.2
361.15039	6.3
403.16034	1.7
471.60104	0.7
474.63785	0.7
493.12491	1.0
493.19214	15.1
494.19379	2.8
500.68307	0.6
507.97684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.4
59.01261	1.3
61.35910	0.2
63.47470	0.2
69.51810	1.9
71.01257	1.2
73.02814	3.3
78.42857	0.2
83.01234	0.3
85.02824	1.0
85.27087	0.3
86.64361	0.3
87.04388	1.4
89.02324	0.9
97.02866	0.2
101.02352	1.3
108.11346	0.3
113.02332	1.3
120.05818	0.2
128.02206	0.2
128.99214	0.3
131.03401	0.7
135.08028	1.4
137.09621	10.3
138.09955	0.6
155.10684	87.7
156.11012	4.6
161.04451	0.5
169.12233	0.6
170.71838	0.2
181.08594	1.1
199.09691	100.0
200.10023	6.3
213.11194	0.5
221.38809	0.2
241.10738	3.7
242.11070	0.4
301.12958	0.4
307.82339	0.3
313.13000	2.3
324.37759	0.2
331.13959	23.8
332.14307	3.3
361.15070	4.5
362.15192	0.6
373.14899	1.3
433.17026	0.5
493.19263	18.3
494.19724	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	493.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.9
58.00458	0.8
59.01251	100.0
61.98690	4.0
65.20772	0.9
69.42319	7.4
71.01255	10.9
72.99173	3.8
73.02826	6.4
74.98952	2.6
78.82133	0.8
83.01247	2.8
85.02811	4.7
87.00743	1.6
89.02324	3.9
90.98473	0.9
93.03352	3.0
95.01276	1.4
97.06507	0.8
99.00753	1.3
100.96023	0.8
101.02327	7.4
103.84496	0.7
109.02837	2.7
113.02287	4.6
118.97173	1.3
118.97980	19.3
119.03378	1.0
121.02888	1.2
123.04414	1.4
125.02331	2.4
131.04445	0.8
135.04414	4.6
137.02327	3.1
137.09628	1.3
149.02316	5.1
155.10683	21.1
161.02293	1.6
161.04462	2.6
162.05547	1.5
163.03790	1.0
164.04672	5.3
173.04530	5.5
179.03438	1.3
179.05554	1.2
179.06990	2.1
179.74683	0.8
189.05544	1.1
191.05490	2.7
193.01315	3.7
199.09689	11.3
208.03732	8.0
223.06065	22.4
224.06404	1.6
228.86967	0.8
229.18030	1.1
237.07658	1.9
241.06999	1.0
255.08684	3.6
259.05954	1.7
274.08469	2.5
289.10794	5.1
292.30948	0.9
307.19104	0.8
313.14270	1.1
331.04501	0.9
331.08240	1.2
331.09879	1.2
331.13937	15.0
331.24792	2.2
332.14359	2.2
335.17130	1.0
373.22275	8.7
374.22491	1.4
391.23129	2.6
433.23978	2.5
451.16196	6.7
493.09885	1.8
493.18640	1.3
493.24600	3.1
493.31799	8.1
494.18607	3.9
494.24356	0.9
494.31052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0793
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
51.65770	0.7
51.95648	0.7
53.05104	0.6
57.03291	0.8
59.01242	3.0
63.02262	2.2
65.00189	6.3
67.01756	1.1
68.99698	0.9
69.03296	0.8
71.01250	3.0
71.53368	0.7
71.53744	0.8
73.02800	1.3
76.29375	0.7
79.01766	1.8
83.01260	3.3
85.02814	1.0
89.02341	1.0
91.01774	0.9
93.03333	1.2
95.01251	4.6
96.99210	1.1
97.02834	1.7
99.00777	1.5
101.02314	1.9
104.99702	0.8
105.99771	0.7
106.00469	3.9
107.01278	5.7
109.02843	11.1
109.99975	2.6
111.00759	8.5
113.02336	1.3
117.03336	1.0
119.01315	0.9
119.04937	0.9
120.99173	1.8
121.02829	2.3
123.00771	7.6
123.04382	0.8
124.01545	3.0
124.98696	2.8
125.02371	3.9
129.03313	0.9
131.04921	1.1
133.02837	3.6
133.99989	0.9
135.00755	2.4
135.04405	0.8
136.01570	0.9
136.98712	1.8
137.02295	1.9
137.09612	0.9
137.99384	0.7
138.09915	1.0
139.00288	8.8
139.60028	0.7
141.01826	1.7
143.04869	2.1
145.02826	1.4
147.04427	1.6
148.01549	2.8
148.98700	1.9
149.02376	3.6
149.06053	0.8
149.99458	5.7
151.00276	14.0
151.03917	1.2
152.00980	2.8
153.01851	5.1
154.99730	1.6
155.04936	0.8
155.10660	10.9
156.11024	5.7
157.02769	1.0
157.11221	1.4
159.04417	4.3
161.02373	4.4
161.06017	1.0
163.00269	3.8
163.03899	1.1
164.01038	1.3
164.98204	1.6
165.01918	1.3
165.98956	2.2
166.99727	4.4
168.00581	4.9
169.01346	2.8
169.02843	0.7
171.04419	3.9
173.02379	2.5
174.03104	1.6
175.03928	7.9
176.01068	1.3
177.01826	1.9
177.98996	5.5
178.99774	25.1
179.03357	1.3
180.00194	1.6
181.01355	1.2
181.98454	1.2
183.02774	0.8
185.02368	1.9
186.03151	0.9
187.03934	9.8
189.01910	5.0
190.02605	2.5
191.03337	2.3
192.00566	1.9
193.01396	1.8
194.99318	3.1
195.02943	1.0
199.03958	3.4
199.09718	8.4
200.10033	5.7
201.01857	2.7
201.10008	1.1
202.02632	1.7
203.03430	8.8
204.04092	2.1
204.97754	2.8
205.01347	2.8
205.04973	1.1
205.98158	0.9
206.02098	1.2
206.99338	2.0
207.02916	2.6
208.00026	1.2
209.00800	2.1
213.01823	2.1
214.02698	1.9
215.03421	7.1
216.03827	1.0
217.01349	3.0
217.04947	1.6
219.02928	2.6
222.98824	1.7
227.03462	2.3
229.01402	3.1
230.02065	1.7
231.02971	6.6
232.00169	1.4
232.03712	11.4
233.00896	1.5
233.04491	11.8
241.01468	2.1
242.02032	1.6
243.02946	10.4
245.00864	2.6
245.04485	2.6
246.01559	1.1
247.02477	3.4
257.00928	2.0
257.30682	0.7
258.01663	2.4
259.02441	7.4
260.03110	2.5
261.00589	0.9
261.03952	4.3
269.01025	1.6
270.01608	1.5
271.02466	18.5
271.05151	1.4
272.02985	1.3
275.02090	0.8
286.01117	2.4
287.01965	31.0
288.02625	7.7
289.03510	8.9
290.03992	0.9
297.00305	4.3
298.01105	0.8
299.01984	7.7
300.02661	1.0
301.03427	1.3
303.01511	3.1
304.02148	1.6
305.02991	2.1
314.00659	2.7
315.01462	100.0
316.01801	10.1
317.03000	1.4
327.56500	0.8
331.06857	0.9
331.13873	1.3
332.01669	11.4
332.14462	1.1
333.02515	9.0
333.14740	1.8
343.06677	1.3
349.29547	0.8
355.06729	5.4
359.06204	7.0
360.06625	1.3
395.09872	13.7
396.09979	1.6
422.53311	0.8
423.09354	3.2
451.09097	4.2
462.07983	2.3
463.08688	1.0
467.08359	4.1
477.06821	6.4
494.19714	1.6
495.07806	69.3
495.19861	3.3
496.08124	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	495.0781
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
54.71185	1.5
57.42320	1.6
59.01248	10.0
60.64077	1.5
61.98687	6.5
65.00191	3.1
65.65234	1.5
69.72321	1.6
69.72701	9.4
71.01258	8.0
73.02826	2.8
75.00727	2.8
77.21322	1.6
85.02807	3.2
89.02310	5.6
95.01266	3.4
98.20522	3.4
99.00754	6.6
99.24419	1.7
101.02332	3.4
107.01279	4.1
109.02818	3.4
109.99998	8.5
111.00748	6.6
113.02357	3.2
115.00249	3.6
121.02808	1.6
123.00779	6.7
124.01568	3.7
125.02341	7.1
135.04407	3.8
137.02324	3.9
137.99486	2.9
139.00298	13.4
140.00987	1.6
141.01860	8.5
143.04854	2.3
149.02357	2.3
149.04469	2.5
151.00296	13.8
152.01004	6.8
153.01834	4.3
155.10689	14.6
156.11006	5.4
159.04433	2.9
161.02341	3.9
162.28281	1.6
163.00325	4.1
163.03937	3.1
164.01038	5.5
165.98993	11.7
166.99773	8.3
167.03386	2.3
173.04492	3.3
175.02409	2.7
175.03867	3.7
177.01837	5.7
178.99774	16.8
179.03404	2.1
180.00410	2.1
183.10164	2.7
187.03915	3.0
189.01851	3.2
190.99829	2.0
191.03392	3.2
191.05479	3.1
192.00560	2.8
194.99226	3.1
199.03810	1.9
199.09692	7.8
200.10017	4.4
201.01872	2.1
203.03453	5.7
205.01463	3.2
207.02901	3.4
214.02542	2.0
215.03421	9.6
217.01390	2.7
219.02913	5.9
221.00781	1.6
230.02074	2.3
231.02946	9.1
232.03653	2.8
241.01349	2.2
241.10802	1.7
242.02214	3.5
243.02971	9.6
245.00853	3.6
247.02399	3.4
257.00882	20.7
258.01611	5.3
259.02454	8.8
260.02759	2.0
261.00385	12.9
269.00845	2.8
270.01761	1.8
271.02466	7.0
276.33215	1.8
286.01126	3.9
287.02005	35.7
288.02643	10.4
289.03323	3.7
289.11935	3.6
297.00510	3.9
303.01443	4.3
304.02194	6.2
315.01486	58.6
316.01761	5.9
332.01730	70.6
333.02426	25.9
333.10269	2.3
334.02850	1.9
353.05170	1.6
363.16702	1.9
451.08685	3.4
477.06781	32.1
478.07196	3.9
495.07794	100.0
495.20432	8.5
496.08096	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	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.57663	0.4
60.01593	1.3
61.98697	1.0
65.03822	1.1
69.74564	2.6
71.01252	3.9
71.49709	0.4
73.02834	0.9
79.05360	0.4
83.01262	0.7
85.02834	1.7
89.02325	0.8
93.03384	0.5
97.11670	0.4
99.00799	0.4
101.02293	2.1
105.91250	0.4
107.04906	99.4
108.05231	4.4
109.02803	0.6
113.02328	1.5
119.04902	1.1
137.05911	0.7
147.92653	0.5
159.02983	0.4
161.04480	3.7
163.03935	2.2
173.04393	0.9
253.46364	0.4
273.11319	81.4
274.11658	8.6
382.36792	0.5
396.88669	0.5
495.31769	0.9
496.17273	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68157	4.2
57.03329	4.8
59.01263	33.7
61.98709	5.2
63.02275	6.3
65.00189	10.0
69.03336	5.0
69.46202	34.3
71.01257	42.2
73.02810	11.0
75.00732	6.5
83.01260	15.9
85.02803	23.3
88.47731	4.3
89.02306	13.8
93.03336	21.6
95.01289	17.0
97.02861	5.4
98.19747	4.5
99.00777	11.0
101.02325	19.4
107.01281	25.8
108.02037	5.7
109.02831	20.4
111.00761	21.6
113.02325	13.4
117.03354	5.3
121.02867	5.7
123.00780	15.6
124.01533	7.0
124.16367	4.8
125.02327	29.6
133.02869	6.7
135.00734	5.9
135.04454	12.4
136.01602	5.5
137.02313	20.8
139.00282	14.2
151.00275	55.1
152.01044	21.3
153.01836	44.1
157.01326	7.9
159.04378	7.5
161.02257	10.5
161.04372	5.0
163.00267	12.7
164.01129	7.3
165.01843	13.1
169.01314	10.4
173.04446	12.6
173.05916	5.3
175.03944	9.3
178.99771	41.8
179.03532	5.5
181.01237	6.3
185.00888	6.4
187.03833	9.1
189.01901	17.3
190.99960	6.7
191.03534	5.4
191.05505	9.2
192.00592	14.4
193.01346	21.1
194.01805	6.3
199.03973	12.6
201.05536	9.4
203.03511	11.3
205.01424	6.0
206.99294	17.9
208.00076	10.6
209.00844	16.9
211.04024	7.1
215.03439	9.2
217.01332	6.2
217.04997	15.6
219.02867	11.7
227.03455	22.6
229.01366	6.2
231.02876	13.4
233.04436	5.3
243.03038	22.9
245.00853	12.2
245.04533	14.4
247.02429	12.0
255.02951	35.6
256.03604	6.7
259.02490	14.6
261.03925	7.0
271.02530	41.7
272.03082	18.6
273.04071	31.9
281.08929	5.4
282.01743	5.5
283.02640	13.4
284.03207	19.5
284.64529	5.5
285.04037	8.9
287.02090	8.1
289.03583	30.2
299.01993	33.6
300.02646	20.0
301.03516	24.7
302.03720	7.7
316.02139	12.1
317.02994	53.9
318.03537	9.0
319.04535	14.1
343.06799	6.1
371.06039	10.0
377.07330	15.0
393.43176	5.6
447.09433	29.7
463.08914	37.5
464.08551	7.8
479.08279	14.0
497.09399	100.0
497.16266	11.1
497.27716	35.1
498.09921	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.9
60.99165	1.9
61.98709	0.7
61.99964	0.6
69.03314	2.3
70.81043	1.6
72.52624	0.5
78.95775	35.8
85.02824	7.3
86.18417	0.6
95.60722	0.5
96.96839	3.7
115.70654	0.5
150.97975	0.7
152.99489	46.2
153.99864	0.6
169.15837	0.6
171.00551	16.9
177.41988	0.6
183.17455	7.6
205.19501	3.4
209.19038	1.1
221.19041	2.6
225.05139	0.7
227.03212	0.6
245.04280	100.0
246.04626	3.6
251.20164	0.8
268.53986	0.6
269.21216	6.4
356.35925	0.6
364.62009	0.5
435.12354	2.2
450.14752	2.1
465.17279	0.9
497.19305	10.3
497.25323	13.0
498.19571	1.3
498.25708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2759
Annotation	Simplexin I
Peak:m/z	Relative Intensity
57.03316	1.0
58.00446	0.7
59.01251	100.0
61.98706	4.8
69.03333	0.8
71.01254	15.1
73.02814	4.7
83.01269	2.2
85.02813	5.8
85.03198	0.5
87.00762	1.7
89.02314	9.5
93.03383	0.8
93.35782	0.6
95.01287	1.1
97.02884	0.6
99.00805	1.2
99.04394	9.3
101.02320	10.1
113.02328	9.7
119.03371	3.5
125.02367	1.2
131.03413	1.0
135.21552	0.6
137.02388	0.9
143.03426	1.3
151.07584	1.0
153.01909	1.3
161.02365	1.3
161.04485	2.7
171.10176	0.6
173.04500	1.7
179.05554	2.0
191.05659	0.6
269.04691	1.3
296.11429	0.6
299.09369	1.6
317.20938	0.7
329.23297	1.0
335.22232	1.2
379.61810	0.6
421.19827	1.0
437.25458	5.3
438.25839	0.8
455.26572	5.4
456.26971	1.6
465.18677	1.5
497.21228	3.2
497.27859	17.8
498.27621	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	497.2757
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
55.01771	0.4
57.03323	0.9
58.00468	0.8
59.01250	100.0
60.01571	1.3
61.98705	2.5
66.67554	0.2
69.03330	1.1
71.01253	17.6
72.99184	1.4
73.02819	7.9
75.00744	0.4
76.37598	0.2
81.03378	0.3
83.01255	3.1
85.02826	3.9
86.03190	0.3
87.00750	1.4
89.02320	8.2
93.03360	0.7
95.01286	1.5
96.53502	0.3
97.02847	0.8
99.00784	0.6
99.04388	3.5
101.02323	11.2
102.02671	0.4
109.02808	0.4
113.02328	8.2
114.02705	0.3
119.03387	3.6
123.04456	0.3
125.02366	0.6
127.11179	0.3
131.03406	1.0
135.04446	0.7
135.08080	0.3
137.09663	0.3
143.03424	1.0
144.04553	0.3
145.04890	0.3
149.04494	1.1
151.07664	0.3
155.03404	0.5
161.04468	2.6
161.05705	0.4
161.13284	0.4
173.04448	1.4
179.03450	0.3
179.05589	1.1
185.00868	0.5
191.05612	0.4
203.05743	0.4
204.06519	0.6
205.12325	0.4
205.15889	0.3
212.05782	0.4
238.10704	0.4
249.11388	0.5
254.06749	0.3
267.07541	0.4
268.08368	0.4
269.08948	0.3
269.12772	0.4
271.20828	0.4
272.21072	0.4
273.21310	0.3
281.09305	0.6
282.09738	0.9
293.13977	0.4
296.11612	0.6
297.11835	1.3
313.11859	0.3
314.12262	0.5
317.21027	0.5
329.11151	0.4
329.23483	1.1
335.22195	0.3
377.20493	0.3
421.19565	2.0
437.25406	1.5
455.26627	1.1
456.26413	0.4
465.18457	1.6
479.30405	0.7
497.21265	4.6
497.27698	8.6
498.21146	0.6
498.28049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01761	0.3
57.03320	0.3
58.00471	0.5
59.01252	100.0
60.01583	1.2
61.98700	0.2
69.03337	0.6
71.01255	11.1
71.53695	0.1
72.01595	0.2
72.99184	0.7
73.02821	4.2
74.03136	0.1
75.00745	0.2
78.19681	0.1
78.95798	0.2
81.29315	0.1
83.01260	1.6
84.02071	0.1
85.02825	2.3
87.00748	0.6
89.02318	8.7
90.02689	0.2
93.03326	0.2
95.01272	0.7
95.04939	0.2
97.02824	0.3
99.00748	0.6
99.04414	0.5
101.02325	6.7
102.02671	0.2
103.03905	0.1
113.02329	5.1
114.02686	0.2
119.03394	3.3
120.03733	0.1
122.39847	0.1
125.02368	0.5
131.03401	0.6
135.08099	0.1
139.11186	0.1
143.03389	1.1
143.04401	0.1
149.04492	0.5
151.07605	0.1
155.03464	0.1
160.62334	0.1
161.02419	0.1
161.04475	1.5
161.13290	0.1
161.65125	0.1
163.07520	0.1
165.19348	0.1
165.20946	0.1
171.10255	0.3
173.04498	0.3
173.90784	0.1
179.05536	1.8
179.06938	0.1
185.00845	0.3
191.05531	0.1
203.05515	0.1
205.15968	0.1
208.03906	0.1
211.13309	0.5
229.14488	0.2
293.14178	0.1
293.21155	0.1
297.12091	0.1
313.12177	0.1
329.23355	1.1
366.79480	0.1
437.25323	0.9
438.26111	0.2
455.26239	1.1
456.26813	0.3
479.30594	0.1
497.21310	0.2
497.27377	2.1
498.27612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2759
Annotation	Simplexin I
Peak:m/z	Relative Intensity
52.89229	0.2
55.01767	0.4
56.07587	0.2
57.00388	0.2
57.03327	0.8
58.00471	0.6
59.01252	100.0
60.01578	1.2
61.98705	0.5
69.03323	0.5
70.66194	0.5
71.01254	16.6
72.99179	1.3
73.02821	4.9
75.00766	0.2
81.03330	0.3
83.01267	2.1
85.02824	4.3
87.00748	1.3
89.02322	11.2
95.01285	1.0
97.02847	0.4
98.06448	0.2
99.00776	0.6
99.04397	0.2
101.02325	9.9
101.96809	0.2
102.02671	0.4
113.02333	11.1
114.02682	0.2
119.03391	4.5
125.02353	0.7
131.03445	0.9
132.58025	0.2
137.09625	0.3
139.04059	0.2
143.03412	1.8
149.04446	0.6
155.03424	0.3
161.04462	2.2
163.07561	0.3
173.04483	0.4
179.05527	1.9
261.60138	0.2
275.20126	0.2
293.21198	0.3
317.21417	0.2
335.22400	1.5
368.76935	0.2
397.25571	0.2
437.25415	4.3
438.26016	0.4
455.26505	4.0
456.26926	0.5
497.27255	1.7
498.28262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84831	0.3
55.01756	0.5
56.05502	0.3
57.03326	1.0
59.01250	6.1
60.37424	0.3
60.99172	0.5
61.98701	5.1
65.00241	0.3
67.01763	3.8
68.02119	0.3
69.03324	2.7
69.67230	1.7
71.01253	6.2
72.99187	0.5
73.02827	1.2
74.93275	0.3
76.74246	0.3
78.95784	0.3
81.03354	0.8
83.01242	0.9
83.04910	1.5
85.02820	5.7
85.03301	0.5
87.00741	2.3
89.02306	1.3
93.03334	26.4
94.03661	0.6
95.01294	0.5
97.02829	0.7
98.19823	0.6
99.00762	1.4
99.04393	0.9
101.02318	2.9
107.04916	1.1
109.02833	1.5
111.00753	1.2
111.04411	5.6
113.02322	2.2
115.02068	0.3
115.03912	0.6
117.03326	0.5
119.03380	0.5
119.04903	2.3
121.02855	0.5
121.06457	0.4
125.02347	0.6
127.03907	1.6
129.01848	0.4
133.02820	2.1
134.03616	1.9
135.04411	55.3
136.04750	2.4
137.02342	7.4
139.07523	0.4
141.01819	0.4
143.03397	0.8
145.02841	1.3
155.03409	5.9
155.10678	0.6
161.02350	6.4
161.04478	1.0
161.05875	0.3
161.76213	0.4
162.02724	0.5
163.03911	2.9
165.61555	0.3
167.03334	0.3
173.04466	100.0
174.04832	3.6
175.03915	0.4
179.03412	61.9
179.47989	0.3
180.03786	3.1
185.00867	1.8
186.34207	0.3
191.05539	58.2
192.05846	2.2
203.03427	2.2
245.08281	0.3
251.12955	0.4
255.06570	0.6
274.07684	0.4
295.15305	0.4
299.05673	1.1
300.02295	0.4
319.08228	0.5
319.22806	0.5
335.07669	1.3
337.09323	9.0
338.09616	1.0
353.08752	83.6
354.09076	8.9
418.12692	0.3
493.25064	0.4
499.12656	4.4
499.20474	0.6
499.29202	1.2
500.12936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32509	0.4
57.03325	0.6
59.01253	2.2
63.96096	0.5
64.05442	0.5
69.03315	1.2
70.67812	0.4
71.01259	7.7
73.02818	2.0
77.34344	0.4
78.98461	6.2
79.95604	10.9
80.96389	63.4
81.03329	0.7
83.01287	0.6
84.86511	0.4
85.02823	3.6
87.00755	2.7
92.06753	0.4
93.03319	0.7
94.97960	14.8
96.95885	0.9
97.02813	1.8
98.19760	1.1
98.81199	0.5
99.00775	0.5
101.02324	3.0
106.97966	3.3
113.02350	0.6
122.97470	3.2
125.02367	2.5
127.03918	1.3
131.65854	0.4
134.97487	5.0
135.04414	0.7
136.99051	1.6
137.09637	0.8
139.00267	0.6
148.99054	6.3
152.98538	5.7
155.10687	7.6
157.01358	0.5
161.02338	0.5
161.04497	0.5
164.98543	14.9
165.98871	0.6
166.99994	0.5
173.04457	2.2
187.03906	0.4
187.07579	0.6
191.05495	1.3
199.09618	1.8
206.99597	3.0
209.00932	0.4
225.00684	21.9
226.00978	0.6
273.13477	0.7
299.04401	3.9
499.14911	100.0
500.15201	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	499.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.8
63.57803	0.4
68.82929	0.5
70.62253	0.6
71.01254	1.2
79.05431	0.4
101.02319	0.8
108.02064	1.9
109.02856	0.6
113.02305	0.6
119.38710	0.3
121.02795	0.5
136.01556	2.3
137.02333	1.1
150.03131	0.5
151.03908	0.9
167.04909	0.5
169.06532	0.8
171.08075	1.2
173.05998	0.4
180.05737	1.7
181.06470	0.5
189.00995	0.3
195.04436	10.0
196.05136	2.0
197.06006	5.3
198.06534	0.5
199.07558	1.2
201.05460	1.1
208.05197	0.5
209.05983	1.9
211.03963	8.8
212.04553	1.5
213.05504	1.2
214.06242	1.1
215.07114	1.9
223.03963	7.1
224.04736	22.1
225.05484	13.1
226.06128	1.6
227.07199	0.6
229.08728	2.0
238.06329	7.9
239.06966	1.2
240.07861	1.8
241.05046	1.4
242.05797	1.7
243.06598	8.7
243.09140	0.6
243.10262	0.9
244.06950	1.1
256.07147	0.7
257.08163	10.8
257.10687	0.7
258.08807	2.5
271.07602	0.7
272.10577	0.8
289.08707	0.5
299.07114	0.6
300.07913	1.2
310.15320	0.4
315.06427	0.6
316.07455	0.5
317.08188	3.0
328.07303	0.9
329.08014	0.5
331.06174	0.8
344.06943	0.8
345.07678	8.6
346.08109	0.9
359.09222	2.8
363.08838	0.5
435.12347	1.4
449.13837	0.6
466.13968	3.6
467.14880	3.3
481.16568	100.0
482.16931	18.1
499.17813	3.8
500.17801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1769
Annotation	Euchretin E
Peak:m/z	Relative Intensity
59.01250	13.9
61.98704	1.3
69.03322	1.0
71.01257	4.9
71.51362	0.9
71.51788	1.6
73.02840	1.5
74.99606	0.8
77.24615	0.7
80.45560	0.8
85.02846	0.9
86.41653	0.8
89.02302	1.7
93.03359	0.9
101.02309	2.5
107.90119	0.9
109.02823	1.2
113.02321	1.9
114.22559	1.0
119.04983	1.0
120.45155	0.9
124.10217	0.8
125.02299	2.3
137.02328	4.7
150.03065	1.1
161.02386	1.1
165.01854	6.0
179.03453	1.6
195.04436	8.9
196.05038	2.0
199.09790	1.0
211.03871	2.0
223.03912	5.6
224.04663	5.8
225.05458	3.1
246.35497	0.9
287.05704	2.6
288.06317	2.2
289.08551	2.8
295.22824	1.0
300.04266	0.9
315.06702	4.9
316.07288	1.0
327.06738	1.2
330.05396	3.6
331.05927	1.3
343.06131	3.1
344.06860	2.4
345.07413	2.6
358.08459	7.1
359.09152	5.2
373.10831	1.8
405.11328	2.5
423.12112	2.8
432.09729	0.9
433.11005	4.0
434.11493	2.5
438.14984	0.9
448.13107	4.6
449.13861	2.3
450.14554	1.0
451.11841	4.5
457.28098	1.3
463.15466	1.2
465.13321	1.8
466.14169	17.1
467.14514	3.5
481.16580	100.0
482.16949	20.4
499.17676	20.6
499.28391	4.1
500.18234	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	499.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38647	0.6
59.01252	69.7
60.01563	0.8
60.99182	0.9
69.95407	0.6
71.51361	1.0
77.35752	0.7
78.95326	0.6
78.95773	11.0
96.96819	0.8
114.97369	0.6
152.99516	11.1
171.00552	3.8
198.06528	0.7
225.05551	1.3
226.06184	1.6
227.03230	1.7
241.08665	4.1
245.04265	6.8
255.10425	0.9
257.11563	0.7
271.22784	100.0
272.23077	10.2
499.20718	2.0
499.26920	28.3
500.27414	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	501.2133
Annotation	Guanepolide
Peak:m/z	Relative Intensity
55.01759	2.8
57.03328	4.1
58.00467	1.6
59.01253	100.0
60.01600	1.4
62.82905	0.5
64.02919	0.6
67.96457	0.5
69.03336	2.0
71.01255	57.4
71.04891	1.1
71.53341	0.8
71.53699	0.8
72.01594	1.0
72.99182	3.9
73.02821	22.2
75.00740	0.9
80.09692	0.5
80.10181	0.6
81.03344	1.6
83.01261	7.7
83.04894	4.6
85.02827	19.2
85.99972	0.9
86.03204	0.7
86.13228	0.5
87.00771	4.1
89.02319	25.6
91.96026	0.6
92.78024	0.5
93.03345	2.1
93.22261	0.5
95.01256	6.8
95.01746	0.6
97.02870	1.9
99.00744	3.8
99.04430	1.5
101.02325	32.1
101.06010	0.6
102.02670	0.5
106.04136	6.2
108.02058	3.2
111.00777	0.8
112.01515	0.7
113.02334	27.5
114.02671	0.8
119.03399	9.9
119.04927	2.4
124.01616	1.0
125.02338	1.5
131.03429	1.8
132.04497	1.1
132.05739	4.5
135.04442	0.7
138.03165	0.8
139.07585	3.5
143.03401	3.3
147.08066	1.3
149.04532	2.6
149.05948	3.4
152.07002	0.5
155.03525	0.8
158.07289	2.6
158.11795	1.0
161.04468	3.6
171.08121	0.8
173.04507	0.8
173.09642	8.4
179.03656	0.6
179.05595	1.8
181.12277	3.2
181.61035	0.6
191.03461	1.1
191.05478	0.7
191.10712	12.0
192.11064	0.8
192.21460	0.5
193.06592	0.9
209.94356	0.6
224.12994	1.0
243.19731	0.9
279.10806	1.5
279.13892	29.9
280.14270	3.5
296.58679	0.6
297.07767	1.1
297.12000	0.8
297.15033	14.4
298.15363	2.0
350.14639	1.2
404.19583	1.5
441.19180	66.6
442.19473	11.9
459.20258	43.3
460.20590	7.5
484.25757	0.7
501.21506	7.5
501.30716	3.5
502.26630	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2129
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
57.03306	3.7
59.01249	99.2
60.01579	1.6
61.98679	2.7
69.03319	2.3
71.00900	1.4
71.01256	16.1
71.04877	1.3
73.02821	4.9
75.00758	1.2
81.03311	2.3
83.01269	6.9
83.04870	2.0
85.02829	7.7
87.00737	1.7
87.04379	1.4
89.02322	6.0
93.03345	2.2
95.01247	2.3
95.04890	3.3
97.02824	8.9
99.00725	1.8
99.04382	1.5
101.02323	8.2
107.04914	1.8
108.02033	1.9
109.02146	1.8
109.02837	23.8
110.03144	1.5
112.68055	1.1
113.02339	6.8
119.03407	1.2
119.04884	1.3
121.02827	4.9
122.02275	1.1
122.03593	1.2
123.04411	19.5
125.02340	17.4
132.05704	1.4
135.04401	3.4
137.02354	15.5
139.03915	5.1
141.14494	1.0
145.02838	3.0
146.03641	1.4
147.04387	1.2
149.02351	8.2
149.05930	1.6
151.03905	8.2
159.04408	4.8
160.05138	1.8
161.02359	3.6
161.04559	2.0
161.05954	8.4
162.03110	2.4
163.03877	1.4
164.01025	4.1
165.01843	6.1
165.12776	1.0
167.03403	2.9
173.04424	1.4
173.05899	1.6
175.03897	4.3
175.07584	2.1
179.03432	8.7
185.05977	1.3
187.03954	6.7
188.04718	5.9
191.05576	1.5
191.10648	3.8
202.06258	1.8
203.07027	20.6
204.07503	1.2
205.05005	14.5
217.04929	1.3
221.08185	3.7
227.07071	1.7
229.04701	1.0
230.05748	1.7
231.02950	2.2
233.15506	1.0
245.08160	26.6
246.08507	2.2
247.06033	2.5
271.06122	1.4
289.07166	100.0
290.07516	9.3
297.14877	10.8
298.15366	1.5
339.25317	1.0
349.16452	3.6
357.26498	1.6
357.69666	1.0
413.19760	1.2
457.18109	7.7
458.19080	1.2
483.20096	4.2
501.14172	1.8
501.21268	50.4
501.30496	7.7
502.21466	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	501.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.1
59.01249	100.0
70.71264	7.6
71.01259	21.5
73.02804	8.8
83.01260	2.8
85.02814	11.5
89.02307	11.1
93.03320	3.1
99.00764	3.1
101.02315	8.8
111.22048	2.3
113.02287	11.8
119.03389	3.7
129.01839	2.9
135.04434	2.6
149.47195	2.7
150.45573	2.5
161.04446	4.1
173.04417	6.9
191.01768	3.3
191.03432	2.5
191.05414	5.2
191.10638	4.3
233.04488	8.0
243.12225	2.4
297.14938	5.4
339.08774	5.1
502.26535	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60569	0.3
55.01755	0.3
57.03326	1.0
59.01252	100.0
60.01591	1.6
61.98705	1.5
69.03340	0.4
69.23368	2.4
69.23801	1.2
71.01257	5.8
72.99187	0.5
73.02826	1.9
75.00759	0.5
81.03353	0.6
83.01263	0.9
83.02380	0.4
83.04910	1.4
85.02827	3.3
87.00755	0.7
89.02339	1.6
91.21950	0.4
93.03341	0.7
95.01308	0.6
97.02864	0.5
97.06478	0.9
98.20538	0.7
99.00758	0.9
99.04402	1.1
101.02328	2.4
111.04453	0.6
113.02363	3.0
114.16129	0.4
119.03401	0.9
119.04944	0.4
121.02818	0.4
123.04404	0.4
125.02356	1.5
127.11246	0.5
135.04422	0.5
137.02339	0.7
141.01854	0.5
141.09148	0.5
143.03450	0.5
155.10707	0.6
161.04483	1.2
173.04500	1.6
177.12415	0.4
189.09396	0.4
191.03244	0.4
191.05562	1.1
237.14868	0.4
243.95496	0.4
269.64050	0.4
289.07236	0.4
297.07697	0.4
297.17267	0.9
339.25647	0.7
357.26508	0.7
441.19424	1.2
459.29971	0.7
484.17303	0.5
501.30579	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	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01582	1.4
69.03332	0.6
71.01250	1.6
73.02829	0.4
83.01282	0.3
85.02847	0.7
88.21907	0.2
89.02318	0.5
97.02856	0.3
98.20623	0.4
101.02346	1.1
107.10399	0.2
113.02318	1.0
113.56950	0.2
119.03376	0.4
131.03427	0.3
159.05447	0.2
161.04526	0.7
185.00876	0.4
242.42970	0.2
245.08383	0.2
281.62634	0.2
289.07333	0.4
312.87640	0.2
345.81161	0.2
399.24069	0.8
406.00916	0.2
441.25482	0.4
501.21640	0.2
501.30917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07505	0.3
58.88860	0.4
59.01253	100.0
59.19684	0.3
60.01591	1.1
67.09929	0.3
69.03316	0.4
71.01257	3.4
71.52678	0.3
71.53123	0.4
73.02821	2.7
83.01277	1.2
84.54894	0.3
85.02843	0.7
89.02306	0.7
101.02327	3.4
113.02326	2.2
119.03455	0.5
133.41164	0.3
143.03439	0.6
149.04518	0.3
161.00807	0.3
161.04515	0.9
177.40140	0.4
287.07358	0.8
299.01758	0.4
357.26434	0.4
403.61334	0.5
494.99667	0.3
501.18747	0.7
501.31113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.27767	0.3
60.01585	1.3
69.33282	2.3
71.01260	2.5
73.02811	1.3
79.69642	0.3
80.35097	0.3
83.01251	0.4
85.02826	1.2
87.00755	0.4
89.02342	1.1
93.03365	0.5
98.20623	0.5
99.00828	0.3
99.04420	0.4
101.02316	1.7
113.02353	1.4
113.21371	0.3
119.03393	0.5
121.02896	0.3
122.02384	0.5
135.04437	0.3
143.04587	0.4
155.10660	1.4
157.08617	0.3
161.04533	0.6
173.04515	0.9
179.03406	0.3
191.05598	0.6
199.09732	0.7
253.14558	0.5
279.16251	0.4
288.42535	0.3
385.14377	0.3
404.25421	0.3
501.16458	1.8
501.31326	0.6
502.16336	0.3
512.19196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
55.38594	0.2
57.03310	0.7
57.73470	0.2
58.83736	0.2
59.01250	100.0
60.01583	1.0
69.03315	0.4
70.48322	0.4
71.01252	4.0
71.01620	0.3
71.04917	0.3
73.02828	1.3
75.00739	0.2
83.01263	0.9
84.10958	0.2
85.02812	2.0
87.00787	0.4
89.02335	1.0
93.03346	0.4
95.01270	0.8
97.02871	0.3
99.00758	0.4
101.02322	2.4
113.02326	2.9
113.05923	0.2
119.03432	0.4
125.02325	0.2
135.04404	0.3
137.09605	0.2
143.03397	0.3
155.03419	0.2
161.04428	1.3
173.04483	0.6
185.00842	0.3
191.05518	0.5
212.90559	0.2
283.49097	0.2
357.26392	0.3
361.22440	0.2
501.30771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.6
57.03314	3.6
58.00461	2.2
59.01250	46.1
59.03127	0.9
60.01549	0.8
62.75249	0.7
69.03311	2.5
71.01253	37.7
71.04897	1.7
71.53338	1.4
72.01585	1.0
72.06010	0.8
72.99169	3.0
73.02817	6.6
81.03325	2.1
83.01257	5.7
83.04903	10.5
83.51089	0.7
85.02351	1.4
85.02823	16.9
87.00733	2.8
87.04363	0.8
89.02313	16.1
91.03572	0.8
93.03326	1.9
95.01272	5.3
95.04914	1.4
96.08060	0.9
96.95879	1.0
97.02824	1.7
99.00743	3.8
101.02321	24.4
109.06440	0.8
111.00758	1.5
113.02328	22.1
114.02655	1.2
115.07526	2.0
119.03383	6.0
119.04884	1.3
125.02319	3.1
127.03840	0.8
137.09604	1.9
139.07552	18.2
139.11119	1.3
143.03401	1.3
151.00151	1.1
153.12807	1.2
155.10629	3.2
156.10167	2.0
158.11757	6.1
159.02864	1.7
161.04457	5.1
173.04387	4.2
176.64778	0.7
180.13834	2.5
181.12257	11.3
183.10060	1.2
185.15346	0.8
191.05533	1.6
191.10606	1.6
192.10963	1.7
199.09598	1.3
206.11816	1.0
216.08119	0.9
224.12831	4.8
297.15054	2.0
298.08051	1.0
298.15265	4.8
322.20007	1.1
359.27957	3.4
377.10248	2.4
404.19250	9.0
405.19272	1.1
441.13297	1.0
484.25531	2.8
502.26428	100.0
503.26669	15.1
503.32251	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	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53654	0.2
59.01251	1.3
59.98386	0.1
65.74466	0.1
71.01250	0.5
71.52049	0.3
78.95776	26.3
83.04906	0.3
96.96825	0.3
122.90340	0.2
122.98404	0.3
127.07573	0.2
130.93979	0.2
150.97882	0.1
152.99500	3.1
168.04228	3.9
194.05751	0.2
197.87674	0.2
205.19376	0.2
213.02342	0.2
224.06885	11.8
225.07167	0.4
231.21141	0.4
233.22720	0.4
235.09796	0.1
242.07962	3.1
244.32477	0.2
245.04239	0.7
250.03316	0.2
259.20731	0.3
275.20169	0.7
277.21716	100.0
278.22064	10.4
295.78281	0.2
410.77646	0.2
502.29410	24.6
503.22668	0.2
503.29742	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	502.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.0
59.01248	1.1
59.98383	0.1
62.96266	0.1
70.04259	0.2
71.01244	0.3
78.95773	8.0
83.04900	0.2
96.96824	0.1
97.06479	0.1
99.04388	0.1
113.05968	0.1
123.61289	0.0
127.07549	0.2
131.89325	0.0
141.09129	0.1
152.99498	0.8
154.09953	0.0
163.14995	0.0
168.04230	2.1
170.65915	0.0
171.00577	0.1
182.12820	0.0
183.13766	0.0
197.11813	0.0
205.19553	0.1
206.19818	0.1
221.42641	0.0
224.06876	1.3
225.07202	0.1
233.22717	0.3
242.07954	3.6
243.08301	0.2
259.20636	0.5
260.20816	0.0
275.20084	0.4
276.20511	0.1
277.21701	100.0
278.22037	10.9
502.29395	6.1
503.29691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.7
59.01254	42.0
61.52729	2.9
63.36222	3.3
69.53728	2.7
69.54041	21.8
71.01256	24.1
73.02821	11.2
80.24838	3.5
85.02826	11.9
85.58840	3.0
89.02326	19.3
93.03337	13.3
101.02332	13.7
111.04462	3.4
113.02316	7.6
135.04395	39.8
137.02344	3.8
149.04466	21.9
153.01889	5.1
155.03342	3.9
160.26753	2.8
161.02342	12.1
161.04402	3.4
167.03368	4.3
173.04471	76.4
179.03421	45.1
179.05060	3.3
179.05623	2.9
180.03725	4.8
191.05534	82.3
192.05843	3.4
193.12256	9.0
238.08684	2.7
242.65744	3.2
303.04956	4.0
337.03461	2.9
341.08755	6.6
353.08752	65.5
354.09116	8.1
355.17371	4.7
375.90738	3.2
383.09686	4.2
417.17633	13.4
459.18707	100.0
460.19235	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1561
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
57.03325	0.5
59.01257	7.9
64.36622	0.4
69.03327	2.9
69.30540	3.5
71.01255	5.8
72.99176	0.5
73.02797	1.0
75.00719	0.5
83.01237	0.8
85.02825	2.0
87.00770	0.8
89.02317	1.9
93.03338	14.6
96.99193	3.6
97.02817	0.9
97.53193	0.4
99.00759	1.6
101.02330	2.0
103.23942	0.4
106.04141	0.5
106.40510	0.4
107.01283	0.5
108.02070	0.5
113.02296	1.1
115.00263	1.9
117.03355	1.5
119.04913	13.5
120.05238	0.5
121.02825	0.9
123.04403	1.5
125.02367	0.6
130.04138	4.5
130.08632	1.3
131.03342	0.6
131.04944	4.2
132.02089	0.5
132.05728	4.5
133.02866	1.1
134.03638	1.1
135.04393	2.0
137.09564	0.6
138.45782	0.4
143.04948	4.2
145.02840	1.0
145.06520	2.2
149.04454	1.3
151.00275	1.2
155.03375	0.6
155.10706	2.1
158.03612	1.3
161.02354	1.1
163.00275	0.4
163.03908	4.3
167.03442	1.2
171.04425	1.5
173.04445	2.2
173.05983	1.2
176.04774	1.0
177.05423	2.3
178.99751	0.4
179.03394	1.3
183.04385	0.5
185.00893	2.0
191.05508	1.2
199.09714	1.2
202.02638	1.2
210.06807	21.0
211.07228	1.9
211.08949	0.5
215.03482	0.5
217.04930	0.6
221.06134	0.5
222.06828	1.1
223.07571	1.2
225.09138	10.3
226.09354	0.6
234.06856	1.4
235.07628	7.3
236.08388	30.9
237.09068	8.2
238.09950	17.5
238.12401	0.7
239.10423	1.9
241.01231	0.5
247.87924	0.4
249.05522	0.5
249.09151	1.5
250.09618	0.5
251.10747	19.9
252.11154	2.5
253.12291	10.0
254.12608	0.6
255.03058	0.7
262.06403	0.6
263.07089	8.5
264.07892	7.7
270.01489	0.5
271.02386	0.9
278.09439	1.6
279.10269	14.2
280.10565	1.0
283.02490	0.6
292.08145	0.8
297.11334	1.2
299.01996	1.5
300.02832	0.4
301.03439	0.9
317.12280	0.5
322.08331	1.9
323.09229	3.5
324.05273	0.7
329.58047	0.4
337.07126	0.8
341.02994	1.3
341.10226	2.9
342.10211	0.6
470.12607	0.6
503.15579	100.0
504.16269	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.5
57.03326	2.8
59.01250	100.0
71.01251	28.3
71.52621	3.3
72.99168	2.4
73.02819	19.0
83.01251	8.2
85.02823	16.4
89.02332	8.6
89.89660	2.1
97.02830	3.4
99.00733	3.6
101.02323	22.0
109.02846	2.4
113.02359	8.8
119.03394	2.7
119.04842	2.8
121.06455	2.3
124.05155	2.7
125.02335	3.8
135.04424	3.8
137.02327	2.6
137.05994	4.0
139.07539	10.5
149.09666	2.0
161.04434	6.7
168.07860	5.5
173.04478	4.5
191.05540	3.5
191.10713	7.2
193.12302	26.4
199.95580	2.1
203.10585	3.7
207.10132	3.8
209.11746	5.3
221.11780	3.9
239.12857	6.0
275.54974	2.3
276.56058	2.1
287.91049	2.0
337.16501	19.1
355.17599	36.5
356.17877	4.2
373.18567	7.4
383.17047	4.1
417.17514	3.7
443.19223	3.2
459.18546	28.6
460.18710	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.1
57.03325	2.2
58.00449	1.2
59.01249	68.1
62.86571	1.3
70.54268	4.0
71.01251	24.3
72.99161	2.4
73.02822	10.9
83.01249	4.5
85.02811	12.0
88.02750	1.3
89.02332	8.8
97.02876	1.2
99.00776	2.3
101.02321	18.4
113.02316	9.3
119.03386	3.9
121.61001	1.5
124.05180	1.4
125.05945	2.2
130.90208	1.3
160.91928	1.2
170.19305	1.2
175.11093	2.8
178.14415	1.5
191.05594	1.6
193.12268	14.3
193.56026	1.3
211.13271	2.5
216.21539	1.4
224.56856	1.3
237.11342	2.9
308.64639	1.3
337.16483	2.6
355.17523	6.4
373.18893	2.2
417.17761	14.5
418.17664	1.4
459.18710	100.0
460.19144	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43785	3.3
54.66085	2.4
56.22276	2.7
57.03304	3.7
59.01252	100.0
63.86844	2.5
64.55402	2.5
65.58144	2.7
69.03329	2.4
71.01261	26.9
71.52662	4.2
73.02831	25.1
83.01260	7.1
85.02834	7.4
87.00749	4.0
89.02313	8.9
101.02326	19.8
113.02323	15.5
124.05181	8.6
125.74815	2.6
132.04483	2.8
137.05991	5.5
139.07549	59.5
149.09650	3.9
156.55977	2.5
161.04437	9.9
168.07834	24.8
173.04515	5.3
191.05632	3.0
191.10674	24.5
203.05614	2.9
203.10690	4.7
209.11856	15.0
221.11778	17.8
234.21184	2.9
239.12938	24.3
353.15878	5.1
383.17191	17.1
443.19321	14.7
459.18942	25.8
460.19003	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	503.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
61.98688	1.1
71.52517	1.2
73.06342	0.9
75.05293	0.9
78.95778	45.3
84.40464	1.1
88.12134	1.2
88.16100	0.9
96.96835	3.0
106.03162	1.1
144.74197	0.9
152.99493	55.2
153.99838	1.1
171.00558	19.9
227.03180	2.1
231.21140	31.2
232.21506	3.1
245.04297	100.0
246.04654	3.8
275.20157	43.6
276.20462	5.2
373.62473	1.1
397.89188	1.0
475.88525	1.1
503.08823	1.4
503.24149	21.9
504.24310	3.8
514.60962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09003	2.6
59.01249	100.0
63.37180	2.3
69.29551	18.4
71.01260	21.7
73.02818	9.0
80.40235	2.0
85.02815	11.5
89.02306	5.6
93.03326	4.5
95.01282	3.4
97.02813	3.2
99.00752	3.0
101.02332	8.4
113.02332	12.5
117.42989	2.4
122.02391	2.8
125.02288	2.8
155.10646	3.9
161.04453	5.6
164.01050	2.3
173.04492	4.0
191.05524	5.6
200.37456	2.4
255.15919	4.0
284.07141	2.5
299.01874	2.7
300.02692	2.8
341.02948	3.1
366.47470	2.5
386.10745	3.4
399.23972	13.3
417.24741	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	504.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89759	0.1
59.01259	0.6
61.09249	0.1
62.96280	0.2
71.19376	0.2
78.95778	24.8
83.04895	0.1
92.50643	0.1
96.96824	0.4
112.42641	0.1
132.23160	0.1
134.98396	0.2
152.99492	5.0
157.24373	0.1
168.04233	3.5
168.05670	0.2
169.04498	0.1
171.00587	0.2
179.66414	0.1
194.05673	0.1
224.06894	9.6
225.07201	0.4
227.03262	0.5
242.07947	2.3
243.02940	0.2
243.08383	0.1
255.03050	0.2
261.22232	0.5
271.02539	0.5
277.21729	7.5
279.23288	100.0
280.23636	11.6
300.02698	0.8
301.03519	0.4
330.81985	0.1
504.30960	23.7
505.10123	0.6
505.25494	4.0
505.31476	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	504.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55032	0.0
51.86219	0.0
58.00235	0.0
58.00486	0.0
59.01253	0.5
61.35450	0.0
71.01263	0.1
71.51634	0.0
78.95776	6.9
82.54079	0.0
83.04903	0.1
96.96851	0.1
97.06503	0.1
152.99498	1.0
167.54201	0.0
168.04227	1.7
169.04503	0.0
171.00526	0.1
198.83502	0.0
224.06898	1.1
225.07231	0.1
227.03180	0.1
242.07950	3.0
243.08237	0.1
245.04373	0.1
261.22266	0.4
262.22607	0.0
271.02606	0.1
277.21738	2.2
279.23276	100.0
280.23608	11.7
280.29947	0.1
291.38721	0.0
300.02673	0.1
301.03564	0.1
504.30948	6.0
505.09982	0.1
505.25412	0.5
505.31427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11336	0.2
58.95314	0.1
59.01254	0.2
63.02273	0.7
65.00191	1.7
67.02423	0.2
69.27524	0.6
69.27937	0.7
83.01266	1.0
91.01772	0.4
93.03336	0.3
102.24472	0.2
107.01269	3.6
107.01964	0.3
108.02068	2.0
109.02836	2.2
117.42881	0.1
119.01248	0.5
121.02843	2.2
122.03201	0.2
123.00788	0.2
124.01563	0.5
125.02230	0.2
126.69719	0.1
135.00778	1.7
147.00697	0.1
148.01576	2.3
149.02322	0.6
151.00279	12.4
152.00690	0.6
153.01788	0.3
154.26102	0.1
155.04967	0.2
155.10794	0.2
159.04416	0.6
161.02309	0.3
161.06099	0.1
163.00291	3.4
164.01065	1.0
165.01834	0.4
169.01352	0.5
171.04488	0.2
172.05081	0.1
173.06071	0.2
174.03137	0.3
175.03943	0.4
178.99786	5.7
180.00200	0.4
183.04437	0.7
185.02391	0.2
185.06030	0.2
187.04028	0.8
189.05409	0.2
190.02682	0.2
190.99846	0.5
192.00581	0.6
193.01448	0.2
198.03195	0.6
199.03972	1.7
200.04492	0.3
201.01967	0.4
201.05547	0.6
202.02525	0.2
203.03426	0.7
211.03972	1.8
213.01889	0.5
214.02629	0.2
215.03429	1.1
216.04208	0.8
226.02650	2.5
227.03452	5.1
228.03955	0.7
229.01428	0.3
229.04945	0.8
239.03494	0.3
243.02975	16.5
244.03397	1.5
245.04518	1.5
254.02177	3.3
255.02975	33.6
256.03357	3.1
257.04678	0.2
271.02484	81.0
272.02914	8.5
273.03961	1.3
283.02512	1.3
284.03143	0.3
299.01978	1.7
300.02747	100.0
301.03436	41.5
302.03845	3.1
343.04474	0.4
346.29294	0.2
359.09961	0.2
445.07867	0.3
463.08835	2.7
464.09048	0.4
482.11572	0.2
505.09882	43.7
506.10217	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94309	0.3
51.64260	0.4
53.71960	0.3
58.99984	0.4
59.01249	1.0
63.02266	0.4
65.00188	1.4
69.59686	2.4
83.01258	1.1
85.02829	1.4
89.02296	0.4
91.01790	0.5
98.20441	0.7
100.18001	0.4
101.11671	0.3
107.01270	3.5
108.02074	1.5
109.02844	1.8
119.01222	0.3
120.02151	0.4
121.02836	2.4
123.00817	0.4
128.80907	0.4
129.01810	0.6
135.00778	1.4
135.04399	0.5
137.02226	0.5
147.00861	0.3
148.01587	1.9
151.00261	12.3
152.00803	0.6
163.00301	2.7
164.01025	0.8
169.01349	0.3
178.99794	6.4
183.04442	0.8
185.06084	0.4
187.03976	0.4
190.99805	0.5
192.00517	0.8
193.01369	0.4
199.03958	1.2
203.03473	0.8
211.03946	1.4
212.04582	0.4
213.01740	0.4
215.03363	0.9
216.04147	0.5
226.00688	0.4
226.02702	1.5
227.03436	3.0
228.03848	0.8
229.05040	0.9
239.03473	0.4
243.02971	13.7
244.03413	1.5
245.04456	1.1
254.02225	2.0
255.02957	30.7
256.03302	2.6
257.04562	0.4
271.02463	64.3
272.02875	7.0
273.03946	1.5
283.02341	1.7
284.02939	0.4
299.01950	3.0
300.02728	100.0
301.03439	54.7
302.03891	4.5
325.05350	0.5
359.10010	0.6
395.77118	0.4
445.07788	2.9
446.07669	0.5
463.08887	2.5
464.09027	0.8
505.09879	59.8
506.10226	10.6
506.17752	0.8
530.39740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07034	0.7
62.27543	0.7
65.00198	1.8
69.47852	3.6
69.48266	1.3
74.11701	0.6
91.01764	0.8
96.51233	0.7
107.01266	3.4
108.02042	1.9
109.02808	2.0
121.02885	1.5
135.00780	0.9
148.01532	1.4
151.00256	10.1
152.00601	0.7
163.00298	3.5
164.01089	0.8
178.99738	5.3
180.36180	0.8
183.04456	1.3
187.03864	1.2
190.99892	0.8
198.03174	1.1
199.03944	1.0
201.05426	0.8
202.20076	0.8
211.03793	0.9
226.02641	4.1
227.03477	4.9
229.05130	0.9
243.02977	18.3
244.03384	2.2
245.04550	1.6
254.02234	5.5
255.02957	30.9
256.03351	3.1
264.06308	0.7
271.02466	88.6
272.02841	9.3
273.03998	1.2
283.02469	1.4
299.02216	1.2
300.02734	100.0
301.03397	44.3
302.03845	2.9
321.19794	0.7
463.09015	1.7
490.07385	0.8
505.09866	66.8
506.10126	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	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33162	0.2
54.12346	0.3
55.16435	0.2
59.01219	0.4
62.47866	0.2
65.00195	1.1
66.18973	0.2
69.27474	1.6
69.27901	0.9
78.32737	0.3
83.01262	0.6
86.53920	0.2
95.69010	0.3
100.03444	0.3
105.27134	0.2
107.01260	1.3
108.02047	0.8
109.02828	0.7
121.02818	0.7
135.00757	0.9
146.72353	0.3
146.73560	0.3
147.00772	0.3
148.01546	1.2
151.00269	7.1
153.01848	0.3
163.00269	1.3
164.01071	0.7
169.01279	0.4
178.99776	3.5
180.00156	0.4
183.04375	0.4
190.99721	0.4
199.03894	0.5
203.03467	0.3
211.03944	0.5
216.04199	0.3
226.02693	1.8
227.03455	2.4
229.05019	0.3
243.02946	9.7
244.03494	0.9
245.04445	0.5
254.02170	2.5
255.02954	22.9
256.03299	1.9
271.02466	54.3
272.02924	7.0
273.03964	0.8
283.02481	0.7
299.01944	1.4
300.02731	100.0
301.03369	25.6
302.03827	1.6
427.82895	0.3
445.07782	5.4
446.08038	0.5
463.08911	0.6
505.09879	40.6
506.10138	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	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00746	0.2
59.01262	0.5
61.63951	0.2
69.40124	1.7
93.03317	0.2
98.19698	0.3
105.97348	0.2
121.02848	100.0
122.03175	3.9
127.01274	0.2
151.00253	0.4
169.49376	0.2
180.05719	0.5
181.06519	3.6
197.06013	2.8
207.04468	1.4
207.08040	0.4
223.03954	0.4
225.05525	2.0
243.02936	0.8
251.07109	0.4
255.02971	1.4
257.09680	0.7
271.02536	3.0
285.09323	0.4
295.06079	0.3
300.02740	4.6
300.06107	0.3
301.03500	1.9
301.08939	0.3
313.07196	5.8
314.07483	0.5
357.06152	1.0
373.10748	0.3
383.07806	1.0
417.09772	9.5
418.10007	1.8
433.09198	0.3
461.12393	0.4
505.11130	9.1
506.11752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01251	6.7
65.00198	0.7
69.03341	0.6
69.35265	0.4
70.82379	1.2
71.01254	4.8
73.02816	1.0
74.02340	0.7
80.32858	0.4
81.03329	3.9
83.01272	2.0
85.02838	2.8
87.00748	0.6
89.02320	1.3
93.03309	1.0
95.01266	0.6
99.00787	0.5
101.02313	3.0
107.01267	0.8
109.02847	0.5
112.62216	0.5
113.02364	2.8
118.56486	0.5
121.02838	0.5
122.03620	3.1
125.02338	9.4
134.86621	0.6
143.08519	0.5
149.02342	1.4
150.37782	0.5
151.00331	3.4
152.99603	0.5
156.05688	1.4
157.33908	0.4
161.04503	1.1
169.06471	1.6
171.08031	2.2
173.04597	0.9
173.06004	3.1
178.92699	0.5
191.05548	0.7
195.08090	2.1
211.07620	0.7
213.09158	15.7
214.09488	1.1
239.07095	6.1
240.07390	0.8
255.02989	1.8
257.08176	100.0
258.08524	10.3
271.02444	4.9
299.09109	0.8
300.02734	8.5
301.03394	2.9
343.28506	0.9
461.14386	1.5
485.68671	0.6
505.09933	5.2
505.33997	5.9
529.62720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1355
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.45723	0.5
59.01242	1.6
63.02272	3.3
64.71814	0.5
65.00191	9.1
65.33764	0.5
66.60134	0.5
67.40688	0.5
70.38147	0.7
71.01250	1.2
73.02803	0.7
83.01264	4.6
89.02303	0.7
90.23082	0.6
93.03305	0.8
97.02800	0.7
101.02329	0.9
107.01267	15.9
108.02070	6.7
109.02864	1.0
123.04428	3.4
125.02309	1.5
134.03630	26.3
135.04152	0.9
136.01532	2.3
137.02351	0.8
149.05991	19.4
149.07208	1.0
150.06380	0.7
151.00279	45.6
152.00632	1.4
155.10706	0.8
164.01073	5.3
165.01817	2.3
169.01329	2.3
173.04428	0.8
174.03188	1.2
175.00310	1.1
177.01849	5.8
178.99892	0.9
179.13150	0.6
196.00131	2.8
199.03961	1.1
199.09717	0.6
201.01820	0.9
215.03401	0.6
243.02931	0.7
255.02931	2.1
257.12836	0.8
271.02518	3.3
286.04889	2.3
300.02798	4.2
301.07162	100.0
302.07538	9.7
343.08337	3.0
344.09613	0.6
505.10022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54482	0.5
59.01253	48.7
69.03326	0.7
70.29400	0.8
70.29749	1.4
71.01258	5.2
71.51624	0.5
73.02818	1.4
81.03327	0.6
83.01263	1.1
85.02818	2.8
87.00731	0.8
89.02332	1.2
93.03351	0.8
95.01258	1.1
98.19919	0.6
99.00789	0.7
101.02306	2.9
107.01275	1.0
108.02057	0.7
109.02822	0.8
113.02338	2.9
119.03390	0.5
128.94449	0.5
135.04404	1.1
144.04453	6.8
151.00319	2.5
161.02307	0.6
161.04446	0.8
163.00359	0.5
173.04482	3.4
178.99736	1.6
179.03281	0.6
182.03589	1.0
191.05559	1.6
197.06029	1.1
209.11710	1.0
210.03194	2.1
225.05524	15.6
226.05875	1.1
227.03477	0.9
238.02652	9.4
239.03174	0.8
239.07091	2.2
243.02986	3.0
253.05037	28.0
254.02365	0.5
254.05348	2.6
255.02960	7.1
255.24919	0.5
256.03387	0.9
257.12924	3.3
262.22549	0.5
267.06635	2.8
268.07401	49.1
269.07755	4.8
271.02490	14.6
271.05499	0.8
272.02930	1.4
283.09760	100.0
284.10101	10.2
284.13156	0.4
300.02762	24.2
301.03479	10.5
301.11893	3.4
302.03793	0.7
387.59937	0.5
445.08240	0.7
457.03745	0.6
505.09903	15.2
505.34094	1.6
506.10117	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	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35148	0.3
59.01243	1.3
71.24043	0.4
71.24381	0.3
74.38386	0.3
78.95775	10.4
96.54636	0.3
96.96848	1.3
152.99496	18.0
171.00583	1.3
227.03194	2.7
229.78027	0.4
233.22441	0.4
245.04260	2.2
255.03012	0.5
259.20566	0.6
264.86618	0.3
271.02637	0.8
277.21719	100.0
278.22058	12.0
280.23627	0.5
300.02719	0.8
301.03525	0.4
386.06241	0.4
400.48663	0.4
406.53082	0.4
439.28699	0.4
505.25742	28.7
506.26038	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	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.1
63.32590	0.0
64.34250	0.0
66.72730	0.0
69.23260	0.3
69.23661	0.1
78.46097	0.0
78.95774	6.4
83.04958	0.0
104.97341	0.1
144.75624	0.0
152.99483	1.5
168.04230	1.4
168.05664	0.1
169.04620	0.1
171.00531	0.2
224.06914	1.0
227.03198	0.2
242.07953	2.7
243.08223	0.1
245.04546	0.1
263.23886	0.0
279.23300	6.9
281.24844	100.0
282.25180	11.3
506.32498	7.0
507.27170	1.7
507.33160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11433	0.5
51.15784	0.5
57.01132	0.6
57.03311	1.5
59.01249	17.4
65.00190	7.3
70.90440	1.7
70.90809	0.6
71.01250	6.2
72.99156	1.1
73.02822	3.7
75.00760	0.7
83.01266	4.5
83.04795	0.7
85.02821	1.6
86.77876	0.6
89.02308	2.3
93.03362	1.2
95.01246	0.8
95.04858	0.7
99.00757	0.8
101.02319	5.7
103.00235	1.4
104.04932	1.2
104.13053	0.5
106.06501	2.4
107.01270	9.9
109.02835	1.0
113.02315	3.6
118.97968	2.0
119.03393	1.4
119.04897	1.0
121.02833	1.1
122.06010	1.8
123.04401	2.9
124.01584	0.9
124.07566	2.7
125.02326	5.4
132.04440	22.4
133.02873	1.9
133.05244	9.1
134.06032	3.6
135.04428	3.1
137.02284	1.0
148.03893	1.0
149.02315	1.4
149.04448	1.8
149.09610	2.8
150.03148	4.1
150.05513	2.4
151.00278	44.8
151.03918	5.5
152.00694	2.4
155.10692	2.1
155.55019	0.6
161.04434	2.7
161.05746	0.7
163.03842	1.7
165.01912	0.8
165.04231	14.0
165.05606	1.1
167.10680	4.7
169.01366	1.0
173.04492	2.5
176.03444	1.8
176.07040	1.3
177.04218	2.3
178.04956	1.2
178.99815	2.1
179.03322	0.8
181.05046	0.7
185.08311	0.7
186.09175	2.1
191.05537	2.0
195.06483	0.7
199.04102	1.0
199.09749	1.2
208.95032	0.6
209.03139	4.0
212.10635	0.7
213.06660	1.2
214.12267	2.4
215.11874	4.0
229.09756	1.9
240.10315	1.8
241.05035	1.6
241.09721	3.5
255.11435	0.8
257.12946	14.7
258.13239	1.1
275.05551	1.0
283.10867	7.2
285.04056	20.7
286.04449	2.5
301.11914	10.3
302.12140	1.0
303.05011	2.1
315.08719	2.0
327.09030	4.0
341.10666	0.8
345.10883	100.0
346.11218	10.6
381.08145	1.1
387.11987	2.0
387.20160	1.8
447.22375	1.8
507.10394	2.3
507.16998	8.5
508.16754	1.2
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
58.13428	0.4
59.01253	4.1
68.75130	0.3
69.26558	2.3
71.01251	1.8
73.02814	0.5
83.01256	0.4
84.04431	0.6
85.02798	0.5
89.02323	0.7
93.03336	0.3
95.03639	0.9
96.00784	0.4
101.02319	1.3
103.00288	0.5
106.06505	1.3
107.01290	0.4
109.02827	0.8
111.42325	0.3
113.02329	0.5
113.90265	0.4
122.06013	0.7
123.04413	2.7
124.01519	0.5
124.07571	2.7
125.02335	1.5
132.04445	17.9
133.05249	8.0
134.06039	3.1
135.04506	0.6
138.05402	0.4
139.03938	1.8
148.03929	1.2
149.04480	0.4
150.05484	1.0
150.28381	0.4
151.00272	0.8
151.03905	1.1
153.01868	0.4
153.09160	0.6
163.03899	0.7
164.01059	0.5
165.04222	11.3
165.05618	0.7
166.04584	0.8
173.04402	0.6
176.03452	1.1
176.07040	0.6
177.01843	0.5
177.04158	2.3
178.02667	0.3
178.04994	0.6
179.03410	2.2
186.09166	1.4
191.05557	0.6
197.08167	0.6
198.09294	0.5
209.03236	3.1
213.06599	1.2
214.10286	0.5
214.12253	2.8
215.11806	3.1
216.12251	0.6
229.09839	2.2
240.08513	0.3
240.10547	0.7
241.09798	1.7
242.10115	0.5
249.36942	0.3
255.11407	1.2
257.12924	15.4
258.13251	1.5
268.08450	0.4
273.08945	0.6
283.10889	6.9
284.11203	1.0
285.04160	1.1
289.24414	0.3
301.11929	8.4
301.46255	0.3
302.12231	1.3
303.05292	0.6
303.08676	5.7
304.09204	0.8
312.22760	0.4
327.09839	1.0
345.10889	100.0
346.11227	10.2
369.10944	0.4
387.11841	0.8
387.19827	0.5
447.22360	0.4
484.40231	0.4
507.16443	8.0
508.16629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01575	1.4
69.43604	8.2
71.01258	15.9
72.99156	2.0
73.02819	9.6
75.00755	1.4
79.80421	1.1
83.01257	3.6
85.02818	5.7
87.00733	1.7
87.12159	0.9
89.02316	6.6
93.03334	4.9
95.01271	1.3
98.20602	2.1
99.00749	1.1
99.04366	1.3
101.02328	12.4
113.02331	9.0
114.02651	0.9
119.03361	3.8
123.04386	1.9
125.02329	6.4
127.96825	0.9
133.02792	1.1
135.04398	9.9
139.03954	1.4
143.03358	1.2
145.02811	1.2
149.04459	2.0
151.00244	2.0
153.01895	1.4
161.02338	1.5
161.04407	4.4
173.04474	9.2
177.01782	2.3
178.99747	1.2
179.03404	6.0
179.05476	2.2
191.03770	1.2
191.05531	22.2
208.63112	1.0
243.15967	2.8
275.05557	2.0
285.04007	2.0
299.05560	1.2
303.05060	1.9
303.08557	2.2
353.08801	4.5
354.09592	1.5
387.20291	16.8
388.20447	2.6
394.50510	1.1
405.21317	8.7
406.22137	1.1
432.90033	1.0
447.22351	13.6
448.22769	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	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69622	0.2
59.01263	0.4
69.21706	0.5
69.22102	1.8
78.95774	10.8
81.71154	0.2
87.93400	0.2
91.50809	0.2
92.51934	0.2
96.96882	0.8
98.74945	0.2
152.99490	14.9
153.99876	0.3
168.04214	0.4
171.00572	1.4
177.96227	0.2
195.04526	0.3
224.06927	0.9
225.07220	0.3
227.03232	2.6
242.08308	0.3
245.04265	1.7
261.22040	0.3
279.23279	100.0
280.23618	12.5
280.28232	0.3
281.24826	6.3
282.25198	13.0
283.25476	0.6
477.13239	0.5
492.15613	0.3
507.18362	1.2
507.27048	25.2
507.32672	2.0
508.19174	0.3
508.27356	4.2
508.33694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34321	0.5
57.03312	1.0
59.01257	11.9
60.01574	0.9
61.98691	2.5
66.20500	0.6
71.01264	3.6
71.53024	0.9
73.02811	1.0
78.95775	14.5
79.63660	0.5
79.85409	0.5
85.02834	0.9
89.02315	1.7
93.03326	1.7
97.06476	0.8
100.17948	0.5
101.02323	1.5
109.02814	0.6
110.06534	0.5
113.02328	1.3
116.52409	0.6
121.02854	2.1
122.03619	2.6
123.04185	0.6
125.02305	1.9
135.04361	1.3
136.05217	1.3
137.02351	3.3
137.92014	0.6
138.02695	1.1
140.01093	6.4
149.04530	1.1
152.61510	0.6
152.99500	4.1
161.02362	0.8
167.03448	0.8
167.14330	2.7
173.04478	2.8
191.05498	1.0
193.15930	1.0
196.03751	2.0
214.04811	5.5
223.20628	2.5
227.06998	0.8
228.07491	1.1
231.17422	0.7
243.08003	0.4
243.10228	10.5
244.10590	15.6
244.13074	0.8
245.10773	1.0
249.18575	7.3
250.18942	0.7
267.19653	100.0
268.20013	10.9
273.07730	0.6
274.08023	0.7
275.16541	8.6
276.16867	1.1
289.10422	1.4
290.11523	1.0
293.17596	38.8
294.18021	2.8
303.12338	0.9
304.12735	2.2
311.18643	66.1
312.11264	0.7
312.18985	7.6
389.25629	0.6
440.86972	0.7
476.14993	0.7
508.23212	75.0
509.23346	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	509.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58779	1.5
57.67798	1.5
58.03047	1.7
58.97609	1.7
59.01252	10.1
59.13480	1.5
65.00179	3.9
66.19647	1.4
69.70348	10.5
71.01246	6.5
73.02811	1.8
83.01267	3.9
85.02820	1.8
87.00739	3.0
89.02317	1.6
93.03336	2.4
94.67525	1.5
95.01260	1.8
101.02329	3.9
107.01260	4.0
108.02021	2.6
109.02821	2.4
109.99940	2.3
111.00748	12.0
113.02341	3.3
120.99483	2.2
123.00779	4.0
124.01504	2.6
125.02323	4.0
132.13358	1.8
137.02289	2.4
139.00269	17.0
141.01796	2.4
147.04398	2.7
149.99530	3.9
151.00240	14.8
152.01083	2.1
154.99757	3.5
155.10741	2.7
158.03723	1.8
159.04430	2.0
161.02353	3.4
163.00272	1.9
164.98181	2.9
165.27664	1.5
165.98958	2.0
166.99744	2.7
167.03363	2.1
169.01340	3.5
171.04396	2.4
174.03119	2.2
175.02449	3.4
175.03900	3.5
178.99782	17.8
186.03177	2.9
187.03888	6.8
189.01886	4.2
191.05585	2.2
193.01178	1.9
194.99265	2.2
199.03918	2.0
201.01874	3.1
202.02608	4.4
203.03398	7.1
204.04117	4.5
206.99295	3.4
213.00047	1.6
213.01936	4.3
214.02666	7.0
215.03273	8.4
216.00401	1.9
217.01389	2.1
217.04990	3.1
219.03056	1.7
227.03448	3.2
229.01512	2.1
230.02103	5.5
231.02902	11.4
232.03680	4.4
233.00691	1.9
241.01411	2.3
242.02203	4.5
243.03036	9.9
245.00887	4.9
247.06114	13.5
257.00867	5.6
257.04486	3.3
258.01575	6.6
259.02451	13.2
260.02863	2.7
261.00378	3.8
261.24493	1.8
269.01062	1.8
270.01761	4.6
271.02417	14.3
274.01184	3.1
275.02115	1.8
275.05573	2.6
285.04041	5.9
286.01151	12.3
287.02036	10.1
288.02386	2.3
297.00391	11.6
298.00931	2.9
299.01993	2.8
300.02704	5.7
301.03448	12.5
302.00745	3.1
302.04147	3.2
303.01398	7.9
303.05069	13.8
313.03531	9.3
314.00607	5.2
314.03925	2.4
315.01434	5.9
315.05255	5.0
316.02081	1.8
317.03064	7.2
318.03656	5.9
319.04526	2.2
329.03003	53.6
330.03406	7.2
331.00867	2.0
333.11066	3.2
346.03207	16.2
347.03967	16.0
409.11703	8.7
449.27640	3.9
476.09393	2.3
481.09998	4.6
491.08075	2.4
509.09344	100.0
510.09601	18.5
539.18896	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20117	0.4
55.01764	5.4
59.01249	4.1
61.98702	10.3
69.03316	0.3
69.18362	0.6
69.18760	3.3
71.01254	3.4
73.02815	2.1
75.00748	1.7
79.86079	0.4
83.01290	0.4
85.02834	1.9
89.02336	2.0
101.02337	3.2
102.05798	0.3
113.02322	0.4
119.03433	0.7
120.08080	0.4
129.01830	4.3
133.02867	0.6
134.03613	0.9
135.04417	12.2
135.08018	0.8
136.04747	0.8
137.09607	5.6
147.02893	5.1
155.10686	100.0
156.11000	6.1
156.12173	0.5
161.02367	1.6
173.04489	0.6
179.03403	8.7
199.09698	46.2
200.10052	2.8
213.14890	1.6
216.30821	0.4
235.70741	0.3
305.12903	0.4
309.06198	1.6
323.64450	0.4
329.12488	1.3
329.17517	1.1
347.13455	87.7
348.13809	8.8
348.18097	0.5
449.22684	0.5
462.82578	0.4
509.16635	1.1
509.23703	0.7
509.31421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	3.0
57.03333	0.7
59.01252	2.9
67.01765	0.4
69.03370	0.4
69.37213	3.5
71.01254	4.1
72.99194	0.6
73.02814	2.7
75.00745	3.8
78.81607	0.3
83.01257	0.6
85.02831	2.5
87.00739	0.6
87.04393	1.2
89.02318	1.4
93.03333	0.8
93.70303	0.4
95.01244	0.3
97.02833	0.5
101.02335	2.8
109.02812	0.5
111.04362	0.4
113.02331	1.6
118.97951	0.7
119.03383	0.6
123.04436	0.6
125.02370	0.7
127.99186	0.3
129.01810	2.4
135.04486	0.5
135.08043	1.0
137.02313	0.7
137.09616	8.7
138.10013	0.6
143.03433	0.4
147.02899	3.7
151.00270	0.5
155.10686	100.0
156.11029	5.1
161.04451	0.5
165.04002	0.7
168.61606	0.4
169.12263	0.9
173.04529	0.6
179.03398	0.6
181.08633	2.1
191.05565	1.1
199.09702	73.2
200.10036	4.3
213.11304	0.4
241.10753	2.0
304.09052	0.6
305.09192	0.8
319.07947	0.4
329.12415	9.1
330.12662	0.7
347.13470	16.2
348.13797	1.2
361.14957	2.7
419.15286	1.2
449.16562	0.4
509.18713	26.4
510.19186	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94668	0.8
61.25252	0.9
70.23956	0.8
71.52044	1.0
76.28199	0.7
143.72656	0.8
195.04483	2.2
197.05954	1.4
219.46335	0.8
223.03987	2.1
224.04701	1.9
225.05550	2.2
242.70485	0.9
256.08939	2.3
278.05539	1.2
279.23227	2.3
280.23581	2.8
281.23892	2.3
311.07242	0.9
350.48676	0.9
404.09869	1.1
407.16260	1.0
431.09320	3.5
432.09787	12.5
432.14737	1.0
433.10553	6.1
434.11154	1.2
445.10748	2.0
446.11548	4.3
447.12097	19.2
448.13013	10.4
449.13937	1.6
451.15524	2.5
460.13309	1.8
461.13998	4.0
462.14728	18.0
463.15485	10.7
464.11743	4.2
465.17670	0.9
475.15439	1.2
477.17038	7.2
478.16809	1.2
479.14944	14.4
480.15677	2.2
493.16461	1.3
494.17371	9.7
495.17566	1.6
509.19717	100.0
510.20004	22.4
528.45758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1968
Annotation	7-Hydroxy-5-methoxyflavan-(4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.30480	0.5
54.72714	0.4
59.23623	0.5
61.98689	0.5
69.22050	4.5
78.95789	0.5
82.12785	0.4
87.08312	0.4
89.17601	0.5
98.20599	1.0
102.22237	0.4
112.89075	0.4
114.04706	0.5
125.02596	0.5
143.04922	1.2
145.02901	0.5
167.04919	0.8
169.06444	0.5
180.05659	0.7
183.04439	0.7
195.04443	16.0
196.05194	5.5
197.05974	2.3
211.03990	0.9
223.03964	15.9
224.04721	16.3
225.05411	5.7
226.06273	3.8
227.03415	0.6
238.06334	7.6
239.07063	2.8
240.07973	2.7
241.08676	3.5
251.07013	0.9
253.08734	2.9
255.10243	1.0
263.03452	0.6
278.05981	0.9
279.23190	2.2
280.23599	1.9
281.23956	2.7
293.08359	2.3
378.08942	0.7
379.09869	0.7
390.12848	0.5
393.11237	1.6
403.09576	1.2
404.10361	0.9
405.11554	0.8
406.08536	0.9
409.14670	0.4
418.12183	1.2
419.13007	0.5
420.14145	0.6
421.10736	3.6
422.11450	0.7
431.09293	3.1
432.09793	0.8
435.12323	1.2
436.12958	1.9
445.10809	1.3
446.11395	2.6
447.12125	1.3
449.10092	1.8
451.15613	3.1
452.15814	0.7
461.14035	1.9
462.14359	0.8
463.11270	2.3
464.12671	3.9
465.13150	0.9
477.17038	0.6
478.13904	4.1
479.14984	33.4
480.15265	6.9
493.16705	5.4
494.17313	22.3
495.17761	4.6
509.19687	100.0
510.20013	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	509.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30754	1.5
55.50671	1.3
71.52268	1.6
73.30798	1.3
78.95779	3.8
103.00997	1.3
152.99512	6.9
167.04945	2.3
195.04324	3.7
197.06146	1.8
211.03993	7.6
212.04764	17.3
213.05577	6.8
223.03903	3.0
224.04787	2.1
225.05525	3.5
226.06134	1.9
227.03343	2.2
227.07088	8.0
239.03438	10.8
240.04167	6.3
240.07840	3.2
241.04898	3.3
249.94139	1.5
250.06238	1.6
255.06599	22.6
256.07068	1.5
281.24847	42.3
282.25119	4.7
318.88553	1.5
377.11835	2.9
393.10931	2.7
421.10825	5.4
434.71371	1.7
435.11975	1.6
436.13016	3.8
449.10260	11.8
450.10507	1.6
451.15567	7.0
463.11853	3.6
464.12616	15.3
479.15045	88.0
480.15408	15.0
494.17358	100.0
495.17676	22.5
509.12158	3.2
509.19601	52.9
509.28528	12.7
510.20166	15.7
510.27972	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	509.239
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01793	1.3
57.00721	0.6
57.03336	1.5
58.00494	1.1
59.01250	29.8
61.98705	35.2
69.03368	0.8
71.01254	22.1
71.04929	1.3
71.53447	0.6
72.99229	2.9
73.02834	3.9
75.00840	0.6
83.01291	1.7
83.04939	2.1
85.02832	5.9
85.03280	0.6
87.00806	1.7
87.77261	0.7
89.02322	13.8
95.01306	2.6
97.06484	1.0
99.00763	0.8
101.02327	12.5
101.02901	1.0
106.83525	0.6
109.02840	0.8
111.08098	0.7
113.02318	8.2
119.03415	6.0
119.04934	0.8
120.08079	3.7
124.07633	0.7
135.04445	1.6
137.02423	0.8
141.07005	5.4
143.03506	1.2
149.06062	0.8
149.09680	1.3
155.08578	19.9
155.10548	3.7
156.08917	1.7
159.03004	1.1
161.02441	0.8
161.04407	3.1
164.07120	2.5
173.04472	1.2
173.09691	2.2
175.07559	1.5
175.11185	7.9
176.11626	0.7
177.09193	1.0
179.05562	1.6
179.10582	0.8
187.11256	0.8
189.12753	0.7
191.10727	6.4
199.07758	1.0
199.09700	2.8
211.13423	0.7
251.14433	1.8
267.13907	1.5
267.17593	0.8
269.15585	1.8
270.00958	0.7
283.13614	0.8
283.16980	4.2
285.18674	5.1
286.19144	0.9
287.14041	1.9
305.15033	2.9
306.71686	0.7
329.17566	100.0
330.17908	11.6
347.13525	3.6
347.18329	1.2
491.13309	1.1
509.23782	54.6
510.24170	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	509.2394
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
51.76547	0.6
54.82523	0.7
55.01762	3.3
57.03310	3.1
57.43683	0.6
58.00463	1.7
58.53000	0.6
59.01253	28.8
61.15221	0.6
61.76928	0.7
61.98686	2.9
67.01760	1.7
69.03296	1.0
71.01256	26.3
71.04887	0.8
72.99174	2.4
73.02818	8.4
81.16671	0.7
83.01260	5.6
85.02830	13.8
87.00727	2.5
89.02325	8.6
92.15371	0.7
93.03320	2.1
95.00726	0.7
95.01251	3.6
97.02834	1.1
97.06466	1.0
98.19758	1.1
99.00785	3.8
101.02324	23.4
109.02807	2.0
111.00769	0.8
111.04408	1.0
113.02335	9.3
118.97982	1.9
119.03368	2.6
120.99512	1.4
125.02344	1.6
135.04399	2.0
137.02321	1.6
138.05457	0.9
139.00229	0.9
140.13956	0.7
149.04297	0.8
151.00273	2.2
159.02878	1.3
161.04457	3.4
163.00272	0.7
167.03340	0.7
168.15005	0.7
173.04468	3.9
173.35315	0.8
179.03410	1.4
191.05476	2.8
217.15947	2.0
222.57031	0.7
235.17006	2.6
245.52336	0.7
249.87457	0.7
271.02341	1.0
271.51309	0.7
303.19562	0.9
314.04315	1.1
329.02966	1.4
329.17654	1.6
329.23157	1.0
347.18579	4.5
347.24234	0.8
416.27924	0.7
449.27371	2.5
477.15265	1.0
487.79758	0.8
509.23752	100.0
510.16986	1.3
510.24176	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	509.2884
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
53.23201	0.6
58.47844	0.6
66.14384	0.7
71.23228	1.3
77.89461	0.6
78.95779	20.9
84.58474	0.7
96.96836	1.5
134.18982	0.6
148.09650	0.7
152.99495	33.0
166.20525	0.7
171.00551	1.8
227.03178	5.4
234.97185	0.7
245.04335	1.9
281.24863	100.0
282.25177	11.9
508.76770	0.8
509.28818	52.6
510.29141	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.5
61.98705	86.8
69.40466	10.6
71.01246	4.4
73.02782	2.4
83.01235	1.6
85.02840	2.5
87.00748	1.4
93.03329	2.4
95.08580	1.6
101.02309	2.7
107.01260	1.7
113.02345	2.7
118.97939	2.6
120.99516	6.2
133.02791	2.1
135.04344	2.2
151.00323	4.4
173.04449	4.1
227.01537	1.4
227.03438	40.6
228.03706	3.1
229.05054	2.0
255.02977	60.7
256.03519	8.4
257.04346	2.9
284.03256	70.4
285.03952	24.5
287.02017	2.1
299.02121	1.7
447.09302	100.0
448.09808	14.3
450.27725	2.0
509.17303	1.5
509.28946	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09397	0.3
56.76501	0.3
59.01252	6.0
61.98705	100.0
66.30318	0.3
69.03329	0.4
69.44316	0.5
69.44714	2.0
71.01258	2.1
72.79056	0.3
72.99195	0.4
73.02817	0.8
85.02842	0.9
87.00795	0.4
89.02334	1.2
101.02335	1.3
110.83557	0.3
113.02355	0.8
119.03378	0.4
125.02348	0.6
135.04454	0.8
137.09569	0.3
144.52930	0.3
155.10686	3.0
156.11009	1.6
161.04550	0.3
173.04514	1.0
179.03444	0.7
199.09796	1.1
200.10107	0.5
237.05681	0.4
253.09828	0.4
295.10904	1.3
316.01010	0.3
329.17719	0.9
330.17944	1.8
339.09802	0.8
347.13516	1.3
348.13834	2.6
349.20383	0.8
368.63608	0.3
434.17209	0.5
478.16199	0.4
510.24405	0.9
511.18683	0.5
511.25256	0.6
513.29462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.00954	0.5
59.01249	6.6
61.98701	100.0
64.09653	0.3
67.43473	0.3
69.17817	3.7
71.01248	2.3
72.01574	0.4
72.99183	0.4
73.02833	0.9
83.01266	0.6
85.02837	1.0
87.00735	0.5
87.61172	0.3
89.02323	1.3
93.03323	0.5
99.00735	0.3
99.04382	0.3
101.02334	1.4
113.02358	0.9
119.03448	0.6
125.02357	0.6
135.04446	0.6
155.08556	0.8
155.10654	2.4
156.09073	0.4
156.11058	1.2
173.04555	0.6
199.09726	1.1
200.10023	0.9
216.04253	0.3
232.05162	0.3
266.03586	0.3
276.33752	0.3
329.17560	1.9
330.17905	4.0
347.13538	1.3
348.13724	2.2
349.20111	0.8
421.81241	0.4
510.24460	3.1
511.24908	0.6
537.46448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1761
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
55.33864	0.5
59.01260	0.6
61.98692	0.7
63.84669	0.5
71.52179	0.7
77.14481	0.6
108.02055	1.7
127.36337	0.6
144.93019	0.5
148.31371	0.7
148.32756	0.5
178.89505	0.5
180.05716	0.7
182.03632	0.9
195.04431	9.1
196.05153	3.8
197.05988	2.4
199.03944	1.3
209.06012	1.3
210.03116	1.9
211.03958	4.2
212.04646	2.5
213.05470	0.8
218.45605	0.5
223.03992	12.4
223.07426	3.1
224.04701	10.6
225.05490	9.6
226.06078	0.9
229.08708	0.5
237.05585	1.3
238.02711	2.8
238.06314	7.5
239.03394	3.4
239.07100	1.8
240.04271	3.9
240.07825	1.1
241.05040	9.8
241.08727	0.6
242.05435	0.9
243.06625	0.7
249.02341	0.5
251.07079	0.8
253.05005	3.0
253.08682	3.6
254.05838	3.8
255.06596	3.0
257.08145	4.3
263.03528	1.3
277.05084	1.0
280.03705	1.0
378.08896	0.9
391.10013	0.8
392.10629	1.0
393.11148	1.5
402.08725	0.9
403.09467	0.6
405.07065	0.7
419.09253	2.9
420.09930	3.4
421.10574	0.9
429.34689	0.6
430.08792	0.7
431.09174	1.3
435.12329	3.4
436.12695	0.9
445.10773	1.4
447.08490	2.4
448.09406	2.9
449.10239	1.5
462.11011	5.3
463.11850	10.6
464.12518	3.3
464.99408	0.6
466.10529	1.0
467.14810	0.6
477.13525	3.4
478.14044	7.8
479.15060	5.3
481.12845	3.9
482.13391	0.7
493.16718	6.1
494.16971	0.8
496.15216	8.7
497.15472	1.2
511.17621	100.0
512.17938	19.3
512.25665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37598	0.3
59.01252	40.1
60.01580	0.6
61.98703	0.4
62.78651	0.3
63.01778	0.3
65.00188	0.4
69.03330	0.3
69.75159	1.7
71.01242	0.7
81.03337	2.6
83.01270	0.4
83.04903	7.8
85.02833	0.4
95.01266	0.4
99.00762	0.5
100.13226	0.3
101.02354	0.4
108.04407	0.4
109.02824	0.9
111.00757	1.4
119.03429	0.3
121.02827	0.5
123.00809	0.7
123.04401	0.3
125.02355	0.9
125.07084	0.9
125.94323	0.3
133.02835	0.3
137.02377	0.7
139.00249	1.5
141.01826	0.4
143.04913	0.4
143.08159	0.5
147.04401	0.7
149.02312	0.7
151.00261	1.5
154.99780	1.3
159.04459	0.6
161.02341	0.9
163.00270	0.5
163.03879	0.4
164.98297	0.4
165.01857	0.7
166.99760	1.4
168.00549	0.4
169.01349	0.4
173.04445	0.6
175.03940	0.5
177.01842	1.1
178.99779	0.9
179.03372	0.3
181.01349	0.9
184.00128	0.5
187.04018	0.4
189.01875	0.7
190.99759	0.4
191.05469	0.3
193.01247	0.5
194.99335	1.0
199.04007	0.4
201.01805	0.4
202.02690	0.4
203.03421	1.1
205.01320	0.6
207.02737	0.3
207.15007	1.2
213.01952	0.5
215.03519	0.7
216.18141	0.3
219.02895	0.6
219.05133	0.3
224.17645	1.6
225.16042	7.9
225.18100	0.5
226.16420	0.8
229.01224	0.6
230.02148	0.4
231.02969	1.5
242.18690	0.5
243.02928	1.0
247.02563	0.4
259.02533	1.3
261.03937	0.5
265.49344	0.3
269.00812	0.4
271.02441	0.9
274.01199	0.6
275.01895	0.7
286.01233	0.3
286.33188	0.3
287.01956	3.3
300.02734	0.5
301.03531	1.0
303.01404	1.2
304.02029	0.4
305.02927	0.9
312.99930	0.7
315.01389	1.6
316.02023	0.3
324.26495	1.2
331.00882	2.9
332.01175	0.4
333.22958	2.1
351.24146	0.8
355.06909	0.7
367.27234	0.5
375.05710	1.2
413.80698	0.3
433.31799	4.9
434.32132	0.6
437.07028	0.5
451.32892	100.0
452.33212	18.8
463.08765	0.6
478.07385	0.7
490.95679	0.3
493.06372	1.0
511.07574	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	512.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.5
60.01574	0.3
61.64738	0.3
61.98704	100.0
62.98374	0.2
69.03334	1.0
69.38544	2.0
71.01250	1.6
73.02830	1.1
76.54579	0.3
85.02836	0.7
89.02342	0.6
93.03392	0.3
99.00770	0.5
101.02339	1.2
113.02348	0.7
119.03392	0.4
153.09120	0.5
173.04489	1.0
185.00883	0.8
191.05528	0.9
211.03944	0.3
240.06694	0.8
253.09729	0.5
268.12201	0.4
279.07767	0.3
294.10205	0.4
312.11127	0.3
329.02301	0.3
344.10257	0.4
396.19168	0.3
418.17480	0.5
424.20209	0.3
436.18796	1.4
447.08502	0.4
453.25131	0.3
480.18024	0.5
512.20575	1.2
513.15546	1.3
513.27277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01339	0.8
52.44072	0.7
55.01712	0.7
57.03326	72.3
58.03663	1.3
58.08957	0.7
59.01253	100.0
60.01568	1.1
61.98700	3.4
65.59438	0.7
67.01779	1.1
69.03328	3.5
71.01257	27.0
71.04903	0.9
71.20064	0.8
71.52249	1.0
72.99186	1.7
73.02819	14.9
81.03335	2.5
83.01248	5.3
83.04903	1.6
84.21732	0.8
85.02827	6.7
87.00755	2.3
87.04396	0.9
89.02309	13.2
93.03349	7.2
95.01270	1.6
97.02827	3.0
97.06509	1.3
99.00767	1.9
99.04399	65.3
100.04749	2.1
101.02326	26.6
102.02613	1.1
109.02858	2.7
111.04428	1.0
111.08026	0.9
113.02345	11.6
119.03410	5.2
122.02425	1.3
122.05980	1.0
123.04437	1.0
125.02340	29.6
126.02654	1.6
127.79128	0.8
131.03366	2.3
133.02890	1.3
135.04420	3.8
135.08104	0.9
137.02357	2.6
143.03404	3.0
147.62666	0.8
149.04446	1.9
155.03352	1.6
155.10645	1.8
161.04515	4.9
163.00623	0.9
173.04494	18.0
173.06000	1.1
174.04770	1.1
179.03481	1.1
179.05521	2.1
179.10667	1.1
184.51312	0.8
185.00893	2.2
191.05545	4.4
203.05569	0.9
203.14307	1.1
221.06627	1.3
244.07474	1.1
259.09906	1.1
267.10245	1.6
300.02780	0.9
317.17456	1.0
333.20715	18.6
334.21146	1.3
339.08817	0.9
351.21674	4.8
354.62967	0.8
435.23709	1.2
438.85388	0.9
453.24817	3.1
471.26196	1.2
513.26947	11.9
514.27295	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15789	0.1
55.01760	0.4
57.03313	0.3
58.00467	0.3
59.01248	7.8
60.01585	0.1
64.50082	0.0
69.03335	0.1
69.26347	0.5
70.79602	0.0
71.01252	5.7
72.01575	0.1
72.99175	0.3
73.02821	1.1
73.03194	0.1
77.23830	0.0
81.03321	0.1
83.01248	0.5
83.04909	0.2
83.79494	0.1
85.02825	1.2
85.99986	0.1
87.00742	0.7
89.02318	4.3
89.51106	0.1
91.03899	0.2
95.01261	0.4
97.02837	0.2
97.06471	0.1
98.53693	0.1
99.00761	0.3
99.04411	0.1
101.02323	5.2
102.02670	0.1
103.03910	0.2
110.32263	0.1
111.00770	0.1
112.01527	0.1
113.02333	2.6
113.05921	0.1
115.03925	0.2
119.03393	1.0
125.02338	0.2
127.07546	0.2
128.56401	0.1
131.03413	0.1
133.04996	0.4
143.03401	0.6
149.04482	0.1
157.05005	0.1
161.04471	2.0
162.04828	0.1
179.05560	0.6
187.06134	0.1
205.19572	0.2
222.79422	0.1
233.22795	0.3
235.08194	1.0
236.08533	0.1
253.09262	16.1
254.09657	1.0
259.20590	0.5
275.20099	0.4
277.21713	100.0
278.22052	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03315	0.1
58.00461	0.2
59.01251	6.6
59.98378	0.1
66.27197	0.1
69.03320	0.1
70.12843	0.3
71.01254	4.9
72.99160	0.2
73.02823	0.8
77.91559	0.1
81.03314	0.1
83.01258	0.6
83.04900	0.2
85.02821	1.2
87.00754	0.5
89.02322	3.5
91.03864	0.2
95.01282	0.4
95.77661	0.1
97.02827	0.2
99.00743	0.3
101.02325	4.1
102.02674	0.1
103.03896	0.3
111.04366	0.1
113.02342	2.1
114.02624	0.1
115.03864	0.1
119.03395	1.1
122.82345	0.1
125.02319	0.2
127.07524	0.3
128.22546	0.1
131.03355	0.1
133.04970	0.4
139.22081	0.1
143.03389	0.3
149.04451	0.1
157.04984	0.2
161.04468	1.6
162.04826	0.1
179.05502	0.5
182.13081	0.1
205.19589	0.1
233.22850	0.4
235.08176	1.0
253.09267	15.4
254.09601	0.9
259.20663	0.3
263.85300	0.1
275.20154	0.2
277.21719	100.0
278.22055	12.3
278.25336	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83792	0.2
53.34445	0.2
56.09757	0.3
58.58619	0.2
59.01257	0.9
61.98704	100.0
68.90220	0.3
69.01041	0.2
69.84084	0.7
69.84488	0.6
71.01260	0.4
85.02821	0.5
93.03365	0.3
93.76698	0.2
109.02861	0.3
111.00760	0.4
133.02870	0.3
135.04424	0.4
139.00308	0.3
141.47830	0.3
151.00301	0.6
171.03139	0.3
173.04503	0.8
178.99837	0.6
179.03447	0.5
191.05566	0.4
216.28848	0.3
219.02907	0.3
271.02704	0.3
274.98196	0.3
279.03036	0.5
294.04163	0.3
306.03983	0.4
309.04230	0.8
316.01889	0.4
319.21005	0.2
322.03720	0.5
334.03583	1.7
335.03949	0.5
336.05362	0.6
351.03989	0.7
352.04596	0.7
367.39145	0.3
453.33737	0.3
454.33783	1.0
514.09741	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	9.3
67.01751	0.6
69.03355	1.1
71.01289	2.4
73.02857	1.5
79.95666	1.9
85.02826	5.9
87.00791	1.4
89.02356	1.0
93.03394	2.6
96.95898	8.1
101.02354	1.4
107.04912	29.1
108.04489	0.7
108.05251	1.3
109.02831	4.9
113.02368	1.0
114.02888	0.6
116.61389	0.7
119.03474	1.0
121.02850	11.6
121.03648	0.8
122.03634	19.4
124.01604	1.4
133.02858	7.1
133.03661	0.6
135.04471	3.8
137.02338	3.1
146.04561	2.2
147.02960	1.5
147.04515	0.7
150.03201	2.7
151.03999	1.9
153.01901	0.8
154.02684	1.9
159.04543	0.8
161.02473	0.9
173.04483	5.5
179.03421	3.5
182.02161	3.5
187.11285	1.2
191.05542	3.6
191.97484	0.8
209.06041	1.4
210.06921	0.6
211.07596	2.3
223.13420	3.1
225.05632	0.9
226.06493	0.7
227.07104	6.0
229.08664	47.2
230.09103	3.8
231.82758	0.6
232.74049	0.6
237.05830	1.0
241.00194	4.1
254.05917	0.8
255.06602	43.4
256.06976	4.5
264.90768	0.7
267.12482	1.4
272.06979	2.0
273.07675	38.8
274.08020	3.2
297.07718	0.8
315.08829	1.8
335.02386	1.5
341.18185	0.7
353.03394	4.7
353.08441	3.6
369.13568	1.2
388.78815	0.7
417.11795	1.9
435.12961	100.0
436.13266	15.6
471.09760	1.3
484.17160	0.7
497.07510	6.8
498.07397	0.8
504.22531	0.8
515.08618	23.6
515.28351	0.8
516.09033	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	515.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93948	1.5
55.01759	1.7
57.03322	6.3
59.01256	15.5
61.98703	8.6
61.98967	1.2
64.76835	1.2
65.84242	1.4
67.01749	1.4
69.03316	7.2
71.01250	8.5
73.02839	2.3
82.43220	1.4
83.01256	1.7
84.02070	2.2
85.02824	59.2
87.00757	5.8
89.02288	1.5
93.03331	25.8
99.00780	1.8
101.02338	3.2
109.02840	4.0
109.45378	1.8
111.00766	2.0
111.04410	7.1
113.02349	1.9
119.04905	3.1
123.04456	1.6
127.03927	1.8
129.01822	2.4
133.02831	4.8
134.03596	4.9
135.04410	65.9
136.04729	5.1
137.02342	6.4
147.02881	18.3
152.01033	5.0
155.03421	7.3
161.02364	15.6
162.02742	1.8
165.01834	2.6
173.04466	72.4
174.04762	3.4
179.03416	72.0
180.03757	2.8
185.00833	4.4
191.01883	6.4
191.05536	90.7
192.05844	4.8
202.11784	1.5
203.03432	2.6
208.00075	4.5
209.00809	2.9
213.78395	1.4
221.03510	1.4
225.09286	1.5
230.54158	2.0
243.06445	2.2
335.07632	3.2
341.10315	5.0
353.08749	100.0
354.09250	8.8
434.10593	3.1
434.60294	1.7
515.10754	11.0
516.11072	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	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40871	0.4
57.03307	1.2
59.01250	1.9
64.37071	0.4
67.01768	2.7
69.34132	3.5
71.01264	2.3
81.03318	1.0
83.04903	0.8
85.02825	6.2
87.00748	0.8
93.03339	18.1
93.03930	0.9
94.03687	0.9
106.21898	0.4
107.04904	0.8
109.02849	0.9
110.90210	0.4
111.00752	0.9
111.04403	4.3
127.03919	1.2
133.02855	1.4
134.03621	2.4
135.04416	52.8
136.04755	3.2
137.02344	4.3
155.03406	3.9
156.03650	0.5
161.02338	3.1
168.21506	0.4
173.04477	84.2
174.03540	0.5
174.04800	3.2
179.03418	55.0
180.03781	2.8
191.01953	1.1
191.05536	31.0
192.05930	1.3
197.04059	0.4
203.03439	4.2
255.06656	0.8
258.05545	0.4
299.05630	1.6
317.06677	0.5
335.07452	0.6
353.08768	100.0
354.09106	11.8
354.13513	0.7
515.11877	4.8
516.12640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
55.01762	1.2
56.11856	0.4
57.03326	4.5
59.01254	16.0
60.53566	0.3
60.99174	0.5
61.98697	0.8
67.01767	3.9
69.03339	1.7
70.39374	1.0
71.01256	7.7
72.99189	0.5
73.02827	1.5
81.03325	1.1
83.01270	1.2
83.04903	1.5
84.02043	0.8
85.02827	43.3
86.03176	1.0
87.00768	2.1
87.04395	0.4
89.02318	1.2
93.03339	26.0
94.03666	1.2
96.99212	0.8
97.02811	0.6
99.00774	1.0
99.04408	0.8
101.02335	1.6
106.72552	0.3
107.04904	1.2
109.02828	2.0
111.00771	1.8
111.04406	6.2
113.02330	2.1
114.22591	0.4
117.03363	0.4
119.03407	0.7
119.04935	0.9
121.02846	0.4
123.04398	0.6
125.02346	0.5
127.03911	1.8
129.01836	2.8
133.02861	2.6
134.03632	2.7
135.04419	68.7
136.04784	3.1
137.02327	6.1
143.04922	0.6
145.06461	0.3
146.04517	0.6
147.02899	17.5
148.03214	0.5
155.03407	6.5
155.10770	0.4
161.02351	6.3
161.04410	0.7
163.04010	0.7
173.04477	100.0
174.04814	3.9
177.01881	0.7
177.05440	0.4
179.03423	66.5
180.03787	3.9
185.00880	0.7
191.01920	1.2
191.05545	51.2
192.05923	2.2
203.03435	3.2
210.06775	0.8
225.09175	1.1
229.08772	0.4
235.07840	0.5
238.09911	0.5
245.03137	0.4
255.06633	0.7
263.07117	0.4
264.07916	1.3
267.12411	0.6
279.10300	0.7
292.59302	0.4
299.05606	1.0
307.02548	0.6
311.09680	0.4
317.06625	0.5
323.01797	0.5
335.07669	1.8
341.10266	6.7
342.10587	0.7
351.09161	0.4
352.02213	1.0
353.08768	98.0
354.09082	10.3
434.92511	0.4
471.12790	1.4
515.12390	2.0
515.18567	0.4
515.28473	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15672	0.3
53.61824	0.3
57.03327	0.8
59.01244	2.8
59.01487	0.4
60.99176	0.5
67.01760	3.8
69.03321	1.3
71.01248	3.0
71.53126	0.5
73.02797	0.4
81.03329	1.3
83.04894	1.1
85.02813	4.9
87.00746	1.7
93.03332	22.8
94.03680	0.9
107.04909	0.8
109.02840	6.0
111.00794	0.6
111.04411	4.2
111.27708	0.4
119.04886	0.7
121.02846	2.0
122.03627	0.7
123.04389	0.5
127.03886	1.3
133.02829	0.8
135.04414	6.5
136.04742	0.6
137.02332	2.5
143.51755	0.4
145.02855	3.4
147.04413	9.0
151.03970	0.5
153.01746	0.4
155.03381	4.1
157.02855	0.7
158.03651	0.5
159.04366	0.8
160.01624	0.5
161.02313	2.0
161.06007	1.2
173.04465	100.0
174.03148	2.1
174.04800	3.8
175.03915	12.8
176.04268	0.6
179.03448	1.1
184.55048	0.4
187.03908	3.0
191.05537	39.1
192.05852	1.6
213.01953	0.6
227.07062	0.4
229.08655	1.4
237.05635	1.0
239.03522	0.8
240.04143	0.5
251.07001	0.5
253.05052	0.5
253.08647	0.8
254.05698	0.6
255.06587	11.9
256.07056	0.9
273.07718	1.4
279.02957	0.8
279.06580	0.5
281.04608	1.4
295.06100	17.7
296.06448	1.9
297.07635	15.8
298.08105	1.4
301.02155	0.4
323.05649	1.7
335.02264	1.3
341.06631	1.8
353.03357	3.3
353.07916	0.5
393.08362	0.9
424.44449	0.4
515.12097	12.3
516.12396	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	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93943	0.8
55.01754	2.8
57.03324	15.3
59.01254	55.2
60.88956	0.8
61.98697	2.8
68.04588	0.8
69.03320	3.1
71.01258	21.5
71.04887	1.0
71.06773	1.1
71.07106	1.4
72.01575	0.9
72.99171	5.4
73.02820	7.5
83.01247	5.1
83.04922	1.4
84.02042	2.2
85.02826	100.0
86.03162	2.0
87.00746	2.9
89.02322	8.6
93.03329	3.9
95.01268	1.5
97.06425	0.9
99.00745	2.4
99.04398	1.1
101.02325	11.3
109.02807	1.5
111.00761	9.1
113.02341	8.5
117.03320	3.0
119.03525	4.1
119.04919	27.6
120.05219	1.2
121.02832	1.1
125.02340	2.1
129.01834	36.9
133.06381	1.1
135.04402	3.5
137.02322	2.1
143.03403	2.2
145.02872	8.7
147.02884	9.3
147.04010	1.1
147.04402	0.8
161.04436	2.0
163.03934	32.1
164.04280	1.8
165.01918	1.0
173.00826	8.7
173.04483	9.0
176.04723	1.3
177.05513	11.2
179.03419	4.1
179.05510	1.8
185.00822	1.1
191.01892	8.7
191.05492	2.8
217.08620	2.1
231.06541	2.9
245.08189	2.8
267.11459	1.3
307.08307	10.5
308.08511	1.2
311.10291	2.4
353.08667	3.1
369.08163	1.8
455.26300	3.1
473.26776	1.8
515.16699	2.9
515.28638	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	515.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	64.8
71.01257	47.9
71.50214	9.8
73.02826	27.0
81.03353	10.8
81.20442	11.7
85.02840	17.9
89.02320	49.7
93.03342	70.8
99.00821	10.6
101.02326	24.4
111.04397	40.4
113.02316	24.1
119.03381	18.2
130.69070	12.0
135.04407	29.2
137.02377	22.5
142.99718	16.6
155.03439	14.1
173.04449	87.4
179.03400	45.3
179.05566	28.4
191.05553	26.8
341.10965	100.0
372.24945	14.2
403.18420	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40012	1.0
54.09845	1.0
57.57912	1.0
59.82380	0.9
67.01766	3.2
69.22773	10.5
71.01256	2.8
91.83018	1.1
93.03333	16.4
98.20489	2.2
108.91444	1.2
111.04373	2.6
135.04414	25.4
137.02335	3.9
155.03441	5.4
173.04472	100.0
174.04816	4.2
176.80060	1.1
179.03424	63.7
180.03749	2.8
191.05576	4.6
320.52142	1.3
341.08813	13.3
353.08676	7.8
460.78033	1.4
515.14160	10.1
516.14026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47490	0.7
66.54813	0.8
66.68692	0.7
67.01754	1.1
70.53960	1.4
70.54325	1.4
71.01246	1.7
85.02818	1.5
89.36820	0.7
90.64708	0.8
93.03341	10.9
103.65810	0.7
109.02814	1.1
111.04397	2.6
134.03648	1.6
135.04416	49.5
136.04715	1.6
137.02344	3.2
155.03439	3.7
161.02353	3.5
167.20343	0.7
173.04478	43.1
174.04837	1.6
179.03421	100.0
180.03760	4.4
191.05544	16.1
191.07164	1.3
323.07748	2.2
341.08774	50.3
342.09109	3.5
353.08490	4.0
477.90454	0.8
515.14032	18.8
516.14429	3.5
530.33936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
69.03349	0.6
70.39346	1.2
70.39699	0.5
71.01262	0.9
84.75642	0.4
85.02821	8.3
87.00735	1.7
93.03323	4.3
109.02822	2.3
111.04411	1.5
117.03375	1.2
125.02392	0.5
127.03902	2.0
132.02049	1.2
133.02859	6.8
135.04431	3.9
143.04929	0.4
145.02823	0.6
160.01582	3.3
161.02348	47.9
162.02682	2.4
167.82234	0.5
171.02925	0.6
173.04462	3.7
175.03882	0.5
179.03404	3.6
191.05540	100.0
192.05853	4.3
196.83667	0.4
255.06654	0.9
259.29468	0.4
295.06097	0.7
297.07770	0.9
323.07703	35.8
324.07983	3.8
341.06226	0.8
353.08710	2.8
358.75726	0.5
380.16321	0.6
395.10052	0.6
515.14014	30.9
516.14374	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74122	0.8
64.24613	0.8
65.67610	1.0
65.69569	1.1
67.01753	3.5
71.01249	2.2
71.51986	1.1
71.52378	1.1
81.03336	1.3
82.73060	0.9
85.02817	2.7
93.03340	25.0
93.34077	0.9
107.04929	0.8
109.02835	2.1
111.00758	1.4
111.04395	4.3
115.54378	0.8
133.02879	1.1
135.04411	80.9
136.04689	4.6
137.02365	6.3
155.03374	4.8
161.02383	4.7
173.04482	56.0
174.04825	2.7
179.03424	100.0
180.03705	4.5
191.05531	21.8
263.21774	1.1
309.38388	0.8
323.07605	2.2
341.08771	56.9
342.09015	5.5
353.08484	7.2
359.97760	0.9
515.14014	41.6
516.14636	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	515.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01038	0.6
57.03338	1.1
59.01251	4.4
63.63631	0.7
67.01755	3.8
69.03303	1.1
70.78539	0.8
70.78881	1.6
71.01255	5.3
73.02808	1.3
81.03344	0.9
83.01237	0.7
83.04903	1.5
85.02814	3.3
87.00746	1.6
89.02311	1.3
93.03337	25.7
94.03669	0.7
99.00798	0.7
105.34366	0.7
107.04885	1.1
109.02827	0.9
111.00793	0.8
111.04404	6.3
113.02308	0.9
125.15140	0.7
127.03883	0.9
133.02881	0.9
134.03650	2.1
135.04419	92.1
136.04756	4.1
137.02356	5.0
155.03419	5.4
161.02322	4.8
173.04475	66.7
174.04816	2.0
179.03423	100.0
180.03741	6.1
191.05547	31.1
192.05878	0.8
203.05202	0.7
243.85033	0.6
248.12494	0.8
257.58517	0.7
320.50684	0.7
323.07816	2.9
335.07736	0.8
341.08560	22.5
342.09198	2.2
353.08722	9.5
354.08890	0.9
380.01465	0.7
515.14063	30.4
516.14368	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	515.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01251	7.6
60.99172	0.5
61.98719	0.3
65.48923	0.2
66.45496	0.2
66.90543	0.2
67.01762	4.6
67.48979	0.2
69.03320	1.2
71.01252	5.2
71.23020	0.6
72.99181	0.5
73.02805	0.9
81.03319	1.0
83.01252	0.4
83.04891	1.3
85.02812	1.2
87.00737	0.5
89.02306	0.6
93.03337	27.3
94.03689	1.0
95.04904	0.3
99.00751	0.6
99.04413	0.4
101.02329	1.0
105.03323	1.1
109.02832	1.1
111.00757	1.0
111.04394	4.9
113.02330	1.0
121.02850	0.7
125.02354	0.2
133.02850	8.4
134.03708	1.5
135.04410	6.4
136.04729	0.3
137.02347	5.0
138.02650	0.4
139.03911	0.4
148.05223	0.5
155.02213	0.5
155.03415	4.5
163.07553	1.9
173.04471	100.0
174.04807	4.3
177.01846	5.5
178.02596	3.1
179.03409	3.6
191.05498	0.8
209.11845	0.6
297.11398	0.6
299.87061	0.2
341.10342	2.9
353.08820	0.5
515.15820	2.1
515.28772	1.0
515.32990	0.6
516.16687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57039	0.2
55.01758	0.4
57.03322	1.5
59.00955	0.5
59.01252	9.4
60.99166	0.8
61.98687	0.4
67.01762	4.6
69.03319	1.4
71.01251	5.8
71.04900	0.3
72.99188	0.6
73.02819	0.9
77.03819	0.3
77.79041	0.2
78.76497	0.2
79.59703	0.2
81.03323	1.1
82.99801	0.2
83.01259	0.8
83.04911	1.1
85.02824	5.1
87.00757	1.5
89.02320	1.2
93.03336	31.0
94.03689	1.2
95.01266	0.4
95.04903	0.5
97.02822	0.4
98.20667	0.4
99.00774	0.6
99.04433	0.5
101.02335	1.3
105.03331	2.1
109.02847	1.2
111.00761	1.2
111.04408	5.3
113.02343	2.1
119.03403	0.3
119.04918	0.5
123.04435	0.2
125.02325	0.5
127.03902	0.6
129.01833	0.6
133.02856	10.9
134.03722	1.4
135.04414	4.8
136.04781	0.3
137.02345	5.9
138.02730	0.3
139.03871	0.5
143.03485	0.3
147.02859	0.5
148.05148	0.7
149.02240	0.2
155.03406	4.5
161.02368	0.8
161.04465	0.8
163.03818	0.3
163.07552	1.5
167.10696	0.2
167.80344	0.2
173.04475	100.0
174.04816	4.3
174.06230	0.3
177.01859	6.6
178.02635	3.0
179.03416	3.1
180.03836	0.3
185.00763	0.3
191.01956	1.5
191.05550	9.4
192.05978	0.2
204.57414	0.2
297.11426	0.4
307.08563	0.3
311.18692	0.6
323.09256	0.6
341.10370	3.9
342.10516	0.6
351.07230	0.9
353.08890	0.5
353.23230	0.4
425.80014	0.2
453.64651	0.2
468.87802	0.3
515.15692	2.6
515.28589	0.8
516.16248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2074
Annotation	Euchrenone b11
Peak:m/z	Relative Intensity
52.97622	1.0
57.03337	1.1
59.01242	4.5
59.07177	1.1
61.98712	1.6
66.19277	1.1
66.74041	1.3
71.52082	2.1
72.67521	1.0
93.03321	3.0
95.01295	1.0
96.00311	1.1
108.02061	12.1
109.02823	1.4
121.02840	4.3
135.04408	2.1
136.01520	7.3
137.02293	4.3
145.06505	1.7
151.03889	2.8
169.06573	2.0
171.08051	6.6
172.96770	1.2
173.04478	1.5
173.05910	1.8
177.30128	1.2
179.03506	2.3
187.07573	1.3
197.06047	18.7
198.06613	1.6
199.07637	6.7
201.05519	4.1
211.07628	5.5
213.05482	3.1
213.09108	1.2
214.06235	3.9
215.07123	10.7
216.07475	1.6
224.04721	4.9
224.60600	1.1
225.05527	36.1
226.06262	13.7
227.07091	9.4
228.07492	1.2
229.08635	4.8
239.06781	1.3
241.04907	2.8
241.08673	25.0
242.05711	3.9
242.09459	30.2
243.06590	64.5
243.10231	25.4
244.07104	6.2
256.07373	2.4
257.08170	16.1
257.11816	13.2
258.08963	29.1
258.11743	1.5
259.09491	2.3
271.09787	7.4
272.10422	1.8
273.11047	1.7
287.22397	2.5
324.91553	1.0
353.08813	1.5
388.22354	1.2
478.20416	1.1
483.18243	4.6
500.18152	1.8
515.20734	100.0
516.21039	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	515.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58426	1.2
59.01242	3.6
63.33215	1.1
79.82951	1.3
93.03335	1.8
108.02051	6.1
109.02852	2.1
111.00748	9.7
119.04887	2.8
121.02806	7.3
129.01674	1.1
134.10829	1.3
135.04411	1.9
136.01566	4.3
137.02361	5.9
145.06470	1.6
145.85146	1.3
157.06557	1.4
171.04352	2.2
171.08063	4.8
173.00830	3.6
173.04509	2.6
180.05814	1.1
181.06502	2.3
189.84064	1.3
191.05492	1.3
196.05186	1.4
197.06018	16.3
198.03183	1.3
198.06575	2.3
199.07610	5.1
200.04671	1.2
201.05441	2.5
209.06007	3.3
210.06731	2.8
211.04008	1.5
211.07591	1.7
212.04630	1.3
213.05646	1.6
214.06277	2.2
215.07059	8.6
224.04709	4.7
225.05518	24.8
226.06139	5.9
227.03404	1.9
227.07027	12.1
228.07832	2.5
229.08568	3.9
239.07043	2.3
240.04218	2.5
241.04953	2.3
241.08690	1.2
242.05801	2.5
242.09399	3.5
243.06583	26.5
243.10204	21.8
243.12560	2.1
244.07246	7.4
244.10336	1.2
257.08173	17.7
257.10815	1.9
257.11859	1.4
258.08899	11.6
259.09686	3.0
271.09827	2.5
287.22202	3.9
301.08728	1.6
319.09628	1.4
329.08252	1.3
333.11182	1.5
344.88699	1.3
347.09164	5.4
348.09863	2.8
353.08429	1.4
361.10812	3.3
375.12225	3.1
377.29614	1.6
468.15662	5.4
483.18106	100.0
484.18472	14.6
500.18399	23.5
501.18649	4.4
515.20667	61.1
516.20996	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	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.4
57.03312	6.0
58.00479	2.9
59.01252	100.0
60.01591	3.4
60.77893	1.8
61.98692	7.9
66.96778	2.1
69.03323	7.8
71.01260	38.6
71.04888	2.6
72.99146	3.5
73.02816	13.8
83.01255	7.0
83.04874	2.2
85.02826	26.9
87.00764	7.8
87.04419	4.2
89.02328	16.5
93.03337	5.6
95.01221	4.0
97.02840	4.7
98.19817	9.5
99.00732	5.9
99.04385	4.1
101.02325	22.5
102.02635	3.4
109.02862	4.5
111.00810	2.6
111.04358	3.0
113.02325	22.0
119.03361	6.0
121.02832	2.8
124.46838	2.5
125.02322	4.1
129.01826	3.9
135.04411	7.0
137.02339	3.4
139.04015	2.4
143.03380	3.7
161.04427	7.8
163.03940	5.0
173.04497	10.1
179.03360	7.2
179.05537	3.1
179.10689	6.3
183.14014	2.3
191.05524	7.3
201.07576	2.2
230.46159	2.4
238.36899	2.1
251.56534	2.6
267.11639	3.9
267.15994	57.6
268.16370	5.2
309.17169	2.1
353.08844	6.0
353.23111	3.4
371.24326	4.0
515.28333	30.1
516.29022	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	517.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68964	0.7
55.01750	2.5
57.03328	0.7
59.01250	5.5
67.01776	1.0
67.17075	0.5
69.03326	31.0
69.93572	1.2
69.93967	1.2
70.03665	0.9
71.01244	2.2
72.22796	0.5
72.99186	1.0
73.02815	3.1
79.01755	1.1
81.64514	0.5
83.01240	3.2
85.02827	2.1
87.00746	1.0
87.67381	0.6
89.02319	1.1
93.03337	1.0
95.01274	1.0
97.02828	5.9
99.00758	8.8
101.02326	1.2
111.00766	1.2
111.04404	0.6
112.98673	3.2
113.02386	0.6
123.00755	0.7
127.00254	2.3
135.04431	0.9
137.09619	6.1
138.09894	0.7
141.01892	0.9
154.99782	7.0
155.10689	100.0
156.11035	6.0
161.02400	1.0
162.68941	0.6
173.04456	0.6
179.03505	0.7
181.08624	1.0
185.00835	9.3
191.05539	1.2
199.09700	62.4
200.10004	3.9
317.05130	1.2
327.10892	0.9
331.13962	48.4
332.14371	4.6
457.43649	0.6
517.15576	10.5
518.09277	0.6
518.15930	1.3
527.63794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14698	0.4
55.01761	1.1
55.54732	0.5
57.03321	1.0
59.01251	48.8
61.98712	1.0
69.03322	1.4
69.79599	0.4
69.82144	2.5
71.01254	18.3
71.04894	0.6
72.75403	0.5
72.99181	1.4
73.02817	17.6
83.01260	4.1
85.02822	4.9
87.00754	1.0
87.04366	0.5
89.02308	3.4
92.04931	0.5
92.45764	0.5
93.03339	1.8
95.01257	0.9
97.02823	1.1
99.00737	1.7
101.02319	10.3
101.05944	0.6
102.50225	0.4
104.04935	2.5
106.06512	10.1
107.04928	0.5
108.08069	18.6
109.08469	0.9
111.00715	0.6
113.02325	6.0
118.06480	0.9
119.03396	1.7
120.08054	0.7
125.02318	2.0
129.01823	0.5
131.03409	0.6
134.05991	1.3
135.04449	0.6
137.09625	0.6
143.03380	1.0
147.03162	0.9
148.03946	43.5
149.04315	1.8
152.07079	7.9
155.10710	0.8
159.42969	0.4
160.03951	30.2
161.04718	33.4
162.05530	6.4
164.03442	1.8
166.08636	3.6
168.93236	0.5
173.04486	1.5
174.05533	0.9
175.02660	2.5
176.03415	0.6
177.01857	0.6
180.74786	0.4
183.13823	0.6
192.02930	4.7
193.03729	15.0
194.04199	0.9
210.05537	0.8
225.02676	0.5
235.16972	1.1
237.06664	0.8
240.10310	3.0
242.11897	2.4
251.08295	0.7
252.08928	0.5
267.11343	5.7
268.09613	1.0
269.12946	66.8
270.13257	7.4
295.10870	73.7
296.11234	7.8
311.13913	1.0
313.11926	62.5
313.19949	1.8
314.12253	6.6
337.23810	0.7
348.82068	0.5
355.12933	11.4
355.24899	1.8
356.13354	1.4
397.22208	0.7
457.16028	2.7
457.27869	0.6
458.16586	0.6
475.17334	5.1
475.29486	0.9
476.17499	0.8
517.18268	100.0
517.29498	10.9
518.18610	17.4
518.30615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
61.98702	0.6
69.25089	0.3
78.95777	46.5
79.95041	0.3
86.56221	0.3
94.77129	0.3
96.96849	5.6
98.20599	0.6
105.44987	0.3
145.96010	0.3
149.91101	0.4
150.97972	1.5
152.99492	100.0
153.99829	1.5
169.33321	0.3
171.00580	4.2
188.35120	0.3
249.15671	0.3
271.02518	0.6
277.21832	0.9
299.01950	0.8
300.02841	0.4
315.05038	0.5
431.22034	21.7
432.22290	2.4
518.25354	3.9
519.11664	0.5
519.25836	0.4
533.58838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86143	0.5
57.03322	0.6
59.01260	5.6
65.00219	0.9
69.03336	0.8
69.25965	1.2
69.26365	5.1
71.01250	3.5
73.02822	1.4
77.93060	0.6
83.01261	1.8
85.02824	2.2
87.00767	1.0
89.02328	1.2
92.85679	0.5
93.03348	0.9
99.04350	0.8
101.02336	1.3
107.01272	1.5
109.02859	1.4
113.02363	1.3
119.03411	0.6
125.02370	2.1
125.82296	0.6
129.01871	0.7
133.02827	0.7
135.04471	0.6
137.02333	1.1
137.09593	1.0
149.04539	0.9
151.00284	2.6
151.03990	0.6
154.99796	2.1
155.10681	12.8
156.11047	1.3
167.03433	4.1
171.04382	1.2
173.04524	1.0
179.03528	0.9
191.05548	1.5
199.03946	4.4
199.09705	9.1
201.01878	1.0
215.03470	2.2
223.09569	0.7
226.02588	1.0
227.03432	3.9
243.02896	5.9
244.03639	0.8
254.02248	0.8
255.03011	8.6
256.03482	1.1
269.11856	2.2
270.01608	0.9
271.02484	71.6
272.02859	6.1
284.03067	0.6
285.04114	1.2
299.01968	100.0
300.02692	60.7
301.03140	3.9
314.04340	17.8
315.05075	38.9
316.05515	3.8
331.14038	3.4
357.09964	0.8
459.09473	0.8
491.11603	0.8
519.11377	71.6
520.11737	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	519.1144
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
56.50725	0.5
59.01252	9.0
61.98691	1.2
63.02255	0.4
63.47297	0.4
65.00197	0.8
69.03305	0.9
71.01253	3.3
71.45869	0.5
72.99175	0.6
73.02805	1.2
83.01250	1.1
85.02815	1.8
86.79261	0.5
87.00770	0.7
87.30332	0.5
89.02332	2.3
101.02336	2.6
107.01281	0.7
109.02795	0.6
110.37785	0.5
111.04400	0.5
113.02323	2.2
119.03382	0.9
147.04538	0.5
149.05939	0.5
149.09509	0.4
151.00246	1.8
155.10666	1.0
157.02811	0.5
161.04500	0.9
167.03401	1.1
171.04385	0.7
171.60117	0.5
173.04434	0.7
175.04039	0.7
183.10153	2.7
187.03966	0.5
191.05498	0.7
197.02310	0.4
199.03937	3.8
201.01807	1.0
215.03482	3.1
223.46107	0.5
226.02663	0.8
227.03462	3.7
229.01422	1.1
242.02179	7.7
243.02965	30.4
244.03264	2.1
255.02953	2.1
257.04514	8.2
258.04739	0.8
270.01672	9.3
270.04556	0.3
271.02469	44.3
272.02866	4.9
285.04068	16.5
286.04630	4.7
287.05389	0.6
299.01965	28.7
300.02667	12.3
301.03262	1.1
314.04309	33.1
315.05029	16.6
315.21664	0.6
316.05447	1.8
357.06229	1.5
459.09558	0.7
459.25967	1.8
477.26904	1.5
510.83243	0.6
519.11426	100.0
519.32220	2.4
520.11743	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	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.37819	0.2
55.01763	0.3
57.03309	0.2
59.01253	9.6
61.26218	0.2
61.98697	0.2
65.00170	1.0
70.44240	0.2
71.01253	3.7
71.53749	0.4
72.99195	0.3
73.02808	0.9
80.51102	0.2
83.01254	1.0
85.02828	1.3
87.00730	0.2
89.02317	1.6
91.01797	0.2
93.03339	0.6
95.01273	0.5
97.02811	0.8
97.06446	0.2
99.00760	0.3
101.02335	2.2
101.02953	0.4
101.87795	0.2
107.01274	0.5
108.02074	0.4
109.02822	2.6
111.00730	0.2
113.02339	1.1
119.01302	0.3
119.03374	0.7
120.09729	0.2
121.02841	3.5
125.02359	0.4
129.01790	0.2
133.02873	0.3
135.00749	0.3
135.04384	0.7
139.03906	0.4
147.00786	0.5
147.04477	0.2
148.01614	0.2
149.02354	0.4
149.99519	0.4
151.00270	1.3
155.04878	0.2
155.10660	0.4
161.04446	0.6
161.05977	0.8
163.00255	0.8
163.03981	0.4
165.01843	11.6
166.02167	0.4
171.04413	0.9
172.68129	0.2
172.74135	0.2
173.04445	0.4
175.03940	0.9
177.05392	0.2
179.03487	0.2
183.02919	0.3
183.04413	0.3
187.03928	0.7
191.03288	0.3
191.05608	0.4
193.01373	2.3
198.03177	0.4
199.03943	3.6
199.09796	0.3
201.01859	0.9
203.03392	0.7
215.03433	2.0
225.01915	0.2
226.02638	1.5
227.03415	3.8
228.04099	0.8
229.01509	0.4
231.02998	0.3
242.02180	0.8
243.02950	6.9
244.03349	0.7
254.02235	1.7
255.02946	2.8
256.03564	0.8
257.04498	0.5
259.06155	0.6
269.04553	2.2
270.01691	1.2
270.04242	0.3
271.02469	71.9
272.02847	6.8
282.01663	0.3
285.04047	2.8
286.04691	0.5
287.05530	1.6
297.03970	0.7
299.01953	100.0
300.02512	17.3
301.03186	0.6
313.03433	0.3
314.04309	90.8
315.05042	54.4
316.05408	4.4
342.14929	0.2
357.06064	0.8
357.17111	2.6
357.26352	1.6
357.38226	0.2
399.23639	0.3
422.31131	0.2
459.09085	0.4
459.25562	0.4
477.10388	4.1
478.10757	0.4
518.30371	0.6
519.11420	64.3
519.32019	3.6
520.11761	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
59.01244	6.6
71.01254	4.5
71.52721	0.9
71.61764	0.5
73.02826	1.8
73.43794	0.7
83.01266	1.9
84.02038	0.7
85.02819	1.3
87.00754	1.6
87.04421	0.6
89.02315	2.3
99.00770	0.7
101.02316	2.7
107.01263	1.0
109.02830	1.0
111.00732	0.6
113.02360	1.5
120.64771	0.7
125.02325	1.9
131.03397	0.9
133.02875	1.0
137.02335	0.7
137.09590	1.9
147.64996	0.6
148.01581	1.0
151.00298	3.3
154.99773	5.9
155.03261	0.7
155.10689	20.0
156.10966	1.3
161.04515	0.7
163.00183	0.9
167.03360	2.2
171.04359	1.3
173.04517	1.1
187.03831	0.9
191.05464	1.3
197.04436	0.7
198.02899	0.7
199.03981	3.2
199.09688	13.6
200.10020	0.9
201.01872	1.6
203.03467	1.0
215.03391	2.4
218.88625	0.7
223.09686	0.9
227.03458	4.4
241.10861	0.8
242.02087	0.8
243.02948	8.9
244.03395	1.1
254.02199	0.9
255.02968	10.9
256.03555	0.8
269.11850	1.2
271.02472	74.6
272.02881	6.2
285.04160	1.3
299.01965	100.0
300.02689	61.9
301.02991	5.4
311.10150	1.1
314.04312	19.1
315.05099	47.9
316.05502	4.3
331.13907	5.0
352.06439	0.8
357.06027	1.1
459.09131	0.8
491.11667	1.0
498.40756	0.7
519.11414	84.6
520.11743	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
73.48406	0.5
94.06314	0.6
116.35478	0.6
148.01576	1.1
151.00237	2.2
199.04041	1.4
227.03429	1.5
243.02931	4.6
255.02968	10.8
256.03409	1.1
271.02484	41.7
272.02911	3.7
274.00153	0.6
299.01974	83.7
300.02722	100.0
301.03064	9.6
314.04285	12.8
315.05099	59.1
316.05414	6.6
519.11426	43.8
520.11548	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	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92906	0.5
59.01255	2.5
63.17030	0.5
71.01250	1.3
71.29467	0.8
71.29811	0.9
73.02820	1.0
83.01273	0.8
85.42729	0.5
89.02307	0.8
89.18498	0.5
91.46732	0.5
101.02301	0.8
105.25208	0.5
107.01260	0.7
108.02060	1.0
125.02309	1.0
125.54185	0.5
133.02798	0.8
148.01537	0.9
151.00299	2.9
171.04424	0.7
199.03935	2.5
215.03502	1.5
216.04236	0.6
226.02681	1.1
227.03506	3.6
242.02156	0.6
243.02989	7.0
244.03554	0.9
254.02261	0.6
255.02971	11.0
256.03442	0.8
271.02484	63.9
272.02908	6.1
285.04245	0.8
299.01965	100.0
300.02707	75.5
301.03134	6.9
314.04309	14.3
315.05087	48.9
315.08902	0.7
316.05505	4.6
403.18033	0.6
459.09647	3.3
460.09436	0.8
519.11462	51.1
520.11865	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	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69806	0.7
55.01756	5.3
57.03306	2.7
59.00954	1.2
59.01250	21.3
65.00195	1.0
68.99686	2.1
69.03340	2.0
69.28141	7.9
71.01257	18.7
72.99174	2.1
73.02824	6.3
74.02345	0.9
75.00742	1.3
83.01250	8.2
83.87777	0.9
85.02823	9.9
87.00761	4.9
87.04377	2.3
89.02319	7.5
93.03305	1.0
95.01261	2.0
95.04884	1.2
96.99203	1.1
97.02834	1.2
99.00751	4.3
101.02318	9.5
102.72780	0.8
107.04915	2.2
108.02061	1.4
109.02847	7.2
111.00747	3.4
111.01503	0.9
111.04342	0.9
112.98686	1.7
113.02329	9.6
113.99503	4.7
115.00279	4.5
116.92815	1.0
117.03305	1.0
119.03355	2.2
119.04922	1.4
122.03641	7.0
122.95840	0.9
123.00760	1.5
124.01537	1.3
125.02347	1.2
127.00253	2.7
129.01816	2.0
131.03426	1.0
135.04413	4.4
135.08055	1.9
136.70674	1.0
137.02325	3.1
137.09608	12.9
139.00253	3.5
145.01358	1.4
147.04469	1.0
149.02199	1.0
149.04446	1.0
151.00267	3.6
154.99773	28.3
155.10683	100.0
156.11034	4.8
157.01314	2.8
161.02350	1.4
161.04477	1.7
177.01816	1.3
178.99803	2.4
179.03403	0.9
181.08594	1.9
181.12230	1.5
187.02420	1.1
187.03886	1.5
193.01360	1.1
199.09694	56.3
200.10025	3.2
202.02724	1.5
203.03394	1.8
213.11241	1.6
214.02747	1.1
215.03384	1.3
225.09320	1.0
225.11237	6.5
226.06296	7.1
227.03464	1.1
229.01283	1.6
230.02113	1.7
231.02902	2.6
241.08788	5.2
241.10562	4.8
242.01974	1.2
243.02953	2.9
245.00766	1.4
254.09425	3.9
255.03027	1.1
257.00922	1.3
258.01651	1.4
259.02460	2.5
269.00806	1.7
269.11838	28.0
270.12210	2.3
271.02454	5.3
277.05688	6.3
285.04001	2.0
286.01196	2.6
287.01926	9.2
297.00348	1.9
299.02042	5.3
300.02722	2.0
313.10751	8.4
314.00668	1.8
314.04111	2.0
315.01395	8.7
315.05099	2.2
315.15857	1.8
316.01801	1.3
319.06598	1.1
331.13998	11.1
332.14389	1.6
337.60449	1.0
357.09805	1.5
357.16940	3.4
357.26443	2.1
375.27637	1.4
438.56735	0.9
442.03113	1.1
443.65216	1.0
493.72870	1.0
519.07928	3.7
519.16870	51.4
519.31213	8.1
520.09772	1.3
520.17084	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	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60567	0.3
54.53085	0.2
54.85451	0.2
59.01251	100.0
60.01583	1.2
67.28277	0.3
69.70728	1.3
71.01260	0.6
72.86981	0.3
85.02830	0.3
98.01247	0.3
98.19888	0.4
101.02337	0.4
113.02348	0.4
197.05954	1.4
225.05507	8.8
226.05977	0.8
240.07887	11.5
241.08286	1.1
255.10248	31.5
256.10568	2.7
271.02542	0.7
299.02090	1.3
300.02783	1.1
309.79099	0.3
315.05228	0.6
357.17133	0.4
519.11908	0.8
519.32172	0.9
520.33411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
57.03321	4.8
59.01253	84.3
60.01587	1.7
61.98702	2.5
62.50874	1.2
69.03313	5.0
69.22781	8.3
69.23206	4.4
71.01257	37.4
72.99184	7.5
73.02830	10.3
75.00741	12.2
83.01254	4.4
85.02825	22.5
86.87687	1.1
87.00741	9.6
87.04394	31.2
89.02325	10.0
92.20864	1.2
93.03352	3.6
95.01262	4.0
96.95879	5.2
98.95454	3.3
99.00764	10.8
101.02328	16.6
103.63533	1.1
105.69347	1.1
109.02815	3.8
111.00755	1.9
113.02335	25.2
115.00254	1.8
116.92754	2.4
117.01805	1.4
119.03382	3.5
119.66100	1.3
122.81441	1.3
129.01852	1.8
131.03310	1.4
135.04417	1.4
135.08014	2.3
137.09615	12.0
152.07091	2.6
155.10686	54.8
156.11009	2.3
161.04483	4.3
167.10733	1.5
173.04478	10.5
175.02411	3.7
179.03377	1.5
179.05556	1.6
179.14354	1.6
181.08614	2.5
185.00804	2.1
191.05559	13.0
195.13832	3.8
199.03818	1.5
199.09727	11.0
204.68762	1.1
205.12323	3.0
217.33205	1.8
223.13362	42.1
224.13609	2.0
241.18089	2.9
243.02892	4.1
245.34450	1.2
249.06059	1.8
253.09247	5.5
253.18007	1.9
255.02881	3.2
255.12341	2.9
257.08188	2.8
271.02472	28.1
271.19147	25.3
272.02869	3.0
272.19522	1.8
273.13586	1.5
299.01984	32.0
300.02612	18.9
314.04309	15.6
315.05078	22.1
315.25262	1.6
319.10663	1.4
343.17670	9.5
357.26471	14.2
387.16772	2.3
431.15060	1.8
449.16641	3.6
457.20892	2.0
459.22498	3.2
459.29507	7.8
477.21768	1.5
477.30524	4.8
501.19598	3.0
502.20026	1.8
519.11493	23.8
519.20752	100.0
519.31714	30.0
520.11743	3.9
520.21082	14.5
520.31573	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.51607	0.3
60.01583	1.4
61.98708	0.6
69.03336	0.4
69.37083	1.0
69.37507	1.2
71.01254	5.7
71.01612	0.4
72.99165	0.3
73.02811	1.8
83.01242	0.7
85.02813	2.7
87.00754	0.6
87.04408	0.4
87.44022	0.3
89.02316	1.6
95.01275	0.7
99.00783	0.6
101.02321	2.9
102.98502	0.5
113.02322	5.3
119.03399	0.7
143.03348	0.5
146.76674	0.3
152.07150	0.4
155.10637	0.4
159.02995	0.3
161.04448	2.4
173.04459	0.5
243.03009	0.7
255.03050	0.6
255.19681	0.5
271.02457	3.2
299.01953	2.8
300.02731	4.2
301.02869	0.4
314.04465	0.8
314.92783	0.3
315.05057	3.6
315.13483	0.4
316.05493	0.5
399.23853	14.1
400.24313	2.1
417.24823	2.3
459.26044	3.7
460.26501	0.8
477.27066	0.9
519.11505	3.1
519.31842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68217	1.6
57.03320	2.8
59.01253	12.8
65.00191	3.6
65.99702	3.7
68.99722	1.9
69.26853	3.3
69.27258	14.2
71.01244	9.5
73.02829	1.9
74.80182	1.6
83.01258	2.5
84.92833	1.5
85.02824	10.5
89.02318	5.7
92.82427	1.7
95.01271	3.8
98.20574	3.3
99.00764	2.8
101.02333	2.7
107.01295	6.0
109.02839	19.9
111.00743	2.6
113.02345	3.2
121.02857	5.7
122.02396	1.8
123.00783	8.1
123.04472	2.3
124.01549	2.2
125.02325	5.3
129.01839	3.3
131.14708	1.6
133.02843	5.1
134.02386	9.4
135.00784	4.6
135.04373	2.0
136.01538	1.5
137.02354	19.2
139.03822	2.4
141.01923	1.8
145.02809	1.6
146.02380	1.7
147.00772	3.5
147.02963	2.5
147.04433	1.6
148.00363	2.9
148.01558	45.8
149.02362	15.0
151.00282	19.4
151.03941	2.6
152.01079	2.3
153.01874	1.7
155.10654	1.8
158.02379	2.7
160.03929	2.9
161.02339	5.0
162.01880	24.7
163.00304	15.2
163.02780	3.0
163.03941	6.3
164.01097	2.6
164.03436	17.7
165.01877	5.5
166.99788	5.7
167.03362	2.7
171.04395	2.6
175.00349	4.0
176.01071	4.0
176.03418	3.3
177.01849	65.2
178.02362	3.5
178.99808	13.5
179.03401	4.8
181.01448	2.6
182.24448	1.8
186.01868	9.8
190.01372	9.8
191.02078	12.9
191.03470	3.4
192.00615	2.6
193.01381	3.9
198.03122	1.8
199.03925	4.6
201.05609	2.3
202.01392	4.6
202.99817	15.2
203.01839	3.7
203.03625	2.2
204.02968	57.3
205.01401	2.0
205.03311	3.2
209.03030	2.7
214.01251	1.9
215.03543	4.0
217.04985	2.4
227.03476	8.5
228.04155	1.9
230.00861	19.8
233.04562	2.5
241.04982	2.8
242.02145	3.4
242.04442	1.8
243.02975	7.2
244.03575	2.0
245.04535	3.8
247.01152	3.9
250.05170	1.9
255.02988	4.5
259.02359	2.7
266.04541	2.3
267.02924	3.1
269.00870	2.3
270.01727	2.5
270.04364	1.9
271.02478	24.5
272.03070	7.8
273.03992	3.6
282.04037	2.9
283.02444	2.1
284.03284	3.4
285.04025	6.4
287.01965	5.2
288.02606	3.7
294.04141	7.8
295.02365	3.9
296.03152	1.9
299.01968	35.7
300.02530	11.9
301.03323	4.2
310.03491	5.1
311.04581	1.9
311.07800	8.9
312.02383	3.1
313.03503	17.5
314.03793	3.8
316.02191	20.9
317.02991	23.4
322.03531	20.0
323.04150	3.4
324.05234	2.9
329.08710	4.4
339.03790	24.9
340.01013	2.2
340.04553	49.9
341.04956	5.6
343.06808	5.1
355.06717	17.7
357.04800	7.8
358.05521	8.3
359.06024	4.1
366.08426	2.4
384.09341	49.0
385.09668	5.2
410.07306	33.5
411.07486	3.2
435.09464	4.5
462.08136	6.7
479.08191	18.3
480.08975	4.2
502.09851	34.3
503.10205	4.9
520.10992	100.0
521.11218	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	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
71.52622	0.4
78.95779	46.4
83.68639	0.3
96.96842	6.2
114.20463	0.3
126.62792	0.3
150.97917	2.0
152.99493	100.0
153.99838	2.1
159.83157	0.3
171.00546	3.7
249.30717	0.4
279.23312	1.2
376.73859	0.3
433.23587	23.2
434.23911	3.5
506.13660	0.4
506.26752	0.3
520.26843	3.4
521.16742	0.6
521.27338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42200	0.8
57.03310	1.2
59.01253	9.0
65.00200	1.7
66.03432	0.7
68.99671	0.9
69.03293	0.9
71.01250	7.5
71.41209	1.3
71.41540	0.9
73.02834	4.9
75.00748	1.8
80.99689	0.8
83.01259	1.3
85.02808	2.3
87.04383	2.5
89.02328	3.6
91.86060	0.8
93.03355	1.2
95.01268	1.9
96.99174	0.8
99.00751	1.8
101.02339	2.7
107.01260	2.6
107.41734	0.8
109.02823	2.6
109.99980	7.7
111.00745	3.4
113.02311	2.5
117.01830	0.9
119.04913	0.7
121.02859	1.1
123.00777	2.7
124.01573	2.1
125.02348	2.8
125.99467	0.8
133.02942	0.8
135.00719	0.7
135.04399	1.0
135.08023	0.8
136.01540	1.1
136.98656	1.8
137.02325	2.9
137.09610	9.3
137.99472	3.0
139.00258	10.3
139.03864	0.8
143.04974	0.9
147.04436	0.9
148.01602	0.9
149.02382	2.1
151.00267	8.8
152.01064	5.2
153.01849	2.3
155.10681	100.0
156.11003	4.8
159.04396	1.2
161.02461	1.1
163.00291	3.0
164.01074	3.2
164.98164	1.5
165.01843	1.6
165.98999	12.3
166.99773	6.0
171.04427	1.8
173.04442	0.9
174.03156	1.5
175.03899	1.2
178.99780	10.4
180.06607	0.9
181.01407	1.1
183.04454	1.3
187.03975	1.0
189.01857	1.8
191.05617	1.1
193.01414	1.5
193.98427	1.6
194.99229	1.6
198.03180	1.8
199.03952	3.9
199.09691	84.8
200.10060	3.7
201.01898	2.7
202.02673	1.2
203.03416	2.8
206.99309	1.1
213.01926	1.5
213.11287	1.0
214.02631	2.1
215.03438	3.0
216.04152	0.9
218.02122	1.0
226.02640	1.4
227.03459	4.8
229.01248	1.7
230.02213	1.0
231.02946	3.1
232.03798	1.0
241.10822	2.8
242.02132	5.1
243.02942	8.8
244.03482	1.4
245.04373	0.8
255.02975	5.9
259.02478	4.7
260.03159	1.2
270.01675	5.8
271.02463	40.3
272.03024	6.5
273.03955	3.8
273.07431	0.7
287.01956	22.1
288.02542	7.8
289.03168	0.9
299.01978	26.5
299.05399	1.6
299.11444	0.9
300.02393	3.2
315.01489	1.8
316.02228	84.8
317.02908	32.8
317.12405	23.7
317.15192	0.8
318.03348	2.1
318.12665	2.3
359.14484	1.2
359.24277	1.0
373.14206	2.1
385.07712	1.4
403.16064	4.5
461.07098	5.1
479.08234	1.1
521.09418	93.3
521.18573	23.2
521.30225	3.0
522.09741	12.3
522.19092	3.3
547.27222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0932
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.70724	0.2
57.03344	0.7
59.01250	3.1
61.40874	0.2
63.02271	1.7
65.00191	3.6
67.01783	0.3
68.99715	1.1
69.03336	0.5
70.01702	1.2
71.01262	1.4
72.99201	0.5
73.02818	1.7
80.99707	0.6
82.00523	0.4
83.01266	2.8
85.02842	0.7
87.00758	0.3
89.02328	0.4
91.01788	0.3
93.03345	0.5
95.01242	2.1
96.99216	0.4
99.00800	0.3
101.02367	1.0
106.86977	0.2
107.01266	5.4
108.02071	0.5
108.99232	0.4
109.02846	2.6
109.99982	15.4
111.00788	5.7
113.02365	0.5
117.01810	0.4
119.01383	0.4
121.02885	0.7
123.00771	3.9
123.04410	0.3
124.01561	2.2
124.98761	0.8
125.02340	4.7
125.99500	0.6
133.02904	0.8
134.03636	0.5
135.00827	0.6
135.04459	0.3
136.01553	1.2
136.98711	2.7
137.02339	1.6
137.09636	1.4
137.99486	6.5
139.00272	20.3
139.03923	0.5
140.00676	0.7
141.01805	0.5
141.99001	0.7
143.04974	0.4
143.43637	0.2
145.02838	0.4
146.03642	0.7
147.00800	0.3
147.04411	0.4
148.01613	1.6
149.02374	1.4
149.99483	0.4
150.03091	0.5
151.00276	15.7
151.03937	0.4
152.01065	8.4
153.01779	1.0
155.04944	0.6
155.10684	14.8
156.11079	0.5
158.03609	0.4
159.04445	1.0
161.02345	1.4
161.06000	0.3
163.00285	2.2
163.03841	0.5
164.01083	3.2
164.98230	1.6
165.01842	0.6
165.05515	0.4
165.98993	23.8
166.99773	9.5
168.00258	0.3
169.01392	1.8
170.03708	0.3
171.04457	1.7
172.05194	0.4
173.02405	0.7
174.03102	1.3
175.00247	0.3
175.03917	1.4
176.01027	0.9
177.01799	0.5
177.05362	0.2
177.98990	0.3
178.99785	18.4
180.00307	1.0
181.01387	0.5
181.08621	0.5
182.03603	0.4
183.02998	0.3
183.04445	1.4
185.00919	0.4
185.02443	0.7
186.03175	0.9
187.03903	1.8
188.04643	0.8
189.01884	0.9
189.05380	0.3
190.02649	0.6
190.99789	0.7
191.03391	0.5
192.00607	0.5
193.01350	1.1
193.04991	0.3
193.98500	1.8
194.99294	1.7
197.02419	0.5
198.03189	1.7
199.03903	3.6
199.09705	11.0
200.04572	0.7
200.10057	0.4
201.01898	3.2
202.02606	0.7
203.03499	1.8
205.01384	0.5
206.99298	1.1
207.02838	0.3
208.00099	1.0
211.04013	0.8
213.01947	0.6
214.02628	1.8
215.03433	2.7
216.04143	1.5
217.01346	0.8
217.04959	0.5
218.02267	0.4
219.02843	0.7
225.01973	0.4
226.02673	1.5
227.03464	5.9
228.03925	0.7
229.01405	1.3
230.02133	0.9
231.02943	3.1
232.03609	1.3
233.00914	0.3
239.03432	0.3
241.01472	0.5
241.10806	0.4
242.02164	4.6
243.02957	8.8
244.03688	3.0
245.04477	1.1
247.06004	0.5
253.01611	0.3
253.10834	0.5
255.02940	4.4
256.03632	1.4
257.00809	0.5
258.01727	0.4
259.02463	5.7
259.05176	0.3
260.03195	1.0
261.03949	0.6
269.00830	0.3
269.04895	0.3
270.01685	8.6
271.02466	45.7
272.02988	5.8
273.04050	2.4
284.03278	6.8
285.03751	0.4
287.01971	30.3
288.02557	5.7
289.03177	0.7
289.07144	0.7
297.04041	0.4
298.01175	0.5
299.01950	23.1
299.05582	13.6
300.02347	2.6
300.05930	0.9
301.03491	0.7
313.03665	0.4
315.01532	1.6
315.04605	0.4
316.02228	100.0
317.02948	58.4
317.06073	1.1
317.12375	3.6
318.03348	4.6
331.13940	0.3
341.03046	0.4
354.64908	0.3
359.04184	0.6
403.16107	1.0
436.81049	0.3
477.10364	0.7
479.08380	4.3
480.08359	0.6
489.44452	0.3
503.08240	0.8
503.18118	0.3
521.09216	78.8
522.09601	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	521.0933
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03308	1.7
59.01250	18.9
63.02269	0.9
65.00195	2.7
67.01752	1.3
68.99677	0.9
69.03342	0.9
70.93161	1.0
71.00856	0.7
71.01252	14.4
72.99171	1.8
73.02800	3.7
74.02327	1.2
75.00738	0.8
81.03318	0.8
83.01254	4.1
85.02813	4.3
87.00764	1.7
87.04382	1.1
89.01817	0.8
89.02319	9.4
90.98436	0.7
93.03320	1.2
95.01257	4.1
95.04846	0.6
97.02845	0.9
99.00743	2.0
99.04376	1.0
101.02313	7.2
103.70512	0.5
105.06940	1.3
107.01276	4.1
108.02032	2.2
109.02834	6.7
109.06449	0.6
109.99971	4.2
110.47546	0.5
111.00774	4.2
111.04365	1.0
113.01631	0.6
113.02335	7.1
119.01200	0.6
119.03366	3.3
121.02829	1.3
122.03606	1.4
123.00768	4.8
123.04419	3.1
123.07994	0.6
124.01527	3.1
124.98627	0.5
125.02338	4.4
133.02829	1.0
135.00777	1.0
135.04393	2.3
136.01518	0.9
136.98701	1.5
137.02345	2.6
137.05952	1.3
137.09563	1.0
137.99411	1.6
138.03056	1.7
139.00294	5.5
139.03906	0.6
141.01816	0.7
143.04637	0.6
145.02832	0.8
146.03622	0.9
147.00702	0.7
147.04451	0.7
148.01520	1.6
149.02315	1.8
150.03119	0.9
150.99150	1.0
151.00272	11.8
151.03850	0.7
152.01082	6.7
153.01868	3.4
153.09120	0.6
153.12817	0.6
154.99757	2.0
155.10689	5.3
156.00005	0.6
156.10977	1.3
159.04364	1.0
159.08034	0.8
161.02292	1.3
161.04448	0.9
161.05759	0.5
163.00296	3.7
163.03885	0.8
164.01082	4.0
165.01788	1.6
165.98988	5.4
166.99756	4.4
169.01329	1.8
171.04420	2.7
173.02283	1.4
173.04469	1.2
173.05914	0.7
175.00197	0.7
175.03877	2.2
176.01044	0.5
177.01770	1.2
178.99771	10.9
179.05563	1.1
180.00209	1.1
181.01254	0.8
183.04347	1.1
185.02281	1.3
187.03911	3.3
188.04579	1.0
189.01848	1.7
189.05409	0.6
190.99733	0.9
191.03392	1.2
191.05521	1.1
192.00537	1.2
193.01248	1.1
193.41269	0.5
197.02391	1.0
198.03111	1.4
199.03955	4.2
199.09712	2.9
200.10004	1.1
201.01823	1.8
202.02489	0.6
203.03366	2.4
203.07056	1.1
205.08464	0.8
211.03876	1.5
213.01875	1.6
214.02701	2.6
215.03485	3.9
216.04054	1.7
217.01437	0.9
217.04910	1.1
219.02966	1.2
223.02423	0.6
226.02614	1.9
227.03441	7.2
227.06956	1.4
228.03897	0.7
229.01341	2.0
231.02989	3.3
232.03604	1.5
241.01355	2.0
242.02150	6.1
243.02943	10.4
244.03540	2.2
245.04417	1.1
253.15846	0.8
255.02950	6.0
256.03458	0.9
259.02454	5.4
260.03021	1.5
270.01697	9.0
271.02463	35.9
272.03085	8.0
273.03983	6.3
284.03140	2.9
285.03867	1.0
287.01950	18.4
288.02591	8.5
289.03412	1.6
297.14893	3.6
298.01114	2.2
299.02011	28.9
299.05453	4.2
300.02481	3.0
301.03333	0.8
315.01321	1.8
315.07401	0.6
316.02209	54.3
317.02948	27.0
317.06357	0.8
318.03336	2.0
341.13913	27.7
342.14166	2.7
344.12570	0.8
353.08661	0.9
359.10754	0.8
359.15051	9.5
359.24057	0.6
359.28040	1.2
377.29031	1.5
385.07581	2.2
409.07541	0.5
451.25711	0.7
472.62512	0.6
477.10187	1.9
479.08154	1.5
503.08334	2.6
520.26788	1.0
521.09253	100.0
521.33508	8.9
522.09515	14.4
541.62732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37048	1.2
55.01755	2.9
57.03320	5.7
58.00459	2.9
59.01252	64.1
60.01566	1.4
61.98695	4.0
69.03329	2.8
69.82423	7.2
71.01256	51.9
72.99191	4.4
73.02821	12.8
77.46484	1.2
83.01257	7.1
85.02824	24.7
87.00755	4.8
87.04379	1.6
89.02324	20.9
90.02684	1.7
93.03341	5.0
95.01267	3.8
97.02828	2.5
98.20482	1.8
99.00776	6.2
101.02322	34.4
107.04910	71.3
107.57342	1.4
108.05279	3.1
109.02843	5.0
111.00798	3.3
111.04432	1.8
113.02337	15.8
119.03394	8.4
121.02849	14.3
122.03619	18.5
124.01524	1.6
125.02372	4.0
126.35699	1.3
131.03444	1.7
135.04413	1.8
137.02316	4.2
137.09599	1.5
141.56859	1.4
143.03413	3.0
151.03896	3.1
154.02635	1.7
155.10718	3.6
159.02940	2.1
161.04483	7.5
167.03395	2.6
167.10663	2.0
173.04503	9.0
177.01842	2.1
179.05600	4.0
191.05539	9.2
197.06003	2.9
229.08679	36.7
230.09023	3.4
255.06541	1.8
256.06714	1.3
273.07712	21.1
273.11359	14.8
274.08145	2.0
274.14471	3.3
293.08899	3.1
295.22910	1.5
300.53152	1.3
317.14978	2.5
326.04367	2.0
359.15103	1.5
359.28040	32.2
360.28485	2.3
373.15244	1.4
435.12921	7.1
460.26889	1.4
477.14008	48.1
478.14355	8.0
489.10638	2.7
521.11908	3.1
521.33398	100.0
522.33905	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	521.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09947	0.6
57.03268	1.0
58.00421	1.4
59.01167	9.3
59.01493	1.6
69.81937	1.1
69.82343	3.4
71.01168	3.5
73.02731	2.4
85.02770	1.3
89.02254	1.4
95.61880	0.6
99.00692	0.9
101.02230	2.6
109.02727	1.2
113.02230	1.9
115.80148	0.7
119.03258	0.8
122.05997	3.0
125.02210	1.0
129.01692	0.8
132.04318	1.3
144.04308	2.4
146.06010	1.4
149.05798	0.9
150.05426	1.1
160.03851	1.6
161.04535	0.7
162.05382	1.5
164.06987	0.9
172.03896	3.4
173.04407	1.9
174.05406	2.6
176.03375	0.9
176.06903	1.2
178.99768	0.7
188.07057	0.8
190.04887	2.4
191.05594	1.1
202.04939	1.1
203.05678	0.8
204.06618	8.5
205.07149	1.5
216.06523	1.4
228.06395	0.7
229.13249	0.8
230.04518	1.2
231.05173	1.5
232.06018	1.6
237.10191	1.4
238.10933	1.3
239.07999	0.7
239.11729	0.8
240.08917	0.8
241.09587	1.2
248.05595	3.7
251.11850	0.7
253.06017	1.2
253.09706	0.8
253.13466	6.2
254.11754	1.1
255.11299	1.4
262.07108	2.2
267.07614	1.8
267.11368	1.0
268.08258	2.0
269.09366	1.0
269.12729	1.4
271.09808	1.3
279.07645	0.8
279.11121	1.1
280.08484	1.1
281.09256	2.9
282.09811	1.4
283.10721	2.6
284.05740	0.8
289.07080	1.9
295.07437	1.1
295.10760	4.2
296.11566	2.7
297.12433	21.6
298.12704	2.4
298.68140	0.7
301.11685	0.7
311.10519	0.7
311.13956	2.2
313.11832	0.9
314.09186	0.9
317.06659	0.9
319.10956	0.7
323.10245	1.5
323.13776	1.1
325.11841	4.7
327.09729	0.7
327.13419	0.9
328.10443	1.5
329.14954	1.4
337.11850	1.0
339.13452	1.1
340.87476	0.7
341.11130	1.2
353.11432	1.3
355.13000	26.8
356.13312	3.3
359.12585	0.8
363.09692	0.9
367.12842	3.2
369.10800	0.9
371.12592	0.9
381.10773	1.6
387.15588	2.6
391.12952	1.1
399.11960	15.8
400.12332	1.9
401.13412	8.1
401.18195	15.2
402.13742	1.1
402.18634	1.5
411.12054	2.3
413.13620	1.3
419.19275	5.4
429.13043	1.0
431.14560	100.0
432.14874	14.0
443.14606	8.0
444.15195	1.4
453.13181	1.3
461.15048	11.0
461.20593	3.7
462.15622	1.0
462.21506	0.7
467.14667	2.9
485.15762	4.5
503.16910	3.4
521.17822	31.0
521.24548	1.1
522.18170	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	521.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41547	1.8
59.01238	7.2
69.03299	2.1
71.52567	2.2
76.16244	1.9
78.95770	26.6
96.96863	2.3
110.44169	1.7
113.09628	2.4
130.92982	2.0
152.99487	18.5
168.04254	2.2
177.01666	2.2
195.13831	24.3
196.14172	11.4
205.12299	2.4
223.13330	8.2
242.08009	2.4
245.04256	4.0
275.20111	6.1
277.21713	8.2
278.22070	17.0
289.85199	2.0
293.21225	81.0
294.21515	10.7
295.22791	51.0
296.23111	100.0
297.23315	7.5
313.76050	2.2
314.86990	2.3
325.23795	2.0
347.67368	2.0
452.70578	2.1
521.25116	52.8
521.31079	19.1
522.25342	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	521.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19497	1.0
53.51941	1.0
57.03338	1.1
57.19038	1.0
59.01251	5.3
61.98680	1.0
69.03330	1.8
71.01250	1.5
72.52264	0.9
73.02863	1.0
76.12302	1.0
76.55267	1.2
78.95782	25.4
94.52655	1.1
96.96851	1.9
97.06478	1.0
106.34718	1.2
113.09615	3.0
152.98328	1.4
152.99490	17.0
162.42792	1.4
168.04228	2.4
171.00584	2.9
177.12857	1.3
179.14275	1.5
180.14664	1.3
185.00815	2.0
195.13858	25.1
196.14180	8.5
205.12244	1.1
223.13356	7.2
228.13622	1.3
231.21146	1.5
242.07964	3.9
243.08252	1.6
245.04340	2.0
256.13239	1.3
275.20102	5.3
277.21695	6.9
278.22079	12.8
293.21237	83.4
294.21509	9.3
295.22791	50.1
296.23129	100.0
297.23322	6.0
387.98621	1.1
439.97504	1.3
520.30182	2.0
521.25104	43.6
521.31158	16.8
522.24811	8.9
522.31561	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	521.2755
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
55.01757	0.9
57.03319	0.8
59.01252	100.0
60.01575	1.4
61.98708	0.6
63.21840	0.3
67.47961	0.3
69.03328	7.0
70.65552	0.9
71.01257	7.9
72.99170	0.4
73.02822	2.6
79.79310	0.3
83.01270	1.6
85.02821	3.6
87.00741	0.4
89.02332	1.8
95.01297	1.0
97.02834	1.8
99.00765	2.8
100.06277	0.3
101.02328	4.7
101.02930	0.5
101.60645	0.3
113.02333	3.7
119.03445	0.7
119.04953	0.4
121.02862	0.3
125.02356	0.8
135.04410	0.4
137.02390	0.4
141.01820	0.3
147.04469	0.3
161.04439	2.0
173.04549	0.5
185.00832	4.4
191.05493	0.4
211.13478	0.3
213.14871	0.4
241.08711	0.5
242.09520	0.4
257.11826	5.9
258.12360	0.6
317.21185	3.2
461.25888	1.4
461.31445	1.3
462.26416	0.4
468.16940	0.3
479.26459	7.4
480.27203	1.2
521.27008	0.9
521.33936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.8
57.03325	2.8
59.01254	85.4
60.01604	1.8
61.11203	1.2
63.47728	1.2
63.91248	1.0
70.73030	2.1
71.01257	18.6
72.99179	1.5
73.02814	8.5
75.00760	2.5
80.50756	1.1
83.01260	4.5
84.09716	1.1
85.02818	8.4
89.02339	6.9
93.03316	1.4
99.00765	2.6
101.02326	15.9
101.02945	1.9
109.02835	1.9
113.02328	6.5
120.08077	1.6
123.04444	1.1
135.04420	1.4
137.02365	1.7
149.04428	2.0
155.10712	5.5
159.03032	1.4
161.04500	3.5
163.60695	1.1
165.01755	1.5
173.04517	3.7
179.03380	1.4
191.05542	3.2
199.09692	2.4
211.01436	1.1
215.00066	1.1
227.07021	2.4
244.07414	1.2
259.09747	3.6
301.11887	2.5
319.12973	1.9
377.21893	2.0
419.22940	2.8
461.23767	6.6
463.21829	13.7
464.21738	1.5
479.24994	100.0
480.25363	19.0
523.19452	2.4
523.31384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02723	0.6
57.03325	0.8
57.62304	0.7
59.01256	1.9
61.98720	1.3
78.95778	9.4
80.71175	0.6
85.77852	0.6
98.19781	2.4
113.09628	2.7
115.97965	0.6
124.43230	0.7
138.26517	0.6
152.99490	13.0
171.00592	1.6
179.14310	0.9
180.63963	0.6
195.13847	18.3
196.14185	1.8
227.03151	1.2
232.89183	0.7
245.04256	2.4
277.21762	15.6
278.22043	1.6
295.22781	100.0
296.23187	9.9
523.13971	1.9
523.26770	47.7
524.26862	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	523.2911
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01740	1.7
57.03306	2.2
59.01252	49.7
60.01589	0.6
69.03319	2.0
70.06785	2.3
71.01255	22.9
72.99171	2.3
73.02441	1.0
73.02821	10.7
79.02639	0.6
83.01257	4.9
85.02828	10.2
85.93974	0.6
87.00753	2.3
89.02315	5.3
95.01263	2.0
97.02836	0.8
98.19872	0.6
99.00762	3.0
99.04390	1.2
101.02322	13.2
102.02645	0.5
113.02324	8.0
119.03379	2.1
125.02332	1.3
141.01706	0.6
143.03406	1.3
150.06821	0.5
161.04494	1.8
228.72943	0.8
301.21777	1.7
303.23309	14.0
304.23685	1.8
318.22055	0.7
319.22717	4.2
415.50504	0.6
463.26962	8.4
464.27115	2.0
481.27963	13.4
482.28302	3.0
523.29108	100.0
524.29413	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71630	0.4
55.01558	0.3
55.01757	3.5
57.03324	4.1
58.00482	1.9
58.00726	0.5
59.01251	31.3
60.01559	0.5
61.98690	0.7
64.06872	0.4
68.82706	0.4
69.03326	0.9
69.47068	0.8
69.47475	2.6
71.01254	40.5
72.01586	0.4
72.99173	3.1
73.02815	9.4
74.02341	2.3
75.00739	0.7
78.66171	0.4
78.95756	0.5
83.01261	5.3
83.04893	0.5
85.02823	17.4
85.99950	0.5
87.00751	3.5
87.04405	0.9
89.02316	15.4
89.16257	0.4
93.03320	0.7
95.01270	3.0
97.02824	1.1
98.28813	0.3
99.00751	3.8
101.02323	27.7
102.12053	0.4
109.02829	0.8
111.00745	1.4
111.04420	0.5
113.02336	15.4
114.02650	0.5
114.60680	0.4
119.03397	6.4
122.05997	1.4
125.02332	1.6
129.01776	0.8
131.03423	0.5
134.06001	0.4
135.04430	1.0
137.02306	0.4
141.12732	0.4
143.03383	2.4
149.04494	0.4
152.07100	2.3
159.02887	2.4
161.02390	0.5
161.04475	7.1
162.04784	0.5
169.12157	0.5
173.04469	1.8
179.03319	0.6
179.05553	3.2
191.05513	1.4
210.01372	0.4
210.06601	0.5
251.20445	0.5
281.09305	0.5
282.09634	0.9
283.10852	0.6
299.22183	0.6
301.23996	0.6
315.25452	1.1
345.26416	1.0
359.27994	1.7
361.29581	31.7
362.29849	3.7
389.25348	0.7
407.07486	0.6
432.61377	0.4
447.17502	0.9
467.49042	0.4
470.27493	0.5
492.17682	0.8
505.14828	0.8
523.34869	100.0
524.20343	1.3
524.35486	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	525.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47882	1.9
55.76341	2.2
59.01232	2.8
62.08743	1.7
62.24590	1.8
67.01405	4.1
67.01760	66.9
68.02105	2.2
68.23260	1.8
68.99715	1.9
71.01269	3.2
71.52164	2.5
72.99200	1.8
79.04401	1.9
85.09793	2.0
87.00760	3.9
89.02328	2.6
95.01276	3.0
99.00765	2.6
101.02318	3.2
108.90078	15.8
110.65458	2.0
117.01835	1.8
139.00273	100.0
140.00581	3.9
149.04427	3.1
168.91396	1.9
179.30983	2.1
182.83447	3.2
182.96944	9.5
182.99274	77.0
183.99686	3.4
200.97339	1.7
218.18188	2.0
242.98198	2.6
244.01407	2.0
244.91415	2.1
262.53223	1.9
264.50482	2.0
341.10919	2.4
377.08551	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	525.1917
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
63.67276	0.5
71.51848	0.5
72.99458	0.6
73.55978	0.5
115.08369	0.5
170.71619	0.6
185.06042	1.0
193.61377	0.6
195.04433	5.1
196.05072	1.6
197.05864	1.1
211.03941	4.1
223.03975	6.6
224.04721	4.4
225.05411	1.9
226.06250	1.0
238.06291	4.3
239.03487	3.8
239.07036	1.9
240.04228	7.2
240.07867	0.9
241.04645	0.9
245.95175	0.6
253.08566	0.8
254.05843	2.0
255.06525	4.2
269.08215	1.4
272.08530	0.8
289.04697	0.8
291.06552	0.8
297.24313	0.6
315.06778	0.9
316.07217	0.8
329.04401	4.0
330.04706	0.8
331.09665	0.7
344.06866	4.8
345.07523	0.6
359.09109	3.3
375.10098	0.8
391.09705	1.4
406.12317	0.9
418.08163	0.7
419.09454	2.2
430.08115	0.7
433.10754	2.2
434.11972	3.2
435.12347	0.7
447.08615	2.1
449.14023	5.3
450.14682	0.8
461.10291	1.5
462.10968	4.8
463.11523	1.3
467.14819	1.0
476.12576	1.9
477.13440	13.7
478.14096	3.5
479.14053	0.6
483.15213	0.6
491.15186	1.8
492.15598	5.9
493.16464	2.4
494.17111	0.7
495.14685	5.7
496.14767	1.6
507.18066	4.3
508.18335	1.0
510.16806	10.8
511.17142	1.5
525.19196	100.0
526.19537	20.9
550.85815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1921
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
59.01244	1.8
60.05833	1.4
83.72392	1.6
91.90791	1.5
114.66895	1.4
120.10207	1.8
130.04164	1.6
137.07541	1.9
171.31697	1.4
195.04456	17.2
196.04945	3.2
197.06029	1.7
211.03967	5.2
223.03957	26.0
224.04724	20.0
225.05496	3.7
238.06348	18.1
239.03477	3.9
239.07095	9.1
240.04289	3.4
240.07816	2.3
251.07155	2.1
253.08757	5.2
263.03452	2.7
347.88852	1.9
357.11099	1.8
391.09848	4.1
392.10110	2.1
403.09491	2.9
404.10461	2.6
407.12872	4.8
419.08890	2.9
419.13748	2.7
422.15369	2.4
433.10889	3.1
434.11261	3.6
435.12216	2.6
444.10312	2.1
445.10693	4.3
449.13303	14.3
450.14224	3.5
459.12302	3.4
460.13214	3.1
461.10248	1.9
462.11292	6.7
463.11710	2.7
476.12762	5.7
477.13361	29.3
478.14053	7.5
481.20825	2.1
491.14899	7.7
492.15671	25.5
493.16519	19.0
507.18097	100.0
508.18500	22.2
510.17172	5.0
525.19336	73.6
526.19623	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43987	2.8
61.98684	5.1
70.75542	2.8
93.65490	3.2
102.41477	3.6
109.02804	4.1
127.96428	3.0
139.00243	5.0
139.35884	3.5
151.00261	6.3
165.10352	3.1
178.99747	7.5
184.08896	3.3
243.02847	4.1
255.02959	19.2
271.02472	38.5
272.03015	3.9
300.02734	66.6
301.03491	29.9
463.08832	100.0
464.09131	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	526.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
57.52215	0.6
58.90891	0.5
59.01255	10.7
61.55890	0.5
61.98702	4.9
69.03328	0.8
69.70042	1.3
69.70437	2.3
71.01257	4.1
73.02814	1.1
75.00740	0.8
83.01288	0.5
85.02837	0.8
87.00732	0.7
89.02300	1.3
93.03343	1.3
97.02855	0.8
99.00739	0.6
101.02336	2.0
102.16833	0.5
113.02322	1.2
113.50325	0.5
122.05991	1.0
123.04382	0.7
124.03932	0.8
125.02371	1.1
135.04396	1.3
137.02290	0.9
150.09166	4.6
151.00246	0.7
152.07220	0.6
155.10739	0.6
157.03998	0.9
158.04678	0.7
158.05951	0.6
159.01929	1.8
159.05602	0.6
161.02293	0.9
161.04543	0.6
161.07097	0.7
171.05571	2.1
172.07603	0.9
173.04472	1.6
173.07143	1.9
174.05542	1.7
184.07567	0.7
185.03456	1.2
185.07188	1.5
186.04237	1.0
187.01439	7.7
187.05046	1.2
191.05531	1.5
192.10222	1.3
193.08807	0.6
195.02925	0.8
199.05084	6.1
200.02226	4.1
201.06720	3.0
202.05241	0.6
204.01706	0.8
209.07101	0.7
211.08786	0.7
213.06638	1.5
215.04550	2.0
216.06694	0.6
225.06778	0.7
227.04616	3.9
227.08249	1.9
228.01738	1.8
228.06853	0.8
229.05963	2.7
230.04674	0.6
230.06866	1.5
231.07796	1.7
235.13387	0.8
239.08241	1.3
240.02975	2.1
241.02548	0.7
241.06137	4.5
242.06876	2.0
243.04121	4.3
244.06125	1.7
253.02449	0.9
254.04544	1.9
255.03877	0.8
255.04767	0.8
255.07704	16.4
256.08267	1.2
257.05640	10.1
258.06366	5.0
259.07004	0.6
265.06113	2.8
267.07965	0.8
268.04919	2.3
269.05664	5.9
269.08408	0.8
270.06265	1.5
271.03409	0.9
271.06760	0.8
282.06699	1.0
283.07239	84.0
284.07730	9.7
285.08725	1.2
289.08029	1.0
290.09140	1.4
297.08777	1.9
298.09451	3.2
301.03659	1.4
311.06763	5.2
315.06146	1.3
325.08325	6.2
326.09048	19.9
327.09555	3.5
329.08267	0.6
365.19821	0.7
432.15747	1.0
450.16696	100.0
451.17029	16.7
463.08981	1.2
494.15613	2.9
495.15848	1.1
503.15710	0.6
508.17007	0.6
526.18311	61.2
527.18372	12.5
527.24658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98691	30.8
65.00197	19.2
66.09448	6.0
69.03322	7.1
69.41099	30.5
69.41521	29.4
71.01250	33.9
72.99174	10.4
73.02827	22.5
75.00745	8.0
75.85963	6.2
81.03322	9.1
83.01266	15.0
85.02809	13.7
89.02309	15.7
93.03337	9.4
95.01280	13.5
96.95861	16.5
99.00762	13.1
99.04376	7.2
101.02324	19.3
107.01263	14.8
109.02820	15.2
111.00780	34.2
111.04371	8.4
113.02329	16.4
117.38371	6.8
123.00748	20.0
123.04420	11.2
124.01527	14.4
125.02341	25.6
127.58632	6.5
133.02832	7.6
135.00748	9.4
135.04434	16.2
137.02371	20.2
138.05486	10.0
139.00294	28.9
141.01868	7.3
149.02371	8.6
151.00262	58.8
151.43365	7.9
152.01042	16.2
153.01852	12.3
154.99725	14.6
157.01312	9.4
161.02260	8.1
163.00235	15.7
165.01901	10.8
169.01358	15.4
173.04507	16.0
174.03145	8.7
175.03957	10.4
177.01839	13.1
178.99777	59.2
179.03305	10.5
185.00830	7.6
191.03729	7.0
191.05502	17.0
193.01346	32.6
198.78151	7.6
199.09798	6.8
201.01982	10.2
202.02603	10.0
203.03479	22.2
205.01387	9.3
206.99280	43.4
208.00055	41.2
209.00874	25.9
214.02592	7.7
215.03413	16.9
217.01294	9.6
218.02182	8.1
229.01273	9.0
230.02084	8.2
231.02988	16.2
232.03607	8.1
235.02359	8.6
242.02129	13.5
243.02867	37.7
245.00842	11.0
258.01736	13.2
259.02441	25.2
270.01871	17.7
271.02441	43.7
272.03049	11.2
285.04050	13.9
286.04703	9.9
287.01917	28.4
291.05322	7.1
299.02072	19.7
300.02707	21.5
301.03531	15.3
302.04034	8.9
303.05045	18.5
304.05832	9.1
305.10376	8.2
311.10471	9.4
313.03510	17.7
314.04291	27.0
315.01566	22.4
315.04968	8.2
317.02945	11.2
319.04498	19.6
329.02960	17.7
347.04007	28.8
352.03369	7.3
371.05978	14.9
377.07028	8.7
383.73401	7.1
387.12067	11.9
434.16519	8.5
463.09161	7.9
477.10574	55.0
478.10501	15.0
493.09970	53.4
494.10303	9.7
495.07602	13.6
509.09024	13.6
527.10382	26.9
527.24780	75.1
528.19214	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	527.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98691	30.8
65.00197	19.2
66.09448	6.0
69.03322	7.1
69.41099	30.5
69.41521	29.4
71.01250	33.9
72.99174	10.4
73.02827	22.5
75.00745	8.0
75.85963	6.2
81.03322	9.1
83.01266	15.0
85.02809	13.7
89.02309	15.7
93.03337	9.4
95.01280	13.5
96.95861	16.5
99.00762	13.1
99.04376	7.2
101.02324	19.3
107.01263	14.8
109.02820	15.2
111.00780	34.2
111.04371	8.4
113.02329	16.4
117.38371	6.8
123.00748	20.0
123.04420	11.2
124.01527	14.4
125.02341	25.6
127.58632	6.5
133.02832	7.6
135.00748	9.4
135.04434	16.2
137.02371	20.2
138.05486	10.0
139.00294	28.9
141.01868	7.3
149.02371	8.6
151.00262	58.8
151.43365	7.9
152.01042	16.2
153.01852	12.3
154.99725	14.6
157.01312	9.4
161.02260	8.1
163.00235	15.7
165.01901	10.8
169.01358	15.4
173.04507	16.0
174.03145	8.7
175.03957	10.4
177.01839	13.1
178.99777	59.2
179.03305	10.5
185.00830	7.6
191.03729	7.0
191.05502	17.0
193.01346	32.6
198.78151	7.6
199.09798	6.8
201.01982	10.2
202.02603	10.0
203.03479	22.2
205.01387	9.3
206.99280	43.4
208.00055	41.2
209.00874	25.9
214.02592	7.7
215.03413	16.9
217.01294	9.6
218.02182	8.1
229.01273	9.0
230.02084	8.2
231.02988	16.2
232.03607	8.1
235.02359	8.6
242.02129	13.5
243.02867	37.7
245.00842	11.0
258.01736	13.2
259.02441	25.2
270.01871	17.7
271.02441	43.7
272.03049	11.2
285.04050	13.9
286.04703	9.9
287.01917	28.4
291.05322	7.1
299.02072	19.7
300.02707	21.5
301.03531	15.3
302.04034	8.9
303.05045	18.5
304.05832	9.1
305.10376	8.2
311.10471	9.4
313.03510	17.7
314.04291	27.0
315.01566	22.4
315.04968	8.2
317.02945	11.2
319.04498	19.6
329.02960	17.7
347.04007	28.8
352.03369	7.3
371.05978	14.9
377.07028	8.7
383.73401	7.1
387.12067	11.9
434.16519	8.5
463.09161	7.9
477.10574	55.0
478.10501	15.0
493.09970	53.4
494.10303	9.7
495.07602	13.6
509.09024	13.6
527.10382	26.9
527.24780	75.1
528.19214	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	527.1713
Annotation	Gnetifolin C
Peak:m/z	Relative Intensity
51.30074	0.8
59.01252	6.5
60.79391	1.0
61.98690	3.4
71.01241	1.7
71.52785	1.7
77.51543	0.8
87.00752	3.5
101.02298	1.5
111.04427	1.9
113.02309	1.5
125.02345	2.3
163.11197	1.2
164.99442	0.9
195.04420	4.8
195.31395	1.0
196.05237	2.7
197.05978	1.8
198.60425	1.0
209.11861	1.8
211.03966	8.2
212.04486	2.2
223.03967	5.1
224.04727	6.1
225.05652	2.3
225.11354	1.3
227.12732	1.0
238.06421	1.6
239.03419	7.1
240.04173	9.1
241.04959	9.1
242.05605	1.3
246.49666	0.8
253.05020	1.6
253.09154	1.5
254.05797	2.4
255.03105	1.9
255.06528	4.8
256.06943	1.4
291.19678	10.1
389.08078	1.2
390.09033	3.3
391.09711	1.2
417.07761	1.5
418.08578	3.6
419.09201	2.5
420.09677	1.2
423.13013	1.1
430.08813	3.5
433.10785	7.4
434.11267	2.0
435.08774	1.2
436.09332	1.9
442.07480	1.2
445.06995	2.2
446.07800	3.9
447.08585	3.0
448.08701	1.2
451.11920	5.9
460.09598	2.7
461.10251	15.1
462.10938	7.8
463.11920	1.1
466.14127	1.0
475.12177	1.4
476.12888	6.0
477.13281	5.3
478.10715	1.1
479.11554	6.2
480.11816	1.7
483.33319	1.2
491.14838	2.0
493.12628	2.0
494.13858	6.1
495.14319	1.7
509.16010	13.6
510.16284	2.5
512.14868	2.0
527.17157	100.0
527.32404	4.3
528.17523	22.3
528.33038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62115	0.1
51.05405	0.1
53.23349	0.1
55.01762	0.4
57.03336	0.3
58.00470	0.2
59.01251	21.4
60.01585	0.4
61.98697	0.3
62.00772	0.1
64.27678	0.2
71.01254	5.4
71.51582	0.2
72.99197	0.3
73.02824	1.0
83.01264	0.5
83.04890	0.1
85.02829	1.6
87.00772	0.7
87.04419	0.2
89.02319	3.8
95.01270	0.4
95.04922	0.3
97.02821	0.2
97.06458	0.3
99.00750	0.3
101.02324	4.7
102.02695	0.1
113.02331	3.6
113.05918	0.1
119.03378	1.1
119.04898	0.2
125.02344	0.3
125.06005	0.5
141.09106	0.2
143.03416	0.4
148.08830	0.7
149.09567	0.1
150.10400	0.7
151.11235	0.3
155.10675	0.2
161.04462	2.1
163.11214	0.6
165.12764	15.7
166.13113	0.9
173.04520	0.2
175.11230	0.2
176.11958	0.4
177.12868	0.3
179.05547	0.7
179.14439	0.2
182.74637	0.1
191.14340	0.4
217.15820	0.3
229.19556	0.2
235.08261	0.2
239.03510	0.4
245.18813	0.2
247.20647	8.2
248.20963	1.0
253.09264	17.5
254.09669	1.0
255.17581	0.1
271.06195	0.2
273.18625	4.6
274.18893	0.7
291.19659	100.0
292.19992	11.6
436.09769	0.2
464.08990	0.3
467.29810	0.8
479.11267	0.9
480.11697	0.2
485.31152	0.3
497.12445	0.5
509.16016	0.2
512.14825	1.8
513.14996	0.5
527.17365	1.9
527.31879	0.2
528.17676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03324	0.8
59.01251	6.8
59.82656	0.4
60.82299	0.3
61.98700	1.0
67.61204	0.3
69.03301	0.6
71.01248	3.9
71.17773	0.3
71.52413	0.6
73.02800	1.0
83.01234	0.4
83.04898	0.4
85.02811	1.1
87.00745	0.5
89.02323	3.0
91.65092	0.4
93.03369	0.3
95.04903	0.5
101.02319	4.2
107.08507	0.4
111.08038	7.0
112.08403	0.4
113.02337	1.8
113.09595	0.5
119.03415	0.8
119.04936	0.4
121.10135	0.8
123.08039	0.6
125.09631	0.9
137.09636	0.5
149.09711	0.5
156.64352	0.3
161.04462	1.4
167.10646	1.6
173.04460	0.5
177.12772	1.8
179.05452	0.5
179.10689	1.3
185.11818	0.8
195.13852	5.2
196.14113	0.4
203.14444	0.4
235.08203	1.2
247.20659	1.7
253.09262	17.5
254.09679	1.0
263.20197	1.5
273.18628	2.7
274.19003	0.7
291.19656	100.0
292.19995	11.2
296.84085	0.3
392.35172	0.4
527.16956	0.6
527.28558	2.8
528.19049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1352
Annotation	3,5-Dicaffeoylquinic methyl ester
Peak:m/z	Relative Intensity
57.03323	0.8
58.53944	0.4
59.01249	12.9
61.98705	1.4
67.66742	0.4
69.03329	0.7
71.01253	3.9
71.52799	0.6
72.55200	0.4
72.99190	0.6
73.02822	2.1
73.95021	0.4
77.09701	0.3
83.01280	1.2
83.04926	0.8
85.02818	3.0
87.00760	0.9
87.04379	0.5
87.39365	0.3
89.02317	1.4
91.05444	0.6
93.03344	2.0
96.95925	0.4
99.00746	0.7
99.04398	0.7
101.01736	0.5
101.02320	2.3
107.04919	1.8
109.02856	1.2
109.06502	0.6
111.00762	0.7
111.04433	0.6
113.02335	1.9
117.03345	1.2
119.03381	0.5
125.02346	1.3
127.03856	0.6
130.26099	0.4
132.02072	0.8
133.02853	20.1
134.03665	8.5
135.04416	100.0
136.04742	4.9
137.02357	1.8
141.01895	0.4
141.09088	0.7
144.81447	0.4
149.02287	0.5
149.09581	0.6
151.07520	0.5
155.10675	0.8
157.08693	0.4
161.02350	56.4
162.02713	3.4
163.66217	0.4
173.04471	3.6
178.02547	0.4
179.03421	68.3
180.03757	3.4
191.05521	3.7
199.09697	0.5
214.05099	0.4
229.04729	0.4
260.07373	0.5
281.13824	0.6
307.15628	0.6
349.09305	3.5
363.39255	0.4
367.10309	24.0
367.20950	0.9
367.36765	0.4
368.10596	2.6
467.33698	0.5
485.31158	0.6
508.42349	0.4
511.29309	0.5
529.13489	54.0
529.26611	1.6
530.13898	10.0
530.26141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	0.8
70.79253	0.8
71.52358	1.1
81.61237	0.8
93.03331	10.6
95.01272	1.1
108.02056	2.5
119.04877	1.0
121.02847	100.0
122.03146	4.3
136.01558	1.9
170.03293	0.8
199.07779	1.1
225.05525	1.2
226.06291	1.7
227.07047	2.0
229.08682	1.8
241.04929	1.1
241.08607	4.5
242.09424	2.7
243.06734	1.0
243.09872	0.9
256.07492	1.6
257.08133	13.0
257.11847	5.6
258.08914	6.2
258.12039	1.6
268.50275	1.1
271.09756	2.6
272.07635	1.8
272.10559	29.3
273.11026	3.5
277.21805	1.1
393.13440	2.9
497.19696	1.8
514.19958	13.9
515.20007	2.7
529.22308	84.6
530.22644	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	529.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
58.00462	1.1
59.01254	34.6
60.01587	0.7
61.98699	3.2
69.03307	1.2
71.01255	29.9
71.52956	0.9
72.01598	0.7
72.99174	1.6
73.02819	12.4
73.62151	0.5
75.00744	0.6
83.01254	1.9
83.04880	0.7
83.93213	0.5
84.14707	0.5
85.02814	5.6
87.00769	1.4
89.02321	39.4
90.02630	0.9
93.03330	1.8
94.96228	0.5
95.01262	1.1
97.02817	1.6
99.00759	16.8
99.04397	0.5
101.02324	16.9
109.02824	1.4
109.06483	1.2
111.04413	0.8
111.08009	0.6
113.02339	5.8
113.05957	0.5
115.03908	0.6
119.03360	1.7
123.04376	0.7
123.08024	0.6
125.02345	4.2
131.03419	5.1
135.04390	1.5
137.05972	0.6
137.09595	0.7
143.03421	1.0
149.04460	12.6
155.10681	0.7
159.02878	1.0
161.02356	0.6
161.04445	4.1
173.04485	6.1
174.04643	0.6
179.03365	1.7
191.05544	10.4
192.05844	0.6
199.09683	0.9
217.12296	9.1
221.06593	0.9
233.06499	0.9
235.13351	2.2
251.07707	1.0
293.08621	0.8
345.52258	0.6
353.08609	0.7
353.19720	1.5
367.21179	1.4
368.21487	0.9
369.36826	0.5
469.24469	1.0
485.23895	2.3
511.92096	0.7
529.22845	100.0
530.23212	15.0
530.31256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82080	0.2
55.01742	0.2
57.03325	0.5
58.00451	0.5
59.01249	9.0
61.98708	0.3
69.03311	0.4
70.54692	0.8
71.01254	6.9
72.99172	0.5
73.02805	0.9
79.21920	0.2
83.01246	0.9
85.02828	1.7
87.00757	1.1
89.02316	6.9
95.01259	0.6
99.00749	0.5
101.02317	7.4
105.02898	0.2
106.28252	0.2
111.08012	0.5
113.02330	3.2
113.09600	0.3
119.03389	2.0
143.03397	0.6
161.04468	3.2
167.10638	0.4
179.05518	1.3
179.10622	0.3
179.14314	0.9
187.11000	0.3
194.19824	0.3
195.13831	8.8
196.14348	1.0
202.88313	0.3
205.12228	0.7
205.15837	0.3
211.13350	0.7
223.13341	7.3
224.13800	0.4
228.13589	0.9
231.21077	0.4
244.20493	0.2
253.09265	30.9
254.09578	1.7
256.13113	1.7
265.21539	0.5
275.20148	5.2
276.20383	0.7
293.21216	100.0
294.21558	10.2
321.86154	0.3
492.21991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.2
57.03327	0.6
59.00954	0.5
59.01249	7.6
70.81782	0.6
71.01252	5.3
72.99174	0.4
73.02813	1.0
76.76506	0.2
79.58531	0.2
80.99407	0.2
83.01261	0.6
83.04849	0.3
85.02817	1.4
87.00749	1.0
89.02319	6.1
92.62121	0.2
95.01265	0.5
99.00755	0.3
101.02325	6.0
101.50514	0.3
111.08049	0.6
113.02338	3.2
113.09628	0.5
115.03885	0.3
116.79290	0.2
119.03368	1.7
123.65073	0.3
143.03415	0.7
161.04489	3.5
167.10652	0.3
177.12753	0.4
179.05531	1.3
179.10765	0.3
179.14311	1.0
195.13837	9.7
196.14323	1.3
205.12257	1.0
205.16011	0.5
211.13359	0.7
223.13350	6.8
224.13734	0.5
228.13646	0.7
231.21106	0.4
244.24501	0.2
253.09264	28.3
254.09657	1.7
256.12997	1.3
265.21823	0.5
275.20151	5.7
276.20633	0.5
293.21216	100.0
294.21545	10.8
327.20587	0.2
447.12888	0.4
492.22101	0.6
514.16870	0.3
529.18488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51842	0.5
59.01235	1.5
61.54455	0.5
61.98696	1.8
63.67819	0.5
64.80894	0.5
71.51297	0.7
71.51652	0.8
75.00743	0.8
78.95781	19.4
93.03313	1.4
152.99515	3.1
168.04240	3.2
173.04456	1.5
224.06915	8.0
242.07907	1.4
255.23276	100.0
256.23560	10.1
277.21765	2.2
278.22180	0.8
280.23633	1.1
445.23752	0.9
480.30969	61.0
481.31241	9.5
491.36307	0.6
530.30011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.2
58.00425	0.7
59.00954	0.9
59.01247	16.5
61.98707	0.7
67.01751	2.8
68.45549	0.5
68.99689	0.5
69.03320	4.8
71.01256	10.6
72.99171	0.9
73.02811	3.5
75.73124	0.5
76.29831	0.5
81.03326	2.2
83.01250	2.0
83.04910	1.6
85.02819	14.0
86.03164	0.6
87.00754	8.2
89.02312	1.8
89.03840	0.7
93.03333	21.8
94.03689	1.3
95.01264	0.7
95.04890	0.8
97.02806	0.8
99.00740	1.4
99.04392	1.4
101.02337	2.7
105.03351	0.8
107.04897	2.2
109.02858	3.0
111.00754	1.6
111.04396	4.4
113.02314	2.7
115.00273	7.9
116.68500	0.5
119.03382	0.9
121.02853	1.3
122.03623	1.6
122.05984	3.8
123.04418	20.5
124.04737	1.4
125.02317	1.2
127.00259	2.7
127.03908	2.0
133.02844	6.1
134.03622	0.9
135.04411	33.3
136.04773	2.5
137.02342	5.9
139.00288	1.4
139.03893	1.0
143.03415	1.1
145.01360	0.6
145.02763	0.7
146.06038	1.1
148.01619	0.7
148.04001	0.7
149.02379	2.7
150.03079	0.8
150.05507	0.9
151.03909	12.5
151.53619	0.6
152.04276	0.9
152.07072	7.2
154.02589	0.8
155.03410	4.0
155.10646	2.0
157.01332	1.5
161.02348	7.6
161.04381	1.1
162.05489	1.5
165.01819	0.6
171.02940	0.9
172.03926	0.9
173.04475	63.7
174.04723	3.2
175.02391	12.4
175.03787	0.8
176.01094	1.2
177.01851	32.7
178.02206	1.9
179.03419	27.6
180.03784	1.6
185.00816	2.1
190.05098	2.0
191.05544	100.0
192.05856	6.2
195.02927	14.8
196.03336	0.8
199.09703	0.9
201.04163	0.5
209.30533	0.5
218.04379	1.4
226.06223	0.8
241.08711	0.6
250.07318	1.0
269.11920	0.9
271.02454	2.1
299.01926	1.9
300.02527	1.6
311.07846	1.4
313.10696	0.7
315.04858	0.9
325.09512	0.7
327.10730	0.7
332.08203	1.0
335.07700	1.7
351.07202	3.6
352.07794	0.6
353.08731	24.3
354.08951	3.1
355.12946	4.0
357.09784	1.7
357.14304	0.6
369.03336	1.1
369.08197	20.0
369.22668	1.0
370.08597	2.3
383.12439	1.0
385.13956	1.4
415.15027	5.9
416.15512	0.6
441.38675	0.5
490.83405	0.6
531.10931	3.6
531.28510	2.7
532.11584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.0
57.03323	9.6
59.01254	100.0
61.98703	7.6
69.03320	11.6
69.44485	16.5
70.15250	2.3
71.01251	53.6
71.04905	2.8
72.99177	3.5
73.02815	17.2
75.00733	2.4
83.01263	10.0
83.04887	2.6
85.02827	51.4
87.00762	7.3
89.02320	35.2
93.03320	4.3
95.01239	4.9
95.04855	2.5
97.02828	24.0
97.06477	3.3
99.00768	6.6
101.02316	38.1
101.05950	3.2
111.00797	4.1
113.02348	20.2
119.03401	13.5
119.04910	8.0
123.08057	7.2
125.02325	3.3
125.06032	3.3
129.01794	3.0
135.04451	2.5
137.02336	3.2
137.09636	4.6
138.06721	2.4
139.11217	3.1
141.01852	4.5
143.03397	5.2
146.68330	2.3
147.02892	3.1
147.43619	2.2
149.09709	2.7
152.08328	4.1
155.10690	41.2
161.04480	7.6
163.03915	15.1
165.01852	2.5
167.10727	8.0
173.04521	6.7
179.05577	7.3
181.12296	3.0
185.00832	9.3
191.01913	14.4
191.05507	4.9
199.09747	31.5
203.01924	4.3
214.12053	3.7
247.21027	2.4
253.05077	14.8
263.20215	3.8
289.21799	6.1
307.22861	3.4
309.20563	4.6
325.23877	7.2
349.05832	2.7
369.07977	3.5
369.22833	85.4
370.23166	9.1
385.11557	11.3
393.22772	8.8
531.15259	5.8
531.28094	61.6
532.28717	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	531.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.1
57.03325	11.6
58.00451	3.5
59.01251	100.0
60.01580	3.0
61.98700	6.3
62.97186	1.5
69.03325	18.3
70.85712	3.2
71.01251	75.7
71.04883	3.9
72.01569	1.9
72.99172	10.2
73.02823	27.5
75.00766	4.9
83.01257	16.2
83.04887	2.0
84.28428	1.7
85.02824	64.0
86.03154	1.7
87.00742	12.3
87.04407	3.2
89.02316	44.2
93.03310	2.8
95.01273	9.0
95.04901	3.4
97.02833	46.2
97.06471	8.4
99.00771	12.2
99.04412	3.3
101.02321	68.9
101.05971	2.4
102.02676	3.8
103.03910	2.6
109.06461	5.8
111.00777	2.1
111.04357	1.8
111.08051	2.2
113.02335	27.3
113.03090	3.1
113.09618	3.8
119.03429	17.0
119.04916	20.7
123.00756	2.0
123.08072	10.0
125.02326	4.1
125.05981	4.3
127.07587	1.8
129.01819	4.8
131.03378	3.8
135.04405	4.1
137.09714	3.8
139.11221	5.6
141.01830	9.9
143.03442	8.2
147.02921	4.0
149.04457	3.3
149.09662	3.0
152.08310	4.7
155.10689	83.8
156.11006	5.3
159.02948	3.4
161.04463	11.2
161.05768	2.9
163.03920	29.9
163.06041	4.7
163.11154	1.6
164.04222	1.9
167.10735	8.8
173.04494	6.2
175.02412	1.9
179.03397	1.7
179.05504	6.7
181.12273	4.5
183.13751	2.1
185.00816	17.3
191.01842	11.2
191.05525	7.4
193.16026	1.7
199.09698	59.0
200.10002	4.4
203.01959	8.0
205.07259	2.3
214.12103	3.4
219.17535	3.3
225.05460	2.3
249.18727	3.1
253.05014	16.8
263.16360	2.3
263.20142	4.0
267.15982	2.0
283.15512	1.9
289.21753	6.3
293.17770	2.3
307.22961	2.6
325.23856	7.6
327.12527	3.1
327.16138	6.0
327.21707	2.2
341.33377	1.8
349.05713	7.9
351.21790	4.6
353.23248	2.4
369.08533	2.2
369.22787	98.8
370.23129	11.7
385.11353	32.0
386.11398	3.7
393.22928	8.8
458.23669	2.0
531.28192	64.0
532.28473	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57629	0.7
58.45800	0.6
58.77317	0.9
59.01253	2.4
62.51363	0.6
69.49274	5.2
73.15195	0.6
85.02815	2.0
88.02216	0.7
89.77549	0.8
93.03322	1.2
98.19724	1.4
107.01244	2.0
109.02902	0.9
113.02360	0.8
132.01993	1.0
135.00807	1.2
141.25314	0.8
148.64877	0.7
151.00287	1.5
163.00214	1.4
173.09460	0.8
185.06039	1.5
187.03879	2.1
191.01855	1.2
195.04483	0.9
197.05969	1.2
211.03967	1.0
212.72588	0.7
213.05489	1.4
227.03445	20.1
228.03894	2.5
229.05029	9.1
230.05316	0.8
238.03384	0.7
239.03349	1.0
241.04942	1.3
241.35576	0.8
255.02965	45.7
256.03391	7.3
257.04544	6.5
267.02933	0.8
283.02350	1.0
284.03256	78.0
285.04007	100.0
286.04416	9.0
325.28867	0.8
341.10172	1.0
420.15009	0.8
489.10352	43.9
490.10788	8.1
510.51627	0.8
523.31073	0.8
534.12543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
57.03047	0.9
57.03325	14.0
58.00469	1.0
58.03654	0.6
59.01252	23.8
60.01566	0.7
61.98690	1.5
67.01751	1.1
68.99693	1.1
69.03326	0.8
70.38875	1.7
71.01255	12.6
72.01607	0.5
72.99167	2.1
73.02816	3.5
75.00755	2.2
83.01259	3.4
84.02045	2.4
85.02823	100.0
86.03129	2.1
86.46028	0.5
87.00749	2.0
87.04397	0.8
89.02319	5.2
90.02642	0.7
93.03344	11.2
95.01255	0.8
96.95890	1.4
96.99190	5.1
97.02827	2.0
98.20452	0.7
99.00748	1.1
99.04401	0.6
100.20031	0.5
101.02327	6.9
103.00243	2.2
108.02032	0.8
109.02798	0.6
109.06483	0.5
111.00761	4.0
111.04474	0.4
113.02328	2.8
115.00256	1.2
117.03313	0.8
119.03471	2.2
119.04918	8.5
121.02820	1.0
123.04429	2.6
125.02361	1.2
125.94840	0.4
129.01840	11.3
130.02162	0.5
130.04131	2.0
131.04930	1.6
133.02844	1.6
134.03563	0.9
135.04424	1.7
137.02357	0.8
137.09651	0.7
143.04910	7.5
145.02815	2.1
145.06506	0.7
147.02901	15.0
149.04442	0.7
153.09151	1.0
155.10728	1.3
161.04492	1.4
161.05949	0.5
163.02554	0.9
163.03923	6.0
167.03412	1.8
171.04471	1.1
173.00876	1.9
173.04503	1.6
177.05521	2.6
179.03433	0.7
185.00839	0.5
191.01903	48.1
192.02242	1.6
195.06488	0.7
195.84322	0.5
197.08119	1.6
199.09637	0.7
209.02997	1.6
210.06821	1.7
223.03944	2.1
224.04688	1.7
225.09134	1.5
233.06664	0.5
235.07646	3.1
236.08214	0.5
237.09058	2.7
238.06212	0.7
239.07126	2.1
249.09241	0.6
251.10704	0.9
251.16678	0.5
255.03062	0.8
263.07117	2.5
264.07895	10.9
265.08432	1.1
279.10312	6.1
280.10968	0.5
284.03146	1.0
285.04047	1.8
285.20715	0.6
293.08813	0.5
308.06915	1.7
311.18701	0.6
323.09232	3.0
327.25424	0.5
329.13956	3.7
329.19595	1.5
341.10291	58.0
342.10675	6.1
353.23315	0.6
371.20438	2.1
371.24496	1.4
387.09119	0.6
405.98663	0.4
473.27802	0.8
489.10062	0.7
490.30112	0.6
532.28241	0.8
533.13239	0.9
533.29816	8.8
534.30389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.7
57.03328	12.0
58.00473	2.3
59.01251	52.0
61.98703	4.3
66.01393	0.9
67.01729	1.1
68.99693	1.6
69.03345	2.4
69.32127	7.4
71.01254	28.2
71.04889	1.5
72.99185	3.7
73.02821	7.9
75.00753	2.3
75.60352	1.0
78.24442	1.2
78.95782	1.6
79.05401	1.8
83.01271	5.5
83.04929	1.8
84.02046	2.4
85.02825	100.0
86.03147	2.6
87.00768	5.1
87.04403	2.1
89.02319	13.4
93.03344	12.5
95.01291	2.8
95.04934	1.0
96.95895	4.6
96.96878	2.2
96.99216	4.2
97.02847	4.3
97.06474	3.4
98.02382	1.9
98.19750	1.7
99.00760	2.9
101.02322	16.8
101.02924	1.4
101.05956	1.1
103.00246	1.2
106.66726	1.0
107.04929	1.0
108.02039	1.2
109.02862	4.0
111.00776	5.3
113.02334	10.1
115.00268	1.9
117.62930	1.0
119.03397	4.8
119.04929	10.3
121.02881	1.7
123.04442	2.6
123.08050	1.2
124.01546	1.0
125.02361	4.7
129.01836	12.5
130.04149	2.5
131.04968	1.8
133.02855	2.7
134.03668	1.9
135.04382	5.6
137.02356	4.1
141.09164	4.9
143.03368	2.1
143.04900	6.9
145.02869	2.1
145.06496	2.2
147.02905	13.5
149.04518	1.1
151.00266	1.4
151.03905	2.0
153.09148	1.9
155.10689	4.3
159.02977	1.1
161.04495	4.3
161.06006	5.5
163.03859	8.1
165.01935	1.7
167.03433	1.8
169.08707	1.0
173.00861	1.1
173.04475	6.6
177.01837	1.1
177.05490	1.3
179.03476	1.7
179.05643	1.3
185.00899	1.7
191.01898	56.1
191.05562	4.2
192.02321	2.0
197.08185	1.4
199.09679	2.2
209.02936	2.0
210.06715	1.7
223.17053	1.0
235.07616	3.2
237.09256	2.8
255.03001	2.1
263.07172	1.6
264.07870	10.3
265.05048	1.0
279.10260	6.8
284.03317	1.9
285.04095	3.5
301.07120	1.3
308.06976	1.2
311.12967	3.1
323.09317	2.1
329.13876	15.4
329.19955	1.3
335.22260	9.8
341.10284	65.0
342.10706	6.9
349.07114	1.2
353.23404	4.3
371.20605	1.3
371.24570	6.0
463.80170	1.0
473.21832	2.2
473.27701	2.8
489.10437	2.5
491.29025	2.3
510.94659	1.1
515.10614	1.8
533.13263	1.8
533.29828	39.6
534.30157	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	533.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19253	0.5
54.25265	0.5
55.01751	1.6
57.03324	11.6
59.01251	14.3
61.98711	2.7
63.02268	0.6
65.00191	1.7
67.01771	1.1
68.99675	1.0
69.03326	0.6
69.58408	1.7
69.58829	2.3
71.01257	8.2
72.99175	2.5
73.02806	2.5
75.00755	2.0
81.95496	0.6
83.01250	3.3
83.04890	0.6
84.02036	2.9
84.10912	0.6
85.02823	100.0
86.03181	2.6
87.00758	1.8
89.02316	3.4
93.03335	10.9
94.03634	0.7
96.99179	1.7
99.00731	1.0
100.05287	0.6
101.02320	3.0
103.00246	1.6
104.04302	0.6
107.01257	1.6
108.02032	0.8
111.00768	3.4
113.02335	1.2
115.00254	1.8
117.03307	0.7
119.03398	0.5
119.04906	7.3
121.02837	1.1
123.04450	2.7
125.02322	2.0
126.40437	0.6
129.01828	11.5
130.04192	1.2
131.04929	1.1
132.05763	0.7
133.01372	1.3
133.02814	1.3
134.03653	0.7
135.04373	1.0
137.02322	0.9
139.00247	1.1
143.04945	2.7
145.02818	1.0
147.02896	18.2
148.01508	0.8
148.03157	0.6
151.00261	5.2
152.00987	0.6
155.10713	0.8
158.92850	0.5
161.02322	1.5
161.04446	1.0
161.87778	0.6
163.00261	2.5
163.02583	0.8
163.03888	3.2
164.98227	0.9
165.46942	0.5
169.01416	0.6
170.03625	0.6
171.04430	1.4
172.01622	0.6
173.00862	1.1
173.04472	1.4
176.01077	0.9
177.01851	1.0
177.05495	1.5
178.99794	3.4
179.03362	0.8
187.03987	0.7
188.01042	0.7
189.01730	0.5
191.01895	46.9
192.00574	0.6
192.02219	1.7
193.01360	1.1
199.03928	0.8
199.09688	0.8
201.01807	0.8
202.02571	1.9
205.01324	0.9
209.02962	22.0
210.03217	1.1
210.06892	1.0
213.01923	1.1
214.02571	2.2
215.03552	0.7
217.01329	0.9
217.04788	0.6
219.02936	0.6
225.09088	1.1
227.03378	2.0
229.01312	1.0
230.02065	2.0
235.07678	3.6
237.09114	1.5
238.09744	0.6
241.01308	1.5
242.02121	2.2
243.02950	1.3
245.00932	0.7
245.96597	0.6
255.02742	2.1
256.03757	1.1
257.00793	2.1
257.99194	0.6
258.01682	3.5
261.00122	0.7
263.07065	2.5
264.07886	10.8
265.08237	1.1
267.02789	0.9
269.00845	1.1
270.01581	1.4
271.02478	2.4
272.02979	0.9
279.10269	5.4
280.10483	0.6
283.02512	1.2
284.03235	3.0
285.00342	2.7
285.03925	3.0
286.01230	5.2
286.04175	1.0
287.01868	3.0
295.02560	0.7
297.00302	0.7
298.01282	2.6
299.01993	4.7
300.02591	2.4
301.03406	1.5
308.06827	2.7
311.01907	2.5
312.02609	1.2
312.99826	1.1
313.03357	1.8
314.00647	1.9
315.01636	3.0
315.04755	1.2
316.02240	1.3
323.01807	0.8
323.09177	3.0
327.05115	0.7
328.02173	0.8
329.03046	15.1
329.14011	6.2
329.19836	1.4
330.03781	5.1
331.04636	3.1
341.10284	42.2
342.10733	4.9
353.03012	1.3
371.04221	3.0
371.24628	0.9
371.59842	0.7
372.04501	0.7
489.10123	1.8
501.06183	0.8
505.09616	1.0
518.06915	0.9
533.09222	22.5
533.29089	1.9
534.09723	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	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03330	0.5
58.00443	0.3
59.01250	17.4
60.01575	0.4
66.16576	0.2
69.03314	0.4
69.58989	0.2
69.77571	1.0
69.77982	0.5
71.01253	6.2
72.99184	0.6
73.02824	2.0
81.03331	0.3
83.01256	1.2
85.02823	2.5
85.98841	0.3
85.99963	0.3
87.00742	0.9
89.02320	3.0
93.03331	0.3
95.01258	0.8
97.02840	0.4
99.00765	0.8
101.02327	4.7
107.34774	0.3
108.02078	0.4
108.69602	0.2
109.02859	1.0
113.02312	3.1
116.83464	0.3
119.03378	1.1
119.04902	0.3
121.02827	0.5
122.03655	0.4
123.04401	0.4
125.02341	0.5
126.03109	0.4
127.03875	0.3
133.02824	0.3
135.04396	2.2
138.03192	0.3
143.03389	0.6
147.00824	0.3
149.02283	0.3
151.00237	0.6
156.10909	0.3
161.04424	0.9
165.01834	1.0
171.04370	0.3
173.04485	0.4
179.05505	0.8
185.78181	0.2
199.03909	1.8
201.01987	0.4
205.07175	0.4
215.03380	0.9
227.03503	1.8
228.03770	0.3
233.06741	0.6
243.02950	3.6
244.03268	0.4
247.08057	0.3
254.02342	0.4
255.02899	0.9
257.04581	0.4
257.08127	0.3
269.04480	1.5
270.01709	0.4
271.02469	46.1
272.02765	4.0
285.03946	1.9
286.04745	0.6
299.01950	85.2
300.02298	8.1
314.04303	92.6
315.04639	9.9
329.06644	100.0
329.17361	7.4
330.06995	10.5
330.17804	0.6
347.73367	0.3
457.73160	0.6
473.21921	0.7
473.31189	0.3
491.22855	1.0
491.32645	0.4
533.22943	0.4
533.29694	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	533.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.8
59.01251	18.8
60.99179	2.4
67.01766	9.6
69.03340	3.4
71.01257	10.2
72.99185	30.7
73.02822	3.2
75.00742	1.9
81.03328	1.6
83.04911	1.7
85.02828	8.0
87.00748	13.8
89.02325	5.3
93.03338	83.9
94.03651	2.1
97.02833	1.5
98.19769	3.1
99.00748	3.9
101.02340	6.7
101.57078	1.2
102.98457	4.4
107.04896	1.5
109.02838	3.6
111.00798	1.6
111.04420	10.6
113.02332	4.5
119.03392	1.7
123.04424	13.5
125.02324	2.1
129.01814	2.3
132.21193	1.3
133.02852	5.5
134.03627	3.8
135.04419	80.6
136.04744	4.5
136.16296	1.1
137.02351	29.9
143.03320	1.5
147.02908	1.7
149.06015	1.8
151.03935	2.2
155.03412	12.0
155.10681	5.2
161.02351	17.2
163.00346	1.3
166.04422	1.3
167.03354	3.7
173.04477	52.3
174.04852	1.8
175.02359	1.5
179.03423	92.3
180.03725	4.8
191.01872	2.9
191.05551	8.2
197.04491	40.5
198.04791	2.3
199.09669	4.4
206.99268	1.7
230.33009	1.6
238.10750	1.6
335.07828	6.1
341.06326	2.1
341.10236	2.3
347.13675	1.7
353.08749	18.9
354.09308	3.0
367.13025	1.8
371.09827	100.0
372.10196	8.9
411.12131	1.9
533.12604	21.0
534.13342	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70444	0.9
53.02024	1.0
55.41911	1.0
57.03345	1.2
59.01247	8.7
59.54441	1.0
67.01748	2.4
69.03330	1.3
71.01254	5.4
72.99193	5.6
73.02837	1.0
81.03368	1.0
83.04886	1.2
85.02819	8.8
87.00755	4.0
89.02303	3.3
89.03815	1.0
93.03342	16.5
101.02327	1.7
107.04935	1.3
109.02838	5.8
111.04387	4.8
113.02340	2.0
117.03357	9.0
121.02860	1.4
123.04419	4.6
133.02859	6.1
134.03627	4.8
135.04414	100.0
136.04755	5.3
137.02350	5.8
147.04433	3.1
149.02287	1.4
149.05992	2.9
155.03406	6.3
161.02348	12.1
161.04512	1.4
161.05942	1.9
167.03403	3.1
173.04468	49.0
174.04807	2.9
175.03922	4.8
177.01804	3.2
179.03413	58.2
180.03755	3.1
191.05533	49.5
191.06815	1.1
197.04521	7.2
205.01317	12.6
219.02917	12.0
249.03984	1.8
251.07195	1.2
267.06561	1.5
271.09756	4.2
279.06628	2.3
297.07568	4.2
315.08792	12.1
316.09000	1.2
323.05676	1.6
335.07791	5.0
341.06577	21.3
341.10385	4.9
342.06787	1.8
353.08716	22.1
354.09378	2.2
359.07690	11.3
371.09906	5.2
372.10278	1.4
527.81952	1.2
533.12921	27.1
534.13092	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56889	0.8
56.06744	0.8
57.03312	1.8
57.56090	0.8
58.49580	0.8
59.01258	12.6
59.18256	0.8
67.01743	4.0
69.03324	1.6
70.55060	2.7
71.01257	10.6
72.99166	2.1
73.02821	1.4
74.02350	1.8
80.44066	0.8
81.03327	2.3
83.01247	1.7
83.04871	1.3
85.02834	11.5
86.61355	0.9
87.00768	4.3
89.02320	5.2
89.03826	1.0
93.03345	32.3
94.03671	1.7
95.04896	1.2
96.95818	1.1
99.00716	1.2
101.02303	4.1
108.02055	2.0
109.02844	16.7
111.00743	1.3
111.04431	5.0
113.02306	1.8
117.03336	5.0
119.03378	1.8
119.04845	1.7
121.02843	1.6
122.03579	1.2
123.04414	15.9
125.02323	5.2
127.03851	2.5
128.03358	3.9
129.01801	1.2
133.02808	3.0
134.03604	3.1
135.04419	100.0
136.04742	3.9
137.02356	12.4
143.04488	4.4
143.91328	0.9
145.02856	4.9
146.03598	3.1
147.04437	7.2
148.05196	2.1
149.05957	7.3
155.03403	5.0
155.10703	1.8
160.00610	1.5
161.02336	12.1
161.05923	3.2
163.03873	1.5
167.03409	27.5
168.03729	1.3
171.02869	1.2
173.04474	63.6
174.03096	1.3
174.04791	2.7
175.03902	7.0
179.03418	66.2
180.03740	2.2
190.06165	0.9
191.05544	85.4
192.05814	3.3
193.05080	0.9
197.04376	1.7
199.09523	0.9
205.01370	9.6
205.04973	1.1
219.02937	45.1
220.03195	3.1
253.08401	1.1
271.09769	16.0
272.09460	1.2
297.07639	1.6
306.07602	12.5
309.07962	1.1
315.08731	26.8
315.65607	0.9
316.09006	3.2
320.55035	1.0
331.01929	1.0
335.07654	2.5
338.08267	1.5
341.06656	26.4
341.10315	2.4
342.06802	3.3
346.76270	0.9
353.08701	28.7
354.09158	1.8
359.07761	7.8
371.09848	16.2
371.16879	5.8
515.11664	1.7
533.13440	33.9
534.13855	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91312	1.1
55.01739	1.2
56.70456	1.1
56.95744	1.1
57.03284	0.9
59.01249	100.0
60.23487	1.0
61.74605	1.4
61.98705	1.1
66.00731	0.9
69.28002	9.8
71.01243	9.2
72.99168	1.1
73.02806	2.3
83.01280	1.4
85.02820	4.4
87.00746	5.6
89.02306	4.8
101.02324	7.0
113.02341	6.8
119.03407	2.0
123.04411	1.0
125.05920	1.4
135.53030	1.1
135.61790	1.0
141.05457	1.5
143.03352	1.4
161.04427	2.3
191.05614	1.4
195.15578	1.0
250.40036	1.1
298.80399	1.1
429.21252	11.0
430.21774	2.8
447.22159	9.8
481.15237	1.3
489.23215	1.3
533.29144	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34724	0.5
55.01761	1.1
57.03314	2.1
58.00479	0.7
59.01251	22.3
61.94747	0.5
61.98710	0.9
67.01764	0.8
68.99693	0.6
69.03314	1.3
69.28194	4.6
71.01254	18.5
72.99178	4.3
73.02830	4.8
75.00748	11.9
83.01275	1.1
83.04893	0.6
85.02823	16.8
86.03152	0.5
87.00742	6.6
87.96554	0.6
89.02318	5.9
90.41302	0.6
93.03355	0.6
95.01237	3.4
95.04915	0.6
99.00755	7.8
101.02308	3.1
101.05960	28.9
102.06303	0.9
102.13002	0.5
103.00273	1.2
105.92890	0.6
109.02902	0.7
111.00765	1.3
111.66821	0.6
113.02332	13.7
115.00247	2.2
117.01812	1.9
121.02819	1.1
125.02335	0.7
129.01811	1.1
131.03410	1.0
135.04454	0.7
135.08031	1.9
137.09618	10.7
155.10684	60.1
156.10995	3.1
156.42271	0.6
157.01321	1.8
173.04610	0.7
175.02377	2.9
178.70979	0.5
181.08595	3.0
191.03401	0.8
191.05551	1.5
199.09680	13.1
249.06073	2.4
255.12375	1.8
257.11942	1.3
273.13370	4.4
283.79843	0.6
333.11783	0.8
335.22247	0.8
357.19171	5.8
358.19409	0.9
371.24332	0.8
387.16495	2.2
431.15668	1.5
449.16855	2.9
471.22281	1.3
515.21222	2.8
533.22388	100.0
534.22736	14.7
534.30359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20677	1.0
55.01758	1.4
57.03325	12.4
58.00478	1.4
59.01251	41.4
61.98699	4.0
68.99681	1.5
69.03319	1.6
71.01254	31.6
71.04887	1.6
72.01604	1.0
72.99185	3.8
73.02821	25.1
75.00746	3.3
83.01283	4.5
83.02872	1.0
83.04896	2.6
83.64415	1.0
84.02035	2.0
85.02824	77.3
86.03155	2.3
87.00769	3.2
87.04388	2.2
89.02316	9.1
91.40111	1.0
93.03348	8.9
96.95882	7.9
96.99168	2.7
97.02846	2.5
97.06458	1.9
99.04390	6.3
101.02319	10.1
103.03879	3.0
107.81278	1.0
109.02853	1.5
111.00725	2.7
111.04408	1.8
113.02326	6.9
119.03418	2.9
119.04916	7.3
121.02858	4.9
123.04397	2.5
125.02362	2.2
125.05898	1.3
127.07554	1.4
129.01828	8.1
130.04163	1.8
133.02800	1.6
135.04425	1.7
137.02377	1.3
141.09239	1.1
143.04913	4.0
145.02937	1.2
145.06465	1.3
147.02898	9.1
150.03204	1.2
155.10674	1.8
161.04466	3.7
163.03926	4.9
173.00893	1.6
173.04495	3.2
177.05473	3.3
191.01892	30.3
191.05571	3.1
193.15938	2.2
195.13876	3.2
209.02966	1.4
209.15387	2.3
235.07648	1.9
255.03036	2.3
264.07925	7.3
265.08603	1.6
267.15756	1.2
279.10272	4.0
284.03360	3.9
285.03922	3.5
285.17078	100.0
286.17444	11.5
327.18091	2.3
335.22214	1.4
341.10275	37.7
342.10608	5.2
350.05768	1.2
353.23267	1.5
371.24475	2.6
424.63382	1.2
489.10352	2.2
533.29999	16.6
534.29730	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	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.2
57.03321	6.4
58.00466	3.9
59.01251	100.0
60.01577	2.4
61.98699	4.4
67.00195	1.3
67.01754	2.0
69.03311	2.8
71.01254	43.1
71.04880	4.2
72.99173	3.2
73.02819	16.7
83.01252	6.2
83.04903	2.8
85.02816	19.3
85.06495	1.9
87.00761	5.1
87.04382	2.3
89.02319	34.7
93.03333	4.4
95.01256	3.5
97.02858	2.1
97.06447	2.8
99.00767	3.1
99.04404	2.0
99.08039	2.5
101.02320	31.9
101.05965	2.3
107.04903	1.6
109.02786	1.6
109.06477	3.9
111.08040	2.0
113.02331	18.8
119.03405	12.2
123.04398	2.2
125.02334	6.0
127.11175	7.4
135.04428	5.0
137.02356	2.8
137.09637	3.0
138.06744	5.6
139.07576	3.0
139.11220	3.7
143.03371	4.1
149.04486	1.9
149.09641	2.6
151.11250	3.2
153.12796	2.8
155.10674	3.7
157.12225	3.6
161.02388	1.4
161.04474	6.5
165.12775	1.6
167.03413	6.4
167.10698	4.6
169.12299	3.5
173.04460	7.2
179.03423	2.2
179.05504	4.7
179.10651	1.8
187.13330	1.9
191.05505	4.8
196.05281	2.2
196.12445	1.4
199.13258	1.5
208.78909	1.3
224.04787	3.6
227.03522	1.7
239.07042	13.0
239.20100	2.1
249.18517	7.9
269.17636	4.0
269.21243	14.0
271.02414	4.2
279.08051	1.5
285.04007	2.2
298.66296	1.6
299.02097	2.0
313.20160	26.6
328.02194	5.1
329.02921	2.6
353.23325	3.1
371.24344	73.8
372.24664	9.2
419.23419	2.2
473.27664	4.4
491.28568	3.2
520.15503	1.8
521.90637	1.6
533.09717	2.1
533.29724	68.6
534.29944	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	533.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61531	1.3
55.01773	2.1
57.03326	8.4
58.00459	3.4
59.01252	100.0
60.01539	1.7
61.98699	2.5
69.03339	3.5
69.23451	15.3
71.01251	48.6
71.04902	2.6
72.99171	3.2
73.02817	11.2
77.67669	1.4
83.01289	4.5
85.02832	20.7
87.00757	11.3
87.04384	10.9
89.02324	30.0
95.01257	2.4
97.02824	3.9
97.06473	6.2
99.00765	4.7
99.08044	6.9
101.02335	28.6
101.05970	2.1
109.06487	2.6
111.00768	2.1
111.08028	2.2
113.02319	17.3
113.09583	2.6
119.03406	14.8
123.04423	2.2
125.02312	3.7
125.05987	2.4
125.09618	3.3
129.01767	1.9
129.09091	3.6
135.04420	2.9
137.02307	1.6
137.09628	4.8
139.11150	2.7
143.03448	2.8
143.10664	5.0
147.02946	1.5
151.11224	3.2
153.09134	3.5
155.10609	4.3
159.63019	1.4
161.04486	4.6
161.05807	2.3
167.10722	2.4
169.12219	2.0
170.03612	1.8
173.04434	4.4
179.05569	4.8
183.13841	2.4
187.13316	6.2
195.13753	2.0
199.09766	1.7
216.13635	2.7
242.02141	6.7
245.17404	2.2
270.01743	8.3
271.02390	3.9
275.20175	2.3
285.03912	7.4
285.20795	3.5
293.21112	2.2
298.01141	2.3
299.02026	5.5
311.18845	2.2
311.22272	1.8
313.03580	28.9
313.06952	1.3
314.00815	1.9
314.04022	8.2
323.22357	4.6
327.25525	13.9
328.05789	8.0
329.06674	6.7
329.13797	3.7
329.19788	5.4
330.26367	3.4
341.23303	29.9
342.23657	4.3
353.23358	4.2
371.24402	81.9
372.24716	12.0
395.24338	11.0
425.25244	3.6
450.53018	1.6
473.27814	3.0
474.30789	10.8
492.31793	19.4
533.13025	26.9
533.29749	60.5
534.13275	4.9
534.29944	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	534.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.3
57.03323	3.5
58.00478	1.3
59.01253	100.0
60.01585	0.9
61.98716	2.5
65.00188	0.4
67.01765	0.4
68.99691	0.5
69.03328	2.4
69.22969	4.1
71.01257	33.6
71.27292	0.4
72.01617	0.6
72.99197	2.5
73.02824	8.8
74.02334	0.5
75.00761	1.1
79.05418	1.5
83.01262	6.3
85.02824	16.4
85.25948	0.4
85.99990	1.2
86.03175	0.6
87.00760	3.9
87.04414	0.8
89.02322	15.4
93.03339	1.0
95.01269	2.9
95.04903	0.6
96.95920	0.5
97.02830	4.3
99.00744	3.1
101.02324	22.8
102.02685	0.6
108.02101	0.4
109.02879	0.5
111.00761	4.7
112.01572	0.9
113.02339	15.5
114.02679	0.7
115.03893	0.7
119.03390	6.3
121.02877	0.9
121.10137	0.6
123.00769	0.7
123.04414	0.9
124.01570	1.3
124.07564	0.4
125.02346	4.0
129.01874	1.7
131.03397	1.1
135.04446	2.6
137.02341	1.6
137.09627	0.6
139.00514	0.5
141.01836	0.6
143.03421	4.3
149.04553	0.8
149.05994	0.4
151.00290	0.9
151.03908	0.7
153.09091	0.4
155.10693	4.3
159.02943	1.7
161.02370	0.9
161.04456	3.8
163.03964	0.5
167.02144	0.5
167.03436	1.8
167.10724	1.4
173.00795	0.6
173.04501	1.5
179.03387	0.8
179.05539	2.9
187.07576	0.4
187.13104	0.5
191.05577	0.6
199.09732	3.1
213.14839	0.4
215.03380	0.5
239.20172	0.6
241.21770	1.5
243.02980	0.5
247.16948	0.4
257.17807	0.4
262.21878	0.7
264.23361	1.4
271.22861	1.1
273.03934	0.4
276.23419	1.0
278.21265	0.5
280.22824	5.2
281.23117	0.5
285.03967	0.8
285.20441	0.5
287.02042	1.1
287.05579	0.7
287.13806	0.4
292.22900	2.5
293.09286	0.4
294.24319	0.6
298.23856	1.0
301.03558	0.6
310.23688	1.0
313.03577	0.6
313.23895	0.4
315.01563	0.6
315.21780	0.8
316.05783	0.6
328.25110	0.6
329.02921	0.5
329.14304	0.5
330.03760	0.8
330.14157	2.2
330.26517	11.8
331.04767	0.6
331.08350	3.5
331.26611	1.2
337.23959	2.5
343.24835	4.5
355.15756	0.7
355.24930	1.1
372.17471	0.6
373.16595	4.3
373.20999	0.7
373.21753	0.6
373.25909	4.3
410.29156	0.7
426.28516	1.0
431.26547	0.4
438.28754	2.0
444.29767	0.7
455.40234	0.4
456.30023	0.6
462.22473	0.5
474.30722	46.3
475.30878	9.0
477.27274	0.5
492.31790	75.8
493.32141	11.6
499.29294	1.6
505.30612	2.4
517.30383	0.5
534.32367	6.5
535.10657	4.4
535.31281	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01258	3.0
63.02262	0.6
65.00190	2.4
67.59719	0.3
69.03323	0.4
70.00925	1.3
71.01261	1.8
72.99168	0.4
73.02805	0.5
73.13936	0.3
81.03418	0.3
83.01266	1.5
85.02822	1.6
89.02325	1.1
93.03314	0.5
95.01263	1.1
96.99185	0.4
97.96713	0.3
98.19833	0.4
99.00761	0.5
99.04419	0.5
101.02336	1.1
107.01270	2.5
107.51366	0.3
108.02094	0.4
109.99976	5.7
111.00773	2.8
113.02332	0.4
118.19104	0.3
119.01262	0.4
119.03399	0.5
121.02829	0.7
123.00785	1.3
123.04417	0.3
124.01528	0.8
124.98783	0.4
125.02328	3.7
133.02881	0.4
135.00746	0.5
136.01569	1.0
136.98711	1.5
137.02338	0.7
137.99503	2.9
139.00275	8.7
139.01360	0.5
139.03929	1.1
140.00684	0.3
141.01915	0.3
141.99008	0.3
143.04964	0.7
145.02872	0.4
147.00758	0.5
147.04410	0.6
149.02341	3.3
149.99506	0.7
150.02682	0.3
151.00278	10.1
151.03926	2.1
152.01108	1.6
153.01813	0.3
155.10736	1.3
159.04395	1.7
161.02339	0.7
163.00285	4.0
164.01065	3.7
164.98199	2.4
165.98991	11.7
166.99770	3.1
167.03351	0.6
169.01419	0.4
171.04451	2.3
172.04893	0.3
173.02272	0.5
173.04462	0.5
174.03127	0.4
175.00269	2.1
175.03954	0.8
176.01105	0.5
177.01735	0.4
177.99013	1.0
178.99780	11.6
180.00166	0.6
185.02339	0.6
186.03229	0.5
187.03929	3.0
188.04495	0.3
189.01819	1.5
191.03455	0.4
193.01353	0.6
193.98463	1.3
197.02260	0.6
198.03215	0.7
199.03909	2.2
199.09668	0.9
201.01878	0.8
202.02634	1.3
203.03416	2.4
205.01349	0.4
206.99223	0.4
208.72940	0.4
213.01822	1.3
214.02708	0.9
215.03436	6.8
216.04062	1.0
217.01334	1.1
218.02162	0.4
219.03014	0.9
225.01874	0.3
226.02567	1.0
227.03387	1.5
229.01344	0.8
230.02200	0.9
231.02946	4.7
232.03572	0.5
237.10411	0.3
241.01379	3.3
242.02124	2.8
243.02969	8.0
244.03629	1.4
245.00951	1.0
247.02632	0.4
254.02193	0.3
255.02963	1.3
256.03604	0.4
257.00848	0.5
257.04620	0.5
258.01743	3.2
259.02454	9.0
260.02954	1.1
269.00867	1.2
269.04361	0.3
270.01694	2.7
271.02441	8.0
271.05466	0.4
272.03186	4.5
273.03986	1.0
284.03394	0.4
285.01111	0.4
285.04013	1.7
286.01169	2.0
286.04413	0.6
287.01981	61.6
288.02390	6.0
298.01138	2.3
299.01984	3.8
300.02570	1.2
301.03485	2.7
302.04312	1.9
303.01654	0.4
303.05035	0.9
312.99969	0.6
313.03534	2.3
314.00711	0.3
314.04092	0.6
315.01474	38.0
316.02191	39.1
317.02570	4.2
329.02997	1.3
329.56924	0.3
330.03790	26.6
331.04562	67.1
332.04886	5.5
373.05386	0.6
373.25897	0.8
475.08594	0.3
493.10004	1.1
503.08542	0.4
517.08698	0.3
520.08551	0.8
535.10931	100.0
535.31061	2.0
536.11273	17.1
536.19775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03318	3.8
57.91051	0.9
58.31259	1.0
59.01250	27.9
61.98694	2.9
63.02242	1.2
64.57423	1.0
65.00202	11.8
68.99705	1.2
69.03336	1.2
69.51211	1.0
69.51558	7.8
71.01256	14.4
72.99181	1.7
73.02826	5.1
80.68198	1.1
83.01261	7.4
85.02826	16.6
87.00771	2.9
89.02326	6.9
93.03318	1.7
95.01263	1.7
95.62113	0.9
98.19772	2.3
99.00735	2.0
99.04389	1.0
101.02327	8.8
107.01273	20.8
109.02833	3.5
111.00723	2.1
111.04490	0.9
113.02345	5.3
119.03388	3.4
123.04395	1.4
125.02328	6.1
129.01845	7.3
131.01331	1.0
132.04428	1.1
134.03690	2.7
134.06012	3.3
135.04413	79.8
136.04753	3.1
137.02344	2.9
137.09691	1.2
139.03934	1.0
140.72531	0.9
141.25920	1.0
143.03429	1.2
146.02490	1.0
147.02885	2.4
148.01431	1.0
149.04347	1.1
151.00276	100.0
151.03905	2.0
152.00644	3.3
152.85046	1.3
155.10666	8.6
156.37042	1.0
161.02382	1.3
161.04443	1.8
163.00117	1.1
164.01076	1.4
164.03365	1.6
164.07050	4.9
165.99062	1.5
167.03477	2.4
169.01366	1.6
173.00745	1.8
173.04471	1.8
175.00246	7.6
176.15524	1.1
177.01848	3.1
178.99687	1.3
179.05554	1.4
181.01375	2.1
181.69379	0.9
191.01868	3.1
191.05539	1.6
193.01308	2.2
199.09692	3.8
203.02058	1.1
204.02876	2.6
205.03203	1.5
243.02788	1.8
270.01553	1.3
271.02365	2.2
272.02713	1.2
286.86136	1.2
287.05621	91.9
288.05865	8.6
300.02612	2.0
311.14111	2.8
313.03369	1.5
314.03796	1.5
315.04791	1.7
331.04633	7.4
332.04980	2.4
341.04742	1.4
353.05344	1.3
354.05798	2.3
355.06345	5.1
359.06064	1.4
373.25992	2.4
405.07849	1.2
478.10751	1.1
491.12515	1.5
491.20398	2.4
493.09753	1.3
494.09760	2.6
517.12238	1.5
535.12714	13.3
535.19897	2.5
535.31915	5.0
536.12732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
57.35611	0.7
59.01251	8.2
69.03316	0.9
71.01272	2.0
72.87598	0.8
73.02818	3.0
79.38989	0.8
81.26786	0.7
83.01256	0.9
85.02833	3.2
87.04405	1.4
89.02316	1.6
90.83717	1.0
91.31077	0.8
93.38966	0.8
97.02836	1.0
98.20548	2.3
101.02326	1.5
107.01234	1.1
113.02314	1.3
120.34810	0.8
124.01573	1.4
125.02334	1.7
129.01889	1.2
135.00777	1.4
136.01506	0.9
137.09645	6.4
151.00284	3.6
151.47447	0.8
152.01004	1.9
155.10689	50.0
156.11049	1.8
159.04507	0.8
163.00137	0.9
164.01073	1.3
175.99043	0.8
178.99811	4.5
187.03941	2.1
199.09703	44.8
200.10030	1.8
203.03432	2.1
214.02618	3.8
214.38602	0.9
215.03395	2.1
219.03009	0.9
231.02965	1.8
241.01407	1.2
241.10815	1.3
242.02097	4.1
243.02905	4.1
259.02475	7.8
270.01773	4.2
271.02487	29.4
272.02838	1.8
287.01990	40.7
287.11249	4.2
288.02493	3.6
314.97742	1.6
315.01468	53.0
316.02222	100.0
317.02640	8.1
319.28473	1.0
330.03629	4.9
331.04593	60.4
331.13867	2.7
332.04941	5.7
403.16110	2.9
503.13333	2.1
520.08661	2.7
535.11011	36.0
535.19934	3.5
536.11090	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.2
57.03325	4.7
59.01249	5.0
63.02272	1.8
65.00191	4.7
65.00523	0.3
69.03322	0.9
69.38931	0.2
71.01248	2.2
71.62114	0.2
72.99183	0.3
73.02811	1.5
75.00739	0.3
80.21600	0.2
81.03340	0.7
83.01254	4.9
85.02822	3.3
86.03135	0.3
87.00739	0.4
89.02318	1.1
91.01778	0.6
91.41070	0.2
93.03339	0.5
95.01263	0.8
97.02831	0.4
99.00773	0.5
101.02325	1.5
103.05374	0.2
107.01270	7.7
108.01594	0.3
109.02866	0.4
111.00797	0.6
113.02333	0.8
119.01307	0.4
119.03383	0.4
122.32114	0.2
123.00775	0.8
124.01562	2.3
125.02337	26.1
126.02672	0.8
127.05472	0.3
129.01839	0.8
135.00783	0.7
135.04440	0.3
135.08087	0.3
136.01559	4.2
137.02328	0.4
137.09624	1.6
139.00290	0.6
139.03947	1.3
143.04910	0.6
145.02859	0.4
147.02907	0.6
147.04413	1.0
149.02368	0.5
149.99524	0.8
150.03169	0.3
151.00273	27.7
151.03888	0.7
152.01071	5.9
153.01755	0.3
155.10686	8.8
159.04411	0.5
161.02396	0.3
161.04428	0.4
161.99503	0.4
163.00279	20.1
164.01062	24.3
165.01360	0.9
165.98979	0.4
167.03403	0.2
169.01337	1.6
171.04407	1.1
173.00807	0.4
173.02274	0.3
173.04492	0.4
174.03174	1.8
175.00323	0.2
175.03870	0.5
176.01070	0.3
177.01799	1.4
178.02560	0.3
178.99780	20.8
179.03181	1.0
180.00171	1.1
181.08650	0.4
185.00841	0.6
187.03920	1.0
188.04703	0.4
189.05470	0.7
189.99022	0.6
190.99776	0.3
191.01889	0.5
191.03444	0.5
191.05531	0.4
192.00580	1.5
192.02193	0.3
193.01349	3.4
198.03110	0.2
199.03908	1.0
199.09685	6.1
200.04675	0.7
200.10141	0.4
201.01875	0.6
202.02646	1.5
203.03363	0.5
204.04294	0.2
205.01398	0.6
206.02185	0.6
206.99196	0.3
207.06645	0.2
214.02744	0.3
215.03438	7.2
215.06802	0.3
216.04170	2.1
217.01291	0.4
217.04874	1.0
218.02144	0.3
219.02937	3.4
220.03583	0.3
223.02478	0.2
226.02647	2.1
227.03366	1.1
230.02098	0.3
231.03008	2.1
231.06593	0.5
232.00165	0.2
232.03732	1.5
234.01706	0.2
238.01242	0.9
241.04997	1.6
241.10860	0.2
242.02231	0.7
242.05595	0.3
243.02927	3.6
244.03729	5.6
245.04297	1.1
247.02548	0.3
248.03218	0.2
255.02916	0.4
256.03644	0.2
257.04465	0.3
259.02478	6.6
259.06082	3.6
260.03116	0.9
260.06128	0.3
261.03519	0.3
263.05441	0.2
264.02621	0.2
267.12286	0.3
270.01733	0.5
271.02417	2.9
272.03247	1.9
274.01309	0.2
275.05588	1.6
283.11017	0.2
287.01968	7.0
287.05380	0.5
287.11359	0.5
288.02716	1.9
297.00388	0.5
298.01160	7.1
298.04568	0.3
299.01849	2.4
300.02631	0.6
301.03537	0.8
302.04144	0.3
303.05069	1.8
313.03549	2.1
314.04095	0.3
314.97693	0.2
315.01477	12.1
316.02209	21.7
317.02606	2.0
329.03003	0.5
329.12387	0.3
330.03781	4.8
331.04572	100.0
332.04895	9.8
341.09695	0.2
343.10690	0.3
373.12683	0.5
377.14661	0.2
394.05298	0.4
403.16077	0.5
409.07819	0.6
415.23386	0.4
445.15829	0.2
475.08878	0.6
475.25339	0.4
493.09836	6.1
494.10077	1.0
520.08478	0.6
535.10938	46.1
536.11255	7.3
536.19727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.3
58.00463	1.7
59.01250	41.4
67.01749	1.1
69.03325	1.1
71.01254	23.5
72.99182	2.2
73.02815	7.0
75.00750	2.0
81.70443	1.3
83.01257	4.9
85.02824	12.2
86.95827	1.0
87.00749	100.0
87.04381	2.5
88.01077	1.2
89.02312	28.0
93.03347	3.0
95.01229	1.9
97.02859	1.5
99.00752	4.5
100.67103	1.1
101.02327	17.3
109.02856	1.1
111.00767	36.1
111.04446	1.4
113.02328	14.2
119.03373	10.0
123.04409	1.5
125.02352	4.1
127.00225	2.0
128.03461	2.4
129.01840	11.1
130.99722	2.4
131.03363	1.2
135.04445	2.6
135.08044	2.8
137.02348	2.2
137.09612	11.7
143.03426	1.9
143.04512	2.8
147.02867	3.4
149.04442	1.7
151.11234	1.1
153.01945	1.3
155.10686	57.8
156.11014	3.7
161.02341	1.2
161.04471	4.4
167.03389	1.7
169.12323	1.4
173.00847	3.3
173.04497	7.5
179.03362	1.2
179.05522	5.0
181.08630	12.4
191.05490	5.4
199.09686	46.9
200.09988	3.0
221.06590	1.2
241.10759	9.2
248.07532	1.1
259.06027	3.5
267.12329	8.7
268.12787	1.7
281.10352	1.3
287.05594	4.6
306.07654	5.4
307.07831	4.1
311.11264	6.8
313.14389	1.2
329.12418	65.9
330.12750	7.1
343.95963	1.3
373.15134	4.3
435.15564	1.1
475.21512	3.1
493.22916	2.5
503.16608	1.6
535.14166	1.5
535.21051	1.8
535.27612	8.4
539.88794	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.2
57.03320	3.7
58.00463	0.6
59.01253	42.0
61.98704	15.0
61.99022	0.5
65.00192	1.8
66.08980	0.5
67.01739	0.7
68.99714	0.7
69.03331	1.5
71.01254	17.8
71.04923	0.7
71.53578	1.2
72.99186	2.4
73.02827	7.9
75.00735	2.3
83.01263	5.5
84.02069	0.9
85.02834	8.6
87.00748	6.2
87.04378	3.4
89.02312	12.8
93.03329	0.8
95.01263	1.7
97.02838	1.3
97.06519	0.8
99.00759	4.7
101.01692	1.1
101.02330	10.9
107.01257	1.5
109.02835	1.7
111.00768	15.1
113.02331	8.8
114.14234	0.6
115.00266	0.8
119.03394	6.3
121.02854	1.0
121.06470	0.6
123.00746	1.4
125.02351	9.5
129.01855	3.8
131.03409	1.8
134.03554	0.7
135.04425	1.8
135.08044	3.1
137.02312	1.1
137.09619	16.5
138.09946	1.1
139.00287	1.1
139.11124	0.8
143.03392	2.5
145.02856	0.8
145.06448	0.8
147.02898	3.9
147.04404	1.0
148.01585	0.8
149.02365	1.1
149.04451	1.5
151.00249	4.3
152.01004	1.1
153.01813	0.9
155.10684	100.0
156.11053	5.1
159.04366	1.1
161.02332	2.0
161.04553	4.0
161.05779	1.0
163.03957	0.9
165.99106	0.9
166.99763	1.6
167.03383	1.0
169.12175	1.6
171.04419	1.0
173.04475	1.2
175.02457	1.4
175.03838	0.8
177.01834	1.1
178.99774	2.9
179.05522	2.1
181.08630	7.4
190.05009	0.7
191.05452	0.7
193.01329	1.8
199.09698	92.5
200.10057	4.7
202.01221	0.7
213.11328	1.1
215.03418	1.1
241.01201	0.6
241.10899	5.7
243.06505	0.8
244.03781	0.7
259.06104	5.7
267.12387	1.9
269.04565	5.4
271.02368	1.9
272.02951	0.8
283.11087	3.4
287.01974	2.5
287.05566	4.5
301.03583	0.6
309.08762	0.9
311.11365	2.2
313.12903	3.4
315.01428	4.7
316.02179	2.1
317.03149	0.8
327.09866	2.2
329.12387	36.0
330.03729	0.9
330.12744	4.4
331.04474	1.4
331.13882	3.6
338.03210	0.9
341.10864	0.7
347.13351	1.2
355.03067	1.2
356.03967	1.6
359.12228	0.7
369.19073	1.3
371.08710	1.8
373.15286	1.2
387.10858	0.7
387.20416	0.9
400.08771	0.8
403.11267	3.4
403.16125	4.9
406.71521	0.8
415.23322	5.8
416.23621	0.7
423.98413	0.8
429.20932	1.6
433.24185	1.9
475.25372	1.0
493.26843	0.7
503.13217	1.1
517.13721	1.0
518.09338	2.6
535.14624	3.8
535.20190	5.5
535.27954	6.1
536.10016	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	535.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
58.00457	2.1
59.01249	34.8
60.99176	0.8
67.01766	1.7
71.01252	19.1
71.02065	1.7
72.99176	3.0
73.02813	3.1
74.02329	1.1
75.00726	0.9
83.01250	2.9
83.04901	0.9
85.02825	8.6
87.00749	11.3
89.02315	18.6
93.03336	9.4
95.01248	1.8
96.64808	0.6
99.00773	1.2
99.05488	0.8
101.02325	12.3
104.04935	2.6
106.06532	2.1
108.04430	3.6
109.92727	0.6
111.00793	3.4
111.04399	2.1
113.02328	8.3
113.68762	0.8
119.03400	4.7
122.06031	0.9
125.02298	1.2
128.03416	2.2
129.01849	3.7
131.03477	0.7
132.04442	37.0
133.04745	1.6
134.06020	23.6
134.07022	1.6
135.04420	2.5
135.06331	1.0
135.08008	0.8
137.09631	2.0
143.03423	0.9
143.04469	3.5
144.04543	1.3
148.03926	1.7
149.04457	0.9
152.07094	3.6
153.01852	2.1
155.10675	14.5
156.10893	0.7
158.02377	1.1
158.06017	3.1
160.00545	0.8
160.03951	1.1
161.04440	1.4
163.03757	0.8
169.04848	1.0
173.00810	0.9
173.04485	6.2
176.03442	6.4
177.03847	0.7
179.05623	0.8
181.08568	1.1
188.03415	2.0
190.05035	4.5
191.05508	4.2
199.09682	11.0
202.04944	1.0
202.99362	0.6
241.10797	1.1
251.11827	4.5
255.07822	0.8
255.11377	3.0
267.12018	0.9
272.08972	1.3
273.08969	0.7
279.08499	1.3
279.11417	14.5
280.11624	1.8
295.10855	3.4
296.11215	0.8
297.12335	0.9
306.07678	6.0
307.07950	4.3
314.12445	2.6
323.10339	7.8
329.12384	6.0
331.04813	0.8
370.24384	0.7
373.10962	1.1
373.15057	10.6
374.15399	1.3
435.17792	5.6
459.17715	18.8
460.17947	2.8
475.17249	2.3
493.22845	1.0
498.27332	0.9
503.16705	100.0
504.17096	14.3
517.18408	7.9
535.12701	1.5
535.19867	14.3
535.32062	0.9
536.20038	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	535.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03323	2.4
58.00462	5.5
58.73642	0.5
59.01251	100.0
60.01595	1.2
67.01747	1.0
69.03336	0.5
71.01254	74.5
72.01582	1.6
72.99182	8.6
73.02824	4.5
75.00759	1.0
81.03367	0.7
83.01260	4.8
83.04893	0.5
85.02822	17.6
87.00751	18.2
87.04411	0.7
89.02316	90.5
90.02652	1.5
93.03340	4.8
95.01262	4.9
97.02817	0.8
99.00740	2.8
99.99455	0.5
101.02321	44.7
102.02645	0.8
109.02870	1.2
111.00767	4.9
111.04404	1.0
113.02328	28.8
114.02670	0.7
115.00282	0.7
115.03927	0.8
119.03389	41.1
120.03746	1.0
124.01595	0.5
125.02325	3.5
129.01839	2.0
131.03354	3.9
132.04457	0.7
135.04431	4.2
136.04756	1.2
137.02364	0.9
137.09624	2.1
139.00259	0.6
143.03404	5.7
149.02382	0.6
149.04433	3.6
150.05577	0.6
155.03429	0.7
155.10681	10.5
159.02867	0.8
161.02386	0.7
161.04453	7.3
165.01848	0.6
167.03384	0.6
168.06573	0.5
173.04463	6.2
175.02432	0.5
175.05026	0.6
178.99883	0.7
179.03423	1.6
179.05533	14.7
180.00055	0.5
180.03722	1.1
180.05878	0.8
181.08594	1.4
191.05531	4.0
192.05855	0.9
194.32410	0.5
199.00993	0.5
199.09718	5.9
219.02887	1.3
220.03352	0.6
232.89890	0.6
241.10852	1.2
259.05963	0.7
269.04526	1.0
273.11169	0.5
287.02097	0.8
287.05569	0.5
311.10904	0.8
329.12448	7.6
331.12900	1.4
355.21207	1.0
373.15121	2.6
373.22113	0.8
410.07013	0.8
451.41827	0.5
518.77393	0.6
535.14276	1.5
535.27582	46.3
536.10321	1.5
536.27899	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	535.312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03323	0.9
58.00470	3.3
59.01250	65.2
60.01579	0.8
61.98682	0.5
69.25705	3.9
71.01252	29.6
72.01614	0.5
72.99178	3.7
73.02820	1.3
75.00729	0.4
83.01238	2.0
85.02812	6.3
87.00775	0.8
89.02316	33.6
90.02673	0.8
91.00365	0.4
95.01269	3.0
99.00794	1.0
101.02320	21.1
102.02691	0.5
108.26102	0.4
113.01529	0.7
113.02325	11.6
115.07524	0.4
119.03385	13.5
131.03406	0.9
143.03438	0.9
149.04501	0.8
161.04413	1.2
179.05565	2.4
194.18733	0.5
231.01051	0.5
243.16237	0.4
267.51981	0.4
281.24783	1.5
311.25793	0.8
343.24701	1.0
535.31195	100.0
536.31525	18.8
547.84271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3123
Annotation	Antibiotic BU 2867TG
Peak:m/z	Relative Intensity
55.01754	0.7
57.03316	1.5
58.00457	0.6
59.01252	20.9
60.01570	0.3
69.03323	0.3
71.01254	10.7
71.04877	0.8
72.84866	0.3
72.99173	0.5
73.02818	4.8
75.00751	0.4
81.03374	0.3
81.18766	0.3
83.01265	1.9
85.02824	5.0
87.00757	1.1
89.02316	4.7
92.83633	0.3
93.03345	2.1
95.01252	0.9
97.02802	0.3
99.00751	0.8
101.02324	9.5
101.39156	0.2
103.03855	0.3
111.00749	0.5
111.08033	0.5
113.02324	4.4
116.84048	0.3
119.03397	1.5
121.02869	0.9
121.10103	0.4
125.02338	0.4
127.11227	0.3
137.02336	3.3
137.09608	0.6
139.70081	0.3
146.57610	0.3
155.10690	4.9
161.04440	1.2
169.12306	0.3
171.13860	0.4
173.04520	0.8
197.06042	0.3
199.09695	1.9
214.27774	0.3
224.02112	0.3
227.07137	2.3
228.07552	0.3
279.23367	1.0
297.24283	0.5
306.49869	0.3
309.24536	0.5
330.03830	0.4
343.24771	1.5
355.24930	1.2
357.26413	2.0
373.15097	3.3
373.25888	3.8
374.15344	0.4
374.26331	0.5
376.58917	0.3
475.29333	0.9
505.30319	1.1
517.30780	0.4
535.31226	100.0
536.31561	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	536.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89302	2.2
59.01250	28.7
61.98705	6.6
65.00195	7.6
65.99714	6.4
69.03314	3.3
71.01265	20.8
71.53031	3.9
72.99169	3.3
73.02820	3.9
83.01260	7.0
83.02372	12.2
85.02828	10.5
87.00699	3.1
89.02315	10.0
92.07673	2.3
93.03337	5.7
95.01262	9.1
97.02842	3.0
99.00746	13.4
101.02341	10.8
107.01272	7.0
109.02824	18.7
109.99986	3.6
111.00779	18.3
113.02338	7.1
119.03370	3.7
121.02826	4.1
123.00758	24.0
123.04433	2.5
124.01571	4.3
125.02317	15.7
125.49964	2.6
127.00226	2.7
133.02893	5.5
134.02388	12.4
135.00803	5.1
136.98691	3.1
137.02318	12.2
137.09630	2.8
139.00267	12.8
141.01859	8.9
147.00790	3.2
147.04402	3.8
148.00446	4.3
148.01546	20.7
148.04034	2.6
149.02356	11.7
150.01808	3.0
151.00278	20.9
152.01059	9.7
152.09483	2.4
153.01828	17.6
155.10664	23.1
156.11008	9.6
158.02351	2.8
159.04475	6.4
161.02333	8.1
161.04393	4.3
162.01884	11.5
163.00301	10.5
163.03931	4.9
164.01045	8.2
164.03462	6.7
164.98302	2.5
165.01820	11.3
165.98955	5.8
166.01373	3.0
166.99789	26.7
167.02138	4.1
168.00470	4.6
169.01344	5.1
173.04544	2.7
175.00310	6.2
175.03918	4.3
176.01096	3.1
177.01855	10.2
178.01335	10.1
178.99796	22.9
180.02969	6.7
181.08713	3.7
183.04375	2.6
184.62898	2.7
186.01909	6.4
187.03926	4.7
188.03438	5.7
189.01814	6.8
190.99707	4.2
191.03452	3.1
192.00558	19.1
192.02859	3.9
193.01349	38.3
194.99228	5.4
199.03868	3.2
199.09698	23.2
200.10019	9.8
201.01872	3.0
202.01230	12.3
202.99699	3.1
203.03482	7.7
203.36386	2.7
204.02933	7.3
205.01376	4.7
206.00858	10.7
206.99300	5.9
207.02882	3.2
208.00105	6.0
208.02310	4.4
211.03920	3.8
215.03436	9.3
216.03853	3.1
219.02936	5.7
220.02402	7.0
223.02255	2.9
226.02666	3.9
227.03523	5.1
230.00941	7.6
231.02989	4.4
239.03450	4.3
242.02049	5.4
243.02873	11.6
245.04604	3.6
246.00400	5.1
255.02995	7.4
256.03287	3.0
257.04474	4.9
258.01770	4.3
259.02377	7.2
266.04675	3.4
267.02844	4.7
270.01389	4.1
270.04071	3.7
271.02438	19.7
272.03131	3.4
282.04187	4.1
283.02295	4.6
284.03125	2.9
285.03922	3.9
286.01044	3.4
287.02023	24.8
288.02603	7.8
289.03448	5.6
294.04095	4.2
295.43405	2.6
298.03766	3.4
299.01990	6.1
300.02658	10.9
301.03387	9.1
302.03592	2.9
310.03500	8.4
311.01941	9.4
311.07617	5.0
312.05258	7.6
315.01413	36.1
316.02219	16.1
317.02914	5.7
326.02853	3.4
328.04984	3.6
328.40286	2.8
329.02975	11.5
329.12430	7.2
330.12701	5.7
333.02444	7.1
337.02145	3.6
338.03098	22.2
347.04181	3.6
355.02866	18.0
355.07114	20.0
356.04016	42.0
357.04431	5.2
359.06094	3.7
367.06265	2.8
371.06171	10.6
373.03986	6.0
373.08041	6.0
374.04993	4.1
382.07526	3.3
384.09509	4.9
387.05643	4.1
399.05865	3.3
400.08807	18.1
410.07294	7.9
426.07065	6.1
451.08936	6.0
463.09363	4.7
477.06833	5.5
478.07568	12.6
479.07629	3.2
491.08502	11.2
492.11722	2.9
495.07748	7.8
509.09497	25.9
510.09744	5.3
518.09357	51.3
519.09650	8.5
536.10419	100.0
536.18707	5.0
537.09961	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	537.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.3
59.01256	8.8
61.98721	2.8
63.02259	1.6
65.00190	6.5
67.01813	0.9
68.99715	1.8
69.03326	1.6
71.01254	5.3
71.53558	0.7
71.53921	0.7
72.25294	0.6
73.02824	3.8
73.55088	0.6
75.00755	0.8
79.01813	0.9
81.03371	1.0
83.01266	4.3
85.02867	1.8
89.02351	1.7
91.01790	0.7
92.99686	0.6
93.03356	1.2
95.01261	4.5
96.38407	0.6
96.99175	3.3
97.02856	1.4
99.00825	1.1
101.02364	2.4
106.00511	1.9
107.01284	6.4
109.02837	7.5
110.00019	2.8
111.00753	6.1
111.01342	0.5
111.44989	0.6
113.02380	2.6
120.99249	0.8
121.02885	2.5
123.00768	5.2
123.04424	0.7
124.01595	2.1
124.98739	2.7
125.02329	4.7
131.03415	0.7
131.04948	0.9
133.02896	2.3
134.51082	0.7
135.00807	2.2
135.04401	1.7
136.98730	2.5
137.02382	2.3
137.99496	1.2
139.00269	11.5
139.03929	0.8
140.01068	1.2
141.01854	2.8
143.04939	2.5
145.02893	1.3
147.04419	1.9
148.01572	1.6
149.02345	4.8
149.99525	2.4
151.00273	19.8
152.01065	3.3
153.01817	2.9
153.98949	3.4
154.99765	8.5
155.10680	9.3
156.11000	4.1
157.02919	0.7
157.11227	1.0
158.03592	0.8
159.04427	5.0
161.02388	2.4
161.06073	0.8
163.00247	4.1
163.03943	1.9
164.01053	2.6
164.98166	3.9
165.01888	2.2
165.98985	6.5
166.99789	4.2
168.00586	2.6
169.01401	3.8
169.02721	1.1
171.04430	4.0
173.02400	2.5
174.03134	1.8
175.00348	0.9
175.03940	3.2
176.01125	1.7
177.01846	4.7
177.98993	3.5
178.99765	17.2
179.01283	1.0
179.03319	0.9
179.05629	0.7
180.00357	2.0
180.97728	0.8
181.01295	2.0
181.98524	5.6
183.04477	1.0
185.00919	0.8
185.02443	1.3
187.03931	11.5
188.04449	1.4
189.01814	3.1
189.05476	1.4
190.02538	1.1
190.99791	1.0
191.03481	2.4
191.05437	0.6
192.00566	1.9
193.01361	4.4
194.99269	4.2
197.02423	1.3
199.04018	4.3
199.09680	7.4
200.10016	5.2
201.01822	3.3
201.10274	2.0
203.03433	15.1
204.03856	1.4
204.97739	0.7
205.01385	1.6
205.04976	1.2
205.98328	0.7
206.02132	1.1
206.99358	1.3
207.02895	1.2
208.00064	1.2
209.00829	1.4
209.97913	0.7
212.37094	0.7
213.01828	1.5
214.02760	0.8
215.03429	8.4
216.04024	0.9
217.01433	4.4
217.04918	1.2
218.02019	0.8
219.02936	3.6
222.98792	1.6
227.03465	1.2
229.01337	2.4
230.02211	1.6
231.02954	12.9
232.03635	3.6
233.00885	1.0
233.04500	3.9
235.02286	0.8
241.01288	1.3
242.02219	2.4
243.02942	12.1
244.03349	1.7
245.00943	2.2
245.04590	1.4
246.01463	1.1
247.02448	2.4
248.03011	0.7
255.03026	0.9
257.00894	1.5
258.01736	3.1
259.02466	7.9
260.03204	2.5
261.04044	2.9
265.05496	0.9
269.00912	1.9
270.01657	0.8
271.02451	11.5
272.02811	1.5
275.02039	1.1
286.01169	6.0
287.01968	59.2
288.02466	8.7
289.03595	3.8
289.06235	0.6
290.03610	0.7
297.00455	5.0
298.01129	1.0
299.01895	1.5
300.02686	2.6
303.01480	4.7
304.02203	2.0
314.00635	1.8
315.01462	100.0
316.01788	10.6
317.02899	2.1
330.45755	0.6
332.01712	34.0
333.02405	15.0
362.40598	0.8
385.07831	1.5
397.07498	0.7
401.07318	2.4
437.10620	1.1
493.09802	1.1
495.07654	1.7
519.07910	2.9
536.54303	0.7
537.08746	41.8
537.32642	1.3
538.08990	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	537.1554
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
55.12019	1.3
59.01246	7.5
61.98692	1.9
66.68877	1.6
71.42648	1.5
71.42974	1.7
85.42255	1.2
91.73018	1.3
93.03325	4.1
113.99442	1.5
118.26074	1.2
133.02824	1.3
155.13181	1.2
155.19353	1.4
173.04475	4.3
175.07545	1.3
193.14436	1.3
195.04411	5.8
197.02307	1.2
197.92804	1.2
210.03026	1.5
211.13268	3.0
220.51894	1.3
221.05954	1.6
223.03966	5.7
223.14284	1.6
224.01048	1.3
224.04637	6.2
225.01932	10.7
225.05423	2.6
226.02498	2.5
235.36160	1.2
237.01640	1.4
238.02699	2.5
238.06313	3.0
239.07121	1.9
245.36053	1.3
267.02792	1.4
293.21255	1.6
351.07156	1.7
361.14670	2.6
377.08221	2.1
405.07639	4.4
420.10306	2.0
421.07047	6.0
431.05292	4.9
432.06250	3.7
433.07022	1.6
435.08569	2.3
436.09750	1.8
445.07199	2.0
446.07693	4.2
447.08670	4.3
449.06619	5.8
463.08279	5.1
464.08911	12.7
477.05878	6.1
479.04999	2.6
479.11395	30.6
480.11606	4.2
491.11536	6.3
492.08414	25.9
493.08755	5.0
506.14346	6.2
507.10767	60.6
508.11081	9.1
521.12970	1.8
522.13129	48.1
523.13214	10.2
537.15546	100.0
537.22595	6.5
538.16089	22.2
538.23456	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	537.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53157	0.3
55.01759	0.5
55.10586	0.3
57.03319	0.8
58.00449	0.4
59.01252	38.6
61.98713	0.6
66.68840	0.3
67.01754	0.3
69.03335	2.2
69.24632	0.3
69.38228	2.2
71.01254	8.1
72.99187	0.4
73.02825	2.8
74.30021	0.3
75.00757	0.4
81.03342	0.4
83.01270	1.7
85.02819	3.7
87.00756	1.9
87.04394	0.9
88.00288	0.5
89.02319	4.7
93.03339	5.2
95.01268	0.6
97.02845	1.0
99.00761	1.5
99.04391	0.3
101.02333	4.5
101.05984	0.3
108.02084	1.3
111.00764	0.6
113.02325	3.3
119.03385	0.9
121.02845	65.5
122.03623	2.8
125.02340	1.7
125.09630	0.5
125.51854	0.3
135.04477	0.7
136.05115	0.3
137.02339	0.6
141.01833	0.6
143.03406	0.4
147.04408	0.4
149.04489	0.9
150.03130	0.8
151.03897	0.9
151.07547	0.9
159.02850	0.4
161.04463	1.7
162.03143	0.4
171.13867	0.6
173.04457	0.6
179.05522	0.6
185.00848	1.8
187.13359	0.8
191.05476	0.6
225.05310	0.3
227.07115	0.7
228.13351	0.3
233.06682	0.9
243.10233	2.1
257.08173	0.3
258.09024	1.3
259.09714	0.7
271.09726	0.9
272.10535	25.5
273.11313	100.0
274.11646	10.6
287.09219	0.7
293.08795	1.5
305.10226	0.8
315.12372	2.6
315.25470	0.5
316.12900	0.4
327.12433	0.8
333.26544	0.9
349.18768	2.4
375.27765	0.4
417.15634	1.3
435.16772	0.4
477.17969	1.9
477.30682	10.0
478.18604	0.3
478.31070	1.0
495.32031	3.0
519.31555	1.0
536.31805	0.5
537.26758	0.5
537.32916	9.5
538.32947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.8
57.03315	0.8
59.01251	24.9
59.20895	0.6
61.98704	3.4
67.01762	1.4
69.03327	100.0
70.03662	2.3
70.75318	0.5
71.01257	6.4
71.52340	0.9
72.99185	2.9
73.02811	3.1
73.28236	0.6
75.00747	0.6
79.01796	1.6
83.01261	1.5
83.04919	0.7
84.85763	0.6
85.02807	4.3
86.45854	0.6
87.00753	1.2
89.02328	1.7
93.03334	1.1
95.01256	3.4
95.04938	0.6
97.02831	21.5
99.00757	28.4
100.01093	1.0
101.02315	4.0
111.00780	0.7
113.02333	2.9
123.00774	1.2
125.02291	0.7
135.04445	1.0
141.01837	7.9
161.04457	1.4
165.01813	0.7
173.04459	1.8
185.00836	82.8
186.01198	4.3
191.05421	1.2
256.54831	0.6
315.19702	0.6
333.20776	3.1
334.20197	0.6
351.21829	2.6
475.76041	0.7
477.24661	1.3
477.30600	1.5
479.28412	1.0
507.31326	0.7
537.22998	9.6
537.32947	1.0
538.23798	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03328	0.7
58.00479	0.2
59.01251	100.0
60.01583	1.1
60.99181	0.3
61.98703	0.6
64.70812	0.2
67.05401	0.2
69.03336	2.5
70.40627	0.3
71.01253	8.5
72.99186	0.5
73.02820	2.8
75.00745	0.4
81.03312	0.3
81.76978	0.2
81.98267	0.2
83.01244	1.6
84.02060	0.3
85.02824	4.4
87.00758	0.5
88.98676	1.1
89.02322	3.0
89.02828	0.2
93.03368	0.5
95.01266	1.1
97.02853	0.8
99.00725	1.4
101.02325	4.5
102.02666	0.3
109.02840	0.5
109.06458	0.3
111.00790	0.2
111.04417	0.5
113.02328	4.3
119.03407	0.8
119.04921	0.2
121.02886	0.3
121.06528	0.2
125.02384	0.4
129.01862	0.6
131.03384	0.3
134.18268	0.2
135.04468	0.2
137.09608	0.2
141.01819	0.2
143.03447	0.5
151.03909	0.3
152.07117	0.2
155.10730	0.5
159.02969	0.4
161.02409	0.2
161.04460	2.9
164.08389	0.2
173.04544	0.7
177.12764	0.3
179.03368	0.2
179.05708	0.3
185.00842	1.5
191.05545	0.4
191.14400	0.4
199.09708	0.2
201.77583	0.2
203.14377	0.2
231.51645	0.2
243.17592	0.5
255.17685	0.5
259.20578	1.7
271.20660	4.6
272.21149	0.5
287.22403	0.2
289.21765	4.0
290.22272	0.6
315.19589	3.3
316.20001	0.4
333.20694	21.3
334.20938	2.2
374.15604	0.4
375.15762	0.5
396.98007	0.2
477.24881	6.0
477.30081	0.5
478.25589	0.8
493.27753	0.2
495.26074	2.1
495.32004	0.2
496.26465	0.4
536.31854	0.2
537.27173	3.0
537.34393	3.2
538.27563	0.6
538.34076	0.4
551.69788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2705
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
55.01756	0.7
57.03321	1.1
59.01250	100.0
60.01583	1.0
61.82112	0.3
61.98703	1.1
64.56961	0.3
69.03329	2.1
69.21011	3.5
71.01256	11.2
72.99165	0.6
73.02818	3.8
75.00755	1.4
83.01263	1.7
83.04907	0.5
85.02823	4.9
87.00744	0.7
89.02325	4.6
95.01256	0.8
97.02827	0.7
99.00774	1.5
101.02325	7.8
109.02853	0.7
113.02335	6.2
119.03413	1.5
123.04354	0.4
123.08031	0.6
125.02331	0.7
129.01883	0.5
131.03395	0.4
133.44701	0.3
137.02354	0.5
143.03409	0.7
151.03966	0.4
159.02921	0.4
161.04463	2.1
162.04871	0.4
173.04538	0.9
179.05635	0.4
185.00844	2.2
191.05530	0.4
191.14363	0.4
221.12970	0.3
273.11423	0.7
289.21689	2.6
290.22073	0.4
315.19720	0.8
333.20740	7.2
334.21149	0.9
375.27835	0.5
474.69208	0.3
477.24875	14.6
477.30441	1.2
478.25046	2.7
495.25958	11.3
495.32700	0.8
496.26434	2.1
537.26495	8.0
537.33124	1.7
538.27722	1.4
552.00671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62799	0.3
52.70970	0.3
53.95272	0.3
55.01759	0.9
57.03338	0.8
58.00463	0.6
59.01250	100.0
60.01592	0.9
61.98707	0.7
69.03326	4.3
69.65916	1.9
71.01254	9.7
72.99174	0.8
73.02822	4.5
75.00748	0.5
76.73407	0.3
83.01247	1.8
83.04882	0.4
85.02825	4.7
87.00742	0.5
89.02316	3.8
89.02746	0.3
95.01283	0.8
97.02866	1.0
99.00765	1.3
99.04369	0.3
101.02322	5.7
102.61774	0.3
108.70638	0.3
108.94394	0.4
112.04384	0.3
113.02332	4.1
119.03373	1.6
121.06471	2.0
121.07220	0.3
123.08086	0.7
125.02335	0.4
135.04416	0.4
135.36934	0.3
141.01947	0.5
143.03423	0.7
149.04512	0.4
161.04491	1.2
167.50940	0.3
173.04456	0.4
184.37108	0.3
185.00835	3.3
189.12761	0.3
201.63203	0.3
203.14384	0.5
229.16046	1.2
238.70476	0.3
239.10356	0.3
271.20660	22.5
272.20959	3.0
289.21863	0.8
315.19614	12.8
316.19949	1.5
333.20593	1.7
334.21124	0.5
351.21960	0.7
405.22556	0.4
463.42188	0.3
477.24924	27.6
478.25235	4.0
495.26028	11.8
496.26312	2.4
521.16614	0.4
535.11871	0.3
537.26587	4.8
537.34277	0.6
538.27472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38446	1.1
59.01252	100.0
60.01588	1.9
61.12447	1.1
70.80609	3.1
88.41266	1.3
93.03342	1.9
94.25700	1.2
103.88704	1.1
111.04417	1.3
164.23523	1.3
171.10172	8.1
173.04405	1.4
209.11716	1.6
211.13316	3.1
233.15407	2.3
249.14905	2.7
265.92081	1.2
459.27481	14.1
460.28049	2.9
477.28561	9.3
507.11053	1.3
522.13519	2.3
537.15479	4.4
537.25946	1.9
538.14703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2865
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
55.01764	1.1
57.03321	2.0
57.11533	0.7
58.00478	0.9
59.01252	67.0
61.98692	2.5
69.03320	6.1
70.49709	0.6
71.01255	24.9
71.04873	0.9
71.53378	0.7
71.53804	0.7
72.01551	0.9
72.99191	2.7
73.02816	14.2
83.01270	4.9
83.04890	2.1
85.02329	0.5
85.02819	12.0
87.00745	2.7
89.02321	7.1
93.03349	1.1
95.01273	2.9
95.04929	0.7
97.02827	2.7
97.06465	0.9
99.00745	3.8
99.04395	4.3
101.02327	16.3
107.04896	1.2
109.02855	0.7
113.02334	10.2
116.44096	0.7
119.03355	2.2
119.08533	3.1
121.02790	0.7
125.02346	1.7
125.06004	0.9
134.05978	1.0
137.09622	4.1
141.01779	0.9
143.03418	0.8
147.04443	1.8
149.04506	0.7
153.09074	0.9
155.10699	0.9
161.02335	1.1
161.04482	2.9
167.10652	0.8
173.04497	1.0
181.08624	2.0
183.13744	0.8
185.00836	3.7
191.05447	0.8
203.86830	0.7
211.13351	7.2
223.06000	0.8
243.15988	5.0
253.09317	1.3
264.20099	0.7
273.22266	1.5
283.10831	0.8
291.23392	1.2
303.12738	0.7
317.21112	2.0
319.22757	7.5
320.07275	1.1
335.09708	1.1
335.22266	3.4
464.18130	1.1
479.26407	10.2
479.32416	0.9
480.26892	1.7
497.27612	12.9
498.27707	2.0
539.28583	100.0
540.20734	1.1
540.29004	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	539.286
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
54.97878	0.4
55.01771	1.1
57.03315	1.6
58.00464	1.7
59.01250	100.0
60.01587	1.5
69.03329	1.6
69.25507	4.7
71.01253	24.4
72.99200	2.0
73.02816	9.7
83.01260	3.9
83.04910	0.8
85.02827	10.4
87.00745	2.4
89.02309	12.3
95.01274	2.0
98.20567	1.1
99.00748	2.7
99.04387	0.4
100.88546	0.5
101.02322	16.9
113.02327	10.5
119.03372	6.3
119.08560	1.3
125.02377	1.1
131.03442	0.9
134.06041	0.9
137.09647	1.7
143.03410	1.7
149.04465	0.5
153.09096	0.5
155.42143	0.4
159.02829	0.6
161.04459	5.0
163.07451	0.5
171.47472	0.4
178.04982	0.6
179.05522	2.1
180.11363	0.4
181.08588	0.8
185.00932	0.6
231.35303	0.4
261.22214	1.2
266.20187	0.5
272.42349	0.4
273.22220	11.5
274.22647	1.1
291.23285	7.0
292.23572	1.1
317.21152	1.0
319.22849	2.7
335.22302	2.2
343.25043	0.5
453.28546	1.0
479.26453	6.4
495.29184	0.7
497.27600	5.0
498.27762	0.8
521.27563	0.6
539.28601	77.1
540.20667	1.0
540.28900	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	540.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	24.9
61.98704	87.4
71.01254	14.9
73.02773	2.8
75.89543	1.9
83.01253	2.3
85.02824	3.6
89.02315	12.1
93.03330	2.7
101.02313	8.4
107.03591	2.6
113.02309	5.3
116.04940	4.3
119.03448	2.7
122.06017	25.0
123.03156	2.3
124.03957	3.2
125.02339	2.6
132.04434	3.6
138.05505	7.8
151.00357	3.3
151.09889	2.3
152.07082	54.0
158.02301	2.5
160.03987	10.7
164.07060	2.9
173.04504	2.4
179.05371	2.1
184.06244	2.2
185.00868	2.9
190.04976	8.6
192.06577	35.9
242.02269	4.9
243.02927	23.3
257.04498	6.9
270.01877	4.8
271.02490	22.7
272.02823	3.8
285.04150	13.0
286.04703	6.2
299.01987	7.8
300.02478	3.3
314.04324	47.4
315.04977	13.2
325.11896	10.7
326.11911	2.7
355.13116	7.8
357.14532	33.2
358.14774	4.6
377.29092	5.7
378.29556	2.7
464.18347	7.9
477.10379	100.0
478.10498	12.8
508.17392	12.8
522.18921	3.9
539.34381	26.4
540.19733	5.0
540.34521	14.9
541.11761	4.4
551.19055	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.4
57.03321	0.9
59.01252	100.0
60.01578	1.1
61.98700	3.4
70.91734	2.1
71.01250	16.4
71.75002	0.9
72.99208	1.2
73.02818	10.0
83.01256	2.5
85.02835	6.6
87.00748	1.6
89.02319	10.2
95.01273	2.3
97.02771	0.9
99.00751	1.2
101.02315	13.0
109.06417	1.2
113.02332	9.2
119.03421	3.0
125.02398	1.2
131.03432	1.1
143.03339	1.0
150.03090	1.2
155.69772	1.0
161.04498	5.2
177.23589	1.1
179.05521	2.7
481.28073	2.1
499.29102	2.1
541.29565	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	541.3021
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
54.65677	0.3
55.01757	0.5
57.03329	1.1
58.00471	0.6
59.01252	100.0
60.01585	1.5
61.98707	4.3
62.81627	0.2
69.03334	1.0
70.72630	0.3
71.01254	16.8
71.04889	0.4
71.14530	0.2
72.99175	1.1
73.01618	0.3
73.02818	5.2
73.03196	0.4
74.48925	0.3
75.00735	0.5
83.01252	2.0
83.04936	0.5
85.02822	7.4
87.00772	1.1
87.04394	2.1
89.02314	6.5
93.03385	0.3
95.01298	1.1
97.02851	1.2
97.06480	0.4
99.00746	1.5
99.04415	0.4
101.02324	9.0
103.03925	0.3
107.04900	0.3
109.06512	0.5
112.01553	0.3
113.02330	8.9
114.02679	0.3
115.03950	0.5
119.03397	2.8
121.06485	11.4
122.06866	0.4
123.08055	0.6
124.01617	0.4
125.02352	1.6
129.01871	0.3
131.03398	0.6
135.04468	0.4
137.02348	0.3
143.03386	2.9
155.10660	0.4
159.02898	0.4
161.04454	4.0
173.04529	0.6
179.05568	0.9
191.05602	0.3
196.33806	0.3
199.09724	0.4
205.03543	0.3
205.16068	0.3
219.17607	0.7
257.19113	0.8
259.07013	0.3
259.20679	3.9
260.20966	0.4
271.20682	2.0
273.22202	0.3
283.20639	3.1
284.21072	0.5
289.21716	3.8
289.24335	0.3
290.22137	0.5
301.21707	8.2
302.22256	1.1
319.22769	12.5
320.23291	0.9
337.23871	0.9
379.25082	0.4
463.27029	0.4
481.28055	20.4
482.28363	3.3
499.29117	12.5
500.29343	2.3
541.30219	2.6
542.30353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3019
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.51152	0.2
57.03311	0.3
59.01251	100.0
60.01591	1.3
69.19260	0.5
69.19661	2.0
69.66772	0.2
71.01250	1.1
72.99176	0.2
73.02831	0.8
83.01231	0.2
83.04920	0.2
85.02836	0.4
87.00775	0.4
88.53896	0.2
89.02347	0.9
101.02306	1.1
102.07283	0.2
111.04416	0.3
113.02344	0.5
114.73286	0.2
119.03425	0.5
121.59164	0.2
161.04521	0.4
481.28198	0.3
541.30359	1.3
542.30811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20799	0.3
59.01253	100.0
60.01598	1.1
63.64286	0.3
67.15521	0.3
70.26827	1.2
70.27180	0.5
81.58279	0.3
100.30022	0.4
144.64114	0.4
152.25365	0.3
213.25052	0.4
281.97281	0.4
303.87320	0.4
359.46768	0.4
375.04489	0.4
385.56516	0.4
417.99066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03318	1.1
59.01250	100.0
60.01591	1.1
61.98706	1.6
63.86314	0.4
67.73369	0.4
69.03347	1.0
71.01254	10.3
71.04893	0.5
72.99171	0.7
73.02820	2.8
83.01263	1.6
83.04900	0.7
85.02814	4.9
87.00753	1.7
87.04402	0.6
89.02319	3.5
93.03368	0.4
93.28492	0.3
95.01273	0.7
97.02848	0.6
99.00761	1.3
99.04383	0.6
101.02323	5.1
111.04420	0.7
113.02328	5.9
119.03390	0.8
125.02329	0.9
126.01867	0.4
127.03899	0.4
129.01854	0.4
131.03426	0.5
141.09151	0.6
143.03416	0.6
155.10727	0.5
161.04459	2.8
165.01836	0.4
173.04549	1.0
179.05493	0.9
185.00836	0.8
191.05576	0.5
277.62946	0.5
307.19315	0.8
483.29599	4.2
484.30173	1.2
501.30701	2.2
502.30707	0.7
543.32147	3.0
544.31995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65963	0.1
55.01751	0.5
56.25891	0.1
57.03324	0.7
58.00464	0.3
59.01250	100.0
60.01590	1.3
61.98709	0.4
62.20367	0.1
68.96918	0.1
69.03339	0.7
71.01254	10.6
71.53577	0.2
72.01576	0.2
72.99191	0.5
73.02820	2.9
75.00738	0.3
75.09917	0.1
77.72670	0.2
83.01261	1.7
83.01737	0.2
83.04892	0.2
85.02822	5.5
85.05931	0.2
86.03146	0.2
87.00754	1.1
87.04376	0.7
89.02317	2.8
95.01270	1.2
95.04903	0.2
97.02832	0.5
99.00758	1.5
101.02313	4.9
105.54121	0.1
109.02869	0.2
111.00802	0.2
112.01578	0.1
113.02331	8.7
119.03387	0.7
123.04461	0.1
125.02360	0.5
137.02371	0.3
139.00313	0.2
143.03400	0.7
155.10728	0.6
159.02908	0.5
161.04463	3.1
165.01849	0.3
173.04456	0.2
179.05557	0.2
185.00868	0.3
199.09737	0.6
236.54379	0.1
265.05164	0.2
273.75174	0.1
289.18134	0.2
339.25400	0.8
366.25052	0.1
367.46356	0.1
483.29642	12.4
484.29938	2.1
501.30734	6.0
502.31177	1.0
543.17352	0.3
543.24512	0.3
543.32324	1.8
544.32135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76219	0.9
59.01241	3.6
63.02259	4.2
65.00179	5.1
65.99707	1.3
69.28301	1.7
69.28707	8.2
71.01250	2.4
83.01250	2.9
84.74385	1.0
89.63464	1.0
93.03326	1.9
93.68258	1.0
98.61602	1.0
107.01266	9.5
109.02818	2.0
111.33425	1.1
121.02861	2.7
124.01544	1.6
125.02361	6.6
128.42523	1.2
133.00568	1.3
133.01581	1.7
133.02846	1.5
147.03178	4.6
147.04404	0.9
148.01547	1.8
151.00275	37.5
152.00960	2.8
160.01515	1.7
160.03906	6.4
161.02336	7.0
162.01842	2.8
163.00252	4.2
164.00978	1.3
169.01291	3.3
170.02339	1.7
171.04338	1.6
175.03966	2.0
178.99800	20.0
183.04443	2.5
186.01949	3.5
187.00319	2.4
187.02582	4.9
187.04086	1.8
188.03424	3.9
189.00522	2.1
190.01367	1.6
191.05560	2.0
192.00517	1.5
193.01419	1.3
194.55243	1.1
199.04007	7.9
200.04572	1.3
201.01839	1.4
211.03961	3.7
214.01297	1.8
215.03519	2.3
225.01877	1.1
226.02652	1.6
227.03470	9.4
228.04245	1.4
232.02393	1.2
239.03572	2.1
240.04156	1.3
241.05180	1.7
243.02943	13.9
244.03384	1.7
245.04416	1.3
250.04976	1.2
251.03516	1.2
255.02946	16.5
256.03549	3.1
257.04568	1.9
265.03885	2.6
266.02090	1.6
266.04663	1.9
267.02887	6.0
268.03552	1.5
268.74838	1.0
269.04538	2.4
271.02484	38.8
271.05481	2.1
272.03238	14.3
273.03867	5.8
282.04083	5.4
283.02423	7.8
284.03131	4.3
285.03992	4.1
293.03448	3.2
294.04080	12.2
295.02328	16.0
296.02872	3.4
297.03909	3.0
299.01965	100.0
300.02615	25.9
301.03467	20.8
302.03989	2.0
310.03543	13.2
311.04443	1.8
312.02737	5.8
313.03491	15.9
314.03979	2.3
315.05072	1.3
321.02826	1.8
322.03577	16.8
323.04047	2.4
324.05148	4.0
338.06580	1.2
339.03818	77.5
340.04556	53.9
340.08743	2.2
341.05139	5.2
364.04617	1.2
477.10068	8.3
478.10934	1.7
502.10025	4.1
503.08688	1.5
504.09100	14.0
505.09448	2.0
517.09772	4.2
544.10962	97.1
545.11365	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	545.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.1
58.00449	2.9
59.01250	100.0
59.67276	1.4
60.01570	3.7
61.98694	5.4
69.03336	2.9
70.19814	1.7
71.01254	42.8
71.01624	3.4
71.04890	4.7
72.01598	2.1
72.99187	5.7
73.02811	19.7
73.03149	1.9
75.00769	1.7
81.03323	2.2
83.01241	8.4
83.04909	5.4
85.02822	21.1
86.03158	1.8
87.00764	6.9
89.02311	17.5
93.03333	4.0
95.01262	4.0
96.95891	15.4
96.96825	2.0
97.02783	2.2
99.00751	6.4
101.02320	31.9
102.02655	1.8
106.04123	3.8
106.06496	2.4
108.04473	2.0
108.08080	2.8
109.02859	2.3
113.02327	24.1
116.04939	9.6
119.03394	7.8
123.08028	1.7
125.02338	6.3
132.04445	3.5
132.05695	2.9
135.04373	2.2
137.02258	2.2
137.09560	1.9
137.72501	1.6
139.07518	4.4
142.06511	19.7
143.03419	4.1
151.03938	3.2
155.10747	2.0
161.04503	5.8
163.06015	2.2
173.04466	8.0
173.09680	2.4
177.01852	1.9
191.05536	3.2
191.10680	3.5
215.64667	2.1
222.07857	3.3
230.09068	2.1
237.10353	7.3
249.10303	17.6
251.11800	2.4
253.13513	2.9
279.11197	3.3
279.13965	5.2
285.34189	1.7
289.06927	3.4
297.12183	3.8
297.15076	4.2
321.16055	4.9
323.10364	4.5
365.15131	3.8
411.20990	2.0
441.19189	28.8
442.19553	5.4
450.73798	4.6
455.20096	7.8
455.26105	2.8
459.20316	20.1
460.20288	2.0
485.26196	2.5
499.18729	3.9
501.21045	16.9
502.21481	2.8
545.18817	28.3
545.28088	19.0
546.19476	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19312	0.5
55.01764	1.0
57.03311	1.5
58.00474	0.9
59.01252	26.2
61.98709	1.0
69.03321	0.8
69.26432	2.3
69.26855	2.8
71.01257	11.2
73.02814	3.1
76.82684	0.5
83.01268	1.6
85.02827	4.9
87.00759	1.9
89.02313	5.5
95.01277	1.2
97.02827	0.9
97.06464	1.6
99.00751	1.8
99.04342	0.7
101.02316	9.1
101.78556	0.5
111.08055	1.1
113.02341	6.3
113.09633	1.7
115.07549	0.8
119.03380	1.4
125.06006	0.7
125.09572	0.6
132.00798	0.7
138.61847	0.5
139.11176	0.7
141.09149	1.6
143.03384	0.6
161.04475	4.0
165.12724	3.3
167.14346	2.3
173.04430	1.0
179.05458	1.2
181.12294	3.0
193.12270	1.7
195.13815	2.7
211.13396	3.7
221.15381	1.9
229.14432	0.9
240.13551	1.0
241.14374	0.9
247.20641	4.1
253.09258	18.4
254.09634	1.0
263.20139	0.9
273.18503	3.0
281.21237	1.2
291.19669	30.4
292.19995	3.0
309.20703	100.0
310.21048	10.1
323.21753	0.5
341.26907	2.8
395.27988	0.6
485.31192	5.4
486.32220	0.8
503.32141	3.7
545.29535	11.0
546.30078	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	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	0.5
57.03320	3.0
59.01254	18.6
60.17070	0.4
60.29260	0.5
61.98701	2.4
67.72805	0.5
69.03321	1.8
71.01256	11.5
71.04890	2.0
71.23974	0.6
72.99184	0.9
73.02843	2.3
81.03328	0.8
82.47218	0.4
83.01253	1.6
83.04891	2.1
85.02804	3.8
85.06454	1.6
85.24108	0.5
87.00758	1.9
87.04366	1.0
89.02322	8.1
93.03330	1.1
95.01256	1.1
97.02843	1.5
97.06461	0.9
99.00744	0.8
101.02328	11.9
109.06480	1.9
111.04385	1.9
111.08043	4.0
111.54638	0.6
113.02336	5.5
119.03398	2.9
123.04445	0.6
123.08085	0.5
125.02359	0.7
127.07546	0.8
130.63863	0.4
143.03394	1.3
149.04430	0.6
151.11221	0.5
161.04463	5.4
165.12813	0.6
167.10709	0.9
169.12267	1.5
171.10181	1.1
173.04433	1.4
179.05533	2.1
179.10670	0.7
179.14365	1.3
181.12291	1.0
195.13837	11.8
196.14124	1.0
197.09976	1.0
197.11763	15.6
197.13562	0.9
198.12096	1.0
199.13297	0.8
205.12296	0.8
211.13319	2.0
221.15427	6.9
222.15746	0.8
223.13348	4.6
229.08659	0.5
233.15367	1.0
239.16429	1.9
247.20651	1.4
251.16457	0.8
253.09271	40.5
254.09634	2.0
257.11758	0.6
263.20078	1.3
265.18100	0.7
273.18549	2.2
291.19662	32.1
292.20001	3.1
309.20703	100.0
310.21057	11.4
477.94513	0.5
485.31091	0.6
503.32117	0.9
545.30542	2.1
545.31769	2.1
546.30194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
55.78979	0.6
57.03324	1.5
58.00480	1.4
59.01249	28.9
61.98708	1.8
69.03333	2.1
70.49683	1.8
71.01248	13.0
71.01614	0.9
72.99191	0.9
73.02814	3.6
83.01252	2.2
83.04885	1.2
83.16741	0.7
84.02050	0.6
85.02827	4.8
87.00756	1.5
89.02319	11.2
95.01258	1.4
97.02853	1.9
99.00723	1.3
101.02318	13.0
109.06501	0.8
111.07288	1.4
111.08036	19.9
113.02325	6.5
119.03394	3.2
123.08031	0.8
124.81935	0.6
125.02345	1.1
127.07536	1.0
137.09537	0.9
141.09138	0.7
143.03430	1.3
153.09177	1.0
153.12782	1.9
161.04448	6.1
169.12262	7.8
171.10240	0.7
173.04469	1.6
179.05542	2.1
181.12247	1.8
183.13708	0.9
197.11765	97.0
198.12080	4.8
199.13315	5.2
209.11783	0.9
211.13333	10.1
227.12859	3.1
247.16869	0.8
247.20720	1.1
249.14926	0.7
253.09253	51.2
254.09637	2.5
258.32410	0.7
263.20093	4.8
264.20700	0.7
265.18085	2.5
273.18594	1.2
291.19653	30.6
292.20010	2.5
309.20694	100.0
310.21088	11.1
313.63165	0.6
335.07172	0.7
341.26840	1.3
433.20493	0.8
485.31247	2.2
503.32019	1.3
545.32709	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	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03328	2.8
58.00470	1.0
59.01252	16.6
60.01576	0.6
61.98707	1.4
67.01764	0.5
69.03332	1.0
71.01252	9.4
71.32590	0.9
72.99175	0.9
73.02819	1.9
83.01254	1.4
83.04910	0.6
85.02821	2.7
87.00739	1.3
89.02327	8.0
93.03335	0.6
95.01260	1.2
97.02814	1.9
99.04382	1.9
101.02328	10.4
111.08044	9.8
112.08393	0.7
113.02339	5.2
113.09626	0.8
119.03374	1.5
125.02301	0.8
127.07519	0.7
135.30388	0.5
137.09613	0.9
140.63057	0.5
141.09077	1.0
143.03407	1.4
151.11127	0.6
153.12697	0.8
153.99289	0.4
161.04466	4.9
163.11214	1.0
165.12758	2.1
167.10727	0.5
167.14305	0.6
169.12273	3.4
171.10162	1.9
173.04504	0.9
179.05589	1.4
181.12276	2.0
193.12260	0.6
197.11766	48.4
198.12053	3.1
199.13245	2.4
209.11716	0.8
211.13333	6.2
212.40910	0.5
221.11621	0.5
227.12820	2.6
247.20723	2.7
253.09276	36.8
254.09589	1.7
263.20139	2.8
265.18024	1.8
273.03802	0.7
273.18512	1.4
291.19675	31.8
292.19977	4.5
309.20709	100.0
310.21088	11.6
461.68152	0.6
545.29218	4.0
546.30084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.7
57.03338	1.0
59.01249	13.7
67.01760	2.4
69.03326	45.6
69.37383	4.7
69.37811	2.7
71.01252	20.0
72.99180	4.0
73.02816	2.0
78.32856	0.9
79.01778	1.5
81.32624	0.9
83.01250	6.2
85.02824	4.9
87.00745	33.3
87.04436	1.2
93.03332	3.9
95.01265	1.4
97.02838	9.5
98.16888	1.0
98.20497	1.9
99.00761	12.7
101.02327	1.7
109.02841	1.4
111.00758	7.2
112.98717	1.3
113.02338	2.6
115.00255	59.7
116.00598	1.5
119.89353	1.0
127.00259	2.6
129.01860	1.2
135.04398	1.7
137.09593	0.9
139.00282	14.4
141.01852	3.8
145.02824	1.0
155.10718	9.2
157.01334	31.8
158.01691	1.1
161.04448	2.2
173.04453	5.0
175.02400	100.0
176.02718	3.3
185.00841	45.4
186.01192	2.3
187.03905	2.4
191.05548	8.5
199.09731	17.7
231.83745	1.0
243.06679	2.6
253.10835	0.9
263.05627	1.6
267.11292	1.1
271.11758	1.5
279.27835	1.0
280.08484	2.7
295.10925	5.8
297.12506	1.4
304.62292	1.0
325.11990	1.2
327.13519	3.7
353.11566	1.7
361.15054	5.9
371.12436	11.5
372.12704	1.4
373.09177	1.6
391.12918	1.9
397.10437	1.4
399.11975	2.0
401.13614	1.5
429.13004	6.0
435.11893	1.5
443.14404	1.5
467.14548	6.9
485.15735	8.5
487.13831	4.7
547.15967	10.4
548.16467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71862	1.0
55.01758	3.7
59.01246	14.6
67.01765	1.5
69.03328	100.0
69.46499	5.3
69.46924	3.1
70.03673	2.7
71.01257	18.6
72.01582	1.0
72.99183	2.7
73.02824	3.7
79.01756	1.6
83.01264	2.6
84.45391	1.0
85.02839	6.2
87.00758	28.5
93.03340	2.6
95.01258	3.0
97.02837	19.7
99.00764	26.8
101.02343	6.8
101.02917	1.2
111.00762	2.1
113.02338	3.8
115.00261	40.1
116.00471	1.0
123.00755	2.0
127.00225	1.5
131.03401	1.2
135.04395	2.9
137.09607	2.3
139.00269	4.9
141.01848	6.2
155.10686	25.2
157.01329	7.2
161.04478	3.6
173.04468	5.2
175.02406	79.5
176.02731	2.1
179.03333	1.3
185.00842	63.3
186.01239	2.6
191.05469	4.1
192.05923	1.2
199.09705	30.3
200.10059	2.2
241.10776	1.1
259.50909	1.0
271.11816	1.6
295.10983	2.6
325.12228	1.7
349.72903	1.0
361.15085	6.2
371.12207	2.2
385.11752	1.7
467.15042	1.7
485.15369	1.3
547.16632	9.4
548.17145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86319	0.8
55.01751	4.0
59.01253	5.2
60.99171	0.9
67.01759	2.7
67.97721	0.8
69.03327	100.0
69.46976	6.1
70.03654	2.5
71.01256	8.6
72.99174	2.6
73.66514	0.8
79.01765	2.0
83.01247	1.3
85.02822	4.5
87.00757	11.3
87.80122	0.8
92.92376	0.8
93.03326	8.9
95.01268	3.2
97.02255	1.6
97.02827	17.2
98.19846	1.5
99.00757	26.6
101.02317	2.5
109.02828	4.2
111.00784	1.8
111.04385	2.2
113.02337	1.8
115.00264	15.3
121.02866	1.2
123.00762	0.9
129.01677	0.8
131.03450	0.8
132.04623	1.0
135.04401	1.6
137.09618	2.4
139.00267	2.3
141.01839	8.9
143.04968	0.9
145.02858	2.9
146.03470	0.8
155.10693	18.6
157.01332	2.6
159.04402	1.3
160.72398	0.8
161.04434	1.8
173.04503	8.8
175.00981	1.7
175.02408	22.1
175.03874	1.2
179.03354	1.6
185.00838	73.0
186.01265	2.2
187.03963	6.1
191.05547	15.9
199.09683	26.3
200.10114	1.2
203.07330	1.0
206.32277	0.9
219.06482	1.0
242.05779	1.1
243.06564	3.0
248.92563	0.8
253.10654	1.2
263.05637	4.2
295.10886	1.7
303.07269	2.5
355.08325	1.9
361.14996	5.7
373.09140	3.6
385.10898	1.1
547.15961	13.3
548.16113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38165	0.8
55.01757	4.9
59.01241	5.2
60.12524	0.7
67.01761	2.4
69.03326	100.0
70.03663	2.6
70.18681	2.7
71.01255	8.6
72.99182	3.0
73.02823	0.9
79.01769	2.4
83.01244	1.8
85.02830	3.8
87.00749	12.5
93.03335	7.5
95.01289	2.3
97.02826	19.5
98.03176	0.7
98.61859	0.6
99.00758	25.3
101.02334	1.9
109.02830	4.8
111.00756	1.5
111.04398	1.5
113.02324	2.4
115.00259	19.3
121.02836	0.7
123.00758	1.7
127.00253	0.9
127.03912	0.7
129.01840	1.0
135.04425	1.6
136.37250	0.7
137.02365	1.1
137.09610	1.9
139.00262	2.8
141.01842	8.7
145.02869	2.5
146.03575	0.9
155.03430	0.9
155.10689	17.2
155.11993	0.8
156.11024	1.1
157.01366	3.6
159.04404	1.7
161.04436	1.2
173.04482	9.1
174.04918	0.6
175.02405	38.1
176.02655	1.4
179.03445	1.5
185.00841	82.8
186.01118	3.6
187.03882	4.7
191.05531	18.6
192.05850	0.7
199.09691	31.2
200.10037	1.9
219.06575	1.8
233.18594	0.6
242.05847	1.0
243.06654	3.1
255.06619	0.7
263.05533	3.8
295.10989	0.9
303.07138	2.7
355.08255	1.5
361.15097	5.7
371.12524	1.5
373.09146	3.4
385.11581	1.2
397.10184	1.2
429.12781	1.0
485.15469	1.0
547.16083	15.9
548.16217	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	547.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.1
57.03320	1.8
59.01254	13.4
67.01759	1.5
69.03326	100.0
70.03656	2.5
71.01254	21.7
71.52372	0.9
72.99192	4.9
73.02810	3.5
73.23792	0.8
79.01772	1.0
83.01250	2.4
85.02820	5.9
87.00752	31.7
89.02334	1.4
93.03337	3.8
95.01234	3.8
97.02828	23.4
98.03155	1.0
99.00758	27.4
101.02332	6.2
109.02815	1.0
111.00755	2.4
113.02335	4.2
114.39764	1.0
115.00256	46.1
120.85644	0.8
123.00750	1.0
125.02321	1.1
127.00264	0.9
135.04388	2.3
136.08307	0.8
137.09616	2.2
139.00290	4.2
141.01802	5.2
143.03387	1.7
155.03476	0.9
155.10689	22.7
156.10991	1.3
157.01346	7.4
161.04433	4.2
173.04471	5.4
175.02406	84.1
176.02780	2.7
178.44435	0.8
179.03427	1.8
185.00845	66.1
186.01239	2.1
191.05544	5.2
199.09695	34.8
200.10083	1.5
211.65392	0.8
241.10692	1.3
267.11298	1.3
271.11957	3.0
279.07410	1.0
280.08545	1.5
295.10822	2.7
301.12921	0.9
361.15079	7.6
371.12515	2.8
385.11206	1.2
397.10291	1.1
401.13214	1.1
429.12738	1.3
545.05066	1.0
547.16418	10.5
548.16980	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45458	0.6
57.03315	1.8
58.00457	0.6
58.02846	4.0
59.01251	35.4
61.98689	1.9
68.99672	0.8
69.03315	1.9
71.01252	15.3
71.33244	0.8
72.99194	0.9
73.02818	5.1
74.02338	8.5
75.00734	1.3
81.03353	0.8
83.01245	4.8
83.09357	0.6
85.02822	7.8
87.00747	2.8
87.04394	1.0
88.98685	1.0
89.02321	5.1
93.03343	4.6
95.01254	2.3
95.04893	1.1
96.99193	1.3
97.02838	5.6
97.06468	1.3
99.00755	2.2
99.04443	0.7
99.05524	5.4
101.02328	7.0
108.02040	1.2
109.02834	15.3
111.00776	1.0
111.04429	0.9
113.02326	8.3
119.03381	1.4
119.04895	1.4
121.02837	2.8
121.06441	1.3
122.03645	1.7
123.04407	9.3
123.08040	0.9
124.01581	0.7
124.04762	0.8
125.02354	3.8
129.01819	0.6
131.04544	1.8
133.02864	0.9
135.04384	4.3
135.08025	0.7
137.02330	3.0
139.03922	1.7
139.07607	0.6
139.11212	0.8
143.03397	2.7
143.04494	18.8
145.02756	0.9
146.03645	1.1
147.02956	0.8
147.04314	0.8
149.02324	4.4
150.03094	1.5
151.03909	4.8
153.09131	1.0
156.74121	0.8
159.04437	1.2
160.05272	0.7
160.48610	0.6
161.02391	3.1
161.04463	2.9
161.05960	2.8
161.09619	2.0
162.03091	1.4
163.03902	3.8
163.07599	0.6
165.01810	1.4
171.04362	0.8
173.04459	2.5
173.05835	0.7
175.03835	0.8
175.07439	0.8
175.11206	0.7
176.01004	0.9
177.03302	40.3
178.03629	1.3
179.03401	2.2
179.05524	0.7
185.00848	1.1
187.03896	1.7
188.04665	1.7
189.01764	0.9
189.05437	1.1
189.09151	1.1
191.05565	2.1
197.05957	0.7
199.09697	0.7
202.06274	0.8
203.03412	1.3
203.07068	3.8
204.07521	0.7
205.05009	6.5
205.08650	5.5
206.05396	0.7
207.10191	3.7
217.08630	14.8
218.09000	1.0
219.10243	1.7
227.03423	1.2
230.05913	0.8
231.02890	1.0
237.85002	0.7
245.08179	2.5
246.08777	1.8
247.06081	4.5
247.09697	1.0
255.02939	2.2
259.09650	0.8
264.07874	2.4
279.10330	0.8
283.13452	1.7
284.03226	3.2
285.03885	1.4
289.07095	4.9
290.07275	0.8
301.14465	1.0
325.14566	4.8
325.23837	1.0
341.10321	15.6
342.10590	2.3
343.15378	2.0
343.24854	4.0
369.13391	100.0
370.13770	14.0
385.17688	1.1
385.22299	3.6
395.12564	1.0
487.29193	18.5
488.29352	2.5
505.30362	6.1
529.30371	1.0
547.14740	0.9
547.27380	5.6
548.27496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.2
57.03329	2.7
58.02847	3.5
59.01255	15.5
61.98706	1.5
69.03310	1.9
71.01257	8.7
71.52268	1.4
72.99190	1.6
73.02815	7.1
74.02347	8.3
75.00753	1.3
79.47997	0.8
81.03337	1.2
83.01252	4.1
83.04918	1.2
85.02827	11.4
86.98979	1.0
87.00768	2.2
89.01847	0.8
89.02314	5.0
93.03347	3.8
93.07036	0.8
95.04940	1.2
97.02818	6.0
99.00775	1.0
99.05539	4.8
101.02327	3.7
101.05982	2.6
108.02041	1.5
109.02829	13.8
109.06470	0.8
111.00767	1.2
113.02325	2.9
119.04916	1.8
121.02814	3.8
121.06504	1.6
122.03623	2.9
123.04417	16.0
124.01529	1.0
125.02320	4.6
125.05945	0.8
129.01860	1.3
131.03526	1.3
131.04556	1.5
133.02814	0.9
135.04436	4.2
137.02373	3.8
137.09601	1.2
139.03932	1.7
139.11150	1.1
143.03418	1.2
143.04515	18.2
145.02846	2.2
146.03618	1.8
147.02873	1.2
149.02382	4.5
149.04497	1.1
149.05936	0.9
150.03113	1.6
151.00317	1.0
151.03937	7.1
155.10577	1.1
159.04437	2.5
161.02368	2.9
161.04649	1.2
161.05989	3.9
161.09628	1.5
162.03082	0.9
163.03947	2.9
163.07558	1.6
165.01799	2.1
165.09152	1.6
173.04482	3.6
173.09554	0.9
175.07483	0.8
175.11256	0.9
177.03311	40.9
177.05557	1.8
178.06134	0.7
179.03418	0.8
179.10582	1.1
183.13832	2.3
187.03989	1.7
188.04652	2.1
189.01862	1.1
189.09114	0.8
191.01871	3.9
191.05531	3.3
202.02617	1.2
203.07101	4.5
203.08659	0.8
205.05043	8.3
205.06702	1.2
205.08656	5.6
207.10205	3.1
217.08655	15.3
218.08994	1.5
219.10173	1.9
231.02809	1.0
235.07756	1.4
241.05038	0.8
245.08228	3.4
246.08881	1.7
247.06161	4.3
247.09662	2.2
258.01797	1.8
259.09723	1.4
264.07858	1.8
269.04388	1.3
271.02432	1.3
275.20163	2.7
283.13513	2.2
289.07202	10.4
290.07486	1.6
299.02148	1.0
301.14456	0.9
313.07211	2.5
325.14304	4.5
327.18063	5.5
341.10303	8.2
342.10767	1.0
343.15457	12.7
344.15933	2.4
355.21237	1.7
369.13422	100.0
370.13782	15.4
385.22333	12.5
386.22675	1.4
395.13019	1.3
487.29391	1.3
547.14319	8.5
547.27545	8.1
548.14746	0.9
548.29395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03314	3.9
57.12965	1.8
58.00482	1.8
59.01252	100.0
60.01590	1.6
61.98709	10.2
69.03288	3.6
71.01254	33.2
71.01630	2.5
71.01846	2.7
71.02184	1.5
71.04909	1.7
72.99175	4.6
73.02823	9.9
75.00748	2.0
83.01260	6.2
85.02827	17.0
87.00751	6.8
89.02312	11.8
90.02677	2.3
93.03337	5.7
95.01283	3.5
97.02842	3.6
99.00764	4.6
101.02312	18.8
101.05962	2.6
106.04125	3.1
111.00774	2.1
112.01539	2.5
113.02339	17.3
114.54574	1.5
115.00265	1.8
119.03399	4.6
121.02849	2.9
121.06470	4.3
123.85138	2.0
125.02360	4.8
143.03375	2.7
144.96492	1.4
149.05914	1.8
149.76022	1.7
155.10677	3.5
161.04477	3.8
167.03340	2.8
173.04492	3.2
177.09094	9.4
191.10677	3.4
255.02946	5.8
283.02457	9.3
284.03107	4.0
298.04803	7.5
299.05606	13.6
299.16498	77.4
300.16895	9.4
328.02078	2.0
339.09756	2.0
385.22266	2.1
430.09537	1.7
443.20724	69.1
444.21213	9.0
461.21771	61.3
462.22159	8.9
487.33160	13.0
503.11877	3.8
503.22772	24.9
504.22931	3.5
505.33276	5.9
533.95074	1.8
547.31250	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	547.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03321	5.1
58.00467	2.1
59.01252	84.9
61.98705	1.9
65.07595	0.8
67.01765	0.8
69.03325	3.5
69.53175	5.8
71.01254	26.4
71.04897	1.7
72.99191	2.1
73.02813	13.3
74.02338	4.8
75.00734	0.8
83.01272	4.0
83.04903	1.1
85.02831	13.3
87.00764	4.7
87.04392	2.3
89.02322	11.0
93.03328	2.6
95.01279	4.4
97.02831	2.5
97.06470	1.6
98.19750	1.4
99.00787	3.1
101.02323	18.2
101.05987	1.0
107.12392	0.8
109.02835	1.3
109.06500	1.3
111.00768	1.9
111.08065	4.6
113.02325	14.8
113.05940	0.9
115.03942	1.1
116.04967	1.5
119.03388	3.7
119.04937	1.3
122.03623	1.1
123.04398	1.7
123.08060	2.2
125.02340	2.7
127.11206	7.4
129.01776	1.4
133.02826	0.9
135.04410	1.3
137.02336	0.9
137.09622	9.6
139.11163	5.7
143.03416	4.1
143.04825	0.9
149.09671	1.6
151.11310	1.1
155.10707	8.7
156.11009	1.0
159.02831	1.2
161.02345	1.1
161.04468	5.6
161.05647	1.1
163.03813	1.3
165.09167	1.3
167.10699	5.5
168.11452	1.7
169.12239	0.8
184.11044	2.5
185.00842	1.2
191.05592	1.2
195.13789	0.8
199.09720	1.9
203.08202	3.2
213.14793	1.0
216.09979	1.0
220.04723	0.9
264.07800	1.2
277.21637	1.4
279.23431	1.9
280.23813	0.9
295.22763	2.7
307.22787	1.7
323.22321	8.0
324.22763	0.8
324.87149	0.8
325.23969	2.0
341.10303	11.2
341.23282	23.2
342.10562	1.2
342.23572	2.3
343.15518	6.0
343.24829	9.8
344.25284	1.5
367.17078	0.8
367.21213	16.5
367.25452	1.5
368.21802	1.2
369.13245	1.8
385.17749	8.9
385.22278	100.0
386.17859	1.5
386.22614	11.9
425.19778	0.9
427.23337	6.6
469.27960	2.3
487.29178	34.2
488.29428	5.3
492.28873	1.0
505.22479	1.4
505.30151	16.9
506.30548	3.1
547.27527	18.8
548.28827	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	547.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.1
58.02855	5.0
59.01255	18.0
61.98703	0.9
69.03313	2.1
71.01259	10.2
71.52906	1.0
72.10366	0.8
72.99149	0.9
73.02816	10.4
74.02349	10.3
75.00729	1.7
83.00821	0.8
83.01261	5.4
85.02826	10.1
87.00768	1.8
87.04389	1.4
89.02320	7.5
93.03336	3.4
95.01228	1.5
95.04938	1.1
97.02827	6.2
97.06484	1.0
99.00780	0.9
99.04420	1.6
99.05509	6.1
101.02318	5.2
101.05969	3.2
108.02055	2.0
109.02142	1.4
109.02841	17.5
111.04444	1.3
113.02345	3.9
119.03385	1.9
119.04906	3.4
121.02824	3.2
121.06465	1.8
122.03644	4.1
123.04424	18.7
123.08044	0.9
125.02349	4.5
125.05972	1.3
129.01797	1.3
133.06561	0.9
134.78561	0.7
135.04395	2.8
137.02348	4.1
137.09622	1.4
139.03931	2.6
139.11145	1.5
143.03473	1.2
143.04527	19.4
144.04913	1.5
146.03580	1.3
147.02884	1.0
149.02357	5.0
149.05936	1.1
150.03085	2.3
151.00269	1.1
151.03931	8.6
151.85165	0.7
153.09001	1.1
155.10655	1.3
159.04405	2.0
159.08109	0.8
161.02373	4.6
161.06015	3.6
161.09639	2.1
162.03107	2.1
163.03937	2.6
163.07570	1.4
163.11110	0.9
165.01913	1.2
165.09195	1.2
167.03349	0.9
168.11069	0.7
169.12146	1.0
173.04483	3.3
174.03227	0.8
175.04010	1.4
175.07558	1.4
176.00974	1.0
177.03325	40.5
177.05582	1.6
178.03571	1.0
179.05469	0.8
179.10710	2.0
183.13811	2.7
185.00890	0.9
187.03929	1.2
188.04710	1.8
189.05473	1.6
191.01855	1.5
191.05521	3.8
197.76509	0.8
202.02750	1.4
203.03380	1.3
203.07104	6.6
205.05031	7.2
205.08647	5.2
207.10176	4.1
209.15422	1.6
213.05539	1.0
217.08655	17.5
219.10208	1.9
223.13403	1.0
225.05463	1.0
227.03519	0.8
230.05678	0.9
231.02936	1.4
245.08173	3.5
247.06210	4.6
247.09656	2.2
255.06805	1.0
259.09830	1.3
263.07217	1.0
264.07922	2.1
269.04565	3.5
275.20129	3.5
281.08279	0.9
283.13226	1.2
289.07230	11.4
290.07620	1.0
299.14841	1.1
300.02698	1.0
313.07205	2.7
323.09192	1.0
325.14481	5.2
326.15009	1.0
327.18091	8.2
328.18497	1.0
341.10272	9.4
342.10730	1.6
343.11536	1.7
343.15503	16.2
344.15942	2.2
355.21350	3.0
369.13431	100.0
370.13748	16.8
379.21481	1.2
385.22327	18.2
386.22714	2.0
547.14136	7.8
547.27936	4.6
548.15070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52143	0.6
55.01750	1.9
56.23188	0.5
57.03330	2.0
58.00473	1.3
59.01250	100.0
59.17269	0.6
60.01586	0.9
61.98699	1.6
68.42397	0.5
69.03313	0.7
71.01254	35.6
71.04887	0.7
72.01602	0.6
72.99189	2.5
73.02821	10.8
75.00743	0.7
75.49813	0.5
78.95795	1.1
83.01265	4.9
85.02823	12.3
85.99969	0.6
87.00750	3.5
87.04418	1.6
89.02309	12.2
89.02834	0.8
90.02728	0.6
93.03351	1.4
95.01270	3.4
97.02853	1.8
99.00751	3.2
101.02320	23.1
111.00739	2.8
113.02325	18.3
113.03054	1.2
119.03388	5.4
124.01572	0.7
125.02282	2.7
129.79556	0.6
137.02342	0.7
143.03426	2.6
149.04526	0.9
159.02940	2.5
161.04471	11.9
162.04767	0.8
173.04457	3.4
179.05586	1.8
211.13396	0.8
223.32486	0.5
230.65326	0.5
234.69273	0.6
237.22247	1.1
253.09361	2.1
253.21683	0.8
267.23291	1.3
279.23499	0.6
283.23306	0.5
291.19666	1.3
292.20233	1.3
293.20602	1.3
309.20801	3.2
309.24011	0.7
310.20984	2.8
311.21744	6.3
325.27661	1.8
330.80252	0.6
343.28497	7.7
344.29111	0.9
385.29419	0.7
451.30792	0.8
469.31937	1.1
487.32764	42.9
488.33148	7.0
505.33826	29.1
506.34155	4.6
547.29950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66483	0.2
55.01751	0.9
56.29055	0.2
57.03324	1.8
58.00484	0.5
59.01251	100.0
60.01580	1.4
60.68722	0.2
61.98714	0.4
63.53485	0.2
67.86847	0.2
69.03346	0.6
71.01253	17.5
71.04887	0.2
72.01600	0.3
72.99193	0.8
73.02818	4.4
75.00724	0.2
83.01251	2.3
85.02825	10.7
85.99973	0.2
86.03167	0.2
87.00771	1.3
89.02316	3.6
91.25627	0.2
95.01266	2.0
97.02838	1.2
98.19798	1.0
99.00757	2.1
101.02322	8.6
104.95881	0.2
111.00771	0.8
113.02335	11.0
114.02660	0.4
115.03891	0.3
119.03405	0.8
124.01567	0.4
125.02341	1.0
129.01865	0.3
143.03427	2.3
144.03738	0.2
159.02892	1.0
159.87158	0.2
160.68901	0.2
161.03200	0.4
161.04459	5.2
162.09506	0.2
173.04504	0.3
191.01750	0.2
197.15353	0.5
213.18457	0.3
230.49496	0.2
246.36855	0.2
279.23285	0.4
295.26382	0.3
297.24231	1.4
309.24341	0.2
325.27374	0.6
342.41739	0.3
343.15350	0.3
343.24609	0.4
343.28519	4.3
344.28867	0.5
357.22653	0.4
375.23880	0.5
413.29153	0.4
451.30750	0.3
457.31757	0.3
487.32776	31.9
488.33063	5.9
505.33826	21.1
506.34210	3.5
547.34760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	6-Hydroxyluteolin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.59738	2.6
59.01255	24.6
67.27581	2.6
69.86309	6.9
69.86699	7.4
71.01247	11.7
73.02799	4.0
85.02836	13.9
89.02318	7.6
101.02303	3.5
104.52245	2.8
109.02820	5.3
109.99964	10.3
111.00772	6.0
113.02306	4.0
119.03406	2.7
123.00774	5.5
136.98688	5.9
137.02319	4.4
137.99490	3.8
139.00279	14.3
151.00320	14.1
155.10616	2.8
163.00299	4.5
165.98969	21.7
166.99745	8.1
169.01318	2.9
178.99788	7.6
191.01949	4.6
199.09709	4.1
211.03995	3.1
227.03351	4.0
239.03412	4.2
243.02913	7.7
255.02957	31.4
256.03650	5.1
257.04526	5.7
260.03009	2.8
269.11880	3.2
271.02466	41.4
272.03027	11.5
283.02505	9.0
285.04041	6.7
300.02744	100.0
301.03485	98.3
302.03821	8.6
327.12534	3.5
345.13370	10.2
357.09637	4.0
387.23929	5.5
463.08673	4.6
505.09848	93.8
506.10190	12.9
549.29156	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.86983	0.9
62.87798	1.0
75.03639	1.1
87.38511	0.9
98.20589	3.9
107.01294	1.7
111.44222	1.0
123.39735	1.1
151.00310	8.7
163.00262	2.1
178.99774	6.5
227.03421	1.7
243.02939	7.9
254.02177	2.7
255.02963	20.1
256.03381	2.0
258.49265	1.0
271.02475	38.2
272.02960	5.1
273.03955	1.2
299.01923	1.3
300.02753	100.0
301.03467	50.3
301.06458	0.9
302.03806	2.8
463.08755	2.9
471.46375	1.0
505.09872	61.4
506.10184	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79457	1.4
58.18732	1.4
59.01260	9.6
64.81982	1.5
68.46566	1.3
69.35484	1.4
71.01241	5.3
71.40450	2.3
73.02789	1.5
85.02823	2.2
89.02309	4.3
91.45168	1.3
97.62682	1.3
101.02309	4.3
107.01243	3.4
108.02008	1.5
109.02857	2.7
113.02315	2.4
119.58266	1.4
121.02825	4.1
123.04411	2.8
133.82935	1.4
136.03889	1.9
151.00269	11.9
161.74121	1.3
163.00172	3.3
169.01421	1.8
169.08498	1.9
178.99738	5.0
209.76163	1.4
211.03967	1.5
243.03065	8.5
245.04584	1.6
255.02946	24.3
256.03271	2.2
271.02487	50.9
272.02933	3.9
272.11722	1.4
273.03979	2.1
299.01947	1.8
300.02747	100.0
301.03458	57.6
302.03763	4.3
345.13306	11.7
357.22675	1.6
379.89847	1.6
385.47861	1.6
417.78210	1.5
445.07739	2.9
455.51132	1.7
463.08932	2.5
505.09894	66.4
506.10065	10.3
509.98029	1.5
549.28888	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	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32085	0.2
59.01240	0.3
59.69061	0.2
69.59039	0.2
70.26720	0.8
77.03848	1.7
90.39263	0.2
93.03316	0.2
99.85062	0.2
116.58286	0.2
117.21578	0.2
121.02845	100.0
122.03178	3.6
122.63127	0.2
137.02351	0.3
147.04390	0.3
153.03134	0.2
165.01845	52.8
166.02196	2.4
180.05705	0.6
181.06508	3.1
197.05980	2.7
199.07516	0.3
207.04420	0.6
207.08046	0.4
223.04077	0.3
225.05565	1.2
257.09698	0.5
285.09418	0.2
300.02771	0.2
313.07144	1.1
357.06232	0.8
373.10690	0.3
383.07730	0.7
417.09775	2.2
461.12546	0.3
505.11374	1.9
506.11923	0.4
549.10382	23.8
550.10742	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	549.1252
Annotation	Syringetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.23455	0.7
55.01785	0.9
57.03331	3.5
58.00494	1.0
58.07008	0.6
59.00984	1.6
59.01249	23.8
61.98746	1.1
65.00240	1.2
65.09991	0.6
69.03371	1.9
70.00328	0.7
71.00897	0.9
71.01253	17.1
71.52109	0.9
72.99232	1.6
73.02821	4.6
75.71104	0.6
83.01328	2.9
85.02824	8.4
86.03227	0.6
87.00753	3.5
87.04462	1.5
89.01822	1.7
89.02314	9.3
93.03390	1.7
93.40591	0.8
95.01313	1.5
97.02882	1.6
97.06519	1.5
99.00774	1.8
99.04453	1.2
101.02326	10.7
107.01329	1.1
108.02128	1.6
109.02861	4.6
109.06581	0.9
110.00063	2.2
111.00797	1.5
111.04483	1.4
113.02343	5.9
119.03475	3.2
121.02904	1.5
121.10139	0.7
123.04433	1.4
123.08123	1.3
125.02422	2.1
125.06032	0.7
127.11300	0.9
129.01950	0.9
131.03447	1.1
135.04430	3.6
137.02397	1.0
137.09682	2.1
137.99573	0.8
139.00354	2.6
139.03969	1.7
143.04947	0.8
145.02902	1.1
149.02351	5.8
149.06116	0.9
149.09717	0.9
149.99559	1.2
151.00296	4.7
151.03964	1.1
151.07536	0.7
152.38025	0.7
153.09198	2.1
155.10689	4.4
159.04414	1.3
159.10292	1.0
161.02371	1.1
161.04491	0.9
161.06035	0.9
163.03972	1.2
164.98260	3.3
165.99017	4.5
167.03470	0.9
167.10715	1.4
169.12306	1.5
170.03737	1.4
171.04451	1.7
172.01683	1.9
173.02464	0.8
173.04524	3.2
175.00343	2.8
175.03951	0.8
175.07805	0.8
177.99026	1.9
178.99869	2.4
179.03406	0.8
185.02437	1.2
187.04034	2.5
189.01938	2.3
191.02011	0.9
191.03786	0.9
191.05533	3.7
198.03212	1.5
199.04013	2.6
199.09802	1.5
201.01888	1.3
202.02722	2.9
203.03447	1.4
205.01477	1.3
213.01898	1.1
214.02678	2.1
215.03532	3.1
215.12878	1.2
217.01454	1.2
219.10460	0.7
226.02686	0.9
227.03542	0.7
229.01535	1.5
229.10838	1.1
230.02168	5.0
231.02896	3.7
241.01479	2.1
242.02158	4.4
243.02919	8.8
244.03445	1.0
245.00876	1.2
255.03003	5.7
256.03445	0.8
257.00964	1.1
258.01706	13.1
259.02460	7.0
269.00952	2.1
270.01797	2.4
271.02487	15.0
272.03009	2.0
273.04156	2.6
283.02527	1.6
285.00516	1.9
285.04099	5.2
286.01196	16.4
286.04114	0.6
287.01984	55.6
288.02344	4.1
299.02063	1.4
300.02728	22.0
301.03510	16.8
302.04044	2.8
312.99869	1.1
314.00684	17.1
315.01468	54.4
316.01776	3.9
327.12411	4.4
329.03015	42.9
330.03784	69.0
331.04178	6.6
343.24835	1.3
344.01535	1.0
344.05362	10.9
345.06134	100.0
346.06436	10.5
357.10565	1.1
357.22443	1.1
369.09610	1.6
369.22733	1.4
387.18030	3.7
387.23819	10.3
389.25763	1.0
489.10071	1.9
489.27325	0.8
505.09869	14.4
506.10095	2.6
519.27515	1.4
531.28271	1.1
534.10040	5.6
548.27582	1.0
549.12323	36.4
549.29132	74.9
550.12738	7.0
550.29706	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	549.1926
Annotation	Raocyclamide A
Peak:m/z	Relative Intensity
71.01213	2.8
71.51897	2.2
78.95773	66.2
91.45073	1.8
97.02614	2.1
98.99512	2.0
99.92453	18.4
110.98407	11.9
115.91969	16.0
116.92738	12.5
118.59687	2.1
163.89134	1.9
164.99512	4.5
165.02119	2.0
167.01068	4.3
178.88376	7.1
179.89105	23.2
180.90024	10.8
181.90593	2.0
193.90689	35.7
194.91544	18.9
195.29921	2.1
196.89410	82.4
197.89479	3.4
210.91026	12.3
221.97087	2.0
248.92502	3.6
249.93410	2.8
250.94196	2.6
252.92041	4.1
266.93616	4.4
267.94482	3.8
281.24924	4.4
290.34262	2.1
501.17636	2.7
524.98016	2.2
531.18268	4.5
545.40900	2.4
549.19257	100.0
550.19678	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	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
55.37115	0.8
57.03342	2.0
57.77723	1.0
59.01252	100.0
60.01595	2.0
61.98704	3.2
69.03326	1.1
69.38480	6.5
71.01258	18.0
72.99197	2.3
73.02818	7.7
76.23302	0.8
79.17889	0.8
82.97779	0.7
83.01271	2.7
85.02821	11.7
87.00746	5.8
87.04429	1.0
89.02315	5.4
95.01259	1.9
97.02831	2.8
99.00760	4.5
101.02326	11.4
102.02673	1.1
104.19835	0.8
108.02071	1.0
109.02872	2.3
111.00786	1.6
111.59337	0.9
113.02341	9.5
119.03385	1.3
123.04447	2.2
125.02361	2.2
125.05939	0.9
129.01822	1.0
131.03368	1.2
141.05452	1.3
143.03447	1.4
151.03908	0.9
159.02907	0.9
161.04514	4.9
173.04514	1.2
271.02448	1.5
293.23166	0.9
300.02777	2.4
301.03421	1.7
315.18301	1.3
348.17194	1.0
356.81857	0.8
387.18359	2.0
387.23456	1.4
429.21265	16.6
430.21637	1.3
447.22318	21.2
448.22577	1.8
471.27927	1.5
473.12619	1.0
489.23477	1.6
489.30966	1.2
505.09882	2.7
544.31268	0.9
549.33575	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03316	0.9
59.01251	100.0
60.01584	1.0
61.98711	2.1
69.66113	2.8
71.01253	6.9
71.37593	0.5
72.99213	0.7
73.02834	2.7
75.00777	0.5
83.01271	1.5
83.04896	0.7
85.02826	4.8
87.00747	6.0
87.33179	0.6
89.02332	2.4
93.03365	0.7
95.01222	0.6
99.00761	2.7
101.02328	4.0
109.02850	1.2
113.02328	6.1
119.03397	0.6
119.92362	0.5
123.04443	1.8
125.02380	1.7
125.06003	1.5
131.03448	0.9
132.87274	0.5
137.02356	0.6
139.07576	0.7
141.05553	1.4
143.03419	1.6
153.05511	0.6
161.04517	2.4
169.05000	1.3
173.04417	0.8
233.06635	0.7
271.02664	1.4
300.02756	1.0
301.03479	1.0
315.18323	1.2
343.08316	1.8
363.10104	0.6
411.20264	0.6
429.21259	20.2
430.21484	2.7
447.22372	11.7
448.23108	1.4
463.25583	1.4
489.23596	3.4
489.29910	0.6
490.31339	0.6
505.09863	1.0
549.29053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50595	0.2
54.52403	0.2
55.01758	1.2
57.03325	2.4
58.00470	0.5
59.01252	100.0
60.01587	1.5
61.98706	0.4
68.99688	0.2
69.03339	0.8
69.59061	1.2
71.01256	18.4
71.04900	0.4
72.01591	0.4
72.99191	0.9
73.02817	4.6
75.00752	0.4
81.03313	0.3
83.01262	3.0
83.01718	0.2
85.02824	10.1
85.99986	0.5
86.03201	0.4
87.00754	1.5
89.02317	3.0
89.02834	0.2
91.72164	0.2
93.03374	0.2
95.01260	2.8
97.02816	1.3
97.06525	0.2
99.00764	2.2
101.02326	10.7
102.02667	0.4
111.00787	1.6
112.01588	0.4
113.02332	9.9
114.02670	0.5
115.03915	0.8
119.03409	0.8
120.60359	0.2
124.01557	0.6
125.02345	1.7
129.01906	0.3
136.52548	0.2
141.01907	0.2
141.12798	0.3
143.03407	3.5
153.12825	0.2
155.10712	0.3
159.02873	1.0
161.04469	2.8
171.13828	1.3
179.05502	0.2
209.19048	0.8
253.66437	0.2
255.03070	0.3
271.02512	0.5
279.23306	0.4
281.24857	0.2
299.25925	1.8
300.02756	0.9
301.03461	0.5
327.29205	0.5
338.74304	0.2
343.28580	0.5
345.30090	7.8
346.30688	0.9
387.31180	0.5
401.32645	0.2
404.43433	0.2
415.30676	0.2
441.32465	0.9
442.32690	0.2
453.32187	0.3
459.33154	0.6
487.32697	0.2
489.34326	42.9
490.34680	7.3
505.10159	0.4
507.35367	28.2
508.35687	5.0
549.36859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
55.88850	0.2
57.03328	1.8
58.00470	0.3
59.01250	100.0
60.01589	1.3
61.98716	0.2
67.01778	0.2
68.99689	0.2
69.03336	0.5
71.01253	16.7
72.01615	0.3
72.99189	0.7
73.02818	4.2
75.00766	0.4
83.01266	3.1
84.02055	0.2
85.02823	9.6
85.99979	0.5
86.03153	0.2
87.00744	1.0
89.02315	3.1
93.03328	0.1
95.01257	2.0
97.02822	0.7
99.00745	2.2
101.02323	8.5
102.02699	0.2
111.00748	0.9
111.08033	0.2
112.01554	0.5
113.02328	10.2
114.02699	0.2
115.03912	0.2
119.03395	0.7
124.01533	0.4
125.02347	1.1
127.11178	0.4
129.01860	0.2
137.09599	0.1
142.02588	0.1
143.03403	1.6
155.10640	0.2
159.02916	0.9
159.53610	0.1
161.04466	3.7
171.13831	0.6
173.04469	0.3
179.05547	0.2
189.89554	0.1
271.02505	0.3
279.23090	0.2
283.22699	0.2
299.25897	2.0
300.02753	0.4
300.26419	0.2
301.03604	0.2
327.29099	0.2
343.28448	0.2
345.25900	0.2
345.30087	4.2
346.30420	0.4
387.31158	0.2
415.30719	0.4
441.32193	0.3
453.32700	0.2
459.33423	0.4
489.34311	37.8
490.34671	6.0
505.10355	0.2
507.35355	18.4
508.35706	3.0
549.36920	1.1
550.36255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.3
57.03323	2.5
58.00470	0.9
59.01252	100.0
60.01573	1.4
61.98730	0.5
67.49650	0.3
67.51468	0.3
69.03323	0.8
70.44264	1.0
71.01255	35.2
72.01601	0.5
72.99184	1.2
73.02819	9.3
75.00731	0.6
83.01261	4.9
85.02824	13.9
85.99987	0.4
86.03139	0.3
87.00757	2.9
87.04406	0.8
89.02316	10.5
95.01254	2.5
97.02846	1.5
99.00761	3.4
101.02323	18.8
102.02672	0.5
111.00777	3.5
112.01571	0.3
113.02333	16.8
114.02656	0.4
115.07479	0.3
119.03400	3.5
119.04888	0.6
124.01572	0.6
125.02363	1.9
127.07544	0.5
129.01787	0.6
131.03383	0.7
141.01859	0.7
142.02644	0.3
143.03412	2.8
159.02933	1.1
161.04466	7.0
163.03896	0.5
179.05508	0.9
185.64740	0.3
211.20587	0.5
239.20105	1.1
253.21722	1.0
265.21771	0.5
271.02484	0.6
272.34937	0.3
281.24951	0.8
283.22791	1.4
285.24301	1.0
297.24051	0.5
299.25891	0.6
300.02832	1.2
325.23706	0.5
327.29031	0.6
329.27054	2.2
343.28421	0.9
345.13403	0.6
345.30087	10.1
346.30365	1.1
367.98373	0.3
369.30106	0.4
387.31158	0.4
441.31879	0.4
453.32117	0.5
459.33051	0.4
471.32947	0.6
489.34320	60.4
490.34653	10.9
505.09937	0.6
507.35367	42.0
508.35718	6.8
549.36505	4.2
550.37549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
57.03332	1.4
58.00488	0.4
59.01250	100.0
60.01593	1.2
61.98715	1.1
69.03320	0.6
69.73817	0.3
70.22832	1.1
71.01253	18.6
72.01605	0.3
72.99192	0.9
73.02813	3.8
77.89725	0.2
83.01262	2.2
85.02825	8.1
86.03152	0.3
87.00765	1.2
87.04399	0.4
89.02316	6.2
95.01263	2.3
97.02844	0.8
98.19849	0.3
99.00739	1.6
101.02320	9.0
111.00787	0.4
113.02327	14.3
114.02670	0.4
119.03393	2.5
125.02351	0.9
143.03415	2.0
155.10753	0.3
158.22652	0.3
159.02945	0.5
161.04460	6.5
173.04547	0.3
179.05624	1.0
211.20734	0.4
230.87578	0.3
239.20190	0.7
243.03082	0.4
253.21649	0.7
255.03117	0.8
271.02640	1.0
283.22928	0.5
285.25037	0.3
300.02673	1.5
301.03473	0.7
327.29327	0.4
329.27164	0.9
330.25552	0.3
343.28729	1.0
345.30084	7.8
346.30545	1.1
360.09296	0.3
471.33505	0.5
489.34311	28.3
490.34760	5.4
498.49408	0.3
505.10229	0.9
507.35339	14.0
508.35730	1.7
549.28546	0.4
549.36902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60619	0.4
55.01765	0.7
57.03323	2.5
57.03556	0.4
58.00463	1.0
59.01252	100.0
60.01587	1.2
61.98714	1.6
68.94200	0.3
69.03334	0.8
70.06792	1.2
71.01255	25.3
72.99197	1.3
73.02820	6.5
81.29153	0.4
82.09102	0.3
83.01255	3.4
85.02827	10.8
85.99983	0.3
87.00755	1.8
89.02322	10.0
93.69207	0.4
95.01257	2.6
97.02832	0.6
99.00759	1.7
100.34805	0.3
101.02322	11.8
109.02843	0.5
113.02332	19.4
114.02697	0.7
119.03382	3.4
125.02355	1.5
142.27567	0.3
143.03401	2.5
159.02940	0.8
161.04474	7.1
179.05573	0.7
191.32008	0.4
223.20653	2.3
225.18590	0.6
239.20152	0.5
255.03026	0.5
269.68228	0.4
271.02579	1.3
271.23090	0.5
298.42740	0.4
300.02866	1.4
301.03503	1.0
327.29080	0.9
345.30084	12.3
346.30573	1.3
486.22446	0.4
489.34348	29.2
490.34607	5.2
505.10431	1.0
507.35373	17.1
508.35632	2.4
533.26605	0.5
549.36804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12059	4.3
57.03321	9.6
59.01245	18.8
65.00176	6.0
69.65661	11.0
69.66087	20.8
71.01244	17.9
85.02854	11.3
89.02283	11.8
93.03327	10.3
98.20545	7.6
101.02303	7.9
107.01243	4.6
109.02843	11.0
113.02267	8.7
121.02856	5.6
123.04418	8.0
125.02338	100.0
134.03642	22.5
135.04443	9.3
137.02345	11.0
149.02354	23.3
149.05992	7.9
150.03111	24.2
151.00282	26.6
151.03900	8.2
153.01799	22.5
165.05493	22.1
167.03285	4.8
173.04460	12.8
175.02513	5.5
175.03954	16.0
177.01788	20.6
178.02611	12.6
178.99791	21.5
181.01399	11.8
181.05017	4.5
189.05540	6.0
191.05534	9.6
193.04988	38.5
195.06517	11.9
241.05029	5.5
259.06226	6.7
275.05597	20.5
285.04050	48.2
299.05551	8.3
303.05051	72.0
304.05551	5.2
341.10355	8.8
385.07852	8.6
389.12238	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1773
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
59.01249	8.2
61.98691	1.2
69.86554	6.0
71.01257	6.8
73.02803	1.3
83.01271	1.5
85.02818	3.1
89.02307	3.5
93.03337	4.5
98.19855	1.9
101.02322	3.7
103.21418	1.1
108.67342	1.1
109.02811	1.5
111.00768	1.3
113.02315	3.6
119.03432	1.6
119.04850	1.3
121.02826	8.5
122.03652	5.1
123.04400	9.6
124.01519	1.4
125.02325	1.5
132.02057	1.6
132.36369	1.3
133.02866	5.6
134.03630	84.2
135.04488	8.3
136.01559	2.9
137.02342	10.7
139.03929	5.9
147.04362	2.0
149.02350	18.5
149.04849	2.1
149.05977	24.7
150.03128	46.1
151.03915	27.1
152.04138	1.2
160.01514	2.4
160.02869	1.0
164.04716	3.2
165.01837	1.5
165.05475	44.7
166.05855	2.7
173.04422	2.4
175.03937	5.3
176.04700	4.9
177.01762	1.5
178.02631	47.0
179.03038	2.4
180.04192	3.5
181.04999	12.9
191.05482	3.1
191.07025	4.3
192.04211	2.9
193.04990	100.0
194.05388	6.1
195.06544	13.3
196.06908	1.3
205.30861	1.1
207.06496	1.3
220.03546	1.2
234.09398	1.3
235.06047	14.9
267.06580	2.6
282.08936	8.1
297.11313	3.2
298.08380	2.0
341.10236	17.1
342.10541	2.8
354.48730	1.5
355.12051	1.3
383.11288	2.8
389.12384	74.6
389.20541	2.8
390.12854	7.5
431.13519	3.2
551.18176	13.9
551.26227	2.9
552.18042	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	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01601	1.3
61.98709	1.2
69.03324	0.4
69.17950	2.6
69.18378	1.3
71.01270	1.5
74.15395	0.3
78.95802	0.5
85.02852	0.9
87.00752	0.4
89.02336	0.5
93.03336	0.7
97.02798	0.4
98.20624	0.7
101.02352	0.9
113.02335	0.8
115.79157	0.4
119.04948	0.9
121.02850	7.0
123.04443	0.4
125.02372	0.4
151.03923	0.6
160.50175	0.4
163.03934	0.7
173.04547	1.2
179.03459	0.6
179.56822	0.4
188.43948	0.4
240.04237	0.4
272.10547	3.7
273.11011	0.5
287.12946	8.7
288.13275	0.9
389.42227	0.4
406.46588	0.4
490.35077	0.5
491.35068	0.6
494.06354	0.5
530.68732	0.4
551.27386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09382	0.3
54.10291	0.3
59.01254	100.0
60.01590	1.5
61.01682	0.4
61.98716	0.8
69.55791	0.3
70.64923	1.0
71.01251	1.9
72.99197	0.3
73.02812	0.7
83.01308	0.5
85.02864	1.1
87.00771	0.3
89.02300	0.4
93.03365	1.1
96.95868	0.4
101.02338	0.8
113.02356	0.5
119.04932	0.4
121.02844	15.7
122.03160	0.5
123.08070	1.0
173.04562	0.4
257.08273	1.3
272.10547	16.5
273.10846	1.6
277.57846	0.4
287.12909	19.1
288.13281	1.9
329.17807	0.3
347.18622	1.9
490.34787	1.0
491.35034	0.8
508.35770	0.6
509.36563	0.5
551.29114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03336	0.9
58.00467	3.7
59.01251	74.9
60.01580	1.7
61.98690	1.3
67.01779	0.5
69.03329	8.0
71.01253	82.7
71.53187	0.4
71.53576	0.4
72.01595	1.7
72.39407	0.4
72.99181	4.4
73.02815	11.4
75.00746	5.2
81.03328	4.6
83.01260	5.1
83.04885	0.6
85.02823	9.6
86.03128	0.7
87.00748	2.9
89.02316	100.0
90.02663	1.7
90.98863	0.4
93.03349	1.6
95.01283	3.2
97.02827	13.4
99.00755	18.1
99.03826	0.4
99.04400	2.0
100.01044	0.5
101.02325	16.8
102.02678	0.4
107.01257	0.6
108.02053	1.1
109.02811	0.8
111.00773	2.2
111.04265	0.4
113.02325	11.5
115.00201	0.5
115.03895	8.6
119.03390	2.2
119.04885	0.4
121.02877	2.8
125.02335	51.2
126.02689	1.8
127.03882	1.7
131.03391	12.1
135.04405	1.0
143.03409	4.6
149.04460	17.8
151.03917	0.6
155.03438	0.5
155.10635	1.1
161.04491	3.0
173.04439	1.7
175.05978	0.5
191.05533	11.3
199.07922	0.3
199.09628	1.9
211.07571	0.9
215.05545	0.9
226.06270	0.8
227.07042	1.0
233.06619	45.0
234.06952	2.3
241.08678	3.1
242.09378	3.9
243.09790	0.6
249.53343	0.4
251.13824	0.4
257.11804	14.6
258.12180	1.9
268.88095	0.4
291.24243	0.4
293.08777	41.3
294.09180	2.8
347.18350	0.5
401.25220	0.6
449.23190	0.4
490.34363	2.1
491.35162	2.0
507.27856	1.1
508.35184	1.0
509.35703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62528	0.7
55.01744	1.9
57.03326	2.2
58.00475	1.0
59.01254	100.0
60.01583	1.1
61.98701	2.0
67.21729	0.7
69.03331	1.8
71.00861	1.0
71.01257	20.4
72.99187	1.7
73.02812	6.6
81.03349	0.8
83.01260	4.1
85.02815	8.2
87.00779	1.7
89.02316	11.2
93.03352	1.1
95.01266	1.8
97.02844	1.8
99.00764	3.5
101.02325	16.5
102.33335	0.7
108.02093	0.9
109.02819	1.2
111.00771	1.3
112.03948	0.9
113.02328	6.9
119.03390	2.7
123.04432	0.7
125.02367	2.2
129.01846	0.7
131.03401	1.5
135.04399	2.1
137.02383	0.9
140.07019	0.9
143.03387	1.2
145.52000	0.7
148.35347	0.7
148.80540	0.7
149.04500	3.2
153.12776	3.0
155.10687	2.9
161.04515	2.6
173.04457	1.8
173.11777	1.0
179.03404	1.6
179.10721	0.9
183.13794	1.0
184.06105	8.2
185.00778	1.6
191.05530	2.0
197.11783	1.5
199.09761	2.1
219.49199	0.7
242.05829	10.7
243.06258	1.6
243.10312	1.4
251.99059	0.9
257.08173	9.4
293.08813	2.2
329.23566	1.4
353.08701	0.9
385.11288	1.7
389.25235	2.4
405.24783	2.3
429.24982	0.8
447.25961	2.0
465.27029	1.2
489.26962	5.1
491.31790	2.4
507.28094	98.1
508.28506	15.4
521.29517	1.0
533.29590	1.1
551.17554	2.0
551.30487	11.4
552.30853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38286	0.4
59.01254	15.4
70.81673	0.9
71.01253	3.5
73.02802	1.3
78.95788	0.9
85.02818	1.4
87.00751	0.6
89.02324	2.7
96.73207	0.4
101.02332	3.3
104.79362	0.4
113.02306	1.1
152.99500	1.6
161.04420	1.2
197.02127	0.7
235.08255	2.4
253.09265	12.5
254.09734	0.5
255.23273	100.0
256.23630	9.3
279.23303	1.8
338.77380	0.5
431.12726	0.5
541.85016	0.5
551.30023	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60448	0.4
58.93951	0.4
59.01250	14.0
70.42879	1.0
70.43203	0.5
71.01250	2.3
78.82512	0.5
85.02843	0.6
87.00751	0.5
89.02319	2.0
101.02335	2.5
113.02314	1.3
119.03391	1.0
161.04495	1.0
186.68080	0.5
233.86880	0.5
235.08197	1.6
238.37315	0.5
247.72093	0.5
253.09261	11.1
255.23274	100.0
256.23627	10.9
265.74750	0.5
315.19229	0.5
358.16196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68611	0.3
53.44513	0.3
53.49519	0.3
57.60558	0.3
59.01243	0.7
60.96895	0.3
65.72651	0.3
69.35069	2.2
71.01224	0.4
78.95780	6.5
83.04906	0.3
85.01236	0.3
98.19801	0.5
127.07538	0.3
152.99440	0.9
168.04211	2.0
224.06816	1.4
233.22684	0.6
242.07942	2.5
259.20764	0.5
274.88623	0.3
275.20197	0.5
277.21722	100.0
278.22064	10.1
502.29407	31.4
503.29724	5.5
526.77905	0.3
526.85327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	7.8
60.21085	0.6
61.98685	0.6
70.64591	1.4
70.64936	1.0
78.95778	30.6
116.93173	0.6
122.98461	0.6
151.82497	0.6
152.99503	3.6
168.04242	3.8
180.45503	0.6
200.27817	0.6
224.06892	9.7
230.61336	0.6
242.07916	3.5
253.21716	41.8
254.22015	3.2
277.21729	100.0
278.22073	9.2
428.31488	0.6
478.29422	12.1
479.29758	1.6
502.29410	69.7
503.29688	12.6
525.92944	0.6
553.18756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07747	0.6
57.15172	0.5
58.09508	0.5
59.00954	0.9
59.01251	16.7
71.51943	0.8
76.58217	0.5
78.95782	10.7
80.38592	0.4
140.94870	0.4
152.99466	1.9
168.04280	2.5
197.36433	0.5
210.44218	0.6
224.06920	3.6
242.08025	3.0
253.21707	100.0
254.22081	7.6
277.21719	27.3
278.22061	2.3
375.91095	0.6
426.40070	0.6
458.02484	0.6
478.29361	28.2
479.29712	4.7
502.29407	23.2
503.29874	4.7
514.59625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03321	2.6
58.00467	1.0
59.01252	18.4
61.98692	1.9
67.01743	1.0
68.99673	1.0
69.03326	1.6
71.01254	18.2
72.99194	5.9
73.02825	3.3
75.00745	14.0
80.14114	0.6
80.18950	0.6
80.96440	0.6
83.01286	1.2
85.02822	16.2
87.00755	7.9
89.02325	2.7
95.01284	3.7
97.02807	0.9
97.17075	0.7
99.00758	11.9
101.02304	1.9
103.00267	1.9
109.06440	0.9
110.29732	0.7
111.00732	1.4
113.02341	18.4
114.02719	1.0
115.00265	2.1
117.01850	2.0
121.02848	83.7
122.03207	2.3
125.02336	1.0
129.01826	1.7
135.04398	0.8
135.08057	2.8
137.02348	0.9
137.09613	9.2
152.01073	1.0
155.10684	41.2
156.11076	1.5
157.01317	2.0
171.21730	0.6
175.02452	3.3
175.03812	0.7
179.03369	0.8
181.08640	2.5
193.03477	1.2
199.09703	9.8
231.05133	1.3
243.06505	1.5
255.12479	3.9
349.20316	1.8
353.08801	2.3
369.15521	1.3
377.16183	3.7
423.87314	0.7
431.15613	5.5
449.06958	1.4
477.06241	2.2
491.19467	2.2
492.08533	1.4
507.11340	1.1
535.18329	4.7
553.19397	100.0
554.19702	16.7
554.28162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47784	0.6
55.01755	1.1
57.03332	3.0
57.37305	0.5
59.01250	38.0
61.98701	3.9
68.99673	0.8
69.03333	3.6
69.41460	1.4
69.41864	3.1
71.01252	20.1
72.96519	0.6
72.99191	4.5
73.02818	5.6
75.00742	11.9
78.03365	0.8
83.01271	1.5
84.02035	0.6
85.02818	19.7
86.03107	0.7
87.00760	7.3
88.98675	0.7
89.02312	4.1
93.03333	0.8
94.02875	0.8
95.01270	5.5
95.86642	0.6
97.02828	1.2
99.00755	11.7
99.04417	1.5
101.02334	4.0
103.00262	1.8
110.71796	0.6
111.00764	1.2
113.02330	17.3
115.00259	2.4
117.01839	2.3
119.03389	0.7
122.02366	95.0
123.02710	3.2
125.02366	0.8
129.01859	2.0
135.04495	0.8
135.08076	1.3
137.09616	5.7
139.00233	0.9
145.87314	0.6
149.04436	0.8
155.10684	36.9
156.11053	1.8
157.01282	3.0
158.19997	0.6
161.04454	1.6
173.04500	1.8
175.02362	4.3
181.08627	2.1
185.00902	2.8
191.05544	0.9
193.03470	3.1
193.05040	1.0
199.09695	12.2
200.10173	1.1
211.16013	0.6
218.49097	0.6
272.44421	0.6
333.20715	3.1
349.20346	0.9
350.20328	1.0
354.08313	2.3
369.15564	0.7
378.15543	2.7
387.16644	0.8
413.14902	0.9
431.15530	13.1
432.16019	1.5
492.18518	0.9
495.26096	7.7
536.17700	3.2
554.18762	100.0
555.19165	18.2
555.27954	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
61.98695	0.5
67.60306	0.3
69.34450	0.3
69.34775	2.2
78.95778	6.8
129.62512	0.3
152.99484	1.1
168.04227	1.4
224.06851	0.9
242.07961	2.5
261.22333	0.4
279.23285	100.0
280.21317	0.2
280.23627	10.7
504.30984	30.5
505.31314	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	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.8
61.98700	1.7
70.72719	1.0
70.73096	0.8
78.95777	25.6
80.96397	0.7
109.56128	0.5
110.98434	0.6
118.35484	0.4
126.74063	0.4
152.99471	4.4
168.04233	4.4
204.37155	0.5
224.06870	9.0
225.07245	0.6
242.07939	1.6
255.06618	0.8
279.23279	100.0
280.23608	10.9
336.91583	0.5
504.30957	70.1
505.23608	0.6
505.31271	11.9
555.27295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51946	0.2
59.01253	21.5
61.69401	0.2
61.98699	0.2
65.08231	0.2
69.78599	0.2
71.52302	0.2
73.96674	0.2
75.07863	0.2
78.95779	19.2
96.96852	0.3
97.43046	0.2
122.98396	0.4
134.98401	0.2
144.60136	0.2
152.99506	2.3
168.04228	2.8
217.91533	0.2
224.06897	7.9
225.07341	0.2
237.22279	0.2
242.07980	1.6
255.23274	100.0
256.23611	10.1
259.63156	0.2
480.30957	54.3
481.31247	8.9
554.27008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.9
61.98692	0.8
78.95778	4.9
79.57695	0.5
98.19670	1.0
160.72569	0.5
168.04225	0.9
224.06900	0.8
229.60146	0.8
242.08008	2.4
255.23271	100.0
256.23624	10.3
258.04105	0.4
322.29907	0.4
386.97321	0.5
394.24860	0.5
480.30933	27.9
481.31250	5.3
554.26825	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2812
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
51.86319	0.6
55.01748	1.5
55.30641	0.7
57.03331	1.8
58.00439	0.7
59.01251	54.3
61.98701	1.0
69.03326	4.0
69.52831	4.8
71.01253	22.6
71.04890	1.9
72.99178	1.4
73.02817	9.1
83.01253	3.9
83.04888	2.0
85.02824	10.7
87.00755	1.2
89.02315	11.2
95.01260	2.8
96.95866	1.2
97.06452	1.2
98.20475	1.2
99.00745	3.1
99.04385	3.0
101.02319	16.1
107.04896	1.3
107.52547	0.7
109.06476	1.4
112.25542	0.7
113.02332	12.9
117.16458	0.7
119.03398	4.0
125.02359	0.9
131.03455	1.1
131.98146	0.7
137.09607	0.7
139.00174	0.6
151.00206	0.7
151.11282	0.7
161.04483	2.1
173.04407	0.9
179.05444	1.1
183.10115	1.0
185.00882	1.2
191.14354	3.5
203.01962	0.9
243.17450	1.4
255.17540	1.4
259.20514	3.4
261.22192	2.2
271.20709	4.1
277.21716	1.3
289.21710	9.3
290.22330	1.0
307.22760	1.3
310.26553	0.6
315.19617	2.8
333.20667	9.1
334.21051	1.2
348.37973	0.6
351.21790	6.3
477.24792	4.3
479.22824	0.7
495.25989	43.2
496.26221	8.3
513.27020	11.5
514.27582	1.8
537.26855	4.3
555.28064	100.0
556.10571	1.0
556.28381	16.8
562.86053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2809
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
51.43171	0.4
52.96853	0.3
55.01756	0.7
56.16011	0.4
57.03333	0.9
58.00494	0.6
59.01251	100.0
60.01584	1.1
61.98711	1.0
69.03331	0.5
71.01257	9.8
72.99202	0.6
73.02824	2.3
75.00743	0.5
83.01248	1.2
85.02826	4.5
87.00786	0.7
89.02322	4.7
89.84106	0.4
92.64186	0.4
95.01266	0.8
97.02844	0.8
98.20548	1.2
99.00790	0.5
99.04406	2.0
101.02323	7.2
112.00672	0.4
113.02340	4.1
119.03398	2.3
121.06474	1.7
123.08080	0.5
125.02409	0.5
132.76373	0.4
143.03517	0.5
151.07570	0.5
159.02971	0.7
161.04518	2.7
161.87054	0.4
173.04414	0.7
175.49294	0.4
191.05557	0.5
203.14380	0.8
229.15974	1.3
257.00116	0.4
271.20667	17.5
272.21002	2.4
289.21423	0.7
315.19662	10.3
315.23285	0.6
316.19989	1.2
319.19171	1.1
333.20743	1.6
351.21780	5.4
352.22217	0.5
495.26007	53.6
496.26355	11.3
555.28070	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	555.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03325	1.7
57.96216	0.5
58.00467	0.8
59.01251	100.0
60.01587	1.1
61.98417	0.7
61.98705	6.7
69.03326	3.3
69.50209	3.1
71.01256	21.8
71.04880	3.1
72.99192	1.9
73.02817	8.2
75.00752	1.1
83.01257	3.0
83.04908	1.0
84.51855	0.4
85.02827	10.1
85.03298	0.8
85.06464	1.1
87.00758	1.9
89.02317	11.8
93.03336	1.0
95.01279	1.5
96.95901	0.5
97.02829	1.2
97.06494	0.8
98.19873	0.8
99.00750	2.1
99.04394	2.1
101.02322	14.8
107.04904	0.5
109.02856	0.8
111.00742	0.6
111.08047	0.7
113.02332	12.4
113.03073	0.8
113.79308	0.5
119.03400	5.5
119.25599	0.4
122.02375	0.5
122.06065	0.5
123.04437	0.8
125.02357	2.0
126.79040	0.4
131.03477	0.5
135.04411	0.9
137.02333	0.6
141.01830	0.6
143.03433	2.3
146.40903	0.4
148.52440	0.5
149.02425	0.5
149.04408	0.8
152.07069	0.9
155.10690	0.7
159.02939	0.7
161.02342	0.6
161.04475	5.5
168.06578	0.4
173.04507	1.4
179.03441	0.8
179.05522	2.3
185.00850	1.3
189.12773	6.2
190.13135	0.6
191.05540	1.0
191.14246	0.8
203.14240	0.5
233.15442	0.5
259.20700	1.5
271.20752	0.8
277.21774	0.7
286.49380	0.4
289.21811	6.1
290.22098	0.7
294.09799	0.6
307.22815	7.0
308.23154	0.5
314.79916	0.5
333.20691	1.3
351.21768	1.0
395.13666	0.5
469.28119	1.0
479.05936	0.5
495.25928	6.9
496.26352	1.2
513.26898	2.7
514.27673	0.5
523.18933	0.7
537.26923	0.8
555.28076	58.3
556.28467	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	555.2809
Annotation	Tricalysioside I
Peak:m/z	Relative Intensity
55.01759	0.6
57.03318	1.4
59.01253	100.0
60.01578	1.1
61.71825	0.5
61.98708	12.0
69.03318	2.6
71.01252	13.4
71.04906	0.6
71.53256	0.6
72.99189	0.8
73.02824	5.5
75.00763	1.0
76.13786	0.4
78.67173	0.5
83.01264	2.4
83.04909	0.6
85.02827	5.0
87.00773	0.8
89.02321	3.9
93.03355	0.6
95.01260	0.8
97.02832	1.1
99.00761	2.2
99.04393	4.3
101.02330	8.4
105.01847	1.5
109.02844	0.8
109.06537	0.9
113.02335	6.8
119.03407	1.4
123.04440	0.9
125.02365	0.9
125.05951	0.6
135.04443	0.6
137.09691	0.6
143.03439	0.9
145.04283	0.5
159.02972	0.9
161.04463	7.4
164.67746	0.5
173.04509	0.5
179.05533	0.9
185.00836	1.7
191.05490	0.7
259.20663	1.2
271.20740	1.9
289.21680	2.9
298.11990	0.5
315.19690	1.8
333.20697	17.8
334.21133	2.5
351.21707	4.9
389.83817	0.5
461.10403	0.5
495.25983	12.4
495.32941	0.8
496.26285	2.1
513.27087	1.0
555.28229	12.3
556.28442	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
57.03294	0.3
59.01240	0.6
61.45729	0.4
63.96120	0.7
65.46413	0.3
69.03307	0.6
71.00395	0.8
71.01253	6.0
73.02818	1.3
78.98462	5.0
79.95602	8.7
80.96389	60.0
81.03330	0.6
83.01237	0.4
85.02834	2.7
87.00751	2.3
94.97962	13.9
96.95895	0.7
97.02817	1.2
100.21847	0.4
100.23152	0.4
101.02336	2.3
106.97971	2.5
122.97479	4.6
125.02332	2.9
127.03941	0.7
134.97473	3.5
136.99046	0.9
148.99037	5.5
152.98535	6.8
161.76454	0.3
161.77786	0.4
164.98535	10.5
166.63550	0.4
167.00067	0.5
182.99625	1.6
206.99640	2.1
225.00693	15.1
226.01019	0.5
243.01758	1.7
246.55273	0.3
255.23277	3.0
256.23843	0.3
276.44980	0.4
299.04361	2.5
317.05402	0.4
332.51190	0.4
384.47186	0.3
391.16379	0.4
470.36826	0.3
472.30106	0.3
487.60498	0.4
555.28412	100.0
556.28766	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
63.96107	1.1
69.03350	0.4
70.90798	0.7
70.91123	0.5
71.01254	6.4
73.02826	1.9
78.98473	6.0
79.95169	0.8
79.95609	8.6
80.96391	60.7
81.03317	0.8
83.01233	0.4
85.02822	2.4
87.00734	2.5
94.97959	14.3
96.95877	1.2
97.02826	1.5
99.00766	0.6
101.02324	2.2
106.97962	3.4
122.97462	2.9
125.02348	2.8
127.03904	0.6
134.97479	4.6
136.99031	1.4
140.48785	0.4
145.67255	0.4
146.97443	0.5
148.99049	6.1
152.98538	5.5
164.98557	11.2
166.99992	0.5
188.98593	0.7
190.43753	0.3
206.99684	2.1
208.53252	0.4
225.00681	15.6
226.00977	0.8
232.72302	0.5
255.23329	2.2
289.19803	0.4
299.04425	3.2
555.28400	100.0
556.28723	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
60.01601	0.1
61.63848	0.1
61.98703	100.0
62.90376	0.1
62.98393	0.3
71.32322	0.1
78.92962	0.1
78.95767	0.7
79.79598	0.1
80.96217	0.1
87.71475	0.1
96.21213	0.1
113.90677	0.1
115.01937	0.1
131.15204	0.1
152.99533	0.3
193.77974	0.1
224.06906	0.1
255.23279	2.0
256.23624	1.3
257.23917	0.8
258.24280	0.5
264.70267	0.1
280.24295	0.1
480.31097	1.0
481.31238	0.5
482.31909	0.3
483.31772	1.5
557.33136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88880	7.2
67.02497	8.9
69.03320	26.3
71.01243	18.4
71.51205	7.9
71.51576	13.7
72.99147	11.5
83.42982	8.1
85.02834	20.3
87.00744	8.3
93.03322	21.5
97.02825	18.9
111.27350	9.4
125.02344	100.0
127.54543	8.3
135.04433	19.2
169.01317	48.2
173.04478	65.0
179.03427	25.4
187.02397	45.7
188.04582	8.3
191.05571	23.3
197.17624	8.6
203.56567	8.1
205.03496	54.2
227.56686	10.3
233.93219	7.8
248.17734	8.7
250.56134	8.3
274.85361	8.8
333.62360	8.2
353.08716	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67859	6.9
65.97942	6.9
71.52240	9.1
72.99184	37.5
81.06943	8.0
83.29340	6.7
94.41314	8.5
98.76186	6.7
99.07999	13.4
113.06026	9.3
115.07532	99.2
117.98683	6.8
129.05481	54.2
135.04382	17.9
143.07022	24.9
159.06555	8.0
171.20583	7.2
179.03401	16.6
191.05501	22.6
205.07101	100.0
208.28999	7.5
224.45813	8.6
353.08762	21.4
425.62326	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	559.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80907	9.4
64.02558	9.4
64.05038	9.1
68.80908	10.5
71.06093	18.7
71.06419	12.1
72.99171	26.5
115.07543	82.8
129.05457	49.0
138.29387	9.8
143.07037	11.4
179.03346	11.2
191.05536	20.2
205.07117	100.0
215.83980	10.5
251.39201	11.3
268.75983	10.3
353.08823	12.2
440.34064	10.5
573.05560	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	12.1
59.01252	2.3
69.03333	1.7
69.71030	1.9
69.71449	4.9
71.01260	1.1
78.69701	1.1
81.03326	4.6
83.01271	6.8
93.03335	5.8
95.01274	2.6
95.04887	4.5
97.02831	8.2
98.19888	1.6
99.04348	1.2
107.04916	1.5
108.02049	1.4
109.02837	27.8
119.04878	1.8
120.02080	1.4
121.02862	5.3
122.03629	2.4
123.04410	23.4
124.01541	1.7
125.02334	87.8
126.02653	3.9
128.12115	1.1
133.02846	4.3
135.04399	3.9
137.02348	33.9
139.03877	3.8
145.02791	1.5
146.03584	2.0
149.02325	7.5
150.03084	2.0
151.03897	12.2
155.10631	1.6
159.04439	3.4
160.05193	1.5
161.02324	6.0
161.05969	6.0
162.03139	2.2
163.00281	4.0
163.03897	4.3
164.01057	20.2
165.01843	10.0
167.03474	1.9
173.04422	2.9
173.05928	1.9
175.03906	7.1
175.07568	2.8
176.01082	1.8
177.01822	8.4
177.05489	1.8
179.03430	6.8
185.05965	2.7
187.03937	6.8
188.04639	3.4
189.05307	1.8
202.06290	2.0
203.03453	2.6
203.07089	15.2
204.07442	1.1
205.01357	7.8
205.05002	9.1
212.04738	1.5
217.05057	1.4
221.08150	3.0
227.07054	2.7
229.05054	2.8
229.08524	1.3
245.08189	15.4
246.08423	1.7
247.06100	2.1
252.78453	1.1
253.05156	1.3
255.03004	2.7
271.06152	17.2
273.07666	10.4
281.04626	2.2
283.06067	1.5
289.07175	100.0
290.07480	9.8
297.04202	1.6
328.05682	2.3
329.06595	5.1
407.07742	18.1
408.07675	1.8
409.09024	3.4
425.08569	3.1
435.10938	13.6
436.11182	2.5
514.98578	1.1
543.12848	2.5
561.13831	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	561.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	15.1
65.03838	0.6
69.03314	1.2
71.19647	1.0
71.84463	0.6
76.35944	0.7
79.33417	0.5
81.03322	3.5
83.01263	6.0
90.18975	0.7
93.03344	5.3
94.03623	0.6
95.01258	1.4
95.04907	4.8
97.02836	11.5
99.04355	0.6
105.03351	1.0
107.04898	2.3
108.02070	1.9
109.02839	30.7
110.03188	1.0
111.04482	0.6
117.03301	1.0
119.04884	1.5
120.02068	1.4
121.02828	6.1
122.03649	2.8
123.00771	1.0
123.04412	23.4
124.01572	1.1
125.02335	100.0
126.02681	3.5
131.04865	0.6
133.02864	7.3
134.03632	1.1
135.04437	4.8
137.02345	28.1
138.02986	1.2
139.03934	6.1
143.04977	0.7
145.02838	2.0
146.03543	1.5
147.04410	1.8
149.02344	8.9
150.03027	1.7
151.03920	13.0
157.06491	1.3
158.03677	0.8
159.04451	4.7
160.05145	1.6
161.02356	10.0
161.05963	7.5
162.03110	2.8
163.00279	8.9
163.03889	4.1
164.01065	26.2
165.01851	10.3
166.02513	1.8
167.03416	3.0
173.05965	1.9
174.03104	1.2
175.02516	0.8
175.03938	8.6
175.07549	2.6
176.01022	2.3
177.01862	13.8
177.05473	1.7
178.02538	1.4
179.03423	7.3
184.05106	0.6
184.42732	0.6
185.06061	3.2
187.03960	8.5
187.07535	2.3
188.04698	5.0
189.01886	0.8
189.05455	2.7
191.03395	1.2
199.03877	0.8
199.07697	1.5
201.05528	2.5
202.06293	3.2
203.03419	1.8
203.07077	16.6
204.07388	1.0
205.01363	15.0
205.04994	10.7
205.08795	1.5
206.01801	0.9
212.04730	1.1
213.05408	1.0
215.03375	1.2
217.05043	1.8
217.08670	0.7
219.03015	0.9
221.08156	3.2
227.03520	1.6
227.07028	3.9
228.04327	1.3
229.05016	2.3
229.08626	2.2
230.05716	1.1
231.03000	1.6
231.06491	1.0
243.02931	1.4
245.04419	1.5
245.08168	19.6
246.08485	2.3
247.06047	1.8
253.05074	2.5
255.02983	3.9
255.06676	1.3
256.03665	2.6
257.04379	1.1
266.59592	0.8
269.04523	1.4
271.06125	16.2
272.06512	2.1
273.04456	1.1
273.07687	17.9
273.10605	0.9
274.07956	1.3
281.04657	1.7
283.06012	3.3
285.04355	1.1
285.07562	2.0
289.07178	99.5
290.07550	9.2
295.06024	0.7
312.06329	1.9
313.07172	0.7
328.05954	5.0
329.06638	9.7
339.08813	2.9
341.06705	1.1
381.09622	2.4
391.11911	1.2
407.07681	24.2
408.07883	4.6
409.09338	1.7
410.09738	0.6
425.08804	2.4
435.10849	25.6
436.11200	5.2
525.12238	0.7
543.12756	4.7
544.13843	1.0
561.13953	8.3
562.14154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41583	0.9
57.03323	14.4
59.01255	7.2
67.01745	1.2
69.03343	1.8
71.01232	4.7
71.52220	1.1
73.02821	2.6
81.03349	2.8
83.01254	6.2
85.02843	1.6
86.08093	1.0
87.00764	1.7
88.98680	10.1
93.03349	5.3
95.01284	1.6
95.04922	4.6
97.02836	9.2
101.02322	2.9
105.16426	0.9
107.04902	2.0
108.02059	2.3
109.02840	29.2
113.02354	2.0
113.92289	0.9
115.00248	1.4
121.02873	5.5
122.03659	1.5
123.04414	19.6
123.39735	1.0
125.02339	98.7
126.02678	3.2
133.02859	5.5
133.06468	1.1
135.04416	4.0
137.02350	29.2
138.02818	2.1
139.03918	4.1
143.04929	1.6
145.02814	1.6
146.03568	1.0
147.04379	1.4
149.02336	6.9
151.03928	13.0
154.02623	1.1
155.10739	2.1
159.04448	4.4
160.05133	1.4
161.02367	5.2
161.05975	7.0
162.03122	2.3
163.00325	4.6
163.03915	4.8
164.01067	21.1
165.01828	9.7
167.03427	2.8
173.04454	4.2
173.05939	1.9
175.02467	2.3
175.03960	5.7
175.07475	1.7
177.01837	8.0
177.05446	1.6
179.03439	6.5
183.04398	1.2
185.05980	3.0
187.03947	8.7
187.07571	0.9
188.04692	4.9
191.05609	2.6
193.05032	1.0
201.05411	2.2
202.06319	1.7
203.03409	2.0
203.07095	12.5
204.07463	1.5
205.01338	7.2
205.05045	9.8
219.03027	1.1
221.08138	1.9
225.05597	1.4
227.07098	3.3
228.04271	1.7
229.05054	2.4
229.08513	1.3
243.03061	1.6
245.08191	14.0
246.08690	1.4
246.48985	1.0
247.06102	2.2
253.05058	1.9
255.03001	2.1
256.03702	1.2
269.08218	1.1
271.06140	18.1
273.04596	1.9
273.07718	9.8
274.07980	1.3
283.06189	2.4
289.07178	100.0
290.07492	10.2
297.07776	1.0
324.51630	1.0
328.05859	1.5
329.06726	6.0
330.06854	1.0
339.08740	1.7
363.08810	1.1
381.09775	1.4
407.07718	20.6
408.07999	3.3
409.08939	1.7
410.10129	1.3
425.08820	3.8
435.10840	15.9
436.11343	1.7
543.12848	3.7
561.13824	6.7
574.64056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91657	1.2
57.03323	21.0
65.48583	1.1
69.03310	1.7
69.90070	3.6
69.90482	2.1
71.74674	1.0
72.76064	1.1
79.77106	0.9
81.03337	5.1
83.01270	10.5
89.56332	1.1
93.03330	7.2
95.01276	2.1
95.04898	6.9
97.02831	19.2
98.20514	1.3
105.03343	1.3
107.04869	2.3
108.02053	2.5
109.02838	41.6
110.03161	2.1
120.02042	1.9
120.32754	1.0
121.02857	8.3
122.03629	3.0
123.04407	37.4
124.04752	1.4
125.02338	100.0
126.02679	2.9
131.04889	1.9
133.02864	8.4
134.03636	1.7
135.04425	6.9
137.02341	33.8
138.03072	1.9
139.03906	9.1
143.04880	1.6
145.02866	2.0
146.03586	3.3
147.04451	2.6
148.01563	1.2
149.02353	12.2
149.05995	2.1
150.03140	1.9
151.03906	18.2
157.06505	2.2
158.03639	1.6
159.04442	5.5
160.05162	1.9
161.02356	9.4
161.05991	13.1
162.03116	3.7
163.00267	10.0
163.03935	6.0
164.01073	31.8
165.01816	11.2
166.02451	1.6
167.03488	2.2
173.05940	1.9
175.03928	10.5
175.07559	3.2
176.00972	2.2
177.01846	16.1
177.05400	2.0
178.02498	2.2
179.03432	6.7
185.05983	3.5
187.03987	10.0
187.07542	2.3
188.04672	7.1
189.05461	2.8
192.40144	1.0
201.05530	3.3
202.06325	2.7
203.03278	1.6
203.07089	19.2
205.01360	13.2
205.04999	12.3
205.08640	1.0
206.01714	1.5
212.04718	1.3
213.05487	1.5
215.03329	1.4
215.07115	1.2
217.04951	1.5
217.08553	1.1
221.08043	4.7
227.03297	1.1
227.07060	3.5
228.04268	2.3
229.04951	3.1
231.02893	2.1
231.06531	1.4
243.02989	1.6
245.04370	1.2
245.08163	15.9
246.08527	1.3
247.06044	1.4
253.05246	2.2
255.02924	4.8
256.03647	3.5
257.04416	1.9
269.04614	1.6
271.06104	17.4
273.07678	18.8
274.08047	2.8
281.04547	2.6
283.06039	1.9
285.04199	1.9
285.07770	1.2
289.07169	97.4
290.07535	10.6
297.06891	1.1
328.05991	4.9
329.06540	9.0
339.08856	2.1
381.09808	1.8
407.07724	23.5
408.08072	3.5
409.09442	1.7
417.10162	1.6
425.08755	2.4
435.10825	24.9
436.11148	4.1
464.04007	1.0
525.11108	1.2
543.12604	4.8
561.14130	7.2
562.14697	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.6
57.03318	3.3
58.00475	1.8
59.01253	100.0
60.01593	1.9
61.98716	2.6
64.50362	0.5
69.03330	1.8
69.33825	3.2
71.01256	25.8
71.04864	0.8
72.01601	0.6
72.99187	1.7
73.02821	10.3
75.00761	1.0
79.05408	1.3
81.03359	1.1
83.01260	4.6
84.79043	0.4
85.02827	12.4
85.06464	0.5
87.00755	3.1
87.04401	1.0
88.98711	0.5
89.02319	11.3
90.02718	0.5
93.03347	1.4
95.01276	2.8
95.04906	0.9
97.02845	1.8
97.06473	1.2
99.00754	2.6
99.04401	0.7
101.02326	16.2
102.02689	0.6
103.03909	0.6
104.04971	1.1
106.06518	2.1
108.08068	2.6
109.02864	1.5
109.06518	1.3
111.00780	1.3
111.04404	0.4
113.02338	13.0
113.59155	0.4
114.02714	0.6
115.03946	0.5
119.03411	3.0
121.02827	1.1
122.03690	0.5
123.04392	0.6
124.01556	0.5
125.02361	3.8
129.01917	0.6
131.03419	0.8
134.06023	0.6
135.04434	2.0
137.02344	2.6
137.09595	0.7
139.03888	0.5
143.03432	3.1
143.04500	0.9
148.03963	7.4
149.04393	0.8
151.03949	1.0
152.07082	1.6
155.03481	0.5
155.10721	1.6
159.02916	0.7
160.03996	3.3
161.02464	0.7
161.04597	8.7
161.05998	0.9
162.05559	0.8
164.01151	0.6
165.01849	0.5
166.08618	0.8
167.03430	0.6
169.12305	0.8
171.10234	2.0
172.63235	0.5
173.04530	1.7
177.01910	0.6
179.03407	0.8
179.05682	0.9
181.12303	0.7
183.13953	0.8
185.00867	0.8
189.02039	0.5
191.05556	1.3
192.03009	0.5
193.03654	2.8
197.11804	2.3
199.09758	0.8
199.13353	0.6
209.11749	1.0
211.13278	1.3
227.16571	0.8
238.06497	0.6
242.12006	0.7
253.09183	3.9
267.11465	1.1
269.12952	10.5
270.13187	0.9
289.07162	2.1
295.10892	11.0
295.13995	0.8
296.11313	0.8
300.03159	0.5
303.23138	0.5
306.07745	1.0
307.19064	1.1
313.11987	7.5
314.12491	0.8
321.24414	2.0
325.20178	6.3
339.16333	0.7
339.25540	1.7
355.13211	1.6
357.16916	2.3
357.26486	3.1
407.07523	0.5
443.26535	0.5
457.24435	0.8
457.74664	1.5
458.25787	0.5
465.28656	1.3
475.17200	0.6
483.29623	4.3
500.29739	0.6
501.23047	1.2
501.30688	18.1
502.31229	1.5
505.25476	0.5
517.18274	16.0
518.18488	2.8
518.30280	0.7
519.23352	0.9
519.31683	10.2
525.30585	1.0
530.27008	0.5
530.77844	0.9
531.27386	0.6
560.31396	1.5
561.17719	0.8
561.33075	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03316	1.4
58.00478	1.7
59.01252	100.0
60.01581	1.6
61.98687	2.4
62.94229	0.8
68.03098	0.8
69.03332	2.8
69.29139	1.8
69.29548	6.8
71.01257	44.4
71.85442	0.8
72.01618	1.5
72.99174	2.3
73.02819	53.7
74.03154	0.9
75.00763	1.2
75.47695	0.7
75.99003	0.9
83.01268	15.5
85.02828	8.8
87.00768	4.9
87.04382	1.1
88.98679	1.0
89.02324	10.8
91.61361	0.9
93.03345	1.1
95.01268	1.2
96.95885	3.0
99.00763	1.5
101.02324	52.9
102.60434	1.0
108.02065	4.9
113.02327	16.6
114.62607	0.9
115.00278	3.5
119.03379	6.2
123.04419	6.3
123.22166	0.8
125.02328	4.4
131.03416	5.2
135.04517	1.2
136.01581	4.7
137.02394	1.0
139.00267	1.0
143.03439	4.8
149.04497	7.6
151.03918	8.6
155.03423	2.0
159.04520	0.9
160.05145	1.1
161.04448	16.8
161.05687	1.6
173.04453	1.8
175.02380	7.1
187.03920	1.9
188.04654	2.0
191.05582	3.4
203.05464	1.8
203.07101	7.3
221.06480	2.4
237.67349	1.1
251.06912	1.1
261.05582	1.6
263.07257	1.4
279.06534	4.4
289.07080	1.8
291.06656	1.5
294.09003	3.7
299.02066	1.4
300.02646	1.4
306.08890	1.9
309.07971	1.7
309.11276	10.5
310.11609	1.5
321.11301	1.6
339.12396	9.4
340.12964	1.0
357.13373	5.0
366.11102	1.0
381.13461	3.6
539.73627	1.1
543.19196	1.2
556.64545	1.0
561.29395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03318	1.4
58.00475	1.0
59.01252	100.0
60.01593	1.4
61.98704	2.4
64.91387	0.5
64.93165	0.5
67.01766	0.9
69.03328	1.5
71.01256	40.1
71.04872	0.8
71.52429	0.7
71.52819	0.6
72.01606	0.7
72.99193	1.7
73.02820	27.4
75.00745	1.2
76.44563	0.4
81.03350	0.6
83.01260	10.5
83.04898	0.8
85.02828	6.6
87.00761	3.3
89.02322	5.4
93.03326	0.9
95.01270	1.5
95.04899	0.8
96.28527	0.5
96.95918	0.6
97.02850	1.3
99.00782	2.3
99.04407	0.8
101.02324	26.7
102.02673	0.8
105.07022	0.5
109.02851	1.0
111.00778	1.0
113.02338	10.8
114.02679	0.7
119.03412	2.7
119.04921	0.9
125.02360	2.0
131.03410	1.6
133.02808	0.5
135.04431	2.2
137.02357	1.1
141.07074	0.6
143.03400	3.3
143.04927	1.1
145.02849	0.6
147.04475	0.7
149.04431	1.1
151.03929	2.8
155.03468	0.6
155.08607	0.5
155.10703	2.3
156.11099	0.5
161.02440	0.8
161.04449	5.5
163.73816	0.6
165.11514	0.5
171.10233	1.8
173.04504	0.5
173.49101	0.5
175.07649	0.6
183.54749	0.5
185.06120	0.6
187.07634	0.9
199.09721	0.6
201.09042	0.6
209.11613	0.7
218.45474	0.6
221.08138	3.4
235.04793	0.5
235.11258	2.9
236.10492	3.6
247.89653	0.5
248.08380	0.7
251.12936	1.9
255.10248	0.6
263.10791	6.5
279.10324	0.8
281.11789	3.8
289.07242	0.6
293.11847	0.7
295.13406	9.8
296.13708	1.0
307.09802	1.9
313.14215	0.8
325.10788	8.1
326.11072	0.7
339.12311	5.3
339.15851	0.6
339.25555	1.1
341.14041	1.7
342.14655	2.8
357.13260	0.9
357.17178	8.5
357.26608	3.7
358.17499	1.0
367.11880	1.8
399.16379	0.6
469.15417	1.3
487.16714	0.9
501.30743	9.7
502.31506	1.2
519.19312	0.6
519.31738	6.6
529.17151	6.0
530.17493	0.9
534.22675	0.6
561.19574	3.0
561.33026	6.4
562.32690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.2
57.03322	3.6
57.42881	0.4
57.59252	0.4
58.00462	1.8
59.01252	100.0
59.29226	0.4
60.01600	1.0
61.98708	1.1
69.03338	1.5
69.20190	3.9
71.01254	42.4
71.04886	0.8
72.01621	0.7
72.99186	1.8
73.02816	12.4
75.00755	1.3
83.01257	6.5
83.04900	0.6
85.02825	17.4
85.06487	0.4
85.99957	0.9
87.00743	5.5
87.04384	1.9
89.02319	14.0
95.01261	3.9
96.95916	0.4
97.02831	1.8
97.06473	2.1
98.19859	0.8
99.00765	5.5
99.04391	0.6
101.02322	25.6
101.05974	0.9
102.02643	0.4
109.06474	0.4
111.00756	2.6
111.08031	0.5
112.01572	0.5
113.02333	25.0
113.05947	0.7
114.02688	0.7
115.00230	0.4
119.03390	5.3
119.04930	0.7
121.10106	1.9
123.08057	0.6
125.02349	2.0
125.09633	0.5
129.01846	0.8
131.03413	0.8
137.09651	0.8
139.07582	0.5
139.11163	0.8
141.01846	0.8
143.03398	2.7
149.04536	0.8
149.05936	0.8
151.11232	0.6
152.08376	0.4
152.86452	0.3
153.09143	0.6
153.12770	0.5
155.10687	0.8
159.02919	2.0
161.04471	11.6
163.03912	0.8
163.11220	0.5
165.12680	0.4
167.10701	2.0
169.12354	0.5
170.06061	0.4
173.04559	0.7
177.05518	1.5
177.12788	0.4
179.05582	1.7
181.12265	0.7
185.00699	0.5
222.52605	0.4
233.19031	0.5
235.17070	0.6
235.26602	0.4
249.18582	0.8
251.20270	0.4
253.22018	0.4
263.20245	0.7
266.43546	0.5
281.21286	1.0
291.23224	0.4
293.21307	0.6
295.22791	1.0
297.24423	1.4
307.19131	0.5
309.24402	0.8
315.58322	0.4
321.24454	2.0
327.12396	1.2
339.21439	0.3
339.25391	6.9
340.25623	0.5
342.14703	3.6
357.17096	7.4
357.26434	15.3
358.17493	1.2
358.26843	1.3
359.27948	0.8
381.26544	2.0
399.27655	0.6
411.27499	0.7
441.28635	0.9
447.27527	0.6
461.54681	0.4
465.28656	1.8
471.29321	0.7
483.29587	2.2
501.30698	63.7
502.31024	9.0
519.31726	27.8
520.31873	4.4
561.21161	0.5
561.23608	0.5
561.33002	5.7
562.33075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79468	0.7
59.01236	0.8
61.98711	1.8
63.58771	0.6
63.63813	0.6
71.52000	0.6
78.95783	8.0
85.06449	1.0
87.79187	0.7
97.26484	0.6
127.59176	0.6
140.01083	3.5
155.14229	0.7
165.12799	1.9
181.12305	1.2
194.06139	0.7
196.03760	1.9
199.11499	0.9
199.13344	17.6
200.13779	1.3
210.70218	0.7
214.04778	4.5
221.86128	0.6
273.94986	0.6
279.19635	5.6
280.20157	0.7
347.25885	6.3
348.26294	0.9
363.35663	0.6
365.26953	100.0
366.27316	11.8
562.31494	22.9
563.31934	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	563.1028
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.96579	2.3
57.03333	13.1
59.01249	100.0
61.98697	13.0
67.66949	2.2
69.03333	3.8
69.52547	2.2
69.67161	14.0
71.01250	37.8
72.99170	2.6
73.02818	11.5
73.71294	2.4
81.03329	6.0
83.01270	12.4
85.02811	20.1
87.00763	4.8
89.02319	17.1
93.03335	4.7
95.01255	6.2
95.04904	3.7
97.02852	5.7
97.28844	2.3
99.00771	3.2
99.04412	3.2
101.02313	23.6
108.02077	2.6
109.02850	6.4
111.04357	2.4
113.02328	21.6
113.05912	3.4
115.28714	2.4
118.37081	2.1
119.03407	5.6
121.02827	2.5
122.03619	3.4
123.00797	2.4
123.04400	9.8
125.02343	43.3
134.03702	2.9
135.04404	7.3
137.02354	26.5
139.00302	2.5
139.03854	2.5
143.03433	2.9
149.02362	4.2
151.03886	12.0
155.10641	3.6
161.02324	4.1
161.04475	8.0
161.05844	2.3
164.01067	4.6
165.01854	6.9
167.03403	14.8
173.04472	10.3
173.05898	2.5
175.02388	2.9
177.01836	2.6
179.03430	6.6
189.05490	4.0
191.05591	6.9
193.05025	2.9
203.03435	2.6
211.03894	2.4
213.05528	7.0
215.03429	2.6
217.04770	3.0
225.05388	2.7
227.03497	3.4
229.04982	8.5
239.03416	2.6
241.05022	39.6
243.02948	6.6
253.05037	6.2
254.05832	3.4
255.02965	12.6
257.04422	12.1
269.04532	11.6
269.11746	3.2
271.02457	23.8
272.03006	3.5
279.06558	3.4
281.04694	3.9
299.01764	4.5
300.02725	65.7
301.03137	6.8
315.05136	62.3
315.08817	6.3
316.05267	6.9
323.22629	3.1
327.01553	2.5
329.14059	3.7
341.19571	5.9
344.16241	17.0
359.14859	20.9
359.18658	33.2
359.27954	7.5
360.15164	3.4
360.19293	2.8
389.06409	4.8
407.07776	4.7
425.08786	5.4
437.08597	3.2
459.09055	3.5
503.24847	11.4
503.32208	35.5
521.33063	9.7
545.10846	3.0
563.11731	22.1
563.30579	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	563.1199
Annotation	Theaflavin
Peak:m/z	Relative Intensity
55.01727	1.4
57.03325	13.0
59.01251	43.6
61.98701	2.5
65.03825	1.2
69.03322	4.1
69.22340	7.8
69.22762	3.8
71.01260	14.6
73.02811	6.8
81.03325	7.9
83.01250	12.1
85.02827	11.5
87.00761	2.8
88.98717	1.2
89.02333	5.6
93.03313	2.6
94.02905	1.4
95.01266	3.7
95.04913	6.8
97.02815	6.0
99.04407	4.1
101.02326	10.4
107.04918	3.5
108.08078	4.2
109.02837	5.0
111.04392	1.2
113.02322	12.0
113.05931	3.3
119.03426	1.8
121.02847	3.6
123.00790	1.6
123.04399	4.9
124.01507	1.2
124.03951	2.1
125.02341	60.5
126.02661	2.7
128.03601	1.4
132.04420	3.3
135.04411	3.8
137.02344	49.2
138.02773	2.1
139.03883	3.2
149.02354	2.4
149.04445	1.5
149.17935	1.2
150.05499	3.8
151.03935	11.8
152.07076	3.1
157.06490	1.3
159.04494	2.0
161.02364	2.4
161.04474	2.8
161.05984	2.7
163.00287	2.8
163.03908	4.1
164.01077	7.6
164.07076	1.5
165.01843	21.2
165.05478	1.4
167.03418	30.5
167.04733	1.4
168.03737	1.8
173.04463	2.2
173.05978	4.4
177.01802	2.1
179.03456	6.8
181.04999	9.4
185.05940	4.9
187.03951	3.1
187.07506	1.3
188.04686	1.8
189.05496	9.6
191.03436	1.4
195.04456	2.8
196.05135	1.4
197.05994	3.4
198.03194	2.6
199.03961	2.7
199.07512	1.3
201.05516	11.1
203.03496	1.3
203.07100	3.3
204.04276	1.3
205.04961	2.0
211.03902	5.9
212.04651	4.6
213.05502	19.3
214.02698	3.2
215.03400	9.6
216.04135	4.0
217.04959	10.0
224.04701	2.1
225.05566	5.1
226.02769	1.3
227.03470	5.2
228.04138	3.4
229.05008	22.5
230.05469	2.3
231.06616	5.8
235.03856	1.3
236.04779	1.4
237.05476	1.4
239.03400	2.3
239.07112	2.4
240.04242	4.0
241.05026	100.0
242.02232	4.6
242.05402	8.4
243.02974	6.4
243.06554	2.3
244.03711	1.9
245.04536	3.2
249.05582	2.0
251.03500	4.0
251.07051	2.0
252.04106	1.7
253.05055	9.8
254.05583	2.1
255.03035	1.6
255.06601	2.0
256.03635	2.7
257.04535	30.6
258.05002	4.2
259.06082	6.4
261.39850	1.5
262.06223	1.3
263.03223	1.6
263.07138	2.8
265.05063	5.5
267.06610	3.6
269.04544	27.3
269.07867	2.6
270.05069	3.8
271.06042	2.8
275.06934	1.6
277.05072	3.5
279.06616	4.3
280.03604	1.7
281.04617	14.9
282.05026	3.1
282.08679	1.2
287.05481	2.2
291.06644	3.5
292.07303	2.5
293.04706	2.8
293.08194	4.0
294.05240	1.5
295.06149	2.8
297.12427	3.2
298.84354	1.4
299.05698	1.7
303.06427	2.3
305.08127	1.7
307.06158	2.7
309.07544	2.5
311.05600	1.3
311.09186	2.1
315.13443	6.7
317.04468	1.5
317.07935	1.7
319.06104	2.7
320.06845	2.2
321.07709	4.2
323.05594	1.9
333.07608	3.8
335.05618	1.5
335.09256	5.2
337.07050	2.6
339.08585	3.4
341.10251	4.4
341.13916	2.9
345.07599	1.6
349.07169	1.4
351.08737	2.0
353.10217	3.1
355.08337	2.3
359.05615	1.8
359.14813	8.5
359.28043	3.3
361.06866	2.8
361.22324	1.3
363.04794	2.5
363.08807	4.3
375.08813	2.6
377.06555	4.9
379.08264	10.6
380.08344	1.7
381.09982	3.2
389.06775	7.2
390.07184	1.4
391.08185	1.4
395.07727	6.8
397.09424	6.2
401.06458	2.4
407.07794	13.7
408.07944	2.6
419.07687	5.5
424.08008	4.0
425.08710	16.1
426.08939	2.6
437.08817	4.2
477.11975	2.3
479.09546	1.5
501.11765	3.7
503.32370	12.7
519.12653	5.4
521.33179	5.2
527.09680	2.3
545.10785	9.6
546.11438	1.7
554.65002	1.4
563.11932	67.9
564.12250	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02452	0.1
54.47418	0.1
55.01756	0.2
57.03325	0.4
58.00467	0.5
59.01252	14.6
69.03336	0.1
69.77145	0.2
69.77551	0.4
71.01254	5.1
72.01572	0.1
72.99182	0.7
73.02821	1.8
73.03200	0.2
81.03331	0.1
83.01260	0.7
85.02826	2.8
85.99970	0.2
87.00768	0.6
87.04395	0.3
89.02322	3.3
90.09934	0.1
95.01279	0.3
97.02810	0.2
97.06475	0.1
97.79624	0.1
99.00755	0.4
101.02328	4.5
101.05948	0.1
102.02686	0.2
103.03892	1.7
113.02340	3.2
114.02673	0.1
115.03884	0.4
119.03407	1.4
123.95525	0.1
125.02363	0.3
127.03909	0.2
131.03426	0.5
143.03409	1.7
145.04979	0.3
148.53250	0.1
151.03899	0.2
161.04471	0.9
163.06042	0.9
197.06013	7.3
198.06401	0.5
205.07085	1.7
225.05524	37.1
226.05873	2.9
240.07887	52.6
241.08217	4.1
253.08717	0.3
255.10248	100.0
256.10580	9.3
307.10312	0.3
339.12408	0.3
341.26697	0.1
344.16269	0.2
354.24277	0.1
359.18619	0.4
359.28000	0.8
360.28119	0.1
417.15543	0.2
457.38889	0.1
485.30365	0.2
502.30457	0.1
503.32288	5.2
504.32465	0.5
521.33356	2.3
522.33173	0.2
563.21338	5.4
563.34485	0.3
564.21692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.1
57.03333	3.1
58.00459	0.7
59.01251	63.7
60.01569	0.5
61.98708	1.7
69.03323	1.0
69.79559	1.0
69.79967	1.3
71.01254	23.5
71.04901	1.5
72.01606	0.6
72.99171	1.1
73.02823	6.0
73.48165	0.4
83.01257	2.9
85.02822	9.3
87.00756	2.0
87.04357	0.5
89.02316	12.9
93.03326	1.2
95.01268	1.8
97.02854	1.1
97.06467	1.0
98.20464	0.6
99.00766	2.1
101.02324	12.8
101.05975	1.1
107.04929	1.1
109.02831	2.4
109.06474	0.7
111.00785	0.9
113.02328	14.0
114.37173	0.4
119.03411	4.8
119.04922	1.8
125.02354	2.3
131.03392	0.8
133.06464	0.7
135.04411	0.5
137.02345	16.2
138.03041	1.8
138.27415	0.4
138.37386	0.5
143.03400	1.9
149.04482	0.6
149.05948	0.9
150.03123	3.7
151.03914	23.6
151.07555	0.5
152.04359	0.7
159.02884	1.0
161.04478	6.8
161.05997	1.6
163.07460	0.5
164.04720	1.4
165.05472	5.4
173.04463	1.9
179.05539	1.6
179.07051	1.0
181.15834	1.1
197.06052	0.6
208.07304	0.5
209.08150	3.7
223.09663	2.6
225.05534	4.0
240.07921	3.8
241.08167	0.6
243.19655	0.6
253.09485	0.6
255.10225	7.7
256.10696	0.6
257.21185	1.7
297.11185	0.5
301.14465	0.8
301.23972	0.5
311.12845	0.7
327.21628	1.9
329.13940	15.0
330.14355	1.0
341.27020	3.4
343.15399	0.7
344.16263	50.5
345.16653	7.7
359.18625	100.0
360.18979	13.1
395.16003	0.5
485.31146	1.3
488.09076	0.5
503.23642	1.4
503.32306	28.3
504.32501	4.2
521.33337	12.6
522.33801	1.3
563.25879	0.8
563.34534	3.7
564.34668	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	563.2498
Annotation	Frajunolide J
Peak:m/z	Relative Intensity
55.01758	1.9
56.12074	0.4
57.03320	3.8
58.00468	2.1
59.01251	100.0
60.01585	1.5
61.01680	0.5
61.98691	2.4
66.46600	0.4
68.99692	0.6
69.03331	2.1
71.01255	39.1
71.04904	0.6
71.10493	1.0
72.01606	0.6
72.99177	4.1
73.02819	11.0
74.03156	0.5
75.00771	0.6
76.02293	0.4
78.19997	0.4
81.03344	0.5
83.01264	6.1
83.04919	0.9
84.02051	0.5
85.02824	17.9
85.06466	0.6
85.99985	1.9
87.00756	5.0
87.03461	0.4
87.04384	2.3
89.02317	15.6
93.03336	1.4
95.01254	3.9
95.04948	0.8
97.02836	2.6
97.06505	0.6
99.00768	4.1
99.04383	0.7
101.02325	21.7
101.05964	1.1
102.02673	0.7
107.04883	1.0
109.02857	1.6
111.00780	1.5
112.01565	1.5
113.02335	19.1
114.02629	0.9
119.03395	6.3
119.04910	1.3
121.02906	0.5
123.04420	0.7
124.01569	1.4
125.02310	3.6
129.01877	0.6
129.09102	0.8
131.03467	0.5
133.02812	0.4
134.03650	0.6
135.04446	1.5
137.02336	10.5
137.03304	0.6
138.03168	2.3
141.01831	0.6
142.02664	0.5
143.03404	3.9
149.04471	0.5
149.05971	0.7
150.03134	5.5
151.03915	34.6
151.86714	0.5
152.04306	1.4
159.02905	1.2
160.40369	0.4
161.04459	5.8
163.03917	0.5
164.04730	1.2
165.05481	6.0
170.02142	0.7
173.04483	2.0
173.11769	1.2
177.05408	0.7
177.51727	0.4
179.05563	2.1
179.07059	0.7
187.07555	0.5
191.05547	0.8
205.08728	0.5
206.09412	1.2
207.10199	5.5
208.07390	1.3
209.08195	3.0
221.11810	2.0
223.09721	2.2
241.18031	0.6
241.79863	0.4
243.19635	0.8
257.15427	0.5
280.08456	0.6
285.38760	0.4
301.14703	0.6
311.12918	0.8
313.14398	0.8
323.26001	0.5
326.15463	1.0
327.16116	1.3
327.22021	1.2
329.13931	5.3
329.17279	0.7
330.14630	1.6
341.17288	0.6
341.26901	3.0
342.27469	0.5
343.15463	2.9
344.16260	25.0
345.16830	7.2
357.16919	0.6
359.18613	20.1
359.27982	6.3
360.19022	3.5
360.28510	0.7
383.19055	0.5
383.28110	0.7
401.19852	0.7
401.29214	0.7
402.39386	0.5
429.19363	1.0
459.29346	0.6
467.30280	0.7
485.31369	1.4
488.20538	3.2
489.21204	1.0
503.23093	76.1
503.32333	35.7
504.23376	12.6
504.32687	5.1
506.21423	2.8
521.24103	52.8
521.33344	19.0
522.24469	9.3
522.33600	2.6
528.38452	0.5
545.33167	0.6
563.25122	14.7
563.34460	5.9
564.25549	3.0
564.34601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00199	0.5
55.01757	1.9
57.03317	4.2
58.00481	1.0
59.01250	100.0
59.31116	0.6
60.01582	1.4
61.98697	0.6
69.03337	1.0
71.01254	35.9
72.01589	0.6
72.99171	1.6
73.02823	11.2
79.77436	0.5
79.94547	0.6
83.01248	6.1
84.02037	0.6
85.02824	15.1
87.00758	4.4
87.04380	1.1
89.02312	11.1
95.01250	3.0
97.02807	1.1
99.00757	3.1
101.02319	18.6
111.00792	2.6
111.08069	0.7
113.02328	16.5
113.03068	1.1
119.03356	4.3
123.08127	0.8
125.02322	1.7
139.07512	0.6
141.09166	0.6
141.12790	0.8
143.03403	1.9
161.04456	6.7
169.12267	0.8
179.05560	1.8
201.14894	0.7
201.98613	0.6
220.28705	0.6
229.18091	0.8
229.69920	0.6
253.09413	0.7
279.19879	0.8
281.21329	0.8
295.22858	0.7
298.10495	0.6
307.23059	0.8
315.25555	0.6
327.21829	2.5
341.26895	2.9
343.25012	0.9
357.26184	0.8
359.28030	15.9
360.28571	1.6
383.28131	0.8
454.86761	0.6
455.30322	0.7
503.32260	71.5
504.32675	12.8
521.33258	36.6
522.33600	5.8
545.33575	0.7
563.34583	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	565.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.9
57.03321	5.1
59.01250	100.0
59.96932	1.7
61.98703	11.0
65.00185	6.5
69.03322	3.3
69.27665	14.9
71.01254	30.1
72.99169	5.0
73.02818	10.7
75.00704	2.0
81.03300	2.1
83.01254	7.7
85.02818	17.4
87.00745	5.8
89.02309	18.7
93.03351	6.6
95.01252	7.5
96.95879	3.6
97.02835	2.5
97.06433	1.8
99.00743	4.3
101.02322	15.5
101.93610	2.1
107.01284	5.0
107.89547	1.6
108.02061	3.4
109.02822	4.7
109.06461	2.0
109.99959	2.0
111.00777	8.6
113.02334	17.1
117.03339	4.3
119.03373	4.4
121.02797	4.0
123.00786	3.8
123.04399	3.0
125.02325	6.6
129.01804	2.3
135.04388	4.5
135.08049	1.8
137.02367	3.6
137.09590	2.9
137.99500	2.7
139.00237	10.2
143.03381	2.7
143.04890	4.1
149.02255	1.6
151.00288	11.1
151.03937	2.0
152.19838	1.7
152.34087	1.6
153.01820	2.1
153.09134	2.8
153.99008	2.5
154.99751	3.2
155.10655	5.8
159.04352	4.1
161.02306	3.0
161.04532	4.1
164.01068	2.4
165.98956	3.2
166.99744	3.3
167.03447	3.3
169.01257	2.9
171.04436	2.9
171.10213	6.8
173.02441	2.3
173.04492	5.4
173.05992	2.6
175.03952	2.2
177.01816	1.9
178.99770	11.9
179.03462	2.2
181.98511	2.7
183.04480	4.2
185.15942	2.1
187.03952	3.9
189.05499	3.2
191.05414	2.1
199.03850	3.7
199.09729	3.9
201.05414	3.4
201.11295	4.3
209.00777	2.9
215.03467	2.9
215.69553	1.9
216.04295	2.0
217.04967	5.1
227.03423	5.4
231.03078	3.1
231.12204	4.9
241.08720	4.1
243.02901	5.1
245.04391	3.0
255.02986	9.3
271.02524	24.6
272.03043	4.2
273.04004	6.7
287.01852	11.2
288.02661	2.1
289.03537	1.9
299.01953	38.5
300.02475	6.6
301.03497	3.9
316.02228	30.2
317.02887	19.2
343.14792	1.9
361.29703	4.4
372.21045	2.4
401.07254	2.0
403.23328	16.6
409.07806	5.7
479.07892	4.7
491.29111	2.3
498.89621	2.1
504.27063	2.3
505.34259	32.1
521.09369	44.3
522.09845	6.9
523.35693	12.2
564.30212	4.3
565.29315	15.0
566.11761	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13347	3.6
57.03342	6.4
59.01250	100.0
61.98706	9.5
63.02251	5.6
63.85161	4.4
65.00193	12.8
68.99686	3.8
71.01246	27.0
71.53599	7.4
73.02828	9.6
83.01253	13.6
85.02820	25.5
87.00761	7.7
89.02328	20.9
93.03326	8.2
95.01263	7.6
95.47438	4.0
99.00726	4.5
101.02352	27.9
104.77954	4.1
107.01286	8.0
109.02863	5.8
109.99969	4.5
111.00758	18.4
113.02333	18.5
117.03316	4.5
119.03389	4.0
123.00748	5.9
125.02325	5.6
129.01810	10.6
137.02361	5.0
137.99460	6.5
139.00307	19.4
151.00253	24.2
153.01793	5.1
153.99023	9.1
154.99860	9.8
159.04405	8.0
161.02348	5.2
165.99017	4.0
171.04463	5.2
171.10269	7.4
173.02417	4.6
173.06096	4.6
178.99794	13.1
187.03970	4.9
199.03932	6.9
199.09682	6.6
203.03371	4.9
209.00778	5.0
211.04092	4.9
217.05058	12.2
227.03439	9.6
231.12308	7.1
242.01999	4.8
243.03001	8.6
255.02924	19.2
259.02512	7.6
271.02499	46.4
272.03177	7.8
273.04080	5.5
284.03528	4.4
287.01947	13.4
298.00754	5.9
299.01984	75.4
300.02280	10.7
301.03488	7.6
316.02222	49.7
317.03043	24.6
355.77902	4.3
403.23300	22.5
409.07538	6.7
448.13000	4.6
505.33749	15.7
521.09436	68.0
522.09772	10.3
564.51990	4.1
565.29059	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	20.1
65.00206	4.1
71.01249	9.8
73.02837	5.4
83.01230	3.5
85.02808	3.4
89.02299	7.1
98.19793	6.5
101.02315	6.7
103.61636	3.2
109.02817	4.9
109.99978	18.2
111.00780	9.0
113.02414	2.8
125.02361	3.6
137.99489	5.3
139.00279	28.2
149.04449	3.6
151.00310	12.2
152.01027	3.2
155.10693	48.0
156.11086	3.5
163.00313	3.1
165.98976	20.4
166.99780	7.5
171.04485	3.4
174.03078	3.8
178.99757	17.3
199.04008	6.2
199.09702	34.6
206.99309	2.7
214.02681	5.4
215.03378	4.8
227.03488	10.1
230.56680	3.5
242.02208	6.5
243.02948	8.9
245.04633	3.2
251.59608	3.0
255.02985	4.2
259.02451	6.7
264.89105	2.8
270.01770	7.0
271.02499	66.8
272.03006	6.9
273.04202	4.8
287.02017	45.5
288.02460	8.4
299.01941	24.9
312.36224	2.7
316.02225	100.0
317.02936	46.5
317.12488	11.0
403.11270	3.7
468.50165	3.6
505.26031	3.6
515.09052	3.6
521.09399	98.5
521.18048	6.7
522.09711	16.1
565.16461	7.1
565.28662	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	565.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01247	4.2
69.19524	5.2
71.01245	3.4
72.99213	0.8
73.02831	0.8
83.30291	0.5
85.02815	2.0
87.00727	1.1
87.04366	0.9
89.02309	1.3
96.53732	0.5
96.65199	0.6
99.00802	0.6
101.02306	2.6
108.04418	0.6
111.00729	0.6
113.02330	1.5
122.06004	2.2
123.04438	0.5
129.01793	0.8
132.04439	3.9
135.04364	1.4
137.09637	1.7
146.02231	0.8
148.03909	0.7
150.05478	1.8
155.10687	9.2
158.02362	1.4
159.02930	0.5
160.03941	3.2
161.43338	0.5
162.05441	0.6
173.04460	1.2
176.03442	2.2
176.07034	0.8
181.08754	0.7
190.05023	6.7
191.05621	2.7
192.06572	1.1
199.09685	11.7
200.10057	0.6
211.12425	0.9
212.05681	0.7
212.10806	0.9
215.11717	1.6
220.02588	0.6
224.09485	2.7
225.06546	0.7
226.07347	0.9
227.08211	1.7
234.03998	1.6
239.08153	1.3
239.11847	7.4
240.10309	1.6
241.09709	3.5
253.06110	6.0
253.09775	1.2
255.07690	1.6
255.11380	1.9
265.09976	1.3
266.06888	0.8
267.07831	2.8
268.08585	3.4
281.09363	3.2
283.07709	1.5
283.10870	30.8
284.11191	1.9
287.10410	1.2
294.06668	0.6
299.10281	1.3
309.08807	12.2
310.09198	1.3
327.09872	14.0
328.10077	1.5
341.11319	6.5
353.07782	1.3
355.86853	0.6
359.12546	2.6
371.08820	12.0
372.09015	1.3
372.86612	0.6
373.16336	0.6
385.10248	2.0
403.11441	100.0
404.11801	12.0
427.11481	1.2
445.12698	2.8
472.55136	0.6
505.14542	1.4
565.16595	5.5
566.17316	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15478	1.1
59.01258	12.9
69.72195	5.0
69.72603	3.1
71.01257	5.9
73.02811	2.3
77.20474	1.2
85.02810	2.6
89.02307	5.4
92.57928	1.2
99.04411	1.3
101.02332	6.8
104.04906	1.5
113.02328	1.7
122.06004	3.0
132.04414	6.1
137.09601	4.3
147.03149	1.3
150.05496	1.9
155.10703	21.2
158.02348	3.6
160.03978	4.2
161.04735	1.7
162.05473	2.3
175.09669	1.8
176.03456	3.9
184.07626	1.6
190.05060	11.8
191.05460	2.2
198.04260	1.6
199.09724	19.3
211.05121	2.2
211.12326	3.1
213.06520	1.3
215.11885	1.7
224.07471	1.7
224.09534	4.9
224.19812	1.4
225.06580	1.8
226.07283	1.7
227.08211	3.6
238.08864	1.6
239.08310	2.8
239.11864	14.2
240.10168	5.1
241.09734	7.2
250.04776	1.2
250.07375	2.4
252.05269	1.4
253.06194	13.6
253.09682	3.5
254.03291	2.9
254.06754	2.1
255.07761	6.4
255.11295	3.2
265.09784	4.3
266.07974	2.3
267.07709	8.6
268.08459	7.8
281.09363	8.5
283.10889	46.5
284.11151	3.8
287.10349	2.6
299.10403	3.5
309.08838	26.1
317.12103	1.9
327.09833	21.2
328.10284	1.5
341.11487	7.8
342.11270	1.7
353.07959	1.6
359.12549	3.0
361.15204	1.3
371.08820	20.3
385.10370	27.4
386.10687	1.7
403.11478	35.8
403.16156	2.5
404.11716	2.9
445.12125	2.1
533.14368	7.5
565.16693	100.0
566.16986	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	565.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65164	0.2
55.01771	0.3
57.03326	0.6
59.01251	7.2
61.98685	0.3
69.03327	0.4
71.01258	4.0
72.99160	0.4
73.02818	3.9
75.00738	1.4
75.65411	0.2
83.01260	0.6
85.02816	1.7
87.00749	0.5
87.04401	2.3
89.02322	2.2
93.03325	0.3
95.01270	0.4
97.02798	0.4
97.06514	0.4
98.20541	0.8
99.00765	0.8
101.02335	2.3
109.25678	0.2
110.00021	0.4
111.00763	0.4
113.02328	1.4
117.01828	0.8
119.03403	0.5
123.00785	0.3
123.08088	0.3
125.02328	0.6
135.02892	0.6
135.04471	0.2
135.08066	1.6
137.09625	9.8
138.09908	0.3
139.00270	0.4
139.11238	0.4
143.03407	0.4
148.15282	0.3
149.04492	0.6
151.00259	0.6
151.11201	0.3
155.10686	100.0
156.11017	5.6
161.04402	0.3
163.00189	0.3
165.98984	0.3
169.12245	1.1
173.04321	0.3
175.07677	0.3
177.03961	0.2
178.99789	0.4
181.07201	0.3
181.08632	1.0
191.05528	0.4
194.00885	0.8
199.09694	71.1
200.10027	3.8
213.11264	0.7
215.03419	0.2
229.82455	0.3
241.10861	2.8
243.02998	0.3
271.02505	1.6
272.03088	0.4
283.11087	0.2
287.02069	1.3
299.01901	1.2
299.11172	0.5
300.02609	0.8
301.03293	0.3
308.22449	0.4
316.02194	2.4
317.02701	1.0
317.12411	20.5
317.15756	0.8
318.12766	2.1
322.72028	0.2
327.09702	0.7
359.13467	0.7
373.22092	0.3
403.11618	0.4
403.16071	2.7
403.23169	0.5
404.16412	0.4
444.79770	0.2
469.26370	0.3
479.17532	0.8
489.14935	0.3
505.26572	1.5
521.09454	3.1
521.18652	10.2
522.10480	0.4
522.19061	2.0
523.30798	0.5
565.20532	0.5
565.28674	1.7
566.11597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38952	0.7
59.01251	7.7
61.69918	0.6
70.37045	0.5
71.01257	5.4
71.52345	0.9
72.99195	0.7
73.02826	4.5
75.00754	1.3
83.01276	0.8
85.02808	3.2
87.00767	0.7
87.04380	1.5
89.02324	2.7
97.06494	0.7
97.20754	0.5
101.02323	3.4
109.02850	0.7
111.00702	0.6
113.02331	2.1
117.01802	1.1
129.01857	0.6
137.02353	0.7
137.09633	9.0
138.09924	0.7
140.01764	0.7
143.68880	0.6
143.96254	0.5
148.17703	0.5
155.10687	100.0
156.11003	5.5
166.99704	0.6
178.99762	1.5
181.08464	0.6
191.05627	0.8
199.09695	73.3
200.10011	5.7
213.11424	1.0
241.10808	2.5
271.02411	3.0
287.01990	1.5
299.01929	2.1
316.02307	3.7
317.02917	2.2
317.12457	21.1
317.16077	2.6
318.03568	0.7
318.12900	2.0
327.09888	1.4
359.13550	1.1
373.22552	1.2
403.11444	0.7
403.16235	2.6
444.70227	0.6
505.25864	3.7
506.26785	1.1
521.09595	5.6
521.18890	11.8
521.25995	1.2
522.10187	0.8
522.19110	2.0
565.28784	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	565.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39514	0.9
55.01770	1.0
57.03315	2.3
58.00452	1.0
59.01250	22.1
61.98705	2.3
67.98105	0.8
68.99706	1.0
69.03329	1.3
70.91032	1.7
71.01256	13.4
72.99200	1.5
73.02823	8.6
75.00751	1.3
75.60695	0.9
83.01270	2.1
85.02821	8.9
87.00764	2.0
87.04385	1.6
89.02313	5.2
95.01299	1.1
96.33004	0.8
96.95878	1.3
97.06445	0.9
99.00735	1.9
99.04385	0.9
101.02320	8.8
110.02387	0.9
111.00717	1.5
112.97432	0.8
113.02327	4.2
119.03342	1.9
121.02824	0.8
123.00831	0.9
125.02325	1.7
129.01862	1.1
135.04417	1.1
135.06569	1.2
135.08061	1.4
137.02367	1.6
137.09633	8.9
139.11188	1.1
151.00252	1.9
155.10680	100.0
156.11017	5.4
161.04451	2.0
166.02646	2.3
167.03366	1.7
173.04449	1.1
181.04947	0.9
181.08611	1.9
184.52515	0.8
191.05533	1.5
199.09685	48.8
200.10027	3.6
231.15981	0.8
235.31015	0.9
241.08560	1.0
241.10741	3.0
249.60263	1.1
271.02771	1.1
287.02042	1.7
299.01913	1.3
299.14957	2.4
309.22568	1.2
316.02292	3.4
317.03229	1.1
317.12396	7.0
317.15997	45.7
318.13132	1.1
318.16422	3.8
403.13913	4.9
403.23477	2.1
459.28531	0.9
475.27408	1.2
505.30612	6.7
521.09418	2.2
521.18616	3.0
523.30988	3.3
565.20801	1.8
565.28290	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	565.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.7
56.74752	0.3
57.03327	4.3
58.00466	1.0
59.01252	94.2
60.01578	1.5
61.98683	0.3
69.03331	0.7
71.01256	27.5
72.01610	0.4
72.99180	0.9
73.02821	5.9
75.00742	0.6
83.01266	3.4
85.02827	15.3
85.99979	0.7
86.03165	0.4
87.00749	2.1
87.04419	1.0
89.02321	9.8
95.01270	4.2
97.02850	1.5
97.06460	0.4
99.00755	3.1
101.02323	13.1
109.06441	0.3
111.00781	1.3
111.08023	0.4
112.01571	1.0
113.02331	19.8
114.02706	0.4
119.03399	2.9
123.08065	0.6
124.01571	0.8
125.02334	2.7
126.02647	0.5
127.11160	0.4
137.02390	0.4
141.01930	0.3
143.03403	3.5
143.10815	0.3
152.24834	0.3
153.09113	0.3
159.02940	1.2
161.04480	5.1
171.13789	0.8
173.11798	0.4
179.05566	0.5
187.13322	1.0
200.13927	0.3
201.14938	0.9
211.55489	0.4
241.04819	0.3
241.08847	0.4
242.05325	0.3
247.38768	0.3
278.21643	0.3
315.25446	1.0
341.26926	0.3
343.28470	1.5
344.28683	0.4
348.63171	0.3
359.27994	1.6
361.29599	12.9
362.29996	1.3
403.18042	0.4
403.30566	0.8
431.30334	0.5
457.31757	0.9
469.31531	0.5
475.32410	0.9
505.33841	100.0
506.34125	17.0
506.40302	0.3
523.34888	28.1
524.35168	4.1
565.12787	0.9
565.36169	2.7
566.36145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21372	0.5
54.86195	0.5
55.01760	1.7
57.03321	4.5
58.00462	1.1
59.01251	100.0
60.01577	1.3
60.36423	0.4
61.98708	1.4
69.03337	1.1
71.01254	29.4
71.02896	0.9
72.99187	1.4
73.02818	9.0
75.00732	0.5
83.01265	4.6
85.02826	13.4
87.00754	3.0
87.04397	1.4
88.83253	0.5
89.02313	10.4
90.02635	0.5
95.01259	4.1
97.02846	1.4
99.00773	2.6
101.02325	17.1
111.00765	2.0
113.02337	17.4
119.03382	4.2
125.02328	1.8
143.03444	2.4
153.09111	0.6
159.02921	1.3
161.04469	7.0
169.12273	0.4
171.13844	0.6
179.05534	1.3
182.42151	0.5
213.14960	0.5
229.18002	0.5
299.22046	0.6
301.23572	0.9
307.64029	0.5
315.25452	1.0
328.47794	0.5
333.19043	0.4
343.28625	1.8
345.26227	2.1
359.28119	1.4
361.29602	15.6
362.29935	1.9
403.30853	0.7
469.31683	0.6
475.32602	0.6
505.33820	92.5
506.34158	15.1
506.41507	0.8
523.34863	36.2
524.35217	7.0
565.35822	6.4
566.35956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03320	3.9
58.00477	1.3
59.01252	100.0
60.01588	1.7
61.98711	2.9
69.03329	1.2
69.12429	0.4
71.01255	32.5
71.04903	0.5
72.01621	0.7
72.99178	1.1
73.02823	9.5
74.03145	0.4
75.00780	0.4
83.01263	4.9
85.02827	12.5
86.00000	0.8
87.00756	4.0
87.04408	1.8
89.01760	0.7
89.02320	15.8
89.43944	0.5
90.02702	0.4
95.01265	4.4
97.02850	1.2
98.19828	0.8
99.00754	2.7
101.02326	20.1
101.05961	0.8
111.00739	2.0
113.02335	20.9
114.02705	0.5
115.03912	0.5
119.03387	4.9
124.01579	0.9
125.02327	3.9
131.03403	1.1
134.24036	0.4
142.02596	0.7
143.03391	4.2
149.04448	0.6
155.10678	0.6
159.02895	0.7
161.04466	6.4
177.57942	0.4
179.05588	1.7
191.05734	0.5
201.14980	1.0
220.83566	0.4
227.16611	0.9
239.20161	0.4
243.19612	0.7
255.19406	0.6
271.09894	0.5
301.23907	1.0
315.25467	1.3
331.21265	0.5
343.28296	2.2
345.26346	1.2
359.27872	2.1
360.28018	0.6
361.29593	17.7
362.29932	2.3
403.30719	1.7
457.31613	0.8
469.31961	0.7
487.33032	0.8
504.33463	0.5
505.33801	77.0
506.27661	0.4
506.34125	13.3
523.34851	41.2
524.35272	7.0
539.22009	0.5
565.36029	7.9
566.36212	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10611	0.4
59.01253	16.7
61.98706	0.7
78.95775	5.7
85.51700	0.4
90.01553	0.4
98.20547	1.6
106.37578	0.5
129.87453	0.4
152.99513	0.7
168.04211	1.7
224.06883	1.1
229.61751	0.5
242.08017	2.4
267.23285	100.0
268.23645	9.4
270.09412	0.4
276.87708	0.4
449.62643	0.5
461.23773	0.4
492.30969	27.2
493.31369	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	567.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	31.9
60.71404	3.9
61.98707	8.6
65.00208	5.0
68.99696	4.0
69.40674	13.3
69.41107	14.6
71.01250	10.0
72.99183	3.7
73.02814	4.0
83.01274	5.5
85.02842	4.4
86.26562	3.1
87.00723	5.0
89.02334	6.7
93.03333	5.1
95.01244	3.3
99.00711	3.0
101.02318	8.0
107.01263	6.0
111.00745	8.9
123.00761	5.4
124.01523	5.2
125.02324	6.8
127.00276	3.7
127.03920	3.7
135.04471	4.4
136.98735	3.7
137.02370	4.7
139.00241	9.4
147.04417	5.4
151.00272	28.1
152.01065	27.5
154.99774	9.2
155.10657	3.9
159.04395	6.1
160.01523	3.6
161.02312	10.0
165.05472	3.1
166.99776	11.8
169.01343	4.7
175.03946	5.4
177.01860	6.9
178.99767	11.9
179.03360	3.6
185.02332	3.5
187.03917	6.6
189.01866	4.3
201.01712	4.3
203.03421	22.5
207.02847	4.0
215.03452	21.0
216.03896	4.4
217.01283	7.4
229.01292	6.8
230.02170	6.4
231.02893	18.6
242.02344	5.0
243.02919	7.5
245.00911	6.4
257.00906	8.8
258.01691	5.5
259.02463	76.2
261.04166	4.7
271.02551	6.6
275.02005	7.3
287.01935	15.0
289.03586	14.3
290.04327	62.1
291.05038	23.1
299.01898	4.0
300.02869	4.6
301.03464	6.6
303.01404	32.1
315.05081	6.5
317.02832	18.6
318.03784	43.8
319.04504	12.6
336.97055	3.4
345.02432	15.1
362.02444	6.0
363.03558	6.5
481.09854	14.9
523.10925	100.0
524.11389	15.0
566.31232	4.3
567.10010	12.5
567.32544	4.3
568.10040	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	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.7
56.61370	0.6
57.03321	1.2
59.01252	12.8
61.98710	2.0
67.01752	0.6
69.03329	2.8
71.01256	6.3
71.23443	1.2
72.99191	1.6
73.02808	3.9
75.00755	3.2
83.01250	0.6
83.76622	0.5
85.02831	4.9
87.00767	1.7
89.02322	1.7
93.03343	1.5
95.01268	2.4
97.02829	34.8
98.03162	0.8
99.00748	2.5
101.02339	2.9
105.36337	0.5
109.02870	0.6
111.00727	0.6
113.02344	4.9
117.03365	1.0
118.97993	2.1
123.00749	2.7
135.04414	1.8
135.08063	0.9
137.09618	6.4
155.10681	100.0
156.11003	5.4
166.99742	0.7
173.04399	1.2
175.02414	0.7
175.04100	0.6
185.00838	1.1
191.05545	0.7
199.09691	88.9
200.10017	4.4
241.13515	0.7
249.06078	2.3
273.13409	3.3
285.12485	1.7
367.10065	0.8
385.11398	1.0
386.84171	0.6
389.24860	0.6
423.22528	1.3
431.02652	0.6
431.15292	1.4
447.17664	2.7
449.16638	21.1
450.17020	2.9
472.25369	0.6
506.33807	1.7
507.34225	1.5
563.02637	0.7
567.13123	0.9
567.20795	13.5
567.28815	0.8
568.21167	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	567.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
57.03315	2.9
58.00478	2.6
59.01251	100.0
59.55650	0.5
60.01589	6.1
60.26996	0.5
61.01679	2.2
61.98702	5.4
67.01754	0.9
69.03336	6.1
71.01254	71.0
72.01593	3.7
72.99174	3.6
73.02819	11.9
74.02337	0.7
75.00756	3.0
79.22936	0.6
81.03346	3.0
83.01258	6.5
83.04902	0.8
84.01604	0.9
85.02827	12.4
86.03171	1.2
87.00750	3.8
87.04412	1.7
89.02316	64.4
90.02669	1.2
90.98483	0.8
93.03368	1.0
95.00751	0.8
95.01244	3.8
97.02831	8.2
97.06516	0.6
99.00758	12.8
99.04401	1.9
101.02327	21.6
101.02996	1.1
101.05980	1.3
102.02666	1.7
103.02782	0.7
109.02867	1.0
111.00771	2.0
113.02339	16.2
114.02701	2.2
115.03893	5.3
119.03391	4.0
121.02978	0.6
122.02383	1.6
125.02341	30.8
126.02704	1.7
127.03921	1.2
129.01878	0.9
131.03401	8.2
135.04431	1.0
135.08080	1.3
136.01530	0.6
136.47597	0.6
137.02371	1.8
137.09604	3.1
143.03401	3.7
149.04469	9.1
152.08369	0.7
153.09192	0.9
155.10681	11.2
156.06583	0.7
161.04460	3.3
171.08118	1.3
173.04478	1.4
173.05969	0.8
179.03447	0.8
181.08696	0.9
191.05540	6.5
195.96948	0.6
197.06038	3.2
199.07645	2.1
199.09755	2.6
201.05612	1.2
205.12267	1.2
215.07185	2.9
218.08272	0.7
225.05501	9.1
226.05960	0.6
233.06627	28.5
234.07112	1.6
243.06609	18.3
244.07051	1.6
258.08960	14.5
259.09326	1.4
273.11295	6.0
274.11670	1.0
293.08783	27.9
294.09311	1.8
302.24277	0.9
344.29019	0.7
345.17072	1.5
346.26709	0.8
360.28671	0.7
361.29669	3.6
362.29990	7.4
363.30493	1.6
404.30957	0.6
505.34033	2.9
506.34082	27.5
507.34399	14.4
508.35126	1.2
523.34857	1.2
524.35046	11.3
525.35474	6.5
525.42432	0.6
566.36682	1.1
567.20892	10.6
567.28571	17.4
568.21332	3.4
568.29053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2297
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
55.01756	1.7
57.03330	6.1
58.00468	1.0
59.01253	20.0
61.98699	1.3
67.01771	1.3
68.99689	1.3
69.03309	1.7
69.71593	0.9
69.96243	0.8
71.01257	20.1
71.52659	1.4
72.99187	7.6
73.02822	5.7
75.00748	12.7
81.03352	1.0
83.01265	2.0
83.04896	1.2
84.87395	0.9
85.02830	17.7
87.00768	8.6
89.02331	10.5
92.24023	0.9
93.03339	3.3
95.01292	4.6
97.06458	1.1
99.00764	8.0
99.04387	1.2
99.66927	0.9
101.02333	5.2
103.00253	1.4
109.02852	3.2
111.00793	1.1
111.04412	2.2
113.02341	20.3
115.00276	1.6
117.01848	2.3
119.03387	2.3
121.02843	1.3
123.04404	2.5
125.02341	14.5
129.01845	1.6
135.04417	4.6
137.02371	4.8
137.09639	6.5
143.13860	0.9
151.03928	2.8
155.03450	2.0
155.10690	87.3
156.11018	5.3
161.02345	2.4
161.04201	0.9
164.01001	1.5
165.01949	1.0
166.37015	0.9
173.04469	1.9
175.02440	2.3
175.03929	1.5
179.03456	1.8
179.05424	0.8
181.08714	1.7
191.05527	1.5
199.04115	2.2
199.09720	21.5
200.10098	2.8
231.05032	1.9
243.06688	2.6
249.06157	13.0
250.06473	1.2
257.04874	1.7
273.13440	3.8
283.06433	2.2
287.05872	1.3
289.07086	1.7
313.11035	1.0
317.16025	1.6
320.56277	1.1
325.11194	1.2
329.12369	1.5
355.11819	1.1
387.10846	1.4
387.16599	3.4
407.59308	1.2
431.15607	2.2
449.16513	22.4
450.16986	2.3
567.15393	12.8
567.23004	100.0
567.30237	7.1
568.15619	2.4
568.23322	19.4
568.31494	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95305	1.4
57.03333	1.6
59.01260	9.3
61.98708	15.6
63.01602	1.2
69.72504	4.9
70.50599	1.2
71.01245	4.9
73.02808	1.5
85.02825	3.2
86.55513	1.5
88.98687	1.7
89.02296	2.5
101.02312	2.4
107.01287	2.0
109.02841	2.3
111.00798	1.5
113.02288	1.9
120.08091	1.9
125.02323	3.0
137.02310	1.5
137.88324	1.7
148.01547	2.1
148.03938	1.4
151.00293	9.3
163.00330	2.8
164.07129	1.9
173.04529	2.1
178.99820	4.9
193.01355	2.1
199.03975	1.4
227.03374	1.8
227.07103	2.7
243.02870	9.1
243.10176	14.0
244.10600	10.8
254.02119	1.9
255.02936	24.2
256.03378	2.5
261.75235	1.4
271.02493	56.6
272.03067	6.8
300.02759	88.7
301.03452	35.5
302.03809	2.7
405.15564	1.6
406.16162	2.1
458.59143	1.4
463.08578	2.4
500.56595	1.6
505.09869	100.0
506.10178	14.6
567.30487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52368	0.7
57.48111	0.8
59.01253	9.5
60.01572	1.0
61.98705	100.0
69.60148	5.5
71.01255	2.4
73.02840	0.9
85.02841	0.9
88.70831	0.8
90.95174	0.8
93.03322	1.9
97.02863	1.1
101.02328	1.6
108.02017	0.9
121.02840	3.0
124.04182	0.9
125.02364	0.8
155.10652	1.2
177.15613	0.9
180.11186	0.9
206.16249	0.9
226.06308	1.1
227.06995	2.0
241.08629	3.6
242.09508	7.0
251.25082	0.9
257.11804	74.4
258.12158	7.3
296.21500	0.9
455.62241	0.9
569.22107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
70.39081	1.1
70.39459	1.2
78.95774	65.1
88.84018	0.6
94.10329	0.7
96.96838	14.6
103.78651	0.6
150.97932	0.8
152.99487	63.9
153.99796	0.8
180.75227	0.6
223.00127	1.7
241.01149	34.7
242.01331	0.8
255.23265	79.5
256.23596	6.7
315.04807	11.0
391.22498	5.4
571.28851	100.0
572.29138	16.1
576.71289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03327	16.8
59.01253	42.6
61.98692	2.4
63.15211	0.8
69.03332	7.4
71.01255	18.3
71.04890	3.1
72.02039	2.1
72.99178	0.8
73.02817	12.0
83.01275	4.7
83.04891	2.4
85.02813	3.4
85.06475	2.3
87.00736	1.0
87.04362	0.7
89.02316	3.6
95.04897	1.1
96.04114	0.7
96.35609	0.6
96.95884	2.1
97.02827	1.7
97.06480	2.1
98.20561	2.2
99.00751	1.8
99.04410	1.8
99.08037	4.2
99.14729	0.7
101.02327	12.5
101.05966	19.8
101.09561	0.7
102.73679	0.7
105.06941	0.9
109.06491	2.4
111.08060	1.5
113.02329	5.8
115.07518	0.9
119.03422	1.1
121.10121	12.1
123.08064	1.6
125.02381	1.4
125.06020	0.9
127.07534	2.7
129.09111	11.1
131.03360	1.2
137.02335	0.7
137.09648	4.3
138.06741	1.8
139.11185	6.7
161.04469	3.1
163.11177	4.6
165.09108	1.0
165.12779	1.2
167.10686	2.1
168.11415	3.4
181.12190	0.8
181.15895	2.7
183.13837	24.3
184.14148	1.7
185.00851	3.2
185.11780	2.4
189.12798	1.2
191.14343	1.7
197.15422	4.3
205.15935	2.3
207.14046	0.7
209.15417	9.4
210.15712	1.0
223.17032	1.0
229.15884	1.0
231.17465	1.4
249.18546	6.9
267.19662	8.0
279.23312	3.0
283.35144	0.7
288.97903	0.7
305.21313	1.6
307.22791	7.1
308.23178	0.8
311.18765	0.9
325.23846	16.9
325.27563	1.4
326.24203	2.2
333.20731	2.4
335.18521	2.0
348.17377	0.8
351.21808	16.2
352.22366	1.1
369.22809	100.0
370.23141	12.1
375.21591	0.8
393.22845	2.4
411.24097	1.2
468.70120	0.8
477.23346	0.8
513.30780	6.4
514.31122	1.4
531.31592	2.5
573.29462	4.9
574.29584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
55.43122	0.4
57.03321	2.5
58.00468	2.3
59.01250	100.0
60.01585	1.1
69.03334	1.4
71.01254	49.7
71.04910	0.6
72.01604	0.7
72.99186	3.3
73.02820	17.7
75.00757	1.4
81.03332	0.8
82.13964	0.4
83.01258	5.7
84.02036	0.5
85.02823	12.9
87.00758	2.2
89.02318	38.6
90.02670	0.8
95.01259	4.6
97.02846	1.0
99.00785	1.3
99.04398	0.5
101.02324	32.8
102.02644	0.7
108.23401	0.4
109.02863	0.8
111.00774	0.6
112.40035	0.5
113.02332	28.6
114.02661	0.6
119.03389	15.7
121.02873	0.5
123.00810	0.6
123.04391	0.8
125.02342	7.0
131.03371	3.5
133.02962	0.6
135.04419	0.8
137.02406	1.4
139.00269	0.5
141.01843	1.2
143.03421	4.3
149.04495	2.8
151.00330	0.6
151.03938	0.7
153.01932	0.6
155.03378	0.6
161.02382	1.2
161.04451	7.9
162.04854	0.5
164.00978	1.0
165.01869	0.9
167.03444	0.6
171.44234	0.4
175.03879	1.0
177.01880	1.4
179.04018	0.7
179.05530	5.8
187.02493	0.5
191.05481	0.5
199.03850	0.5
201.01787	0.5
217.01564	0.4
217.04942	0.6
217.63582	0.4
221.06720	0.6
285.04074	0.4
287.05655	1.1
303.05148	1.7
317.21240	1.2
335.22256	2.9
345.80441	0.5
353.23499	1.9
449.08942	0.5
451.26733	0.4
497.27975	1.0
515.28778	1.7
575.13641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65082	0.8
55.01753	1.6
57.03326	10.3
58.00474	1.5
58.72691	0.8
59.01252	100.0
60.01595	1.3
61.01654	1.0
61.98703	9.3
66.26656	0.8
69.03323	5.6
71.01255	30.2
71.04874	2.2
72.99179	1.9
73.02818	13.0
75.00733	1.9
81.03313	0.9
83.01254	4.0
83.04904	2.1
85.02821	12.4
85.06419	1.2
87.00744	3.4
87.04398	11.9
89.02319	9.5
93.03313	1.3
95.01242	2.2
95.04886	1.3
97.02827	3.0
97.06466	4.0
99.00736	3.0
99.04407	1.2
99.08033	2.4
101.02319	18.9
101.05957	1.3
107.08559	1.1
108.02035	1.5
108.45044	0.8
109.02860	1.6
109.06476	1.8
111.08062	2.8
113.02331	14.7
113.05997	1.4
113.09622	1.4
119.03406	4.1
122.03670	0.9
123.04374	4.1
123.08025	3.2
125.02324	1.6
125.05940	1.8
125.09573	1.8
127.11150	2.3
129.09065	2.1
131.03391	2.0
135.04398	1.1
137.06018	1.3
137.09657	4.6
139.11165	2.4
141.01857	0.9
143.03404	2.7
143.10638	3.4
149.09570	1.7
151.07507	6.0
153.09161	1.9
155.10701	4.3
157.12302	2.0
158.75935	0.9
161.04494	6.2
161.05598	1.2
163.07533	2.0
163.11166	1.7
165.09126	0.9
167.10660	3.7
169.12251	3.1
169.28270	1.0
173.04446	2.4
179.05643	1.5
181.12256	3.8
183.10173	2.3
185.00865	2.4
187.13287	2.5
191.05527	1.5
195.13792	0.9
201.14777	2.1
203.01764	0.9
209.28853	0.9
213.11201	0.9
213.14854	1.9
215.16362	2.6
216.13542	1.4
223.06006	0.9
224.48206	0.8
243.16005	2.1
245.17595	4.0
249.18622	1.0
249.43349	0.8
283.22723	1.3
311.22253	1.3
323.22211	2.1
325.23874	1.2
327.25400	17.9
328.25702	1.2
335.22311	1.1
353.23511	4.1
371.24362	77.9
372.24713	10.0
385.21948	1.3
385.26202	1.5
395.24377	11.4
396.24884	1.8
407.23926	1.6
425.25464	3.2
437.25717	4.1
445.23920	1.1
457.24509	1.0
467.26382	1.6
485.27420	3.3
497.27582	1.2
503.28378	2.3
515.28473	11.1
516.28937	1.5
531.28156	1.5
533.29572	5.4
545.29150	1.2
575.17719	1.6
575.31061	12.3
576.32867	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	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	13.1
59.43039	0.4
59.79353	0.5
61.98696	0.5
71.01263	2.7
71.51644	0.7
76.81653	0.5
78.03451	0.5
88.55346	0.5
89.02311	2.4
98.72959	0.5
101.02320	2.6
104.50743	0.5
113.02335	1.1
119.03408	1.0
125.02350	0.6
209.11784	1.9
216.52173	0.5
235.08189	1.6
253.09282	13.4
254.09415	0.6
279.23300	100.0
280.23645	11.5
291.19693	2.3
325.46509	0.6
431.04153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.6
61.98736	0.3
64.41241	0.4
70.53517	0.3
71.01250	2.5
73.02815	0.8
83.01253	0.6
85.02818	0.6
87.00719	0.4
89.02316	2.5
95.01256	0.5
95.07737	0.3
96.42674	0.4
101.02316	2.6
108.09258	0.3
113.02319	1.3
119.03377	0.9
161.04469	1.2
179.05432	0.4
194.45505	0.3
209.89758	0.4
235.08177	1.7
236.08611	0.5
253.09268	15.4
254.09589	0.8
261.22165	0.4
279.23288	100.0
280.23621	9.9
361.90280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.4
61.01693	0.2
61.98703	100.0
62.98417	0.2
69.67734	0.2
70.13488	0.6
71.01258	0.4
78.98455	0.2
80.96389	2.8
84.37508	0.2
94.97967	0.6
95.11549	0.2
101.02282	0.2
101.87734	0.2
134.97615	0.2
141.79033	0.2
161.30687	0.2
164.98535	0.4
184.16885	0.2
192.54311	0.2
225.00766	0.6
233.60382	0.2
255.09886	0.2
277.21802	0.5
278.22083	1.1
279.22443	0.6
280.22772	0.3
354.81973	0.2
442.32001	0.2
577.26855	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00139	0.2
59.01245	0.3
61.98703	100.0
62.98416	0.2
66.32236	0.2
70.90281	0.4
74.13754	0.2
80.96422	0.4
89.70637	0.2
254.10001	0.2
277.21887	0.5
278.22253	0.6
279.22504	0.4
304.91248	0.2
577.27283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.1
60.01575	0.3
62.96303	0.4
69.90901	1.0
69.91308	0.5
71.01237	0.7
78.95778	29.1
83.04890	0.3
85.72517	0.4
88.13445	0.3
96.96858	0.5
97.06475	0.3
122.98439	0.5
134.98505	0.3
152.99480	4.0
168.04214	4.7
169.42331	0.3
169.53224	0.3
169.74203	0.4
186.91295	0.3
224.06891	11.3
242.07957	2.9
259.20663	0.5
275.20361	0.4
277.21722	100.0
278.22034	8.7
332.39758	0.3
362.76590	0.4
502.29425	68.8
503.29779	11.1
589.65302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	20.1
70.64414	0.5
71.01261	0.3
78.95776	7.1
96.96849	0.2
127.07526	0.2
152.99467	1.7
168.04204	2.0
178.88246	0.2
182.31070	0.1
198.34119	0.1
224.06905	1.0
233.22690	0.4
242.07961	3.6
242.10413	0.2
259.20715	0.4
275.20193	0.4
275.22989	0.1
277.21707	100.0
278.22049	10.3
327.80643	0.2
393.91373	0.1
409.51370	0.1
420.83405	0.2
490.68924	0.2
502.29388	29.6
503.29706	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.135
Annotation	Procyanidin B5
Peak:m/z	Relative Intensity
54.42869	0.8
57.03326	12.3
65.03815	0.8
71.10143	1.6
75.54350	0.7
77.31898	0.7
81.03320	1.5
83.01252	2.5
93.03357	1.0
95.04895	1.9
97.02847	3.5
107.04927	0.9
109.02842	15.5
118.45637	0.7
121.02836	2.7
122.03635	1.0
123.04412	10.8
125.02339	100.0
126.02668	3.1
130.03322	0.7
133.02863	3.7
135.04419	1.8
137.02347	16.0
139.03908	2.7
145.02826	1.4
146.03680	0.8
147.04420	1.4
149.02370	3.6
150.03105	1.7
151.03925	11.0
159.04436	2.1
160.05203	1.5
161.02356	26.8
161.05963	2.7
162.02943	1.6
163.00334	1.9
163.03938	2.2
164.01042	2.6
165.01834	4.1
166.85298	0.7
167.03369	1.4
172.56528	0.7
173.05765	0.9
175.03926	9.5
175.07520	1.5
177.01891	5.4
177.05435	0.8
178.02574	0.9
179.03398	4.8
183.04492	0.9
187.03894	5.4
188.04689	2.9
189.05392	1.1
191.03366	0.9
199.03854	0.9
199.07433	0.9
202.06245	1.9
203.03442	1.3
203.07066	8.4
205.01387	2.8
205.05002	6.8
211.03923	1.2
212.04602	0.9
213.05525	1.2
215.03441	0.9
217.04869	1.4
221.08173	1.5
225.05606	0.9
227.03455	1.7
227.07143	2.1
228.04305	1.2
229.04962	2.7
230.05592	1.2
231.02998	1.5
231.06439	1.0
243.03000	2.7
244.03589	0.9
245.04463	5.5
245.08107	10.2
246.08386	0.9
247.06091	1.3
253.05011	1.0
255.02983	9.1
255.05673	1.1
256.03680	3.5
257.04419	2.1
263.49371	0.9
269.04553	2.0
273.04025	6.2
281.04462	3.8
283.02374	1.5
285.04224	1.4
287.05603	11.0
289.07172	77.2
290.07571	7.6
297.04059	1.0
299.05576	8.1
300.05975	0.9
329.06543	1.2
339.08749	4.2
381.09775	1.9
407.07715	74.2
408.08057	9.9
409.38583	0.8
421.99426	1.0
425.08771	26.9
426.09030	2.7
451.10269	15.6
452.10806	3.3
501.93915	0.9
559.12811	1.3
577.13605	6.1
578.13519	1.5
592.89471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	16.0
58.03653	0.5
59.01245	0.9
61.98693	0.3
65.03826	0.4
69.03345	0.5
70.64200	0.8
70.64594	0.8
71.01244	0.5
74.28132	0.4
76.40778	0.3
76.86379	0.4
80.02488	0.3
81.03326	2.0
83.01256	4.1
85.02821	0.7
89.03893	0.4
93.03349	2.4
95.01269	0.8
95.04895	1.9
97.02830	3.1
98.96521	0.4
105.03323	0.4
107.04907	1.1
108.01215	0.4
108.02026	0.4
109.02836	14.2
110.03133	0.6
111.00774	0.6
117.03352	0.5
117.90587	0.4
119.04942	0.7
121.02833	3.0
122.03598	1.2
123.00665	0.5
123.04414	11.1
124.01571	0.6
124.04790	0.5
125.02335	100.0
126.02680	3.2
131.04886	0.5
133.02850	3.8
133.06439	0.4
135.00772	0.5
135.04416	1.6
137.02341	18.1
138.02960	0.6
139.00201	0.4
139.03911	2.5
143.04953	0.5
145.02809	1.0
146.03607	1.0
147.04422	0.9
149.02322	4.2
150.03093	0.9
151.03917	10.2
152.04303	0.4
157.06511	0.6
158.03624	0.5
159.04398	2.4
160.05109	0.5
161.02354	21.1
161.05960	2.4
162.02873	2.1
163.00322	2.1
163.03934	3.2
164.01068	4.0
165.01884	3.9
167.03403	1.6
171.04497	0.5
173.04512	0.9
173.05960	0.8
174.03134	0.8
175.03944	7.0
175.07538	0.9
176.01082	0.7
177.01859	4.9
178.02441	0.7
179.03410	3.3
185.05981	1.1
187.03929	5.3
188.04691	2.1
189.01900	0.5
189.05466	1.1
191.03493	0.7
191.05515	1.0
199.03896	0.7
201.05522	1.4
202.06383	0.8
203.03485	1.8
203.07066	7.5
205.01392	2.0
205.04996	4.7
211.03964	0.5
212.04697	0.5
213.05600	0.9
214.02483	0.4
215.03455	1.2
215.06946	0.5
217.04947	2.2
217.08664	0.7
219.03021	0.6
219.06619	0.6
221.08200	1.2
225.05533	0.6
227.03500	1.1
227.07089	1.3
228.04340	0.6
229.05031	2.6
230.05763	0.6
231.02914	1.0
239.03625	0.4
241.05055	0.5
243.02972	2.2
243.06570	1.1
244.03674	0.4
245.04533	3.1
245.08174	8.1
246.08481	0.9
247.06104	1.0
253.04973	0.6
255.02948	4.3
256.03665	2.6
257.04486	1.5
269.04562	1.4
271.06119	1.0
273.04099	3.3
273.07104	0.5
281.04480	2.1
282.01926	0.6
283.02573	0.8
285.04065	2.0
287.05634	6.0
288.05719	0.5
289.07178	38.7
290.07419	3.1
297.03970	0.7
297.07785	0.6
299.05643	5.0
305.06558	0.8
329.06653	1.2
331.08353	0.4
339.08728	1.9
381.09735	1.0
407.07693	29.2
408.08047	3.3
425.08719	10.1
426.09082	1.4
446.83698	0.4
451.10287	7.2
452.10788	0.5
496.29852	0.4
559.12317	0.7
577.13464	5.6
578.13678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1349
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
54.20502	0.7
57.03323	10.9
69.45029	2.2
69.45437	3.0
81.03314	1.2
83.01252	4.7
93.03320	1.4
95.04920	2.0
95.13824	0.9
97.02839	2.6
108.02072	1.1
109.02831	16.9
115.50146	0.7
121.02854	2.4
122.03652	1.2
123.04408	13.1
123.50888	0.7
125.02334	100.0
126.02654	3.5
131.04861	0.7
133.02820	2.7
135.04431	2.0
137.02338	20.0
137.03331	1.5
139.03876	3.4
145.02847	1.0
146.03606	1.8
147.04401	1.0
149.02353	5.5
150.03180	1.2
151.03880	11.1
159.04465	2.3
160.05156	0.7
161.02356	25.5
161.06018	3.4
162.03098	2.2
163.00183	1.2
163.03932	2.2
164.01056	4.2
165.01833	6.2
167.03427	2.0
173.05992	1.4
174.03140	0.9
175.03928	10.7
175.07503	0.9
177.01846	5.9
177.05515	1.6
178.02644	1.7
179.03403	5.4
185.06047	1.5
187.03871	6.3
188.04732	3.0
189.05505	0.9
191.03383	1.1
193.04874	0.8
201.05559	1.9
202.06245	2.0
203.03479	1.3
203.07091	10.1
204.07230	0.9
205.01367	3.4
205.04964	7.6
211.04022	1.4
212.04762	0.9
213.05499	1.1
215.03447	1.3
217.05046	2.6
221.08267	1.9
225.05473	1.0
227.03426	2.5
227.06976	1.0
228.04250	1.7
229.04955	4.6
230.05817	1.2
231.03065	1.1
241.05040	0.9
242.05853	0.7
243.02960	3.0
243.06613	1.5
245.04471	5.9
245.08156	14.4
245.10007	0.5
246.08563	1.3
247.06100	1.7
253.05060	1.8
255.02940	8.7
256.03677	5.4
257.04422	2.1
269.04596	2.5
271.06015	2.0
271.09192	0.9
273.03949	4.8
274.04529	1.1
281.04462	4.3
282.01801	1.2
282.04977	0.9
283.02621	2.5
285.04041	4.7
287.05627	8.8
289.07162	73.3
290.07526	4.6
297.03909	1.7
299.05545	6.8
315.08536	1.0
329.06921	1.6
339.08777	4.6
340.08896	1.1
341.06308	0.8
381.09802	2.8
393.10001	1.2
407.07703	68.2
408.07941	8.4
425.08746	21.9
426.08990	2.5
439.10648	0.9
451.10327	13.2
452.10880	1.5
467.10266	1.0
577.13464	7.8
578.13562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1351
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03323	17.2
69.03323	0.8
69.63424	4.2
80.45994	0.6
81.03339	2.1
83.01263	5.8
93.03336	3.0
95.04912	2.5
97.02838	4.2
105.03330	0.6
107.04905	1.7
108.02072	1.6
109.02841	19.8
110.03219	1.0
117.03316	1.3
121.02849	4.8
122.03605	1.0
123.00781	0.7
123.04414	14.9
124.01576	0.8
125.02336	100.0
126.02684	4.5
133.02841	4.6
134.14424	0.7
135.04419	2.8
136.01553	0.7
137.02347	22.0
139.03926	4.2
145.02867	0.9
146.03651	1.4
147.04427	1.5
149.02359	6.4
150.03143	1.7
151.03923	14.1
159.04405	3.9
160.05228	1.4
161.02350	28.4
161.03719	1.4
161.06006	4.3
162.03050	3.0
163.00325	2.4
163.03915	4.0
164.01054	4.4
165.01817	5.1
167.03395	1.5
172.27379	0.6
173.05998	1.2
174.03090	1.0
175.03922	9.8
175.07504	2.0
177.01842	6.5
177.05504	1.7
179.03426	4.4
185.06067	0.6
187.03934	8.1
188.04704	3.7
188.06206	0.6
191.03554	0.9
193.05058	0.7
197.06003	0.7
197.99704	0.6
199.04030	1.2
201.05557	1.1
202.06308	2.0
203.03403	2.1
203.07091	12.0
205.01402	2.9
205.05023	10.6
211.03981	1.1
212.04684	1.4
213.05553	1.2
215.03410	1.3
217.05029	1.5
219.03011	1.0
221.08099	2.2
225.05467	1.3
227.03510	2.5
227.07123	2.7
228.04198	1.1
229.04953	3.3
230.05685	1.1
231.02939	1.9
231.06474	1.0
243.02957	2.6
243.06633	1.1
245.04535	4.1
245.08147	13.6
246.08366	0.7
247.06187	1.2
253.04958	0.8
255.02969	9.0
256.03732	6.1
257.04468	1.7
269.04572	2.1
271.06076	0.7
273.03922	3.5
281.04581	4.7
283.02472	2.2
284.03058	0.8
285.03940	3.2
287.05643	5.4
289.07178	47.8
290.07550	5.5
297.04257	1.0
299.05682	4.2
329.06564	1.1
339.08646	3.2
381.09830	2.5
389.06390	1.2
407.07712	41.9
408.08081	6.8
425.08813	11.5
426.08972	1.8
451.10379	7.4
452.10858	0.8
577.13556	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	577.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54436	0.7
55.01749	1.9
56.95086	0.6
57.03327	5.7
57.17401	0.7
58.00465	1.4
58.18686	0.8
59.01253	100.0
60.01575	2.1
61.98700	14.1
62.42202	0.6
64.82685	0.7
69.03318	3.6
71.01254	29.2
71.04888	1.5
71.52716	1.0
71.53101	1.0
72.99175	2.2
73.02821	16.2
74.03161	0.9
75.00755	1.8
79.70363	0.7
83.01274	4.8
85.02824	12.0
87.00757	4.2
87.04398	2.1
89.02316	11.2
93.03313	1.4
95.01260	1.8
96.95876	1.3
97.02821	3.2
97.06461	2.6
99.00756	3.2
99.04392	1.7
101.02325	20.5
109.02837	1.8
109.06525	0.9
111.00790	1.7
111.08026	1.9
113.02335	14.9
113.09618	1.0
115.07530	0.8
118.25090	0.8
119.03394	3.7
119.04856	0.8
123.04414	1.0
123.08024	2.4
125.02339	9.6
125.09589	1.2
131.03400	3.0
134.06128	0.9
135.04407	4.4
137.02341	2.1
137.04741	0.7
137.09628	1.5
139.11183	1.1
141.09081	1.2
143.03394	2.7
143.10686	1.0
147.24686	1.0
149.04451	2.0
149.06000	1.1
149.09650	1.2
151.00296	1.7
151.03946	1.4
151.07607	0.8
153.12773	8.4
155.10666	2.9
157.12201	1.0
161.02354	2.6
161.04443	5.5
165.01790	1.0
166.20502	0.8
167.03345	0.8
167.10689	1.9
171.10143	1.0
173.04451	2.4
178.99788	6.6
179.03381	1.4
179.05516	1.9
179.10741	2.4
185.07259	1.7
185.11758	3.3
191.05533	3.7
197.11752	15.8
198.12077	1.0
215.12820	1.3
229.05214	0.9
233.06631	1.9
239.20110	0.9
242.09302	0.9
255.02817	1.1
269.21213	2.5
270.21576	1.9
271.02423	1.7
271.21658	1.0
276.71698	0.8
289.07141	2.5
293.08737	1.5
297.20670	0.9
299.02008	1.9
300.02502	1.2
313.20300	1.9
314.20682	1.9
315.05222	1.0
315.20956	2.1
337.23959	1.6
353.08804	1.3
355.21182	1.5
355.24966	7.7
355.33899	0.8
356.25150	1.0
369.22601	0.8
371.24420	2.4
372.24780	5.4
373.16516	5.3
373.25900	52.2
374.16769	0.9
374.26251	5.5
379.25781	0.9
397.26144	1.0
403.23083	1.1
407.07678	2.8
415.13852	1.4
415.27075	1.2
457.28046	1.4
459.26080	2.0
487.29202	3.9
491.28290	1.4
499.29153	1.1
505.30502	1.5
517.30084	18.5
518.30621	2.2
535.31226	10.3
536.31683	1.6
559.30670	1.4
577.15869	2.0
577.32269	36.5
578.32819	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.1
59.82420	0.2
62.14371	0.2
63.96103	0.6
69.03323	0.3
70.54318	0.8
71.01250	3.9
73.02816	1.2
78.95776	5.5
78.98469	3.2
79.46516	0.2
79.95603	5.3
80.96391	37.3
81.03321	0.4
85.02826	1.6
87.00748	1.2
91.03871	0.3
94.97961	9.0
96.95897	0.5
97.02824	0.8
99.00777	0.3
101.02330	1.5
106.97974	1.7
110.02137	0.2
113.02311	0.3
122.97481	2.7
125.02333	1.7
127.03927	0.6
134.97470	2.4
136.99016	0.5
148.99052	3.1
152.98514	3.2
152.99553	1.1
164.98546	6.1
168.04199	1.3
182.99608	1.0
188.98489	0.2
206.99632	1.2
224.06888	0.7
225.00697	8.7
226.00958	0.2
242.07991	2.5
243.01781	0.7
261.22205	0.5
263.38544	0.3
277.21661	1.0
279.23285	100.0
299.04501	1.2
314.32431	0.2
386.15677	0.2
411.02042	0.2
504.30975	33.2
577.26862	52.1
578.27209	8.3
578.36469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01251	2.0
59.96484	0.4
61.98705	15.4
63.96109	1.5
64.30766	0.4
70.43677	1.2
71.00893	0.8
71.01254	7.3
73.02820	1.7
78.95786	2.0
78.98460	6.2
79.82424	0.4
79.95612	10.8
80.96392	72.6
81.03329	0.7
83.01278	0.6
85.02834	2.9
87.00742	2.9
94.97961	16.4
96.95895	1.3
97.02837	1.7
101.02322	2.8
106.97957	2.9
109.02848	0.5
122.97486	3.9
125.02354	4.1
127.03919	0.8
134.97482	5.2
136.99036	1.4
140.01085	0.5
148.99040	6.3
152.98550	5.6
161.02354	0.6
164.98549	13.6
167.00171	0.6
206.99619	2.3
225.00717	13.4
277.21643	1.9
279.23297	5.8
289.07114	0.7
298.25339	0.4
299.04434	3.3
348.26697	0.5
379.28555	3.3
380.28830	6.1
504.31155	1.9
577.26862	100.0
578.27179	15.6
578.36505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
56.30779	0.2
57.03324	3.7
57.54388	0.2
58.00471	2.3
58.29136	0.2
59.01252	100.0
60.01580	1.1
60.33557	0.2
61.98689	0.2
64.54510	0.2
67.01775	0.3
69.03325	1.5
69.65053	0.8
71.01255	43.8
72.01590	0.7
72.01979	0.2
72.20334	0.2
72.99178	2.9
73.02819	9.2
75.00726	0.4
81.03346	0.4
83.01254	4.5
85.02824	12.6
86.03167	0.2
87.00763	2.6
89.02319	31.5
90.02676	0.4
93.03351	1.4
95.01264	4.2
95.04896	0.6
96.01552	0.3
96.95885	1.8
97.02837	1.7
98.02361	0.3
99.00773	1.7
99.04424	0.3
101.02323	22.6
101.82436	0.2
102.02678	0.5
102.98450	0.7
107.04937	0.2
108.02020	0.3
109.02835	2.9
110.03143	0.3
111.00783	0.4
111.04380	0.3
112.01550	0.2
113.02333	29.2
114.02673	0.9
117.03366	0.3
119.03394	11.8
121.02822	0.5
122.03584	0.3
123.04397	2.0
124.01592	0.3
125.02338	20.7
126.02682	0.7
131.03397	1.9
132.04460	1.6
133.02841	0.7
134.06020	1.1
135.04454	1.4
137.02348	4.4
137.09572	0.2
138.02654	0.3
139.00264	0.3
139.03896	0.7
143.03404	4.4
147.04424	0.2
149.02376	0.9
149.04446	1.3
150.03021	0.2
151.00299	0.4
151.03896	1.7
155.03418	0.3
155.10661	0.7
159.02983	0.3
159.04414	0.5
161.02371	4.8
161.04462	6.7
161.05951	0.7
161.63806	0.2
162.03073	0.6
163.00230	0.3
163.03941	0.5
164.01021	0.7
165.01804	0.9
167.03394	0.4
173.04515	1.8
173.05876	0.4
175.03922	1.2
175.07462	0.3
176.03448	0.2
177.01868	1.0
178.99835	0.3
179.03438	2.1
179.05519	5.9
185.00813	0.5
185.06013	0.3
187.03961	1.2
188.04707	0.5
190.05022	0.4
191.05510	1.0
199.07663	0.2
199.09637	0.7
203.03197	0.3
203.07109	1.4
205.01425	0.5
205.04958	0.9
213.05479	0.3
214.02652	0.2
215.07043	0.3
217.05074	0.4
219.03049	0.2
221.08226	0.3
227.03383	0.3
227.07068	0.3
229.05034	0.3
231.02940	0.2
241.05000	0.6
242.05815	0.4
243.02931	0.3
243.06432	0.2
245.04498	0.5
245.08200	1.9
246.08614	0.3
251.11850	0.3
255.02905	1.1
256.03693	0.5
257.04440	0.3
257.08109	0.8
269.04541	0.3
271.06125	0.3
273.04044	0.7
279.11349	0.5
285.03918	0.8
287.05630	1.4
288.03030	0.3
288.06067	0.5
289.07172	9.6
290.07504	0.8
295.10864	0.2
299.05579	1.1
314.12494	0.3
323.10629	0.4
329.06625	0.5
339.08801	0.6
353.08994	0.4
354.00638	0.3
355.21158	1.2
372.01645	0.3
373.15533	0.3
373.22043	0.7
381.09521	0.2
407.02179	0.3
407.07660	7.1
408.07974	1.6
425.08731	2.4
426.08844	0.3
436.68280	0.2
451.10242	1.4
452.10745	0.4
457.20889	0.3
475.21780	0.5
477.18530	0.3
487.22000	0.3
501.18643	0.9
502.19086	0.2
517.26508	32.7
518.26849	5.3
518.53735	0.2
535.27588	19.5
536.28070	3.9
545.17822	4.1
546.18024	0.8
577.13837	0.7
577.28253	1.1
595.43909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03326	3.7
58.00470	1.9
59.01252	100.0
60.01589	1.3
61.98724	0.6
67.01775	0.3
69.03326	1.5
71.01255	42.7
71.53429	0.3
72.01602	0.6
72.79761	0.3
72.99184	2.8
73.02824	8.6
81.03317	0.7
83.01263	3.8
85.02826	12.2
85.35524	0.3
85.79404	0.3
86.03136	0.3
87.00758	2.7
89.02321	31.9
90.02663	0.5
93.03352	1.5
95.01263	3.4
95.04919	0.4
96.95884	2.6
97.02834	1.6
98.02329	0.3
99.00760	2.2
101.02323	20.1
101.58555	0.3
102.02658	0.5
102.98446	1.1
107.04903	0.4
109.02835	3.1
111.00746	0.6
111.04372	0.5
113.02333	26.5
114.02650	0.7
115.03927	0.3
119.03390	11.9
121.02773	0.7
122.03590	0.3
123.04414	2.4
124.01559	0.3
125.02337	21.1
126.02632	0.8
129.01843	0.3
131.03403	1.9
132.04414	0.6
133.02771	0.4
135.04359	1.2
137.02339	4.5
139.00220	0.9
139.03842	0.7
141.01695	0.4
143.03395	3.6
146.03612	0.3
149.02415	1.3
149.04373	1.2
150.03104	0.4
151.00139	0.3
151.03931	2.0
153.08902	0.4
155.03317	0.6
155.10585	0.6
159.02965	0.3
159.04344	0.6
161.02388	5.1
161.04378	6.8
161.05893	1.0
162.02988	0.4
162.04659	0.4
163.00337	0.3
163.03844	0.7
164.00972	0.9
165.01724	1.1
167.03365	0.5
173.04491	2.6
174.03059	0.3
175.03799	1.2
177.01797	0.8
179.03500	1.8
179.05519	5.4
179.65863	0.3
185.00739	0.7
185.05908	0.5
187.03847	1.2
188.04523	0.5
191.05504	1.6
199.09599	0.6
201.05449	0.5
203.03287	0.4
203.07091	1.5
205.01213	0.6
205.05009	1.4
217.04871	0.3
243.02803	0.6
245.04323	0.9
245.08145	1.5
247.05916	0.4
255.02766	0.9
256.03571	0.6
273.03784	0.9
279.11246	0.6
281.04333	0.4
285.03769	0.6
287.05289	1.2
288.05869	0.3
289.07169	8.4
290.07269	1.1
297.03915	0.3
299.05295	0.7
323.09940	0.3
333.43149	0.3
353.08533	0.4
355.20758	0.9
373.21808	0.5
381.09247	0.4
407.07666	6.9
408.07275	1.0
410.49173	0.3
425.08777	2.6
451.10345	1.4
475.21390	0.7
493.22495	0.3
517.26526	27.0
517.37646	0.8
518.26843	4.8
530.68213	0.4
535.27618	17.0
535.35083	0.7
536.27954	3.1
545.16553	1.9
546.17505	0.5
577.12622	1.1
577.27808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
55.17776	0.4
57.03328	2.0
58.00452	0.6
59.01253	100.0
60.01589	1.6
61.98710	3.0
69.03339	1.0
71.01256	15.5
71.04917	0.4
71.39678	0.4
72.01606	0.4
72.99178	1.1
73.02824	5.5
75.00761	1.2
79.05421	0.4
81.03318	0.4
83.01267	3.3
83.04903	0.4
85.02828	7.4
87.00744	2.0
87.04398	1.2
89.02317	4.4
95.01274	1.7
95.04865	0.6
97.02838	1.0
97.06498	0.7
99.00775	1.7
99.04411	0.5
101.02325	10.0
107.01264	0.4
107.04940	0.4
109.02832	0.8
111.00772	1.1
111.04407	0.4
111.08030	0.4
113.02338	8.1
114.02700	0.4
119.03394	1.4
123.04414	0.6
123.08038	1.4
124.01631	0.4
125.02337	3.7
128.03371	0.4
129.01808	0.6
131.03398	0.4
135.04442	1.4
137.02309	1.4
141.12756	0.5
143.03395	1.7
143.04420	0.4
151.03935	0.5
152.08258	0.3
158.65959	0.3
159.02879	0.7
161.02361	1.2
161.04453	1.9
171.10257	0.6
171.13867	0.7
173.04482	1.8
175.03877	0.4
177.05336	0.3
179.03436	0.5
179.05591	0.7
191.05559	1.4
203.07094	0.5
226.06441	0.5
241.08609	0.6
245.08192	0.4
255.02986	0.4
277.19110	0.5
277.21634	2.4
289.07272	1.5
295.22797	1.5
313.23822	0.4
329.16006	0.6
337.23923	0.6
353.08847	0.6
355.24918	1.8
356.25558	0.4
373.16403	0.7
373.25977	4.6
374.26205	0.8
403.23480	0.5
407.07770	1.0
417.72507	0.4
421.25751	1.4
439.27014	4.3
440.27112	0.9
457.28137	6.4
458.28372	0.7
459.26041	0.6
473.31259	0.7
475.29114	3.2
476.29611	0.4
477.27634	0.4
499.28970	1.3
517.30090	12.0
518.30206	1.9
535.23883	0.7
535.31262	8.2
536.31586	1.2
559.31097	1.0
577.32294	82.8
578.32678	14.2
578.41895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.0
57.03326	4.3
58.00467	2.6
58.04544	0.8
59.01253	100.0
60.01566	3.1
61.98705	11.2
66.05706	0.8
69.03325	2.1
71.01255	43.5
71.04906	1.7
72.01572	1.7
72.99180	3.7
73.02820	17.1
74.97112	0.8
75.00744	1.0
79.05401	2.2
81.03307	1.3
83.01265	6.7
83.04876	0.8
85.02824	19.2
86.03114	0.9
87.00732	4.8
87.04395	2.3
89.02319	19.1
93.03353	1.8
95.01250	3.9
95.04890	1.2
97.02842	1.9
97.06478	2.7
99.00747	3.3
101.02327	27.5
102.02653	1.0
108.01778	0.7
109.02857	1.2
111.00777	2.7
111.08024	1.1
113.02335	29.7
114.02628	1.4
115.03844	1.1
118.01972	0.8
119.03399	7.9
124.01544	1.2
125.02309	4.3
125.05957	1.3
129.01871	0.8
131.03403	1.7
135.04424	1.5
137.02350	1.7
137.09541	1.2
139.11162	1.2
139.43431	0.7
143.03383	4.9
149.04446	1.4
151.03864	1.1
155.10674	1.4
159.02905	1.4
160.17076	0.7
161.04466	6.8
165.09149	0.8
169.12177	0.9
173.04437	2.5
177.86732	0.7
179.03499	0.7
179.05502	4.9
191.05539	1.5
201.15010	1.2
217.14406	1.2
251.20134	0.9
280.22751	2.1
289.12967	0.9
292.22974	1.6
313.23825	0.9
320.23041	1.1
330.14084	1.2
330.26450	4.3
337.23889	2.1
338.24155	4.1
339.25409	1.2
355.24905	5.3
356.25287	10.4
357.26462	12.4
362.10260	1.0
373.26025	2.0
374.16861	1.7
374.26053	4.1
375.18124	1.1
375.27469	6.9
399.26749	1.0
431.50327	0.8
457.28421	0.9
460.26367	2.1
474.30722	14.8
475.30615	2.6
478.27560	1.0
482.28400	1.4
488.29388	1.5
489.30823	1.5
492.31787	23.8
493.21436	0.9
493.31979	3.9
500.29947	0.9
501.30658	1.0
517.30280	1.9
518.24017	1.2
518.30621	13.8
519.31738	55.5
534.32739	3.1
535.31525	1.0
536.31805	5.5
537.32837	15.2
578.14215	1.1
578.32642	3.9
579.34180	8.6
582.83032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.1
69.22369	1.8
71.01251	0.8
73.02811	0.3
77.70724	0.2
78.95779	6.2
78.98476	0.4
79.95605	0.8
80.96393	6.7
82.95969	0.6
85.02830	0.4
94.97960	1.3
97.69280	0.2
106.53832	0.2
106.97970	0.3
122.97444	0.3
125.02364	0.2
127.79821	0.2
134.97400	0.2
148.99052	0.5
152.98492	0.5
152.99582	1.1
164.98553	0.9
168.04218	1.5
224.06862	1.0
225.00618	0.6
226.00859	0.2
242.07939	3.3
261.22165	0.3
279.23288	100.0
280.23627	10.6
345.38364	0.2
359.31281	0.2
362.09042	0.2
379.08887	0.2
456.61520	0.2
504.30975	27.1
505.24435	0.3
505.31335	4.4
578.27222	8.0
579.26837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63353	0.4
59.01251	21.6
61.98678	0.5
68.89541	0.4
69.81917	1.7
71.01262	2.3
78.95776	22.1
78.98451	1.3
79.95599	3.4
80.96393	16.7
81.96348	0.5
82.29114	0.4
82.95979	1.3
85.02833	1.0
87.00790	0.6
94.97957	4.5
97.02857	0.5
101.02322	0.8
102.00085	0.4
106.40794	0.4
106.98006	0.4
111.95496	0.4
122.97482	0.6
125.02328	0.8
134.97466	0.8
143.97874	0.4
148.99066	1.4
152.98465	1.2
152.99532	2.3
164.98531	1.8
168.04207	3.2
224.06889	10.0
225.00723	2.8
226.01105	0.7
242.07942	1.8
261.22104	0.5
279.23288	100.0
280.23636	11.7
280.26749	0.6
388.64474	0.5
504.30975	59.0
505.31256	9.3
578.27197	25.7
578.36554	0.7
579.27161	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	579.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.4
59.00954	2.5
59.01252	45.3
62.17162	1.2
65.00204	2.1
65.18624	1.2
71.01256	20.2
71.39591	2.1
71.60448	1.2
72.99171	1.5
73.02817	6.9
83.01270	3.2
85.02828	8.8
87.00766	2.2
87.04327	1.4
89.02308	10.1
95.01286	2.4
101.02319	15.2
107.01296	1.7
109.99990	10.6
111.00785	6.0
113.02312	8.2
114.10394	1.4
119.03387	5.4
121.06342	1.2
123.00791	1.7
125.02346	2.7
131.93683	1.1
137.99524	6.1
139.00272	13.1
139.03877	1.6
143.03362	2.1
149.02362	3.8
151.00290	4.1
151.03918	1.4
161.04477	3.2
164.01042	1.7
165.98999	17.9
166.99774	2.3
171.04401	2.3
173.13091	1.4
174.03188	1.3
175.00339	2.2
177.99016	2.2
178.99815	7.7
179.05536	1.7
181.47543	1.3
187.03975	1.7
190.27567	1.3
198.03174	2.4
199.03867	2.0
204.23650	1.4
214.02554	1.5
215.03352	3.2
216.04070	1.6
226.02695	2.0
227.03296	2.0
231.02872	4.7
242.02084	3.5
243.02927	7.6
244.03670	2.0
247.25833	1.3
256.72513	1.5
258.01630	2.3
259.02448	8.3
270.01685	4.5
271.02448	19.4
272.03165	4.4
287.02005	57.1
287.05362	3.0
288.02429	7.3
299.02008	2.8
300.02692	2.1
301.03458	2.5
315.01462	26.1
315.05038	0.9
316.02225	64.9
317.02579	5.0
330.03812	24.1
331.04581	100.0
332.04926	9.3
357.26431	2.7
375.27423	6.8
493.10120	3.1
518.30200	1.9
519.31775	34.4
520.31586	2.0
535.10968	91.3
536.11273	15.3
537.32788	16.6
552.62897	1.4
579.34216	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	579.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51543	2.0
57.03329	5.3
57.10332	1.9
59.01250	36.5
61.98713	2.2
65.00195	5.5
67.02156	2.0
69.03323	2.3
71.01261	13.3
71.52702	2.3
73.02821	6.9
83.01247	6.2
83.93944	1.9
85.02823	3.9
89.02303	7.2
99.00764	2.5
101.02327	7.6
107.01252	8.7
113.02338	5.1
115.75274	1.7
124.01529	2.0
125.02344	23.5
135.08005	2.1
136.01575	2.6
137.09590	12.4
151.00279	25.3
152.01070	2.5
155.10690	82.4
161.04326	3.4
163.00285	19.8
164.01086	25.3
174.03178	2.8
178.57375	1.7
178.99792	16.6
181.08641	2.1
193.01395	3.3
199.09688	77.4
200.10010	2.7
212.43802	1.8
215.03461	5.5
218.54263	1.7
219.02902	4.3
241.10800	2.5
243.03009	2.4
244.03732	5.2
259.02356	4.0
259.06064	4.9
271.02515	4.2
272.03378	2.5
287.02100	2.4
298.01141	6.2
300.02744	2.7
313.03571	2.4
315.01642	11.3
316.02206	22.6
320.33902	1.9
330.03790	3.1
331.04587	100.0
331.13745	9.1
332.04846	9.9
403.16043	5.9
493.09839	6.9
494.10269	2.3
519.31586	16.0
535.10944	54.7
535.20239	9.1
536.11279	8.3
537.33160	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03322	4.9
59.01251	29.9
60.01602	0.8
60.16995	0.8
61.98699	2.1
63.02260	0.7
63.26562	0.8
65.00188	4.6
69.29667	1.6
69.30071	4.5
71.01250	14.8
72.99170	1.5
73.02816	7.9
75.00750	1.0
83.01266	5.6
85.02810	4.5
87.00752	1.8
89.02319	5.3
93.03365	1.3
95.01251	1.8
99.00764	1.2
101.02319	9.8
103.00228	0.8
107.01279	6.6
109.02846	0.9
109.06422	0.8
111.00782	1.1
113.02335	6.7
119.03400	2.4
123.00787	1.4
124.01555	2.4
125.02337	20.6
125.85069	0.9
131.03403	1.3
135.04390	0.7
135.08047	2.6
136.01596	3.5
137.09619	13.6
139.00284	1.5
139.03900	1.1
149.04346	0.7
149.99504	1.1
151.00262	22.1
152.01076	4.6
155.10681	85.1
156.11067	3.6
161.04463	1.8
163.00273	19.1
164.01048	20.0
169.01318	2.0
173.04506	1.6
174.03160	1.5
177.01839	1.5
178.99776	16.4
179.05580	1.3
181.08626	3.1
183.37698	0.7
189.05473	0.9
191.05534	1.7
193.01324	2.4
199.09689	72.5
200.09967	3.7
202.02708	1.2
215.03430	5.1
216.04070	1.6
217.04919	0.9
219.02922	3.2
226.02538	1.3
227.03438	1.5
231.02986	1.4
238.01085	1.1
241.05106	1.3
241.10707	3.1
243.02997	2.3
244.03743	4.5
255.02721	0.8
259.02402	5.3
259.06061	3.1
271.02435	3.2
272.03171	2.4
275.05627	1.4
287.01904	2.4
298.01154	6.9
299.02054	1.7
300.02682	2.2
301.03250	1.1
303.05032	1.8
306.19913	0.8
313.03543	1.5
313.13046	1.1
314.03955	1.2
315.01578	6.7
315.04947	1.3
316.02167	18.3
316.05765	1.2
317.02676	2.4
324.10117	0.8
327.12384	1.9
329.02966	1.1
330.03766	2.2
331.04581	100.0
331.13568	8.8
332.04895	11.1
349.18622	0.9
357.17267	1.8
357.26474	1.5
375.14413	1.1
375.27448	1.6
403.16125	6.6
404.16736	1.0
493.09991	7.3
493.16910	1.0
493.19461	1.0
501.30356	1.0
518.30157	2.0
519.23981	1.3
519.31720	20.5
535.11072	54.1
535.20111	8.9
536.11407	8.8
537.32867	6.6
579.33832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1511
Annotation	Gambiriin A2
Peak:m/z	Relative Intensity
50.53852	0.6
57.03321	2.6
57.90589	0.8
69.29162	6.1
73.84740	0.7
81.03320	2.3
83.01252	2.3
93.03318	0.9
95.04906	2.5
97.02828	4.4
109.02837	19.5
110.03107	0.7
121.02824	2.3
123.04411	13.1
123.91357	0.7
124.04743	0.8
125.02332	25.4
126.02703	4.0
127.02840	1.1
135.04430	1.7
137.02351	11.9
138.02785	0.7
139.03905	3.8
149.02327	4.0
151.03926	10.2
155.37735	0.8
159.04443	2.1
160.05171	1.3
161.02376	2.6
161.05974	3.7
162.03108	2.1
163.03883	1.7
164.01030	3.0
165.01854	5.2
166.02513	1.0
167.03400	1.9
175.03926	2.7
175.07642	1.3
179.03448	6.3
187.03893	4.0
188.04736	3.6
202.06284	2.7
203.07094	14.3
204.07411	2.1
205.05009	9.2
221.08167	3.5
227.07043	2.6
228.07430	0.8
245.08167	21.5
246.08510	2.4
247.06137	1.0
262.63397	0.7
271.06042	1.2
289.07178	100.0
290.07520	10.2
291.07617	1.9
407.07596	1.0
408.07803	1.7
409.08356	2.8
426.09326	0.8
427.09573	1.6
428.95154	0.8
453.11066	0.9
579.14349	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03324	1.8
59.01254	32.6
60.01581	1.3
61.01696	1.2
61.98748	0.7
67.01752	1.0
69.03316	1.3
69.24532	7.7
71.01257	20.4
72.01582	1.1
72.99174	2.7
73.02824	4.1
75.00742	2.4
83.01257	5.4
85.02814	5.0
85.13051	0.7
87.00755	27.5
89.02314	6.4
90.02658	0.8
95.01289	0.7
97.02815	0.9
99.00751	1.3
101.02341	4.2
101.03147	0.6
111.00773	5.3
113.02343	6.7
115.00262	51.5
116.00655	1.0
119.03378	2.4
123.04450	0.9
125.02333	1.0
127.00259	2.1
135.02878	1.7
135.04460	0.9
137.02379	1.6
139.00264	10.1
143.03366	1.1
151.00334	2.2
155.10768	1.3
157.01343	26.1
158.01770	0.9
161.04527	1.9
166.02661	4.6
172.03865	1.1
173.04520	1.4
175.02402	100.0
176.02771	2.9
177.01796	0.9
179.05598	1.3
181.04968	6.3
191.05708	1.0
193.07690	0.9
199.09727	0.9
227.03517	2.4
230.04379	1.1
239.08218	0.8
252.08871	0.8
253.09842	1.5
255.02983	2.4
264.09802	0.7
267.07697	0.9
267.11401	1.1
271.02618	1.4
279.07819	1.2
280.08603	2.5
281.09344	1.6
282.10419	0.9
284.03244	3.3
291.08185	0.7
295.10809	9.7
296.11179	0.9
300.02719	3.3
301.03448	2.1
309.12494	0.8
323.10312	4.8
325.11954	2.2
327.13391	4.4
329.11395	1.1
339.09894	4.5
353.11548	1.6
355.01047	0.8
355.13144	3.5
367.09265	1.0
369.10950	1.0
371.12497	11.9
372.12756	1.6
385.13953	1.1
387.10883	1.2
391.12952	1.8
397.10785	1.6
399.11758	4.2
400.53369	0.8
401.13617	2.1
417.15601	8.2
427.11578	1.0
429.13086	6.8
430.13440	0.9
431.14688	1.5
435.11935	1.3
459.14038	10.1
460.14496	1.4
461.15683	1.5
463.08978	3.5
467.14578	6.3
468.15002	1.2
485.15726	8.0
487.13654	4.6
511.13663	2.1
518.27032	3.0
519.27374	3.7
529.14423	1.0
536.28143	2.9
537.28223	2.5
547.15601	2.0
579.13849	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
58.00467	0.8
59.01252	32.6
61.98697	1.5
69.03332	1.4
71.01250	15.7
71.04888	0.7
72.99178	1.2
73.02810	7.7
74.04495	0.5
83.01268	2.2
85.02827	6.9
87.00751	2.1
87.04399	1.9
89.02328	8.1
92.37797	0.6
93.03333	0.8
95.01273	1.9
96.95901	1.0
97.06451	0.7
99.00768	1.8
101.02322	9.7
111.08076	0.6
113.02330	10.6
119.03403	3.0
124.01542	0.5
125.02328	2.8
126.01438	0.5
131.03380	1.3
135.04456	1.1
135.08052	1.7
137.02324	0.7
137.09616	13.8
139.00291	0.9
143.03429	1.1
143.10771	0.6
151.00330	1.3
155.10684	100.0
156.11043	4.4
161.04457	2.3
163.00278	1.4
164.01064	0.7
169.12320	0.7
173.04442	1.3
173.11765	1.6
178.99825	1.4
179.05539	1.2
181.08658	2.5
187.13304	0.9
191.05663	1.2
199.09694	74.8
200.09982	4.8
241.10782	2.7
259.19250	0.7
300.02634	1.2
313.12909	1.2
316.02094	1.0
331.04739	3.2
331.13974	11.2
332.14401	0.6
343.21246	1.8
345.19104	0.6
357.26483	3.1
375.14322	0.5
375.27469	3.7
403.16269	4.7
403.21118	0.6
403.23245	0.5
404.16360	0.6
482.39786	0.6
501.30530	0.8
519.31702	30.4
520.31830	2.1
535.10858	2.5
535.20190	7.5
536.20483	1.9
537.32654	9.2
538.33014	1.0
579.33173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03323	0.6
57.20640	0.3
58.00466	0.5
59.01250	6.2
61.41118	0.3
63.97845	0.3
69.03307	0.5
69.45856	0.9
69.46272	1.5
71.01256	3.3
71.54587	0.3
71.73507	0.3
72.25726	0.3
73.02821	4.8
83.01250	0.4
85.02820	1.7
87.04384	1.7
89.02306	1.8
91.48325	0.3
95.01234	0.4
96.95943	0.4
101.02330	1.6
113.02330	1.5
119.03458	0.4
125.02306	0.4
131.03355	0.8
135.08069	1.6
135.17516	0.3
137.09622	10.1
137.91605	0.4
138.09958	0.5
149.04491	0.4
155.10684	98.9
156.11015	4.9
161.04465	0.5
163.91519	0.4
169.12260	0.9
173.04289	0.4
176.34315	0.3
181.08667	1.4
199.09694	100.0
200.10023	5.0
205.04915	0.3
213.11259	0.9
221.91441	0.3
241.10783	3.0
272.03256	0.3
312.23651	0.4
313.12851	0.5
331.13974	9.8
332.14505	0.7
398.19446	0.3
403.16052	4.6
493.19418	0.6
519.24939	0.5
519.31262	2.0
535.20331	8.6
536.20416	1.3
537.32520	0.4
579.30383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
57.03326	6.3
58.00465	2.4
59.01252	99.4
61.98702	2.0
69.03316	2.0
69.45786	1.9
69.46176	8.3
71.01255	47.2
71.04885	3.0
72.99186	3.8
73.02824	13.6
78.95776	1.2
81.03307	1.1
81.04067	1.0
83.01252	6.1
83.04888	1.7
85.02822	18.9
87.00736	6.7
87.04394	4.1
89.02319	30.1
93.03317	2.4
95.01265	5.6
97.02842	1.8
97.06465	2.4
99.00744	3.4
101.02329	29.9
101.05942	1.1
109.02826	3.4
111.00759	2.0
113.02331	30.0
119.03405	10.7
119.04887	2.3
121.02839	1.8
123.00764	2.1
123.08044	2.2
124.01575	1.6
125.02348	5.3
134.03699	1.5
135.04369	3.8
137.02357	11.5
137.09610	5.0
139.00346	1.3
139.03905	1.1
143.03389	4.1
149.02333	3.5
149.04399	1.8
150.03189	2.0
151.00267	23.7
151.03903	6.5
152.00989	2.5
152.04675	3.6
155.10622	4.2
159.02866	2.0
161.02344	1.5
161.04431	7.8
163.03874	3.9
166.02632	72.7
167.03227	6.0
173.04475	3.2
175.03874	1.9
177.01842	5.7
177.05527	2.1
179.03354	2.5
179.05449	4.5
179.06880	1.5
181.04988	92.2
182.05310	4.7
183.13989	1.1
184.03654	1.2
187.13322	2.7
190.06236	1.4
191.03432	1.3
191.05449	2.3
191.07051	1.4
199.09648	3.2
201.14793	1.5
205.04889	1.2
207.02905	3.7
207.06529	1.8
209.04596	1.3
232.01123	1.0
245.17395	1.0
259.19003	2.1
271.06165	2.4
273.20734	1.3
305.71207	1.1
311.79202	1.0
343.21017	1.5
357.26431	7.5
359.11111	2.2
360.15463	2.0
363.20053	1.7
375.18442	5.2
375.27405	8.8
387.10718	16.6
387.14822	1.7
388.11032	3.2
402.12857	9.3
417.15427	100.0
418.15866	15.1
489.30447	1.2
501.30435	1.5
519.31738	82.1
520.31909	10.0
537.32782	28.0
538.33044	3.4
574.02979	1.2
579.17059	2.6
579.34088	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
57.03319	4.5
58.00480	1.5
59.01251	82.0
61.98701	29.7
70.29897	4.6
71.01253	61.9
72.99189	4.1
73.02818	10.8
75.00755	1.8
78.95775	2.5
81.03355	1.7
83.01239	7.9
85.02819	32.7
87.00753	5.9
87.04407	1.9
89.02319	40.7
93.03333	3.9
95.01246	5.4
97.02839	3.3
99.00759	18.4
99.04436	1.2
101.02319	52.8
102.02660	1.7
109.02851	2.0
113.02328	41.3
114.02682	1.2
119.03384	17.9
125.02327	4.8
131.03371	1.9
137.02327	3.5
137.30170	1.0
143.03406	18.7
149.04445	1.3
151.00317	1.2
155.03374	1.4
159.02914	2.1
161.04460	45.9
162.04836	2.1
173.04453	2.4
179.05504	9.8
191.05560	2.0
197.05998	24.8
202.79288	1.2
203.05548	2.1
221.06628	5.7
225.05525	94.6
226.05873	7.2
240.07899	100.0
241.08223	8.1
255.10251	97.5
256.10587	8.7
261.52710	1.2
323.09818	51.7
324.10263	4.4
357.26273	7.2
373.52231	1.4
383.59341	1.3
519.31531	9.5
520.32391	1.8
537.32495	1.3
579.25525	2.4
579.33398	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
57.21125	0.4
59.01251	100.0
60.01585	0.7
61.98703	1.8
71.01254	3.9
71.53397	0.5
73.02824	1.5
75.00764	0.6
78.95787	0.8
83.01307	0.4
85.02825	1.3
89.02317	0.8
101.02351	2.0
109.02862	0.6
113.02345	0.9
119.04943	1.4
137.92609	0.3
161.04440	0.8
163.03943	1.2
173.04416	0.4
184.71532	0.3
191.05605	0.5
271.20731	1.2
274.62894	0.5
315.19617	7.7
316.20099	0.8
519.31964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68910	0.1
58.87333	0.2
59.01241	0.4
61.98703	100.0
62.98403	0.2
69.41009	0.1
74.71862	0.1
78.95774	1.1
79.15054	0.1
152.99506	0.3
168.04240	0.2
187.27980	0.1
198.66801	0.1
277.21732	1.5
278.22095	1.1
279.22357	0.8
280.22687	0.2
391.82043	0.2
502.29343	1.3
503.29773	0.2
504.29980	0.4
505.30121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48767	0.1
59.01252	0.6
61.98701	100.0
62.98407	0.2
64.20222	0.1
64.83862	0.1
70.99828	0.1
71.00152	0.1
76.56400	0.1
78.95797	0.5
100.17506	0.1
152.99496	0.6
277.21713	2.3
277.24490	0.2
278.22086	1.8
279.22394	1.3
280.22717	0.7
378.56583	0.1
431.21924	0.1
502.29483	0.6
503.29642	0.2
504.30096	0.4
505.30569	0.6
579.31012	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	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.1
61.98697	0.3
71.01222	0.1
78.95776	6.2
78.98512	0.2
80.96396	0.6
96.96832	0.3
98.19785	0.4
111.24239	0.2
152.99483	1.3
168.04254	1.6
179.89064	0.2
196.89377	0.2
211.33759	0.2
223.59731	0.2
224.06914	0.8
242.07970	2.6
281.24857	100.0
282.25201	9.4
342.55325	0.2
351.17746	0.2
486.15277	0.2
506.32507	25.8
507.32877	3.3
580.28833	1.2
581.18652	0.4
581.27960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89963	0.2
55.31105	0.3
59.01252	19.6
61.98692	0.4
63.28664	0.3
68.67020	0.2
71.23479	0.5
78.95776	20.9
80.96404	0.3
95.46763	0.3
96.96847	0.4
108.92518	0.2
122.98418	0.4
152.99486	3.1
168.04196	2.6
196.89400	0.4
205.13042	0.3
224.06895	8.1
225.07155	0.5
242.07932	2.5
281.24857	100.0
282.25214	10.1
506.32498	58.7
507.32849	8.9
521.28418	0.3
580.28851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66109	2.9
59.01251	9.3
65.00198	5.6
65.32276	3.4
69.20282	30.7
69.64163	3.0
71.01272	3.9
72.03037	3.0
73.02868	3.3
74.96172	2.8
83.01244	3.8
85.02809	3.8
87.94315	3.2
95.01275	5.2
96.99190	3.5
98.42022	3.3
106.66563	3.0
109.02834	7.8
111.00757	7.4
121.02776	3.8
123.00751	6.8
137.31223	3.2
139.00267	10.8
149.02319	5.1
149.99472	3.6
151.00250	16.5
153.01801	6.7
154.99791	9.5
155.10667	14.3
163.07458	3.2
164.98204	3.9
165.98996	5.8
168.00546	5.1
169.01323	5.1
173.02441	4.5
175.03778	3.3
177.98981	8.9
178.99800	28.8
181.98546	6.7
187.03926	7.1
193.01389	4.1
199.09605	7.1
200.09969	5.3
203.03423	4.6
215.03526	5.9
217.01260	3.9
231.02988	5.9
232.03728	3.9
233.04504	4.2
243.02939	8.5
260.03302	3.3
261.03879	5.8
261.80441	3.5
269.01175	3.0
271.02383	18.8
287.01965	31.0
288.02863	7.7
315.01456	100.0
316.01813	8.0
322.87256	3.2
332.01672	23.4
333.02377	13.3
359.11261	5.6
389.16043	5.2
397.07391	3.5
401.07394	5.3
495.08148	4.5
537.08881	41.8
538.09473	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	581.1823
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
57.18795	1.1
59.01244	6.4
62.96267	1.8
63.82690	1.1
65.10633	1.1
70.69812	1.6
70.70152	2.5
71.01240	2.7
78.95774	100.0
96.95908	1.6
96.96823	3.3
98.95472	2.0
99.92457	10.7
100.93247	2.1
106.75035	1.1
115.91963	35.8
116.91998	1.9
116.92746	28.8
117.92735	1.6
128.30820	1.1
150.97929	2.6
152.99490	26.1
155.94980	1.2
163.89691	1.1
164.90460	1.6
171.00575	10.3
172.95395	4.9
178.88348	3.9
178.91963	1.6
179.89137	35.5
180.89961	27.4
181.90710	3.2
194.87808	3.6
196.89412	50.3
196.91216	2.6
197.89398	3.2
204.89911	2.1
205.90739	5.9
206.91432	2.5
208.89371	2.2
211.96645	1.1
221.90225	3.1
234.90999	1.6
235.91733	8.1
236.90392	1.8
236.92586	26.3
237.92822	2.7
245.04407	2.0
252.92018	3.1
256.23630	1.7
270.93253	1.8
276.95746	2.8
278.93646	2.3
281.24841	14.8
282.25253	6.0
292.95126	2.4
308.94629	1.3
310.96228	7.2
473.13773	5.7
474.14395	1.3
489.13211	1.5
490.14313	6.1
506.32193	5.3
507.32626	5.1
528.78162	1.3
533.15973	3.7
545.16187	4.5
546.16620	2.5
563.17145	6.0
581.18170	57.7
582.18317	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.188
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
55.01752	0.2
57.03329	1.0
57.03570	0.2
57.39530	0.2
58.00462	0.2
58.67984	0.1
59.01252	24.5
60.01591	0.6
61.98710	1.0
63.02273	0.2
65.00212	0.5
69.03331	0.6
69.28867	1.0
69.29279	0.6
71.01254	5.5
71.04922	0.2
72.01622	0.2
72.99187	0.6
73.02815	1.7
75.00757	0.3
78.95795	0.2
81.03329	4.1
81.03770	0.3
83.01258	1.9
85.02823	2.3
87.00766	0.7
87.04415	0.5
89.02327	2.8
93.03326	0.4
95.01261	0.6
95.04934	0.4
97.02846	0.8
99.00762	0.3
99.04436	0.2
101.02316	3.8
101.02923	0.3
102.02638	0.3
107.01274	0.7
107.04899	0.2
108.08074	0.2
109.02850	0.6
109.89886	0.2
113.02321	2.9
119.03374	1.4
119.04870	0.2
121.02848	0.7
122.03631	3.8
122.04457	0.3
123.00753	0.2
123.04467	0.3
124.01610	0.3
125.02338	7.9
125.16425	0.2
126.02685	0.2
127.03930	0.3
129.01790	0.2
130.42896	0.2
131.03377	0.3
131.04942	0.5
133.17540	0.2
135.04379	0.3
137.02309	0.4
138.03209	0.2
139.03915	0.7
143.03409	0.9
145.06625	0.2
147.08072	0.6
148.01440	0.2
149.02321	1.4
149.04785	0.2
149.06012	0.5
150.03069	0.3
151.00290	1.4
151.04002	0.2
152.01053	0.7
156.05727	0.9
157.06085	0.2
159.92323	0.2
161.04480	1.1
163.06039	0.3
166.02605	0.5
167.03392	0.6
169.06508	1.3
171.08031	1.8
173.04495	0.5
173.05971	3.2
174.06287	0.3
175.00316	0.5
179.03404	0.5
179.05544	0.4
183.08076	0.4
184.05238	0.2
185.09645	0.3
189.09201	0.2
191.05515	0.4
195.06450	0.2
195.08067	1.0
198.06853	0.5
205.07182	0.3
213.09151	21.3
214.09505	2.1
225.09178	0.2
227.07074	0.4
235.07652	0.2
239.07166	2.6
240.07358	0.2
241.08769	0.2
253.08723	1.0
257.08173	100.0
258.08505	9.6
263.07114	1.1
271.09729	1.9
281.08185	19.0
282.08560	2.0
299.09241	6.5
300.09616	0.6
311.09241	2.1
312.09583	0.3
323.09219	0.4
329.10138	0.2
359.11340	0.8
377.29004	0.6
401.12338	0.7
419.13452	34.6
420.13818	5.0
477.30734	1.0
495.32086	0.3
520.32031	0.8
521.33105	4.0
522.33411	0.5
538.33093	0.3
539.34058	1.2
581.35211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03325	3.5
58.83892	1.0
59.01255	12.8
61.98724	1.4
68.99700	1.6
69.03313	1.7
71.01257	14.9
71.10880	1.8
72.99176	5.4
73.02824	4.6
75.00753	13.3
83.01288	2.2
85.02829	14.8
87.00751	7.0
89.02350	4.0
93.53069	0.9
95.01291	4.3
97.02810	1.1
97.91183	1.0
99.00762	11.9
101.02335	1.1
103.00270	1.9
107.01297	2.1
111.00756	1.2
113.02328	11.6
113.02953	1.0
115.00264	4.2
117.01833	2.6
124.01622	1.2
125.02389	1.1
131.34346	1.1
135.04387	4.8
137.09618	9.1
149.02419	1.7
150.03163	1.6
151.00281	11.2
152.01048	1.3
155.10690	100.0
156.11023	6.1
157.01332	1.8
163.25935	1.1
164.04758	2.0
165.05507	1.7
175.02480	3.7
178.99812	1.2
181.08733	1.3
190.06383	1.3
193.01295	1.0
199.09686	20.5
199.11345	1.6
200.10008	1.2
223.06134	2.7
231.05209	1.8
249.06078	14.0
271.02780	1.2
272.03308	8.5
273.04050	3.7
273.13422	10.4
287.05634	5.0
318.25583	1.0
341.20386	1.0
364.23300	1.2
389.16092	5.9
405.79800	1.2
431.15869	1.4
449.16641	98.2
450.16931	10.0
521.32813	1.7
581.21320	34.0
582.21960	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	581.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03327	1.4
58.00467	4.1
59.01252	76.7
60.01603	0.9
61.98704	11.1
62.56197	0.6
62.67394	0.6
64.19744	0.6
69.03329	7.9
71.01255	81.5
71.39351	0.6
71.39667	0.8
72.01596	1.7
72.99188	4.7
73.02820	12.8
75.00740	3.5
81.03329	2.9
83.01265	5.9
85.02820	9.4
87.00771	2.9
89.02319	100.0
90.02664	1.0
93.03329	2.5
95.01267	3.0
97.02833	13.6
99.00758	18.1
99.04395	1.8
100.01064	0.6
101.02322	17.9
109.02821	1.1
111.00764	2.5
113.02338	9.0
114.02611	0.8
115.03912	7.0
119.03385	2.4
121.02851	22.9
122.84754	0.6
123.04434	0.8
125.02341	48.6
126.02658	2.0
127.03909	1.6
130.94583	0.7
131.03392	11.1
137.02339	0.7
143.03386	4.0
149.02345	0.7
149.04469	13.7
150.03120	1.3
151.03957	1.2
155.03403	1.1
155.10591	0.7
161.04491	2.1
163.03976	0.8
165.05502	1.4
173.04431	2.5
179.03436	0.9
191.03955	0.9
191.05550	9.3
191.07202	1.1
195.06546	1.3
209.08109	1.0
218.19612	0.6
233.06633	41.4
234.06973	1.7
271.09656	2.9
272.10504	7.1
287.12936	4.8
293.08792	29.5
294.09164	1.4
333.20679	0.9
364.16766	0.7
444.13589	0.8
521.33600	0.8
537.26764	2.5
581.18604	1.0
581.27142	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	581.2751
Annotation	Aralionine A
Peak:m/z	Relative Intensity
55.75555	1.0
55.98315	1.0
57.03323	1.2
59.01244	15.0
59.47715	1.1
60.96869	1.0
61.98689	1.6
65.82555	1.0
67.50578	1.0
68.82056	0.9
70.42476	1.0
71.01260	1.3
73.02830	1.1
83.01266	2.7
83.72325	0.9
93.03324	2.0
97.02840	4.3
107.04896	1.1
108.02028	1.6
109.02833	9.4
112.20494	1.0
119.04911	3.3
121.02842	4.2
122.03610	6.3
123.04404	10.5
124.01517	1.3
125.02313	3.6
132.17258	1.0
134.65271	1.1
135.04399	4.1
137.02344	20.7
138.03076	1.6
139.03925	3.1
147.04388	1.1
149.02344	11.3
149.05977	1.1
151.03937	11.5
151.14476	1.1
152.04539	1.3
154.02675	1.6
154.70934	1.0
161.02321	5.3
161.06006	3.2
162.03125	2.2
163.00301	5.3
163.03935	8.2
164.01036	5.0
165.01830	6.6
165.05481	1.1
173.05951	1.1
175.03931	1.6
177.01878	2.8
177.05505	1.5
178.02585	3.2
179.03401	3.5
180.04225	3.1
187.03908	2.0
191.03506	1.4
195.06616	1.9
201.20337	0.9
202.06314	1.1
203.03375	1.3
203.07021	2.9
205.05032	7.2
210.05165	1.2
215.07092	3.3
225.07736	1.6
229.04980	1.2
231.02893	2.1
247.06078	4.6
264.07950	1.2
286.15799	1.2
301.07144	3.4
327.15955	2.1
331.22858	1.8
333.20453	2.3
345.17010	2.9
361.16595	9.4
362.17163	1.2
371.14890	1.6
389.16046	12.2
429.22806	2.9
512.20380	6.7
513.21155	1.5
519.27209	1.6
537.28510	3.9
538.28186	1.4
563.26709	2.6
581.27588	100.0
582.27838	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2758
Annotation	Aralionine A
Peak:m/z	Relative Intensity
53.44940	1.0
59.01232	1.3
61.98698	1.5
71.50931	1.3
83.01257	4.3
93.03355	3.1
95.04891	1.5
97.02841	5.0
109.02833	9.9
116.92725	1.0
121.02862	1.8
122.03655	6.4
123.04414	12.0
125.02347	4.9
135.04416	5.0
137.02336	21.6
139.03914	3.3
145.02892	1.5
146.03625	1.6
149.02345	8.1
151.03922	9.2
159.04433	1.9
161.02370	3.6
161.06010	5.5
162.03099	2.5
163.00266	6.4
163.03914	2.0
164.01012	3.5
165.00626	1.1
165.01797	5.3
165.05470	2.5
175.03915	1.7
177.01830	2.4
177.05548	2.0
178.02632	4.3
179.03377	3.7
187.03954	1.8
191.03540	1.8
203.07112	2.1
205.05023	7.2
215.07060	3.9
221.08179	2.2
223.13242	1.1
247.06169	4.6
263.41434	1.1
301.07202	2.2
331.22803	1.3
333.20795	2.3
345.17184	2.2
361.16440	5.9
389.16104	8.0
429.22812	4.1
487.01376	1.2
512.20526	6.0
537.28693	3.1
538.28949	1.4
563.26666	2.6
581.27594	100.0
582.27930	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	581.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.9
63.96085	0.8
69.03293	1.0
71.01251	8.3
73.02821	1.8
73.47743	0.8
78.95758	3.2
78.98463	6.2
79.95603	9.2
80.56679	0.8
80.96393	70.8
85.02805	3.1
86.62548	0.7
87.00748	2.0
94.97958	16.3
96.95880	1.5
97.02849	1.0
101.02301	2.7
102.34776	0.9
106.97951	3.3
122.97449	6.0
125.02320	3.8
127.03914	0.9
129.25386	0.9
134.97473	5.4
136.99022	1.0
148.99016	6.3
152.98524	7.3
164.56342	1.0
164.85078	1.0
164.98543	10.5
179.09979	0.8
182.99593	2.0
206.99620	3.1
224.06720	1.1
225.00690	17.5
226.19986	0.9
243.01668	2.3
281.24802	3.3
283.26437	15.0
299.04385	2.9
301.53152	0.9
444.06216	0.8
508.34158	9.8
581.29993	100.0
582.30182	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.5
61.98705	100.0
62.98408	0.2
69.25821	1.1
70.62281	0.1
78.95784	0.8
82.95979	0.3
96.62490	0.1
98.20616	0.2
108.79491	0.1
122.23912	0.1
151.64836	0.1
152.99506	0.4
224.06914	0.2
279.23282	1.6
280.23624	1.3
281.23859	0.7
282.24307	0.6
348.48508	0.1
350.87888	0.1
370.78284	0.1
504.31009	1.0
505.31488	0.3
506.31729	0.4
507.31870	0.9
581.27222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.4
61.01669	0.1
61.98700	100.0
62.98409	0.3
70.80846	0.1
70.81161	0.2
75.51410	0.1
78.95782	0.6
97.89753	0.1
131.42084	0.1
152.99564	0.3
158.79747	0.1
177.99255	0.1
188.57198	0.1
200.85252	0.1
279.23291	2.1
280.23587	1.6
281.23911	0.9
282.24173	0.5
284.92572	0.1
412.16742	0.1
442.89423	0.1
504.30988	0.6
505.31439	0.3
506.31607	0.2
507.31818	0.8
581.32660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.4
57.03321	3.0
59.00959	5.0
59.01249	100.0
61.98700	41.3
71.01252	49.4
71.52191	3.6
72.94683	2.8
73.02808	9.2
83.01270	4.2
85.02824	23.4
87.00780	4.3
88.38742	3.0
89.02319	25.4
95.01266	4.6
96.95889	3.8
97.02779	2.8
99.00737	3.3
101.02318	19.3
109.02751	2.7
113.02328	27.5
119.03397	7.0
125.02319	6.6
134.05986	3.2
137.02330	5.1
137.09598	4.9
146.12756	2.8
155.10712	3.4
161.04445	4.7
173.04398	3.1
196.24149	3.1
298.17380	2.6
319.22562	5.0
322.64713	3.1
335.22449	4.0
539.28595	54.0
540.28809	9.6
583.30511	10.0
585.59955	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	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
59.01249	47.0
61.98703	12.4
69.03326	2.8
71.01256	5.6
71.04884	2.0
73.02821	6.2
73.29928	1.3
75.67316	1.6
83.01307	1.3
83.04927	2.4
85.02843	2.8
89.02299	2.1
96.95885	3.7
97.06466	4.8
99.04387	22.6
101.02333	3.0
113.02362	2.0
119.08554	5.8
137.09610	11.8
153.09111	2.5
163.07527	1.5
167.10672	4.6
181.08630	4.7
255.06705	2.1
317.21304	2.1
335.22260	100.0
336.22610	12.3
363.55017	1.9
377.23300	2.8
539.28198	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	583.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
59.87256	0.1
61.01689	0.1
61.98704	100.0
62.98404	0.2
65.01731	0.1
70.60149	0.1
76.09507	0.1
78.95792	0.5
88.00348	0.1
88.98692	0.3
98.60114	0.1
152.99532	0.3
193.41730	0.1
207.56920	0.1
208.01622	0.1
211.46315	0.1
281.24850	2.5
282.25211	1.6
283.25543	1.1
284.25729	0.6
388.86191	0.1
506.32452	0.6
507.33224	0.2
508.33325	0.3
509.33377	0.6
583.33551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64757	0.2
59.01237	0.3
61.98704	100.0
62.24268	0.2
69.23066	0.8
69.23502	1.4
71.25766	0.2
78.95791	1.0
98.20521	0.4
152.99530	0.3
281.24823	1.7
281.59561	0.2
282.25308	1.0
283.25629	0.7
342.09317	0.2
447.62296	0.2
476.99127	0.3
506.32715	1.2
506.66797	0.2
508.33670	0.3
509.33655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36864	0.3
58.25462	0.2
59.01243	0.5
61.98703	100.0
67.92777	0.3
86.28730	0.3
90.54379	0.3
91.59110	0.3
93.03347	0.3
96.95938	0.5
106.95063	0.3
112.74755	0.2
125.02356	0.4
155.10690	0.6
165.05518	0.3
167.03517	0.3
191.05576	0.5
199.09753	0.6
256.37811	0.3
351.73438	0.3
361.14624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99581	0.9
52.80449	1.0
59.01255	13.7
59.69625	1.0
61.98705	3.1
62.06704	1.1
69.03336	2.3
71.01251	4.6
71.44285	1.6
73.02818	1.7
74.64375	1.0
84.67491	1.0
85.02799	1.6
89.02300	4.4
98.31786	1.1
101.02319	4.4
105.28075	1.0
109.02839	1.9
113.02295	1.2
123.04398	1.9
125.02315	2.4
157.76863	1.0
165.12759	16.0
166.13071	1.3
171.06300	1.2
171.10155	6.7
194.71196	1.1
197.11786	5.5
247.20644	7.4
253.09250	16.1
273.18634	4.5
290.95398	1.2
291.19662	100.0
292.20035	12.2
587.26135	2.2
596.00159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
61.98702	0.3
69.24703	0.2
69.25097	1.3
71.01274	0.2
72.90363	0.2
72.99178	1.7
73.94917	0.2
75.00745	100.0
76.01076	1.1
87.02744	0.2
87.08225	0.1
115.83014	0.2
158.23141	0.2
196.21017	0.1
266.78073	0.2
277.21664	0.2
313.68848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60841	0.3
53.28698	0.3
56.52277	0.4
57.11425	0.3
57.48600	0.3
59.01258	3.6
61.98701	0.8
71.01248	3.1
71.51575	0.5
72.99177	1.7
75.00748	100.0
75.41624	0.3
76.01096	1.3
78.95784	0.6
89.02324	2.1
101.02314	1.8
109.06560	0.4
113.02334	1.0
119.03415	1.4
130.34874	0.3
152.99500	0.8
242.46539	0.4
277.21719	1.1
409.31653	1.0
427.32697	0.5
529.62445	0.4
589.37457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	25.8
61.98702	8.2
63.75006	2.1
68.70554	2.2
70.06559	2.1
71.01255	5.3
71.52110	1.9
77.97034	2.1
89.02312	3.8
97.00955	2.1
101.02340	4.7
113.09591	2.2
119.35294	2.7
161.04498	2.6
169.48199	2.3
171.10170	4.2
180.86064	2.2
183.13809	7.5
205.07532	2.4
235.16959	8.3
253.09273	24.8
271.02042	2.8
275.20209	13.2
293.21234	100.0
294.21417	10.5
317.13867	2.4
365.70010	2.3
377.79651	2.5
534.16376	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	590.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74489	0.2
58.13380	0.1
59.01245	1.5
61.98703	100.0
64.51598	0.2
71.01261	0.4
80.83560	0.1
85.38512	0.2
98.19821	0.3
113.02360	0.2
125.02326	0.3
171.00246	0.1
171.10312	0.3
183.29068	0.1
198.38074	0.2
290.71039	0.2
291.19687	0.3
292.20218	0.4
293.20462	0.3
402.07169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.4
57.03323	1.5
58.00473	4.5
59.01252	100.0
60.01606	0.8
61.98709	2.4
67.61512	0.6
70.02859	1.2
71.01254	71.6
72.01607	1.2
72.99178	7.7
73.02830	1.9
83.01262	3.4
83.04908	2.3
85.02829	11.8
85.06480	2.6
87.00765	4.2
88.03931	2.6
89.02318	75.8
90.02678	1.8
95.01260	4.3
97.06487	0.9
98.02370	1.0
101.02325	47.8
102.02674	1.0
108.07383	0.9
108.08046	4.0
109.52634	0.8
113.02333	29.4
115.07551	1.1
119.03391	41.1
120.03726	1.2
124.07545	0.9
125.02359	2.9
126.09139	7.2
126.31956	0.6
131.03391	4.2
136.07600	0.9
138.09192	3.2
143.03416	7.0
149.04509	3.1
154.08688	0.7
156.10225	2.4
161.04466	4.9
163.00153	0.8
166.08690	2.4
175.03973	0.7
177.01871	1.5
179.05544	14.6
184.09714	2.2
185.10132	0.7
187.04013	0.8
217.04939	0.8
225.22194	13.8
226.22644	1.1
253.21658	3.2
254.21877	0.7
270.24506	1.5
271.22812	7.6
272.23227	0.7
279.15909	0.6
296.26038	4.6
301.03589	0.8
324.25531	2.0
325.26151	0.9
380.31863	2.1
392.31677	4.5
393.31885	1.2
410.32758	52.2
411.33124	8.2
428.33850	23.2
428.39792	1.1
429.34134	3.6
461.81018	0.7
495.13040	0.7
590.39093	63.4
591.39294	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1144
Annotation	Robinetinidol-(4alpha->8)-dihydrorobinetin
Peak:m/z	Relative Intensity
57.03315	14.2
58.26546	3.2
59.01249	7.7
71.00606	6.6
71.01220	4.5
74.17590	3.0
81.03336	4.5
83.01266	10.9
89.02328	5.2
89.49001	2.7
94.30139	2.8
95.01274	5.2
97.02828	4.3
101.01157	3.5
109.02847	23.5
111.00756	14.2
115.16431	3.4
118.41930	3.1
119.04893	8.9
121.02831	7.6
123.00777	14.0
123.04396	10.8
124.01548	3.3
125.01450	6.6
125.02338	100.0
125.03255	4.9
131.08229	3.7
133.02859	13.5
135.04344	5.1
137.02324	40.0
138.03091	6.7
139.00282	17.0
139.03938	4.2
141.01785	12.1
142.50395	3.0
145.02850	3.8
147.04391	7.6
149.02315	13.3
149.04488	6.0
150.03123	5.7
151.00259	10.6
151.03880	11.6
153.01813	12.4
159.04411	7.0
161.02354	34.1
162.03026	5.3
163.00272	10.3
163.03918	20.0
164.00987	10.5
165.01889	15.6
166.02646	9.8
167.03404	13.1
171.04449	4.0
172.05104	3.1
174.03133	4.5
175.03940	19.5
176.01022	3.2
177.01857	84.7
178.02142	5.8
178.99796	3.8
181.01347	4.0
187.03896	10.1
189.01816	6.0
189.05450	4.5
191.03474	6.2
199.03874	6.8
201.01868	4.2
201.05585	4.7
203.03429	12.4
205.01385	5.5
205.05031	4.4
211.04050	4.2
213.05406	4.8
215.03477	7.6
216.51128	4.2
217.04985	11.7
219.02859	4.9
227.03380	6.7
231.02968	5.1
233.04443	5.2
241.04813	5.1
243.03024	17.5
245.04495	8.4
255.02921	6.9
257.04477	7.9
259.02563	17.4
259.06042	5.4
261.04053	10.0
269.04425	6.1
271.02417	5.0
272.03073	3.8
273.03922	9.9
283.02505	5.3
285.04037	14.2
287.02237	3.4
287.05463	8.5
289.03528	7.5
289.07129	7.9
299.05710	4.9
301.03412	10.5
303.05060	32.9
327.05365	3.5
327.08612	15.1
329.06586	6.2
398.44287	3.7
407.07690	7.8
421.05637	15.4
422.06543	3.6
423.07104	20.1
425.08676	6.1
439.06445	22.8
440.07257	6.5
441.07977	9.4
465.08090	6.9
591.11035	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	591.1357
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03321	7.0
58.00435	0.4
59.01252	6.7
61.98698	0.5
63.02269	0.9
64.88046	0.3
69.03349	0.6
69.35231	2.6
69.35633	0.8
73.02808	2.0
76.72147	0.3
83.01260	1.0
83.18816	0.4
85.02816	2.5
87.04404	1.2
89.02290	0.9
93.03352	1.4
95.01255	0.4
97.06458	0.6
99.04388	1.5
99.08056	0.6
101.02339	3.1
107.01269	2.0
109.02863	0.8
109.06442	0.5
111.08044	0.9
113.02332	1.1
113.09613	0.4
117.03345	0.6
119.03385	0.6
123.04395	0.6
123.08079	0.6
125.02345	1.1
125.09597	1.0
129.09084	0.6
132.02051	1.4
135.00768	1.1
137.02313	0.8
137.09566	1.1
139.07516	0.6
141.09180	0.3
143.03323	0.3
143.04915	1.1
149.04523	0.5
151.00235	2.3
151.07561	0.3
153.09108	1.1
155.10730	1.0
157.06534	0.5
159.04420	1.0
159.10167	0.4
161.02406	0.5
161.04501	0.4
163.00267	2.1
164.00990	0.6
165.01823	0.6
165.09200	0.5
169.06476	0.8
169.08618	3.8
171.04332	0.7
173.11678	0.6
178.99799	0.5
183.04330	0.4
185.06009	2.0
187.03931	2.5
189.05508	0.9
193.08662	0.4
194.14262	0.4
195.04431	1.0
197.06009	1.0
198.03296	0.5
199.03903	1.0
199.09650	0.4
201.05551	0.8
211.04019	2.0
212.04550	0.4
213.05449	2.2
214.02759	0.4
215.03448	0.5
217.14380	6.5
227.03453	26.7
228.03862	2.3
229.05023	10.5
230.05304	0.8
239.03479	2.0
240.04195	1.0
241.05049	1.8
243.02870	0.4
255.02963	53.1
256.03482	6.5
257.04529	5.6
258.04941	0.7
267.02927	1.1
283.02457	0.9
284.03253	82.6
285.04001	100.0
285.20740	0.8
286.04382	7.9
301.03589	0.5
305.08707	0.6
321.20367	0.4
327.05176	0.8
329.19785	1.0
357.22791	0.4
369.23026	0.8
387.18805	0.4
387.23810	9.6
388.23947	0.7
400.96762	0.4
446.96103	0.4
447.09286	37.6
448.09607	5.7
489.10373	54.0
490.10733	8.6
529.13501	19.4
530.13660	3.7
531.11292	1.0
531.28033	2.6
549.29236	0.9
591.13495	7.6
591.29694	1.7
592.13635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91003	1.3
59.01256	16.4
71.01247	9.4
73.02834	5.2
75.00751	3.8
85.02815	2.0
86.62148	1.4
87.00775	2.7
89.02314	20.6
92.32603	1.3
93.03325	3.7
101.02329	5.9
110.64291	1.5
113.02306	3.8
119.03369	2.9
119.04923	42.9
120.01143	2.1
120.05278	2.0
121.52966	1.3
125.02368	2.8
131.03368	5.6
137.02335	1.9
143.04909	2.0
149.04463	100.0
150.04750	1.5
161.02344	2.2
161.04465	2.2
163.03918	59.8
164.04187	2.9
175.27570	1.7
175.68649	1.7
191.05458	1.6
229.52756	1.5
233.20416	2.0
237.09042	2.3
246.85353	1.4
265.08832	2.3
283.09705	3.3
294.06360	1.7
295.08237	16.6
327.08752	20.4
328.08978	2.0
369.18961	2.3
386.19122	1.5
387.20227	5.0
514.38867	1.5
531.24127	3.4
556.18665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63610	0.2
55.01734	0.2
57.03309	0.6
58.00447	0.4
59.01250	15.6
60.01584	0.3
61.98692	0.7
69.03324	0.5
69.34658	1.1
69.35075	0.5
71.01251	3.7
72.99169	0.8
73.02808	1.7
75.00739	0.2
83.01225	0.5
83.04846	0.2
85.02826	2.3
87.00806	0.4
87.04397	0.3
89.02309	2.6
95.01265	0.4
95.04874	0.2
97.02827	0.3
99.00742	0.5
99.04420	0.3
101.01685	0.4
101.02317	3.7
103.03902	1.6
107.05002	0.2
109.02852	0.4
113.02331	1.0
119.03381	0.9
123.04362	0.3
125.02343	1.1
135.04416	0.4
137.02322	0.6
143.03320	0.5
149.02306	0.5
150.03192	0.3
151.03893	0.5
161.04509	0.5
161.05951	0.5
163.06036	0.9
165.05437	0.3
171.10175	0.7
173.04524	0.4
175.03815	0.2
182.03542	0.7
191.05492	0.4
201.11249	0.8
205.07130	0.4
210.03151	3.1
211.03619	0.4
225.05519	27.5
226.05830	2.3
238.02625	0.5
240.07744	0.3
253.05029	36.0
254.05394	3.0
255.10129	0.6
268.07391	59.2
269.07745	5.6
278.21265	0.2
283.09738	100.0
284.10083	9.9
292.22778	0.4
336.13861	0.2
343.24869	0.6
357.13144	0.4
367.11609	0.4
372.15805	0.9
387.18130	3.7
388.18347	0.6
419.20001	0.2
440.25967	0.3
447.22284	0.4
452.26376	0.4
458.27307	0.3
470.27377	0.5
513.30505	0.6
531.31897	0.5
549.32373	0.3
591.20880	2.0
591.34387	2.0
592.20892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04082	1.8
60.35167	2.0
65.10333	1.7
65.57288	1.7
70.01575	1.7
88.92517	1.6
90.46603	1.6
98.19818	5.4
135.62090	1.8
154.20726	1.8
212.55829	1.9
229.70361	1.8
259.12576	1.9
342.48807	2.0
443.22537	2.6
457.20392	2.0
459.21799	2.9
471.25885	3.2
487.25366	4.2
497.23135	5.2
499.21680	4.6
500.22058	13.3
501.22623	2.1
512.92059	2.0
515.24530	100.0
516.24927	20.5
559.23517	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2611
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
67.49766	0.5
68.13802	0.5
70.53701	1.3
76.72459	0.5
158.15805	0.5
198.33258	0.5
396.17297	0.8
430.17004	0.6
443.22549	2.0
444.23141	0.5
445.20432	1.5
446.20767	0.6
447.25610	0.9
455.22903	0.7
456.23178	1.1
459.21744	2.6
462.20096	0.6
471.21378	1.7
471.26144	1.4
472.22375	1.7
473.23264	1.4
482.21344	1.3
484.18808	0.7
485.19897	1.4
487.25720	3.1
497.23315	3.0
498.23773	0.9
499.21341	4.1
500.22168	13.0
501.22839	2.4
503.20892	1.0
504.21741	0.6
514.23633	1.0
515.24530	100.0
516.24841	23.2
518.23627	0.6
519.23956	0.9
559.23334	4.7
560.24036	1.0
591.26074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03324	53.0
58.00473	1.9
58.03647	1.1
59.01252	100.0
60.01573	0.8
61.98707	0.8
65.56368	0.7
67.11610	0.7
67.88496	0.6
69.03329	2.2
69.19471	6.8
71.01252	28.7
72.87891	0.6
72.97401	0.7
72.99195	2.2
73.02811	9.4
73.03191	0.8
76.25712	0.7
81.03349	1.8
83.01279	2.3
85.02822	5.7
86.89761	0.7
87.00745	4.1
89.02319	35.9
93.74196	0.7
95.01289	1.2
97.02841	1.3
98.20600	1.3
99.00760	5.1
99.04397	41.7
101.02323	27.1
103.41903	0.8
106.06530	1.8
108.08107	1.8
113.02328	8.2
119.03399	5.3
124.01516	0.9
125.02341	29.9
125.03256	1.6
131.03389	10.4
135.07985	0.7
143.03435	2.5
149.04471	20.1
152.07092	1.2
158.94742	0.6
161.04547	1.3
166.08760	0.7
173.04471	1.0
179.05589	1.5
185.00870	1.0
190.05032	1.7
191.05544	6.8
233.06746	1.5
253.13185	0.8
271.14468	1.9
343.13129	0.8
355.13107	0.9
387.15710	2.3
429.21262	9.5
430.21741	0.9
430.50916	0.7
447.22342	68.0
448.22598	9.1
487.33005	3.6
489.23590	5.8
489.34219	1.9
505.34378	1.7
591.26166	6.1
592.27539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49487	0.6
57.03322	65.4
58.00469	2.1
58.03660	1.1
59.01250	100.0
60.01593	2.0
61.98702	1.7
67.82489	0.6
69.03334	1.3
70.84061	0.6
70.87057	1.7
71.01253	42.1
71.66241	0.6
72.99191	3.0
73.02821	14.6
75.19621	0.7
80.48093	0.6
81.03340	1.0
83.01255	2.5
85.02827	8.6
87.00747	5.9
89.02317	59.7
90.02649	0.7
94.40458	0.7
95.01260	1.5
97.02843	2.7
99.00759	18.5
99.04398	32.2
101.02322	36.5
101.30692	0.7
102.02663	0.9
105.99385	0.7
109.02802	1.0
111.00797	1.0
113.02328	12.6
115.03915	0.8
119.03392	8.2
124.01521	0.8
125.02336	30.3
126.02629	0.7
131.03413	7.9
137.02341	0.9
143.03436	2.6
149.04460	24.0
161.04472	3.3
161.05849	0.8
165.98521	0.8
173.04594	0.7
176.47028	1.0
179.05511	2.8
191.05553	8.3
205.07097	1.2
221.06578	2.1
230.57808	0.7
230.60341	0.7
233.06624	2.9
245.32722	0.7
251.07719	2.3
293.08813	0.7
364.46701	0.7
369.22507	0.9
372.15717	0.8
387.18085	2.4
429.21204	12.7
430.21768	1.5
447.22342	91.4
448.22675	11.5
489.23404	4.3
547.31506	1.6
587.64612	0.7
591.26440	10.3
591.34863	1.0
592.26526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77076	0.9
55.01769	1.5
57.03327	53.8
59.01252	74.9
60.01595	1.1
61.98703	3.0
69.03320	4.4
69.19259	9.9
71.01256	33.9
71.04885	1.1
72.01588	0.9
72.99189	2.1
73.02816	12.5
73.32663	0.8
75.00756	2.2
81.03323	1.5
83.01272	5.1
83.04916	1.3
85.02822	13.6
87.00755	5.6
87.04427	1.1
89.02315	10.1
89.30476	0.8
95.01266	1.8
95.04897	1.0
97.02825	3.5
97.06516	0.9
99.00770	7.0
99.04395	46.2
100.04780	1.3
101.02325	30.3
109.02847	1.3
111.00762	1.0
113.02322	14.6
115.03892	1.0
117.83295	1.2
119.03372	2.3
120.30171	1.0
123.04423	2.6
125.02338	20.9
125.09604	1.0
131.03383	1.7
135.04387	1.4
137.02371	2.5
141.01894	1.1
143.03372	2.7
149.02362	3.4
149.04443	1.7
153.05444	1.0
155.10693	2.5
159.02850	2.2
161.04465	17.4
164.04701	1.4
168.87305	1.0
171.10210	3.7
173.04396	1.1
179.03418	1.5
185.00812	4.1
199.09793	1.1
201.11226	2.9
223.06065	3.3
226.06227	1.6
234.86861	1.1
241.08670	1.0
255.02737	1.0
289.07037	1.2
293.45493	1.0
315.18170	7.8
329.19577	1.9
343.24896	5.3
344.88608	0.9
369.22614	1.3
385.11255	3.2
387.23795	1.8
425.35526	1.1
429.21167	15.6
430.21423	1.3
447.22342	100.0
448.22711	14.0
487.32663	2.8
489.23413	4.6
505.26651	3.0
531.31891	1.6
587.21454	1.0
591.26135	8.8
592.27020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03322	3.3
58.00469	3.5
59.01251	100.0
60.01577	1.0
69.03331	0.6
70.40089	1.2
71.01254	59.8
72.01578	0.5
72.99182	3.6
73.02824	9.9
75.00736	0.6
81.03356	0.3
83.01260	4.5
85.02823	16.7
86.03173	0.7
87.00745	4.6
89.02317	44.3
89.85715	0.3
90.02673	0.6
93.03329	0.5
93.50990	0.4
95.01268	6.6
97.02812	1.8
99.00758	3.1
101.02322	34.5
102.02616	0.4
111.00808	0.5
112.01572	0.8
113.02330	48.9
114.02676	1.2
115.03857	0.4
116.70206	0.4
119.03389	20.8
119.04891	1.5
124.01556	1.2
124.21837	0.4
125.02354	4.2
131.03404	2.4
137.02220	0.4
137.09650	1.8
139.00264	0.4
143.03397	7.7
149.04485	2.9
149.09587	0.5
153.09175	0.7
157.21655	0.4
159.02893	1.4
161.04460	17.8
162.04791	0.7
163.03899	1.3
167.03365	0.3
177.01730	0.3
179.05536	12.7
189.12766	1.1
191.05518	0.6
205.01277	0.3
207.13927	0.8
225.11333	0.6
225.14961	0.5
233.04306	0.3
237.09213	0.7
258.04053	0.3
279.53741	0.4
283.09714	0.8
289.07214	0.6
315.72818	0.3
327.08713	6.1
328.08942	0.7
369.09473	0.5
369.19159	5.2
370.19632	0.4
370.92648	0.3
387.20285	4.5
388.20270	0.8
411.20236	0.4
459.13089	0.6
460.12985	0.4
495.22626	0.6
531.24451	46.0
532.17621	0.6
532.24829	7.4
549.25513	39.6
550.25891	6.6
591.17572	0.8
591.26343	3.6
592.26270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.8
57.03324	25.4
59.01251	100.0
61.98687	2.9
69.03316	4.4
70.82449	1.7
70.82793	2.7
71.01252	24.1
72.99191	2.5
73.02810	6.8
75.00740	1.3
82.11542	1.2
82.63219	1.3
83.01242	3.3
85.02814	8.7
87.00765	2.3
89.02310	16.2
99.00748	4.7
99.04400	21.4
100.04757	1.2
101.02324	19.4
103.97588	1.3
113.02338	9.5
119.03379	3.5
125.02331	16.4
128.97908	1.3
131.03397	5.8
135.04367	1.5
143.03377	3.1
149.04491	9.2
161.04460	4.2
171.92824	1.2
180.99966	1.2
184.98412	1.3
185.00882	2.0
188.77884	1.2
191.05476	2.7
280.49667	1.3
343.28607	1.3
369.22751	3.2
387.18091	1.9
397.43491	1.4
429.21347	2.4
447.22330	24.6
448.22504	4.0
460.03885	1.4
487.26794	1.9
487.32886	23.3
488.32983	3.7
489.23441	2.8
505.33881	10.3
591.27069	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.4
61.98702	100.0
62.98409	0.2
70.44168	0.3
70.44576	0.5
71.01254	0.2
79.95618	0.3
80.96414	0.4
91.86691	0.2
94.97948	0.2
108.65701	0.2
109.02811	0.2
125.02322	0.3
182.10574	0.2
255.02913	0.4
307.10510	0.2
473.75424	0.2
533.60498	0.2
593.15656	0.4
593.26880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97446	0.1
59.01247	0.3
61.98704	100.0
62.98395	0.3
69.20777	0.5
69.21196	0.8
78.95805	0.2
80.37222	0.1
80.96388	0.1
125.02323	0.2
127.21027	0.1
209.11732	0.2
225.69888	0.1
237.59648	0.1
255.02948	0.2
266.88916	0.1
284.03384	0.2
293.21225	1.0
307.22943	0.2
389.87219	0.1
493.84988	0.1
518.29016	0.4
593.26270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92200	1.7
55.01756	2.1
57.03322	5.1
59.01251	100.0
61.98706	16.3
68.94032	1.6
69.03325	4.6
69.46899	4.5
69.47321	6.5
69.54290	1.3
70.02853	4.7
71.01254	38.1
72.99163	3.3
73.02825	8.9
74.02333	2.2
75.00757	2.5
76.03731	1.3
78.95773	1.7
83.01266	8.5
83.47321	1.2
83.51743	1.2
84.99219	1.1
85.02823	17.7
85.99944	1.7
87.00751	6.0
88.98695	2.5
89.02317	11.4
93.03361	2.7
95.01280	3.5
95.04884	2.1
96.95859	1.8
97.02831	3.4
98.20551	2.0
99.00782	6.8
101.02323	23.4
102.02634	1.4
105.52065	1.3
105.66671	1.3
109.02871	1.9
111.00748	4.3
113.02324	14.4
119.03385	4.0
121.05210	3.9
125.02340	7.3
131.03316	1.4
135.04411	2.5
137.02332	3.4
138.02931	1.3
141.01836	2.8
143.03419	2.5
150.03104	4.3
151.03883	4.1
161.04488	3.6
161.05975	4.3
162.06319	1.8
165.05458	6.5
173.04477	5.0
173.11839	1.6
177.01865	2.5
190.72955	1.4
191.05528	2.5
191.08905	1.3
227.03403	4.2
240.37418	1.4
255.03023	6.6
278.21182	5.5
280.22791	4.9
284.03281	9.7
285.04166	1.7
289.07227	3.0
290.21252	4.8
291.21753	2.1
292.22885	20.8
296.22647	1.7
308.22290	5.9
358.13840	2.4
372.15991	2.0
373.15988	4.1
387.18008	6.7
388.18579	21.2
388.23560	2.6
389.15802	1.7
389.19135	1.5
404.37778	1.4
407.07983	1.9
413.25464	5.5
417.25006	1.8
431.26553	4.3
440.26535	6.2
441.27237	1.6
442.28192	11.0
452.26498	8.6
458.27612	12.1
459.27502	1.9
460.29144	2.4
470.27570	21.0
471.27646	2.5
473.27353	3.9
488.28674	6.8
494.27844	2.8
506.29764	3.2
512.28217	2.1
532.31812	2.7
533.28351	1.8
592.33282	2.4
593.14996	5.6
593.34503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	1.5
53.93611	1.5
55.01759	1.9
57.03317	4.6
57.46791	1.4
58.04937	1.4
59.01252	100.0
59.09731	1.4
60.01586	1.8
61.98709	13.3
70.02868	5.0
71.01256	34.1
72.99177	5.8
73.02825	14.0
73.94784	2.0
78.95771	1.6
79.05413	1.4
83.01262	7.3
83.04893	1.4
85.02827	16.5
85.99963	3.6
87.00745	6.1
88.98692	3.4
89.02318	9.6
93.03324	1.9
95.01278	2.6
96.95869	1.9
97.02850	3.5
99.00755	3.3
100.03958	1.9
101.02329	19.7
102.02671	1.5
109.02839	2.9
111.00745	5.0
113.02341	11.1
114.02634	1.7
121.05237	3.1
122.02346	2.0
123.04414	1.6
124.01566	2.3
125.02339	8.5
130.06268	1.4
132.18709	1.5
133.02824	1.5
135.04433	1.7
137.02353	2.8
141.01796	2.8
143.03398	2.8
150.03107	3.2
151.03928	3.8
152.99542	1.9
161.04491	4.1
161.05962	5.5
164.04422	1.5
165.05453	5.2
165.17334	1.8
169.69087	1.5
173.04459	4.9
177.01801	3.3
227.03435	3.4
255.02991	5.1
278.21198	4.6
280.22775	4.3
284.03201	8.8
285.03986	2.2
289.07199	2.2
290.21408	4.0
292.22845	21.7
293.23306	2.4
308.22281	4.1
357.13394	2.3
358.13620	2.6
370.22836	1.8
371.23996	2.2
373.16144	3.4
387.18231	10.8
387.22717	2.4
388.13669	2.0
388.18555	24.6
388.23712	3.5
407.07614	2.9
413.25095	3.7
417.24606	2.4
431.26361	4.6
440.26556	5.9
442.28122	8.0
452.26385	7.5
453.26364	2.4
458.27502	9.7
459.27499	3.4
470.27667	21.8
471.27957	3.6
473.27573	4.2
488.28680	7.8
494.27704	1.7
506.29834	2.7
532.31696	2.8
533.29803	2.3
551.30536	1.9
593.15057	5.8
593.34973	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	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
58.65432	0.7
59.01250	31.7
61.98701	13.8
63.99116	1.1
69.43700	4.0
69.44115	1.8
71.01258	1.5
78.95779	15.7
80.40705	0.7
89.02296	0.7
98.20624	1.5
125.02330	2.1
137.02333	1.1
152.99501	4.1
155.15001	0.7
168.04288	3.6
177.01837	2.0
179.14310	1.0
195.13852	10.7
211.13327	1.0
223.13330	8.5
224.06898	2.1
224.13731	0.9
227.03302	1.3
228.13577	1.4
231.21288	0.8
242.07991	5.6
245.15834	0.9
255.02957	3.9
275.20120	4.5
284.03296	3.2
285.04138	1.1
287.10303	0.9
293.21216	100.0
294.21558	12.5
307.22870	1.5
327.62064	0.7
447.21436	2.5
448.21771	0.9
518.28864	80.2
519.29248	12.3
532.31549	1.0
560.16028	2.8
593.15186	2.9
593.36945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89028	0.4
57.03324	4.1
58.97761	0.4
59.01250	20.1
61.98701	10.0
69.03338	0.4
71.01255	1.0
71.52213	0.5
76.62798	0.4
78.89254	0.4
78.95779	10.0
80.96384	1.4
81.12374	0.5
96.96847	0.7
97.06463	1.0
109.06462	0.8
113.09608	17.8
114.09927	0.8
121.02802	0.6
122.98434	0.8
125.02335	1.2
126.02598	0.5
135.11690	0.8
139.11134	1.4
141.09097	0.5
149.09584	0.6
152.99518	2.8
155.10637	0.4
165.01846	1.0
167.10744	2.5
168.04218	2.4
173.65376	0.4
177.01810	0.6
177.12772	2.6
179.10693	2.1
179.14328	1.0
183.13812	0.4
195.13809	3.0
209.11760	1.9
224.06821	1.5
242.07942	5.0
242.76321	0.5
249.22208	2.5
255.02919	0.9
275.20117	1.7
276.20419	0.6
284.03284	1.1
293.21213	100.0
294.21533	11.8
307.22784	14.7
308.23087	1.7
312.20496	0.5
386.51596	0.5
518.28857	42.3
519.29108	7.4
532.30438	7.7
533.31183	0.7
592.25336	1.4
593.14880	1.1
593.25983	1.5
596.01715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	10.0
71.29142	2.1
75.42305	1.1
81.03321	1.8
83.01266	4.9
93.03327	3.4
93.49482	1.1
95.04872	1.7
95.34930	1.0
97.02834	3.7
109.02847	17.0
121.02824	6.8
123.00744	1.4
123.04426	10.8
125.02339	100.0
126.02650	3.1
133.02899	1.4
135.04385	1.9
137.02353	19.7
138.02895	1.2
139.00226	1.4
139.03856	3.1
141.01901	1.4
147.04436	1.2
149.02364	9.4
151.03911	13.4
153.01797	1.3
159.04422	3.0
160.04999	1.1
161.02379	5.1
161.05965	3.4
162.03130	1.2
163.00243	1.9
163.03891	3.3
164.01048	3.1
165.01822	6.8
167.03391	4.2
174.03192	1.2
175.03960	9.5
175.07486	1.1
177.01860	92.4
178.02213	5.8
179.03438	5.0
187.03951	7.2
188.04666	2.4
189.05441	1.6
193.05019	2.0
201.05460	2.1
202.06171	1.3
203.03386	1.1
203.07088	10.6
203.55882	1.1
205.01349	1.2
205.05029	8.2
215.03441	1.3
217.05063	2.5
219.02888	1.6
221.08167	2.3
227.03551	1.5
227.06940	1.4
228.04260	1.7
229.05022	3.8
230.05693	1.4
231.03070	1.6
239.22638	1.1
243.02902	4.7
245.08195	10.3
247.06070	1.4
253.05118	1.5
255.02956	10.5
256.03769	5.0
257.04526	2.1
259.06116	1.3
261.03946	3.2
269.04483	1.7
271.06033	1.3
273.04123	7.1
281.04504	4.0
283.02374	2.4
285.03943	4.2
289.07181	61.8
290.07532	6.0
297.04089	2.4
299.05573	2.2
303.05023	9.0
304.05258	1.5
305.06662	3.2
315.05118	3.0
339.08752	4.2
381.09830	3.3
407.07715	58.8
408.08026	9.3
410.42941	1.1
423.07022	3.2
425.08762	24.2
426.09290	5.1
441.08057	4.2
467.09641	5.3
575.11969	1.8
583.62903	1.1
593.12543	6.7
594.12781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	CHEBI:75666
Peak:m/z	Relative Intensity
51.25729	3.3
57.03317	7.5
59.01237	15.7
67.01735	3.8
69.44713	30.2
71.01252	12.4
81.03298	6.3
83.01264	10.4
85.02840	6.8
87.98325	3.3
89.02332	5.2
93.03317	6.6
93.52299	3.4
95.01268	8.7
95.04861	4.4
97.02821	7.3
97.79188	3.3
99.00745	10.9
108.02035	5.3
109.02843	38.4
111.00751	17.5
113.02328	5.9
119.04899	5.9
121.02827	11.4
123.00774	13.1
123.04436	19.4
125.02324	100.0
126.02641	7.0
133.02826	6.2
134.03609	11.8
135.00745	5.2
135.04410	15.9
137.02338	45.5
138.03027	4.1
139.00253	13.3
139.03886	10.1
141.01830	24.7
147.04436	5.8
149.02350	21.7
149.05991	3.7
150.03104	8.7
151.00253	6.9
151.03894	16.6
153.01852	27.8
159.04454	4.6
161.02351	33.0
161.05945	7.6
162.02876	4.0
163.00276	7.4
163.03923	13.2
164.01041	10.7
165.01837	19.8
165.05490	8.0
167.03409	8.6
173.04402	5.9
173.06001	4.3
173.64798	3.7
175.03932	22.1
175.07509	3.8
176.01068	3.9
177.01863	41.4
178.02429	7.1
179.03375	7.7
181.01303	3.6
187.03940	10.0
188.04466	4.1
189.05557	5.6
191.03374	6.9
193.04942	12.7
195.06551	8.1
199.03937	6.5
201.05463	3.8
203.03470	9.2
203.07193	4.2
205.04999	8.9
213.05484	6.0
215.03308	5.6
217.04927	7.0
227.03467	4.7
229.05052	5.8
235.06137	3.7
241.05028	9.7
243.03041	9.1
245.04570	9.7
245.08133	7.8
255.02953	10.0
257.04340	5.2
259.02466	5.4
259.06219	8.4
261.04025	7.7
273.04056	5.9
284.02975	5.4
285.03937	12.6
287.05402	9.7
289.07214	41.4
297.07721	5.3
301.03476	4.0
301.07108	3.7
303.05084	42.8
304.05457	7.2
305.06473	13.7
315.05093	5.6
321.06207	6.1
329.06754	4.5
333.06512	4.3
353.06488	7.7
395.07468	7.5
397.09326	6.7
399.11978	7.4
407.07657	6.6
423.07236	26.8
425.08487	7.3
431.14642	5.1
437.08813	4.2
441.07980	20.8
442.08578	6.7
467.09576	8.4
551.26099	6.6
575.12036	14.8
593.13306	25.8
594.14362	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83529	0.2
59.01248	1.4
63.02270	0.8
65.00201	0.8
70.85488	0.4
73.02782	0.3
79.05389	0.2
79.31036	0.2
83.01260	0.5
85.02820	0.3
87.04363	0.3
91.01781	0.3
93.03332	1.7
95.01259	0.3
101.33812	0.2
104.36251	0.2
107.01276	2.5
108.02024	0.3
109.02818	0.8
117.03336	0.6
119.01318	0.3
125.02338	0.6
130.04094	0.2
131.04898	0.4
132.02083	0.9
134.49379	0.2
135.00761	1.5
137.02351	0.4
143.04929	1.3
145.02838	0.3
151.00284	3.5
152.01067	0.3
153.01811	0.7
154.04160	0.5
155.04884	0.3
155.10687	0.3
157.06497	1.0
159.04445	1.2
163.00269	3.3
164.01054	0.4
165.01866	1.0
167.04956	0.6
169.01343	0.3
169.06531	0.6
171.04433	1.0
173.02423	0.2
173.05975	0.4
174.03038	0.3
175.03944	0.3
178.99780	0.6
183.04494	1.0
184.05247	0.3
185.02440	0.3
185.06010	2.5
187.03928	3.4
188.79572	0.2
189.05466	1.3
190.99817	0.4
192.00598	0.2
195.04442	0.5
196.05325	0.5
197.05984	1.2
198.03090	0.3
199.03891	1.3
200.04555	0.2
201.05458	0.7
211.03922	2.8
212.04610	0.6
213.05492	2.4
214.02606	0.3
215.03426	0.5
217.04915	0.3
223.03935	0.4
226.02577	0.2
227.03447	37.1
228.03815	3.0
229.05009	13.5
230.05357	1.0
239.03522	2.3
240.04138	1.0
241.04974	2.2
243.02979	0.6
255.02966	67.1
256.03485	8.6
257.04535	9.1
258.04895	0.6
267.02951	1.1
283.02420	1.3
284.03259	76.6
285.04007	100.0
286.04391	8.2
297.04089	0.2
327.05093	1.1
366.41483	0.2
371.24255	0.4
389.25363	0.4
533.29584	0.4
551.31226	0.4
593.15094	76.2
594.15417	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	593.1514
Annotation	Datiscin
Peak:m/z	Relative Intensity
52.79901	0.1
57.54150	0.1
59.01252	0.6
63.02258	0.2
65.00203	0.6
70.68909	0.3
70.69245	0.3
80.11662	0.1
83.01264	0.4
83.40759	0.2
86.67737	0.2
89.02332	0.2
93.03347	0.3
100.16338	0.1
107.01252	1.0
108.02087	0.2
117.03420	0.2
125.02374	0.2
132.02052	0.8
135.00809	0.8
143.04913	0.2
147.25259	0.2
151.00285	2.4
152.01125	0.2
159.04449	0.3
163.00316	0.8
164.01013	0.6
167.04976	0.2
172.05153	0.2
173.87933	0.2
178.99756	1.4
183.04430	1.0
185.02371	0.2
185.06036	0.4
187.03969	0.5
190.99829	0.3
199.03972	0.5
200.04721	0.4
201.05434	0.2
211.03958	1.6
213.05524	0.4
227.03461	34.5
228.03841	2.6
229.04991	1.5
234.10049	0.2
239.03419	0.7
240.04152	0.4
241.04750	0.2
243.02968	0.2
255.02977	66.5
256.03516	8.4
257.04578	1.5
267.02939	0.2
269.04510	0.2
281.04398	0.2
283.02481	1.9
284.03265	100.0
285.03854	17.1
286.04364	0.9
309.03998	0.3
326.04367	0.2
327.05112	0.6
429.08359	2.0
430.08798	0.3
447.09241	0.3
476.97519	0.2
486.36353	0.2
593.15112	64.7
594.15466	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.8
57.03321	1.0
59.01252	18.2
61.98701	2.5
69.03321	0.9
71.01257	8.6
71.53685	0.7
72.99180	0.9
73.02818	4.1
79.05404	2.2
83.01248	2.0
83.04874	0.5
85.02824	3.2
86.03500	0.5
87.00761	1.7
87.04385	1.2
89.02322	4.4
93.03345	1.0
95.01267	0.9
95.04919	0.5
95.75970	0.5
96.95914	1.0
97.02823	0.7
97.06451	1.3
99.00753	0.6
101.02329	5.5
101.05948	0.8
107.01279	1.2
108.02058	1.5
109.02827	0.8
111.04421	1.3
113.02335	4.8
119.03411	1.7
121.02839	1.0
123.04406	1.1
123.08033	0.5
124.01488	1.0
125.02348	1.9
130.73935	0.5
135.04416	1.6
137.06004	1.1
137.09631	0.8
141.09171	0.7
143.03296	0.7
148.01564	1.9
148.85043	0.5
149.02412	0.6
149.04477	0.6
151.00270	3.0
151.03920	1.2
155.10657	0.8
159.04460	0.6
161.04526	1.3
161.05940	0.9
163.00349	0.9
163.03893	0.7
164.01109	0.8
169.01279	0.6
173.04451	1.0
178.99796	2.2
179.05533	0.8
191.05524	0.7
199.03877	1.2
215.03575	0.8
226.02591	1.5
227.03467	6.3
228.03970	0.9
229.05009	0.7
243.02962	10.5
244.03416	0.9
249.47792	0.5
254.02190	2.0
255.02968	31.6
256.03394	3.4
271.02487	52.9
272.02948	5.0
283.02042	0.8
284.03268	8.1
285.03931	4.4
299.01981	1.8
300.02744	100.0
301.03195	11.3
311.22476	0.9
315.05109	1.3
327.12485	0.9
329.23465	0.9
335.22311	1.5
353.23187	5.0
357.13388	0.6
371.11020	1.0
371.24301	2.1
389.15994	2.1
389.25748	3.1
407.07977	0.9
476.29697	0.7
503.28552	1.7
515.28894	1.1
532.28479	0.8
533.29718	8.3
551.30206	2.8
563.31091	0.7
575.13782	0.6
593.15112	58.4
593.31317	3.1
594.15381	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	593.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.4
57.03316	0.6
58.00494	0.2
59.01250	100.0
60.01584	1.1
61.98709	0.4
69.03333	2.9
71.01252	25.6
71.10961	0.3
71.11301	0.5
72.01599	0.5
72.99184	1.5
73.02818	4.5
75.00745	1.0
80.96751	0.3
81.03332	1.8
83.01259	3.6
83.04897	0.5
85.02819	9.7
87.00756	0.8
89.02315	8.5
93.03329	2.0
94.81143	0.2
95.01271	1.4
95.04921	0.9
97.02832	4.5
99.00758	4.5
99.04389	0.9
101.02321	7.8
102.02647	0.3
104.41525	0.2
106.04121	0.3
107.04904	0.2
108.02046	0.8
109.02850	0.8
111.00749	0.4
111.04392	0.7
113.02329	5.5
115.03893	0.9
117.01804	0.7
118.98011	0.2
119.03391	0.4
119.04967	0.3
121.02842	3.0
123.00751	0.3
123.04431	0.6
125.02333	13.1
126.02690	0.4
127.03897	0.6
129.01834	0.8
131.02470	0.4
131.03397	5.6
132.03719	0.4
135.04401	0.3
137.02344	0.6
139.03896	1.6
143.03387	2.0
149.02330	0.3
149.04445	1.4
151.03903	1.4
155.03423	0.2
161.04439	0.6
173.04454	0.5
191.05545	1.8
197.04562	0.2
199.07584	0.3
203.05481	0.3
209.06065	0.3
211.07545	0.9
215.05522	0.7
226.06310	0.9
227.03439	0.3
227.07114	2.3
233.06618	4.0
241.08658	4.9
242.09439	8.1
243.09959	1.0
255.02821	0.3
257.11804	55.5
258.12158	5.5
267.05069	0.2
275.07718	29.2
275.87943	0.2
276.08087	2.1
284.03329	0.7
289.07092	0.5
293.08774	7.8
294.09000	0.6
303.63419	0.3
329.13812	0.3
335.09851	3.8
336.09995	0.4
448.57843	0.2
489.34192	0.8
507.35165	0.3
533.20313	0.4
534.20728	0.3
549.32727	0.5
551.21326	0.4
593.15735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03311	0.6
59.01254	5.9
61.98709	2.2
63.96099	1.0
64.43177	0.3
69.03286	0.4
71.01252	7.1
71.23817	0.7
73.02821	1.6
78.95789	2.5
78.98464	5.2
79.95119	0.9
79.95609	36.4
80.96390	57.3
81.03338	0.4
85.02813	2.6
87.00749	2.5
94.97961	13.4
96.95883	1.3
97.02837	1.2
101.02332	2.7
106.97966	2.2
113.02350	0.6
113.09632	0.7
115.75744	0.4
122.97468	2.8
125.02337	2.2
127.03831	0.6
134.97472	4.2
136.99049	1.5
141.19325	0.4
148.99052	5.0
152.98523	5.2
152.99574	0.6
161.04480	1.6
164.98544	11.5
165.98843	0.5
168.04205	0.6
170.76733	0.4
188.98582	0.4
195.13838	5.1
206.99599	3.5
225.00700	15.1
226.01015	0.7
241.00226	2.3
242.07967	0.9
243.01680	0.6
277.21735	4.3
284.03116	0.6
293.20990	0.5
295.22775	26.3
299.04395	3.6
315.03979	1.2
341.05493	1.1
371.06537	3.3
385.08121	1.7
399.09891	1.8
413.11481	2.5
441.14035	0.9
455.15939	3.2
481.17285	0.7
495.19064	2.4
520.30481	19.9
523.18298	1.0
524.19128	0.7
551.59753	0.4
593.26355	100.0
594.26709	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	593.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01256	2.8
61.98709	5.7
63.96108	0.8
66.18677	0.4
69.03332	0.8
71.01254	7.1
73.02814	1.5
78.98463	4.7
79.86694	0.4
79.95609	33.9
80.50985	0.4
80.96392	56.9
81.03328	0.5
83.01241	0.5
85.02850	2.3
87.00736	2.1
94.97964	13.1
95.01283	0.7
96.95880	0.7
97.02840	1.2
99.00756	0.8
101.02322	2.4
106.97956	2.8
113.02329	0.6
118.17055	0.4
122.97487	3.8
125.02348	3.7
127.03887	0.6
134.97464	3.4
136.99039	1.6
148.99060	5.0
152.98543	5.7
161.04422	0.7
164.98550	9.4
168.80746	0.4
179.00041	0.6
182.99608	1.5
195.13895	0.5
206.99646	3.3
222.52686	0.4
225.00708	17.0
241.00240	0.9
243.01732	1.8
255.02966	1.5
284.03244	1.6
285.03842	0.7
285.70352	0.4
293.21304	0.7
299.04361	4.4
315.04163	0.7
359.99796	0.4
371.06448	1.8
385.08093	0.7
399.09628	1.6
407.08356	0.5
413.11258	0.9
422.62436	0.4
441.14407	0.7
455.15948	1.9
495.18774	2.1
523.18408	0.9
524.19208	0.7
577.91235	0.5
593.26355	100.0
594.26678	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33240	0.6
59.01237	2.7
61.98720	0.9
64.20426	0.6
66.09525	0.7
66.90805	0.6
71.51924	1.4
78.95776	84.5
79.25076	0.6
89.02312	1.3
96.96843	18.4
102.04340	0.6
119.03332	0.7
121.02846	2.2
125.02365	1.6
134.98392	0.7
136.12582	0.7
150.97939	1.3
152.99492	73.1
153.99847	1.0
171.00406	0.8
177.01787	0.7
209.04536	1.6
209.11722	3.4
223.00079	2.9
227.03387	1.2
228.03853	0.7
238.39310	0.8
241.01155	34.3
255.02994	1.6
259.02121	0.9
277.21725	54.9
278.22070	5.1
284.03198	2.1
315.04865	13.0
333.05823	1.0
358.60623	0.8
403.96863	0.8
407.07513	0.8
412.76462	0.8
413.21072	6.5
414.21359	0.9
431.22400	1.9
593.27307	100.0
594.27594	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.2
61.34545	0.3
62.96261	0.5
70.06354	0.3
78.53140	0.4
78.95778	74.8
96.96845	14.3
103.49106	0.4
107.25755	0.3
125.02197	0.4
150.97922	1.2
152.99492	100.0
153.99846	1.7
169.40627	0.4
171.00539	3.2
180.60477	0.4
222.97812	0.7
223.00067	10.6
224.00499	0.7
233.22949	0.5
241.01157	26.4
242.01524	0.5
259.02307	2.0
260.87131	0.4
277.21725	48.1
278.22006	5.4
315.04855	19.9
316.05276	0.8
333.05859	1.4
415.31900	0.4
593.27319	78.6
594.27631	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
70.85299	0.7
71.01261	0.7
72.64001	0.5
78.95778	71.1
96.96840	12.3
107.99438	0.4
121.02870	0.7
125.02306	0.6
150.97945	0.9
152.99498	100.0
153.99832	1.9
171.00597	2.5
175.88599	0.5
191.91800	0.5
223.00108	10.2
241.01154	24.8
242.01477	1.0
255.03035	0.7
259.02182	1.5
275.19928	0.5
277.21729	41.4
278.22009	4.8
284.03302	1.1
289.07333	0.6
315.04855	16.5
333.05948	1.7
358.72302	0.5
593.27319	83.0
594.27710	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	593.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.3
58.19352	1.2
59.01251	100.0
59.85441	1.3
60.01593	1.6
61.98715	2.5
68.38319	1.3
69.78168	1.1
71.01257	16.6
73.02842	3.0
78.51656	1.3
83.01269	3.1
85.02822	9.1
87.00752	2.1
89.02314	3.3
97.02890	1.3
99.00724	1.8
101.02344	8.0
113.02328	9.6
119.87485	1.2
125.02325	1.6
143.03311	1.2
154.94751	1.3
161.04446	1.6
284.03232	1.8
307.13449	1.4
345.26398	2.1
345.30112	3.8
471.19342	1.3
489.34320	47.7
490.34793	6.4
507.35440	19.2
508.35522	2.8
549.36487	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.9
59.01253	100.0
61.98690	4.0
62.19301	2.0
64.74494	2.3
69.03320	3.4
71.00909	2.4
71.01259	33.7
71.32611	5.0
73.02829	10.7
83.01260	4.0
85.02824	11.8
87.00779	2.4
88.33485	2.0
89.02335	12.5
95.01274	2.8
97.02817	4.1
99.00764	5.0
99.53057	2.0
101.02329	16.4
111.00734	3.3
113.02326	13.8
119.03422	2.1
125.02358	10.7
137.02319	2.7
143.03467	2.2
149.02240	1.9
155.10596	2.8
161.04436	6.2
177.01784	2.1
224.69261	2.2
255.02977	7.0
261.71234	2.4
277.41742	2.1
284.03192	8.6
285.04056	2.8
289.07275	3.9
296.08160	2.3
345.30045	6.4
428.73593	2.3
489.34351	64.3
490.34729	11.6
507.28003	1.6
507.35303	37.7
508.35638	4.3
549.36285	5.7
593.15137	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	593.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97887	1.2
55.01756	1.4
57.03322	2.7
59.01251	100.0
60.01587	1.4
61.98697	12.2
62.33274	1.4
69.03348	2.0
69.27422	2.4
69.27824	11.3
71.01253	24.6
73.02816	10.2
78.95776	5.0
83.01237	4.3
85.02822	12.2
85.99957	1.4
87.00761	2.1
89.02312	8.5
95.01283	4.3
97.02831	2.5
99.00770	2.3
101.02321	12.2
111.00759	1.6
113.02323	9.1
119.03372	2.1
125.02337	5.3
143.03407	3.9
149.42021	1.3
161.04402	2.6
173.04530	2.1
177.01816	1.8
182.67123	1.4
227.03362	4.2
239.42674	1.5
255.02959	5.7
256.03592	1.8
284.03137	8.2
301.53900	1.8
320.31531	1.6
345.30099	5.7
489.34329	47.4
490.34552	6.6
507.35333	26.5
508.35736	4.2
549.35327	2.3
593.15698	7.2
594.29822	4.0
601.95007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70632	0.5
57.03313	0.9
59.01254	24.8
61.98699	1.8
64.81359	0.5
70.57691	1.5
71.01257	1.0
78.95780	10.4
79.95612	2.2
80.96393	4.2
83.04884	0.8
83.14885	0.5
85.02833	0.6
94.97985	1.2
99.08041	0.6
113.09624	1.6
152.99529	3.3
164.98590	0.6
166.19524	0.5
168.04250	2.4
179.14372	1.0
181.12140	0.5
195.13846	21.1
196.14146	0.9
224.06920	1.2
242.07887	4.1
243.08418	0.5
273.46341	0.5
277.21732	17.2
278.22076	2.0
293.21240	0.6
295.22794	100.0
296.23093	10.2
296.26361	0.9
309.05954	0.5
329.92175	0.5
449.23077	1.6
520.30463	71.4
521.30841	11.4
594.26617	6.5
595.27289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	32.5
63.02271	4.3
65.00188	15.3
69.22352	29.7
69.22776	9.7
70.08056	3.1
70.45846	3.0
71.01250	20.9
73.02807	9.1
83.01261	10.2
85.02816	6.1
87.00752	10.0
87.04388	4.0
88.74319	3.4
89.02301	8.4
94.86409	3.3
95.01247	8.0
101.02332	11.5
101.55247	3.2
107.01283	10.9
108.02056	6.0
109.02834	8.0
110.00014	6.6
110.95330	3.5
111.00759	45.6
113.02299	6.4
122.03641	7.2
123.00793	11.1
123.04405	14.3
124.01532	4.4
125.02330	7.4
132.02089	4.9
135.04547	3.7
136.98701	8.2
137.02347	7.9
137.99458	9.8
139.00284	64.1
148.01575	10.3
149.02354	7.4
151.00284	32.4
152.01067	4.4
153.01790	4.5
154.99773	21.8
158.03767	3.9
159.04417	6.8
161.02348	6.6
162.76826	3.5
163.00261	8.7
164.98203	11.7
165.99011	11.2
166.99760	7.8
167.03462	5.1
169.01306	6.9
173.02382	3.8
175.00259	15.0
175.03911	7.4
175.35829	3.8
178.99792	28.5
181.98537	5.4
186.03157	5.0
187.03983	6.7
188.04826	4.2
189.01894	8.0
190.99820	8.4
193.01332	3.6
194.99396	5.1
198.03102	4.2
201.01805	4.8
202.02614	11.7
203.03488	8.3
204.04118	4.9
205.01247	4.9
206.99234	3.8
213.01865	6.1
214.02647	5.9
215.03453	9.3
216.04317	4.6
217.01451	5.4
219.03081	5.1
220.00072	8.5
229.01401	5.3
229.05103	3.8
230.02107	6.8
231.02966	8.7
232.03679	7.9
235.02438	21.6
241.01233	3.9
242.02161	15.1
243.02950	10.3
245.00903	4.6
246.01675	5.0
247.02495	4.5
247.06073	10.0
257.00861	7.6
257.04279	6.0
258.01746	12.1
259.02457	9.3
260.03259	7.5
261.00351	3.9
261.04062	10.0
269.00854	6.6
270.01688	9.2
271.02515	15.9
285.04077	18.2
286.01178	19.5
286.03958	4.4
287.02005	21.6
288.02826	5.6
297.00418	6.1
299.01996	5.7
300.02606	5.8
301.00272	3.3
301.03430	17.3
302.04333	5.0
303.01450	31.2
303.05087	28.7
304.01901	4.7
309.11469	3.5
314.00586	9.0
315.01526	6.4
319.04373	4.5
329.02979	63.6
330.03558	11.0
331.01105	16.0
331.04572	6.3
332.01746	19.2
346.03378	24.2
347.04056	42.0
348.04462	5.2
509.09308	8.3
519.07684	7.5
523.10815	4.2
533.09351	4.0
535.30951	10.5
551.10468	100.0
552.11005	17.1
560.62671	3.4
594.32697	4.3
595.10297	4.2
595.33398	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	595.1308
Annotation	Quercetin 3-vicianoside
Peak:m/z	Relative Intensity
59.01255	5.9
65.00198	0.9
71.01250	2.7
73.02808	1.1
83.01230	1.3
87.00770	1.2
89.02309	2.6
98.33701	0.7
100.08675	0.8
101.02287	1.7
107.01276	2.4
108.02072	2.0
115.00262	2.5
121.02797	1.4
125.02346	1.5
148.01538	1.6
149.02303	1.3
150.03127	0.9
151.00255	5.0
155.10677	1.1
163.00331	1.1
175.02437	4.5
175.03780	0.9
178.99777	3.4
179.07004	1.0
193.04849	0.8
199.03889	1.1
212.65891	0.9
216.04250	0.9
226.02646	1.7
227.03458	3.2
229.08588	1.2
239.42940	0.9
243.00584	1.0
243.02956	11.2
247.09192	0.8
254.02225	2.2
255.02975	27.9
256.03238	1.9
271.02466	58.5
272.02930	5.4
299.01920	2.4
300.02740	100.0
301.03311	15.9
302.03839	1.2
379.65002	0.9
535.31012	1.1
550.21954	0.9
595.13031	57.3
596.13336	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	595.1667
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01259	2.2
69.03311	1.8
71.01254	2.3
71.29512	1.6
79.01784	2.2
81.03324	2.9
83.01245	5.9
93.03336	7.6
95.01257	2.6
95.04899	2.1
97.02843	7.8
100.03252	1.5
107.01271	8.6
107.04897	3.1
109.02814	5.0
111.04382	3.1
119.04919	57.6
119.75677	1.7
121.02831	5.9
123.04396	6.0
125.02345	13.9
135.04402	4.2
137.02321	6.2
139.03900	9.4
143.04951	8.0
145.02835	10.8
147.04445	3.0
149.02324	7.2
151.00281	5.4
151.03899	3.5
159.04390	2.0
161.05971	1.8
163.00266	4.8
163.03902	6.5
164.01085	2.3
165.01855	9.2
167.03450	13.1
177.01848	7.7
178.02669	2.1
179.03448	4.4
187.03937	12.1
189.01889	1.9
189.05508	1.8
190.02649	1.6
191.03477	5.8
193.01343	14.6
197.04463	3.0
199.07619	4.3
203.03438	2.3
205.01334	11.6
205.05005	2.4
207.02986	3.9
209.04506	6.6
219.02960	5.2
223.02458	3.5
224.75641	1.5
227.07175	3.7
235.02441	22.6
239.05540	3.7
245.04761	1.8
245.08026	1.8
249.04034	4.6
261.03986	2.0
265.03479	8.3
265.08813	1.6
271.06107	5.8
283.06253	3.8
311.09210	1.8
313.07144	25.0
325.07086	8.9
326.07562	2.0
339.08466	3.0
343.08289	6.5
355.08234	100.0
356.08585	8.9
367.08136	5.4
385.09268	79.1
386.09705	10.1
397.09250	3.1
415.10358	26.2
416.10654	3.2
439.10263	2.2
457.11407	8.4
475.12396	36.2
476.12769	7.2
487.12466	7.0
505.13510	11.4
577.15308	3.9
595.16681	85.1
596.17096	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	595.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39442	0.4
59.01232	0.6
62.96270	0.6
63.58680	0.5
63.84079	0.5
70.39584	0.8
71.01288	0.4
76.83434	0.5
78.95776	67.2
88.84409	0.5
88.98659	0.5
96.96843	13.7
126.15209	0.5
133.46291	0.4
137.22276	0.4
150.97935	1.1
152.99490	100.0
153.99828	1.9
171.00539	2.8
190.89685	0.4
209.11740	0.7
223.00087	10.1
241.01144	26.0
242.01416	0.9
259.02176	1.2
279.23285	58.4
280.23651	6.9
315.04868	16.7
316.05084	0.8
332.02206	0.5
333.06036	1.2
367.89658	0.6
415.22647	0.6
505.81631	0.5
566.28271	0.5
595.28894	91.1
596.29218	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	595.2891
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.50315	0.7
64.80740	0.6
68.90058	0.6
70.19375	2.8
78.95778	76.3
96.96836	13.6
96.97421	1.0
118.79811	0.6
152.99493	100.0
153.99852	2.4
171.00587	2.6
196.92616	0.7
223.00099	12.1
241.01158	26.6
259.02158	1.6
279.23294	67.9
280.23645	7.3
315.04910	16.3
333.05862	1.6
407.87061	0.7
595.28894	88.4
596.29285	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
73.42682	0.7
78.95777	73.4
96.96849	16.2
99.00694	0.8
105.51556	0.7
150.97952	0.8
152.99493	67.6
153.99878	1.0
171.00519	1.0
181.12286	1.4
181.47855	0.7
223.00076	2.3
225.11339	1.4
231.84377	0.7
241.01149	32.2
279.23294	64.4
280.23654	6.5
315.04880	10.4
364.18286	0.8
415.22571	6.8
433.23538	2.0
595.28931	100.0
596.29156	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
59.01249	3.4
60.01584	0.2
61.98702	100.0
62.98408	0.2
67.30369	0.1
69.03327	0.2
71.01255	0.8
73.02830	0.3
73.96921	0.1
81.10769	0.1
85.02834	0.4
87.00742	0.1
89.02328	0.4
95.16379	0.1
101.02329	0.5
113.02332	0.3
115.35758	0.1
125.02377	0.2
138.27078	0.1
161.04608	0.1
173.04575	0.1
184.20197	0.1
191.05655	0.1
242.26926	0.1
271.06079	0.1
272.07114	0.2
273.07666	0.3
349.20255	0.2
435.12735	0.2
537.33069	0.2
553.26721	0.2
597.18921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.7
60.99141	0.2
61.98701	100.0
62.98403	0.3
65.50175	0.2
67.77625	0.2
69.78234	0.4
69.78638	1.1
71.01247	1.4
73.02815	0.7
75.00751	0.5
76.86887	0.2
82.36774	0.2
83.01277	0.4
83.95670	0.2
85.02847	0.7
87.00753	0.4
88.98693	0.5
89.02334	0.5
91.42466	0.2
93.03320	0.4
98.20535	0.2
101.02337	0.6
102.65959	0.2
113.02344	0.5
124.38039	0.2
125.02393	0.4
133.06583	0.2
135.04475	0.4
137.02333	0.3
149.02434	0.2
153.00113	0.7
154.00856	0.6
155.10728	0.5
161.04506	0.2
173.04512	0.4
179.07086	0.3
191.05481	0.3
199.09660	0.3
244.88409	0.2
257.08124	0.2
290.06210	0.6
305.08533	3.5
305.11786	0.2
306.09018	0.4
333.20673	0.3
509.14706	1.4
510.15332	0.4
596.31403	0.4
597.25128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35008	5.8
59.01260	29.5
63.06949	5.1
65.00199	17.5
69.03317	7.6
69.29772	56.1
71.01243	14.2
72.85242	5.1
73.02833	16.8
75.00760	7.2
81.03332	16.6
83.01275	16.2
87.00749	7.8
93.03332	13.2
95.01231	12.2
95.04914	7.6
97.02811	6.5
98.19835	11.2
99.00730	7.2
101.02305	11.9
103.32918	6.3
107.01260	7.7
109.02838	26.6
111.00771	22.8
113.02304	8.9
119.04926	19.6
121.02789	8.8
123.00734	11.3
123.04385	17.7
125.02330	36.8
131.04848	6.2
133.02814	7.4
135.04405	10.6
137.02293	23.8
137.06012	8.6
137.99457	7.9
139.00290	31.1
139.03935	11.1
141.01839	7.2
147.00772	6.9
147.04390	7.9
148.01613	8.1
149.02342	11.7
151.00272	37.8
152.01021	10.3
153.01814	9.6
154.99762	36.3
155.10741	12.0
161.02361	10.1
163.00348	6.1
163.03906	8.1
164.98207	18.4
165.01854	20.3
165.05478	7.1
166.99789	20.8
167.03418	29.8
169.01334	9.9
171.04359	8.7
175.03877	7.4
177.01866	38.8
178.99750	30.1
179.03456	12.3
181.01355	33.2
184.00040	9.3
185.00827	12.9
187.03960	10.7
189.01788	9.5
189.05499	13.3
190.99768	12.2
191.03444	7.1
192.00470	10.5
192.04205	5.8
193.01416	11.2
194.99341	30.3
201.01973	13.2
203.03391	7.1
205.01418	16.4
207.02914	7.8
208.00012	7.7
209.00844	9.3
209.04503	36.7
215.03477	11.4
219.02892	11.4
221.04449	8.1
223.63307	5.4
226.19769	6.0
227.00262	6.2
229.01393	16.1
231.03044	19.2
233.04562	8.5
239.05566	16.8
243.02913	16.1
247.02440	8.5
259.02444	21.5
263.19073	6.0
269.01035	6.7
271.02423	9.5
275.01929	13.8
285.00586	10.8
287.01947	27.1
299.02005	6.5
301.03546	8.1
303.01468	27.1
313.00006	18.2
315.08673	17.5
327.08746	7.8
331.00986	84.6
332.01300	8.8
345.10001	7.8
357.09802	100.0
358.10223	8.5
387.10806	79.6
397.07623	24.7
399.09918	9.1
413.07147	8.9
417.06793	14.8
417.11746	21.1
443.08618	9.7
459.13000	10.2
477.14008	29.7
489.13577	6.9
511.07547	6.7
535.07129	11.7
536.31268	10.0
537.32465	7.3
553.08197	12.0
597.18298	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69384	0.4
56.17807	0.5
57.03302	0.7
59.01255	3.2
61.98685	0.7
62.39409	0.5
63.13326	0.4
67.01752	1.0
68.99652	2.0
69.03302	1.4
71.01249	4.2
71.33503	0.8
72.99170	0.7
73.02781	2.1
75.00694	0.6
76.20499	0.5
81.02901	0.5
81.03328	9.0
83.00809	0.7
83.01259	7.2
85.02842	2.6
89.02334	0.7
93.03337	6.8
95.01287	2.2
95.04910	6.6
97.02838	4.6
99.00736	0.8
99.04395	2.7
101.02294	1.5
105.03326	0.7
107.04917	2.5
107.25847	0.5
108.02032	1.1
109.02842	3.9
109.06451	1.2
110.97856	0.5
111.00756	0.8
111.04407	3.4
113.02357	3.2
119.03470	0.6
119.04919	10.0
121.02854	4.2
121.06451	1.4
122.03587	0.8
123.00765	0.9
123.04414	18.9
124.04720	0.8
125.02342	14.1
130.60892	0.5
133.01295	1.6
133.02831	0.5
133.06458	0.9
135.04416	5.6
135.08003	0.7
137.02342	6.0
137.05057	0.6
137.05989	8.2
137.09576	1.2
138.03134	0.9
139.03915	11.4
140.04196	0.6
142.94728	0.5
143.04901	0.5
145.02829	0.9
147.04434	4.3
149.02289	1.8
149.05937	1.9
150.03105	0.9
151.00342	0.5
151.03914	5.3
153.05418	2.0
155.03394	1.0
155.10686	11.7
156.11040	0.5
159.04393	1.1
161.02353	0.7
161.05995	2.4
163.03932	4.3
163.07527	1.6
164.01192	0.5
164.04623	0.9
165.01826	2.6
165.05504	8.7
166.02554	1.9
167.03413	34.3
168.03691	1.7
173.05943	0.7
175.03883	0.7
177.01836	1.3
177.05528	2.8
179.03427	9.7
179.06985	1.9
180.04094	1.1
181.05055	3.0
189.03979	0.8
189.05513	9.5
190.05826	0.8
191.03522	2.8
191.05058	0.6
191.07008	0.8
193.01303	0.8
193.04976	4.8
197.04477	5.5
199.09726	4.4
203.03436	0.7
203.06952	0.7
205.04936	1.3
206.02112	0.6
207.02881	0.5
207.06538	2.2
209.04500	31.1
210.04788	1.8
219.02905	1.5
219.06509	1.0
221.04527	5.7
222.04813	0.9
223.06053	1.3
229.08647	2.0
231.06668	0.6
233.04501	1.7
235.06012	1.6
239.05576	14.6
249.03903	0.5
251.05557	5.9
263.05624	2.0
269.06494	2.6
271.09772	0.7
273.07715	4.4
275.05533	0.9
281.06674	1.6
285.07730	1.4
287.09238	0.5
299.09259	1.0
315.08752	19.2
316.09021	2.0
327.08719	9.7
328.09122	0.7
329.10376	0.9
339.08499	0.7
341.10147	1.5
345.09796	6.1
346.09964	0.8
354.07379	0.9
357.09787	100.0
358.10153	10.5
369.09769	4.2
371.11340	1.2
387.10861	72.3
388.11224	8.1
399.10837	4.7
400.11484	0.5
417.11938	24.1
418.12119	2.7
429.11807	3.0
435.93271	0.6
441.11865	1.3
459.12958	9.3
460.13284	0.7
465.18552	0.7
466.20618	0.5
471.12955	1.2
477.14047	20.5
478.14325	2.7
479.21426	4.8
480.21927	1.0
485.67911	0.5
489.13998	6.4
507.15091	2.0
537.32544	1.8
579.17377	0.7
597.17267	8.7
598.18390	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	597.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83535	0.3
55.23322	0.3
57.03333	0.7
59.01249	100.0
59.17273	0.3
60.01581	1.4
61.98710	3.3
65.00233	0.3
69.19061	0.6
69.19470	2.8
71.01250	4.4
71.22066	0.3
72.99203	0.4
73.02824	2.5
75.00757	0.5
80.45494	0.3
83.01278	0.9
83.04903	0.6
85.02824	2.0
87.00772	0.6
89.02319	1.3
93.03345	0.4
95.01225	0.4
98.19758	0.6
101.02324	2.6
109.02840	0.9
113.02298	2.1
116.16322	0.3
121.02855	0.5
123.04412	0.5
125.02347	2.8
126.23486	0.3
131.03424	0.4
133.37265	0.3
136.05276	0.3
137.02348	1.5
149.02467	0.3
151.03880	0.8
161.02376	0.6
161.04506	1.2
163.00371	0.3
164.01067	0.3
165.01819	0.6
167.03418	0.6
173.04393	0.7
179.03368	0.4
191.05550	0.6
200.50084	0.4
268.12219	0.5
289.07272	0.6
289.21771	1.1
300.11179	0.4
305.21011	0.4
333.20712	4.4
334.21063	0.4
349.20175	1.1
418.17575	0.6
436.18954	1.4
477.24918	5.8
478.25586	0.7
495.26022	2.9
537.26935	4.1
538.27484	0.6
598.24048	0.8
598.78705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01252	100.0
60.01589	1.0
61.98693	3.3
69.03333	0.4
69.35812	2.5
71.01255	7.4
72.99194	0.5
73.02819	8.1
83.01267	2.2
83.04922	0.4
85.02817	2.1
87.00758	0.4
88.98694	1.1
89.02307	2.0
89.02770	0.2
93.03360	0.3
95.01271	0.6
97.02848	0.4
99.00779	0.5
99.04404	0.4
101.02328	8.1
109.02856	0.3
112.01553	0.3
113.02322	2.5
119.03401	0.6
121.06549	0.4
125.02386	0.8
131.03444	0.6
137.02316	0.3
143.03452	1.0
149.04501	1.1
155.03410	0.4
161.02420	0.3
161.04468	2.4
191.05573	0.3
195.06628	0.3
214.17967	0.3
221.06680	0.3
235.13448	0.4
245.84079	0.3
270.96011	0.3
271.20697	4.4
271.23373	0.4
272.21100	0.5
287.20355	0.6
305.21274	0.8
315.19696	3.7
316.20154	0.5
333.20816	0.4
349.20111	2.3
350.20712	0.4
436.18967	0.6
477.24948	11.9
478.25146	2.3
495.26096	3.8
537.26978	3.9
538.27832	0.9
553.26880	0.8
597.23767	0.9
597.33331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3044
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
52.85211	0.5
53.85515	0.5
56.79259	0.5
78.14447	0.5
78.95775	66.4
96.96844	13.7
97.19107	0.5
98.20678	1.2
142.35310	0.7
144.89516	0.7
150.97945	1.1
152.99492	100.0
153.99867	1.7
171.00548	2.5
223.00050	9.3
241.01143	25.4
242.01566	0.5
259.02286	2.2
279.99469	0.7
281.24847	67.1
282.25226	7.8
315.04858	15.7
333.05942	1.3
356.64041	0.6
410.39844	0.5
597.30450	87.6
598.30786	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	599.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55347	5.6
59.01253	6.9
70.77677	6.1
71.48330	9.9
75.06633	6.4
87.00737	8.6
89.02303	15.1
109.02837	9.5
111.04411	16.6
112.98700	11.1
125.02300	9.5
134.03568	9.7
135.04422	54.8
145.01341	7.8
149.04468	25.1
155.03409	12.7
161.02316	11.2
173.04704	12.0
174.03271	7.1
175.03900	21.0
179.03418	24.1
189.05444	8.4
191.05486	9.1
199.04071	37.7
213.05646	7.5
217.05069	17.5
231.03165	7.5
243.03006	15.8
253.04996	11.2
255.02846	10.3
257.04611	10.2
259.66733	7.2
271.02603	7.0
271.06161	15.3
289.07071	8.8
297.04099	11.1
299.05603	8.4
319.46927	6.6
361.07346	14.1
405.09082	8.8
419.10040	24.9
423.10913	42.9
437.11197	21.9
449.08606	22.2
560.56305	6.8
599.14294	100.0
600.14813	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	599.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78936	0.7
57.03316	1.0
59.01253	24.1
60.01579	1.3
61.01682	1.0
61.98693	2.9
65.63770	0.6
67.08698	0.7
69.03318	1.9
69.78362	2.3
71.01250	4.8
71.04903	0.8
73.02814	4.1
74.85338	0.6
75.00768	1.0
76.10310	0.8
77.81139	0.6
81.06954	4.6
83.04900	2.7
85.02810	0.9
87.04400	0.8
95.04897	8.7
96.95881	0.7
98.03616	1.3
98.20484	1.4
99.04391	4.9
101.02318	4.2
107.04914	2.1
113.02340	1.2
113.05967	7.1
119.08569	6.3
121.06512	1.0
125.02333	0.9
137.09619	12.0
157.52475	0.7
163.07489	1.3
167.10715	3.7
181.08636	5.8
198.88609	0.9
218.83310	0.7
219.13637	1.0
219.17511	1.1
234.83826	0.7
263.16489	1.6
333.20642	1.9
335.22235	0.9
347.50165	0.8
351.21756	100.0
352.22150	11.5
393.22720	1.5
479.25555	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37638	0.8
57.03320	1.5
59.01247	28.4
60.01574	1.1
61.01672	1.0
61.98701	5.5
69.03331	3.4
69.34579	4.8
69.35004	3.3
71.01247	5.4
73.02819	5.1
81.06969	5.3
83.04902	3.5
86.34552	0.9
86.68123	0.9
89.02338	1.1
95.04903	9.8
96.95918	2.5
97.02808	1.2
98.19766	1.9
99.04359	5.8
101.02319	4.4
107.04924	3.1
109.06490	1.1
113.02341	1.7
113.05956	7.2
119.08544	7.7
131.51836	1.0
137.09607	12.9
140.18851	1.1
149.02286	1.2
155.10797	1.0
160.30359	0.8
163.07535	1.3
166.02240	1.0
167.10744	5.2
170.38011	0.9
171.10162	5.2
179.03348	1.0
181.08621	8.8
189.38928	1.0
209.11790	5.4
219.13676	1.2
247.25993	1.0
288.23349	1.2
333.20840	2.0
335.22183	1.5
351.21744	100.0
352.22067	12.9
356.89917	1.2
369.42328	1.2
393.22800	1.9
479.25586	2.6
599.24628	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
58.03357	0.3
59.01251	100.0
59.63233	0.3
60.01587	1.3
61.98703	13.1
69.03319	0.5
71.01252	5.9
71.04898	0.4
71.53744	0.5
72.99200	0.7
73.02806	1.6
78.07317	0.4
83.01259	0.7
85.02829	2.5
87.00737	0.5
88.41365	0.3
89.02327	2.8
93.03358	0.7
93.50844	0.3
95.01279	0.6
97.02837	0.7
97.06503	0.3
99.00787	0.7
101.02319	4.0
109.02899	0.7
111.39309	0.3
113.02330	3.3
119.03397	1.1
125.02342	1.0
131.03458	0.5
135.04463	0.4
137.02348	0.4
143.03427	0.5
149.04549	0.5
151.00305	0.4
155.10687	0.6
161.04445	2.4
163.00520	0.3
165.05501	0.4
167.03407	0.3
167.60175	0.3
173.04521	0.8
179.03378	0.4
179.05621	1.1
191.05522	0.7
272.52713	0.3
289.21579	0.4
300.02521	0.4
315.05188	0.4
317.21335	1.5
333.20883	0.5
335.22321	2.3
351.21960	0.9
479.26877	2.2
495.18848	0.3
495.26273	1.3
497.27896	0.9
521.26111	0.4
539.28400	4.2
540.29657	0.6
555.28113	6.1
556.28369	0.8
599.20911	0.4
599.31476	0.4
600.31268	0.4
604.00598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22930	52.8
71.01259	7.1
73.44212	5.3
75.47520	4.6
89.02323	17.2
94.93221	5.7
98.19774	12.1
106.21203	5.3
109.32299	5.3
113.84346	5.3
116.49558	5.1
122.63107	5.3
122.98722	5.3
125.02337	14.2
135.04424	21.4
137.02322	8.9
147.33209	5.7
149.04457	100.0
161.02344	7.0
173.04475	18.5
179.03421	24.5
191.05566	13.6
200.21677	5.5
289.07095	14.6
311.07764	26.2
470.85226	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	601.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.5
59.01252	13.2
61.98699	1.0
66.69414	0.4
67.01745	0.7
69.03336	3.9
70.51643	1.0
70.51975	0.9
71.01257	4.0
71.04887	2.5
73.02831	2.7
81.03313	1.0
81.06980	0.9
83.01270	0.6
83.04902	2.7
85.02820	1.9
87.04385	4.2
87.99597	0.5
89.02332	1.3
93.03332	2.0
95.04926	0.6
97.02833	1.0
97.06435	0.7
99.04399	11.9
101.02335	1.6
101.05972	2.8
109.02837	0.7
109.06472	3.7
113.02321	2.0
123.04427	0.7
123.08032	0.6
125.02317	3.3
125.05947	0.5
127.07542	1.2
133.51854	0.5
135.04375	0.7
135.08067	0.7
137.02327	1.2
141.09087	0.6
151.03995	0.7
153.09090	3.0
161.02321	0.6
165.12778	0.7
171.10120	0.7
173.04501	2.5
177.01845	0.7
181.12218	1.1
191.05571	1.1
209.11810	0.5
223.17067	0.7
247.17160	0.7
252.56882	0.6
264.04932	0.6
274.68195	0.6
275.20218	0.6
283.13367	1.8
289.07190	0.8
299.01752	0.7
301.14539	0.6
307.22699	0.8
309.24362	0.6
332.97668	0.4
335.22177	0.6
352.22208	0.6
353.23318	100.0
354.23630	11.3
367.24796	0.6
395.24283	1.6
480.67816	0.7
585.23633	1.5
620.21033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94244	4.5
59.01253	65.2
59.56855	6.2
61.98691	14.4
69.03336	4.9
70.27962	19.1
71.01259	19.1
71.04892	7.4
73.02819	10.8
85.02836	8.8
89.02328	7.4
94.32394	4.4
101.02335	8.2
107.43214	4.9
113.02298	11.0
125.02397	6.4
133.16005	5.4
137.02290	4.8
141.12735	18.4
149.62927	5.0
169.12029	4.8
171.10194	73.0
172.10481	6.5
173.04384	5.5
177.12706	6.9
183.13831	20.0
199.74452	5.1
211.13354	68.0
233.96339	4.8
265.21649	21.8
309.24316	13.8
353.23343	100.0
354.23724	10.0
377.23096	11.4
517.00403	6.4
601.31769	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85399	1.7
59.01249	3.0
60.99181	12.0
61.98708	3.0
78.95795	2.0
82.81689	1.7
87.00745	3.8
88.00276	13.8
88.98682	81.2
89.02321	100.0
92.24979	1.8
112.37277	1.6
232.12639	2.4
330.36554	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50793	4.3
59.01250	65.6
61.98711	17.4
71.01251	18.2
71.52801	8.0
80.02426	4.2
83.01276	5.6
83.04917	6.1
85.02801	7.1
85.13060	4.0
89.02312	12.6
97.06493	5.3
101.02319	14.1
109.02837	5.2
123.04464	7.1
125.02285	5.9
125.09625	13.1
140.21509	5.8
142.30455	4.2
161.04485	7.0
163.11180	11.0
171.10193	100.0
172.10670	5.1
183.13818	5.8
185.11768	8.5
191.14424	10.2
195.13821	11.8
209.11751	21.1
211.13354	8.0
213.14960	43.9
225.11255	6.0
231.02846	4.8
245.19093	13.0
245.75046	4.6
246.19377	6.4
253.09276	48.2
263.20279	4.9
289.18134	97.2
290.18521	12.7
307.19086	95.7
308.19482	8.6
364.16647	5.1
397.16391	4.7
402.05716	4.9
481.44525	4.9
603.32196	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.6
60.09273	0.9
60.99184	5.4
69.03830	0.7
80.63374	0.7
87.00732	5.4
88.00283	10.1
88.98683	33.7
89.02318	100.0
89.47144	0.7
90.02656	2.1
98.19788	2.3
117.61350	0.7
122.62379	0.8
128.98354	0.7
146.67984	0.7
156.21312	0.8
201.55655	0.8
223.08176	0.8
229.84155	0.9
277.21762	0.9
388.25714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	15.5
59.01255	40.9
60.01561	1.4
61.98711	8.1
66.99753	1.8
69.03310	3.9
71.01260	15.9
71.04887	4.5
71.53123	1.5
72.99178	1.4
73.02819	6.8
82.85138	1.6
83.01254	2.3
85.02822	7.5
89.02325	5.1
95.01252	1.9
96.95853	2.0
97.06463	4.5
99.00741	2.9
101.02302	6.8
109.02805	3.0
113.02328	7.2
119.03350	1.8
125.02335	4.3
125.09590	2.8
127.11170	5.7
135.04410	1.6
137.02348	2.4
137.09618	1.8
139.11218	3.1
141.12770	3.4
151.07445	2.2
153.12692	4.8
155.10649	3.0
161.04462	2.9
169.12257	6.0
171.10135	3.7
171.13857	7.6
181.69310	1.7
183.13792	10.7
209.11781	2.4
227.12776	1.6
229.54475	1.4
235.20627	1.7
237.18520	2.7
250.54707	1.6
253.21712	5.5
267.23251	5.0
285.08551	1.9
300.02811	1.5
311.22946	1.4
311.25998	12.0
312.26016	2.0
355.24887	100.0
356.25168	9.3
379.25089	7.6
407.64383	1.4
481.07419	1.4
517.30035	1.7
559.31409	7.7
560.32629	2.6
603.26294	3.4
603.34833	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.1
59.01255	61.6
61.98704	5.9
63.42751	3.0
65.26157	2.4
70.73128	6.5
71.01260	14.8
71.53222	2.5
72.99185	3.0
73.02830	3.5
75.00759	5.6
75.95678	2.5
80.90101	2.2
81.03331	3.8
83.01276	4.5
83.04881	3.0
85.02824	3.9
89.02313	10.3
97.02862	2.9
97.06467	3.2
101.02332	16.0
109.02863	3.1
113.02305	5.9
119.03383	4.3
123.04381	4.7
125.02357	3.7
125.09640	6.2
137.09610	5.1
161.04480	5.6
163.11200	9.3
165.12814	4.0
171.10249	19.9
172.10582	3.0
184.15503	2.5
185.11766	10.4
191.14310	9.5
207.10214	5.3
209.11806	32.5
211.13274	4.2
212.14020	3.1
213.14914	4.3
228.62357	2.8
237.11122	3.3
245.19034	15.8
253.09254	39.1
263.20206	4.6
271.17017	3.5
289.18088	100.0
290.18503	8.2
307.19125	99.6
308.19461	10.1
330.38791	2.4
355.24899	7.2
536.07147	2.8
603.24945	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12521	2.2
53.24282	2.4
57.03323	8.4
59.01254	54.9
59.41520	2.2
59.84518	2.5
60.72330	2.5
61.98706	8.7
71.01251	17.6
71.53410	3.0
73.02823	5.9
83.01250	3.9
85.02828	6.6
87.04388	2.5
89.02345	7.0
96.95889	52.6
97.06482	6.7
99.08054	3.3
101.02322	11.6
113.02337	6.2
113.09615	2.9
114.93294	3.9
123.07961	3.0
125.02342	5.1
137.02356	3.7
141.01591	3.1
157.12367	3.4
167.14281	4.6
171.10143	3.9
181.52434	2.4
183.13776	3.4
212.20889	3.2
220.60684	2.8
239.87085	2.8
253.21739	5.8
257.11829	5.8
267.23254	9.3
277.21573	2.5
293.24677	3.8
311.25937	11.7
355.24875	100.0
356.25266	10.5
379.25116	6.3
603.33521	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.6
59.01247	100.0
60.01603	3.6
61.98699	16.2
69.03327	27.8
69.04851	3.9
71.01255	37.7
71.04897	5.2
71.08546	7.0
71.08881	6.1
72.99171	7.2
73.02809	8.8
83.04868	4.9
85.02821	19.2
87.04414	14.5
89.02299	12.0
96.95883	6.7
99.00767	8.0
100.50958	3.9
101.02329	17.6
102.02596	4.6
112.95329	4.5
113.02339	15.9
123.04403	6.4
125.02315	7.8
125.09637	4.9
135.04434	4.5
137.02293	6.6
139.11134	6.3
141.12691	6.2
155.10672	5.9
161.02356	7.7
167.03358	4.8
185.00729	20.9
233.19078	6.2
265.21695	9.0
271.02615	5.8
277.21808	5.9
299.02008	14.1
355.24890	94.0
356.25275	6.4
379.25146	5.6
559.32104	7.8
603.33337	13.8
604.32886	6.9
631.94788	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	11.1
57.61528	2.9
59.01250	49.0
61.98697	10.4
70.16470	2.8
71.01259	16.1
72.99194	4.2
73.02806	7.5
85.02827	3.9
86.95232	3.3
89.02310	4.1
95.01247	4.6
96.95910	3.6
97.06467	3.4
98.19753	7.5
98.95495	3.0
99.00760	3.6
99.92469	15.1
101.02302	10.1
113.02309	6.3
115.91941	17.4
116.92740	68.0
117.92733	5.3
123.04372	7.4
125.02338	4.2
125.09620	7.1
127.11153	8.7
137.02307	2.7
137.09662	3.6
139.11159	3.0
141.12737	5.5
155.10698	5.6
159.64540	2.8
160.03467	2.6
169.12210	5.3
171.10289	4.1
171.13808	6.4
183.13762	6.3
185.15370	10.6
199.16982	9.0
229.17975	10.8
229.70557	3.4
267.23151	5.5
311.25854	25.2
329.12097	3.0
337.23874	3.1
355.24866	100.0
356.25180	11.7
376.28937	3.5
379.24887	10.7
426.88113	3.3
559.30750	3.2
603.25281	3.4
603.34595	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	604.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03345	0.5
58.00465	1.2
59.01251	20.2
69.58853	2.4
70.02847	1.3
71.01256	15.5
72.99180	1.5
73.02808	1.0
83.01257	1.2
83.04906	4.6
85.02819	3.5
87.00756	0.7
89.02319	10.5
92.50893	0.5
95.01258	1.3
98.02368	0.7
99.48182	0.4
101.02323	8.0
108.08051	1.1
109.06461	1.5
113.02338	4.3
119.03396	4.2
126.09122	2.6
128.82663	0.4
131.72543	0.4
136.07555	0.6
143.03395	0.5
150.97478	0.4
154.08568	0.5
161.04489	0.5
176.68115	0.4
190.98476	0.4
223.20547	0.5
225.22202	7.4
226.22549	1.0
253.21713	1.4
270.24365	1.9
271.22672	0.8
289.08115	0.4
296.25885	0.8
312.25323	0.8
350.30545	1.0
362.31036	0.5
377.16840	0.4
380.31595	2.4
393.94186	0.4
398.32706	1.2
399.32837	0.4
424.30707	0.6
560.38251	0.9
563.43073	0.5
604.37042	100.0
605.37396	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
57.03318	0.6
58.00459	0.3
59.01251	23.9
61.98699	0.3
65.43692	0.1
69.03338	0.3
69.82578	0.8
71.00856	0.2
71.01254	3.8
71.04898	0.3
72.99169	0.6
73.02823	1.6
75.00745	0.2
80.52003	0.2
83.01260	0.8
85.02831	2.3
87.00730	0.8
87.04382	0.2
88.54839	0.1
89.02321	1.9
94.49027	0.1
95.01282	0.3
96.95898	0.2
97.02834	0.4
99.00746	0.3
99.04404	0.2
101.02323	3.0
102.56531	0.1
103.03884	1.7
109.02848	0.3
113.02338	1.6
113.09616	0.2
115.03918	0.3
119.03393	0.8
121.50300	0.1
122.03642	0.1
123.04438	0.1
125.02325	0.9
127.03854	0.2
131.03415	0.3
133.02887	0.3
134.92685	0.1
137.02425	0.2
143.03403	1.0
145.04977	0.4
151.00316	0.5
159.02957	0.2
159.10136	0.3
161.02344	0.3
161.04469	0.5
163.06033	0.9
173.04477	0.2
177.01872	0.7
178.99742	0.2
179.03371	0.2
193.01440	0.1
197.06013	7.9
198.06395	0.5
202.20555	0.1
205.01390	0.3
205.07063	1.1
209.11742	0.2
225.05528	42.0
226.05861	3.3
232.00108	0.2
233.00879	2.3
234.01378	0.2
240.07892	58.0
241.08235	4.7
255.10251	100.0
256.10593	10.0
273.11407	0.2
289.07242	0.3
299.01923	0.2
357.26465	1.2
395.06195	1.5
396.06525	0.2
406.17969	0.2
411.07089	1.0
417.15533	0.6
501.30399	0.6
519.31720	0.3
561.31439	0.2
563.21326	12.5
564.21704	2.4
573.12451	1.1
574.12567	0.3
605.22083	1.4
605.35352	0.4
606.22388	0.2
606.35822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15269	0.3
54.99279	0.3
55.88627	0.3
61.91022	0.3
71.52306	0.3
92.19453	0.3
106.06495	0.4
144.04759	0.3
207.12518	0.3
285.40314	0.3
394.11572	0.3
415.15689	0.8
416.16272	0.9
428.16656	0.4
429.17096	0.9
430.18127	1.3
431.18997	0.4
442.17990	0.5
443.19247	0.6
444.19690	0.6
455.18448	0.4
456.15659	0.5
457.20734	2.0
458.21109	0.5
459.17834	3.3
460.18423	0.5
461.23456	0.5
469.20428	0.4
470.21564	0.7
471.18256	1.9
472.18774	0.9
473.19687	4.8
474.20206	1.2
475.21463	0.7
484.22525	0.4
485.19629	1.9
485.23962	1.2
486.20831	4.3
487.20969	1.3
488.21286	0.4
496.19205	0.8
497.19830	0.4
499.17340	1.9
500.17749	0.6
501.23911	3.2
502.20438	0.9
503.21121	0.6
511.21515	2.4
512.21246	0.5
513.19379	2.8
514.20026	8.3
515.20709	1.8
517.18909	0.6
518.19556	1.6
528.21387	0.7
529.22437	100.0
530.22766	17.9
532.20923	1.8
533.21661	2.3
561.25360	1.0
562.25043	0.4
571.51575	0.4
573.21405	1.1
605.24048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88036	2.0
69.88421	1.6
72.90690	0.7
90.69508	0.7
118.63505	0.7
174.55318	0.7
176.83295	0.7
297.30734	0.7
365.40732	0.7
430.18112	1.9
457.20685	1.2
459.18411	3.1
461.23334	1.0
470.21466	1.0
471.18472	2.0
472.18414	0.8
473.19489	5.0
474.20181	0.9
485.19736	2.5
486.21024	4.3
487.21521	1.4
496.19553	1.1
499.17896	2.6
501.22452	2.8
511.21487	2.5
513.19318	3.0
514.20007	9.5
515.20062	1.3
518.19623	1.6
529.22449	100.0
530.22809	20.7
532.21167	2.0
533.21753	2.1
573.21552	1.6
582.45251	0.7
605.24048	1.1
614.82581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97288	4.0
56.60231	3.9
59.01244	7.1
66.16624	4.0
68.39746	4.0
69.29755	36.6
71.01276	5.1
73.02821	12.3
80.91103	4.3
92.17164	4.5
96.54189	4.2
98.20500	9.3
107.01253	4.0
109.02850	19.1
109.74300	4.6
112.46239	4.3
121.02779	5.5
123.00797	4.9
137.02351	15.0
147.00751	10.7
148.01578	25.2
149.02356	11.3
151.00270	11.3
158.02382	6.3
161.02394	4.0
162.01891	16.5
163.00233	10.5
164.03410	10.2
164.09387	3.8
175.00264	7.4
176.00865	5.8
177.01854	68.3
178.99838	5.5
186.01938	17.2
190.01233	9.8
191.02156	15.5
202.01463	4.4
202.99806	19.9
203.01860	6.0
204.02962	73.8
214.01212	6.5
219.86293	4.1
227.03603	4.7
230.00970	38.6
255.02939	7.6
271.02493	13.1
272.02975	4.8
273.03833	5.4
285.03830	5.5
286.03717	7.7
294.04175	4.7
296.05627	5.5
299.01968	9.7
300.02615	5.8
313.03540	10.7
314.03940	4.8
317.02927	7.1
322.03537	11.9
339.03705	14.5
340.01019	5.5
340.04587	44.3
342.02640	5.4
353.08743	7.0
357.04922	39.0
358.05554	16.6
397.07693	11.1
408.08835	5.0
426.04938	6.3
426.10522	90.1
427.10724	7.6
452.08316	85.3
453.09055	10.4
495.11404	5.1
520.10822	9.8
521.09021	8.5
544.10986	20.3
562.12024	100.0
563.12128	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	606.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99173	16.1
61.98693	1.7
70.83044	0.8
71.52538	1.7
74.06245	0.8
74.68068	0.8
76.89919	0.8
78.95780	16.2
87.00733	2.1
88.00265	2.6
88.98677	100.0
89.02316	12.5
89.99047	0.8
91.09624	0.9
94.37105	0.8
96.96840	3.8
111.64290	0.9
134.04597	1.8
139.89854	1.0
152.99487	1.5
270.01669	1.1
277.21664	3.3
291.19547	2.4
327.64746	0.8
346.05603	9.9
347.05646	1.2
502.29187	0.9
539.71783	1.0
606.37854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43679	0.7
53.67305	0.7
54.62671	0.8
57.03324	5.2
59.01254	18.4
61.98698	0.8
63.02251	0.8
65.00190	1.9
69.03332	2.0
69.18726	0.9
69.21895	7.0
71.01256	9.8
72.99165	1.4
73.02805	3.8
83.01237	3.0
85.02813	4.1
87.00741	2.5
88.77097	0.7
89.02322	5.1
93.03297	0.8
93.45336	0.9
96.95884	2.2
97.02802	1.2
99.00745	1.8
99.04367	1.9
101.02327	6.4
107.01270	3.2
108.02061	1.1
109.02869	1.8
111.00739	1.1
113.02325	3.3
119.03351	1.5
121.02814	2.1
122.02374	1.5
123.04466	0.8
124.69798	0.8
125.02335	3.0
134.03586	1.0
135.04385	1.6
137.09579	0.9
143.03389	1.0
149.04384	1.4
149.05907	1.0
151.00281	13.8
151.03836	1.4
155.10719	6.3
161.02339	1.8
161.04417	2.3
163.00241	3.3
163.03882	1.2
165.09154	1.0
173.04524	1.0
178.99770	7.0
179.03415	0.9
185.00757	1.1
191.05458	2.4
199.03923	1.1
199.09700	3.9
201.01933	0.9
211.03949	1.3
227.03462	3.5
229.05016	0.9
241.01335	3.0
241.08679	1.4
242.02151	1.0
243.02933	9.3
244.03494	0.9
254.02185	2.1
255.02963	26.2
256.03265	2.0
270.01587	1.9
271.02475	53.1
272.02884	5.9
273.04080	1.1
283.02472	1.4
299.02014	6.1
300.02744	100.0
301.03452	46.8
301.06381	0.8
302.03815	3.0
315.01669	1.5
315.05017	9.2
316.05441	0.9
317.12555	1.2
317.15985	5.0
359.24286	1.5
403.23380	1.8
445.07642	4.0
463.08826	57.7
464.09088	7.5
503.28641	13.7
505.09885	44.9
506.10056	5.7
521.29749	5.3
522.30017	0.9
545.12677	7.4
546.13165	1.3
607.12927	10.5
607.31091	0.9
608.13342	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.5
57.03315	5.5
57.46494	2.2
59.01252	100.0
69.26064	22.8
71.01254	28.4
72.99163	3.1
73.02811	11.2
82.95996	2.5
83.01252	3.8
85.02827	17.4
87.00746	2.6
89.02317	8.1
95.01271	6.1
99.00732	3.9
101.02319	12.5
109.02830	4.1
111.00736	2.4
113.02327	18.6
119.03370	3.0
125.02385	2.8
137.02367	11.7
138.03166	3.4
153.18401	2.4
225.55385	2.4
275.40323	2.5
341.26898	3.0
359.27982	11.0
368.34781	2.7
401.28851	3.3
403.17499	19.3
411.55927	2.6
503.32275	73.1
504.32516	15.4
521.33295	25.9
522.33167	4.3
563.34283	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.9
58.19853	1.8
59.01253	100.0
60.01590	2.2
61.98707	4.1
64.75616	1.9
66.74292	1.9
69.03345	2.1
71.00896	2.8
71.01260	30.8
71.01669	5.6
72.99162	2.2
73.02824	11.3
75.00738	5.6
78.30179	1.8
83.01261	6.2
85.02837	15.7
89.02309	12.4
94.46406	1.9
95.01257	2.1
97.02809	3.4
99.00748	3.2
101.02329	22.7
113.02338	24.6
119.03431	4.7
121.02829	2.8
121.10115	2.1
125.02336	7.2
149.02353	24.3
159.06371	1.7
161.04445	6.2
164.04716	38.3
165.05115	2.6
179.05522	4.7
179.07057	57.1
180.07425	3.0
182.39548	2.5
205.08679	17.5
209.18434	2.0
271.02609	2.9
281.09225	4.7
283.10849	8.5
309.08826	3.9
359.27969	10.9
403.17892	9.0
473.30914	2.8
503.32266	80.8
504.32733	14.1
521.33441	25.1
522.33679	3.9
531.16449	3.2
563.33167	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21699	3.4
57.03312	6.2
59.00953	5.3
59.01254	100.0
61.98707	41.9
69.03341	2.5
71.01258	42.9
73.02810	15.7
81.54313	2.9
83.01268	5.1
85.02838	16.9
85.82545	2.8
87.00738	6.6
87.04372	3.8
89.02325	12.2
97.02807	3.3
98.20661	6.3
99.00735	3.4
101.02325	17.8
113.02327	15.5
119.03366	4.6
125.02335	9.4
135.72365	3.1
136.82246	2.7
137.02284	3.0
143.03389	4.6
145.60284	2.9
149.39070	2.7
159.02942	2.7
161.04439	4.7
184.44188	2.8
212.91293	2.9
223.20549	4.4
269.21127	4.8
270.01559	3.5
271.02274	4.4
299.01956	3.0
300.02740	5.2
338.43512	3.1
341.26990	6.4
359.27969	38.8
425.66983	3.4
473.30450	3.3
503.32278	61.5
504.32550	11.3
521.33392	24.9
563.34430	23.2
564.34283	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	608.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
59.01247	1.7
61.98703	100.0
62.79414	0.2
69.19258	0.5
69.19676	1.9
71.01275	0.8
73.02821	0.3
78.95780	0.4
80.96385	0.4
85.02849	0.5
87.00768	0.2
101.02345	0.4
108.02062	0.4
113.02383	0.3
116.68066	0.2
119.03435	0.2
125.02357	1.4
137.02386	0.7
143.56018	0.2
151.00270	0.5
151.03873	0.5
152.99518	0.4
161.02267	0.2
165.01875	0.4
167.03453	0.3
178.99823	0.4
191.10959	0.2
198.65656	0.2
211.13298	0.4
218.70518	0.2
236.35788	0.2
243.03001	0.9
255.02972	2.2
271.02496	5.0
289.07303	0.5
299.02075	0.5
300.02747	8.1
301.03458	1.2
409.83743	0.2
493.25485	0.2
522.24371	0.2
599.54974	0.2
608.24823	0.8
609.14624	6.7
609.24078	0.2
609.36108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32411	1.2
53.64275	1.1
55.01758	2.9
56.08686	1.2
57.03323	5.9
59.01252	100.0
60.01569	1.3
61.98708	2.7
66.03364	2.7
68.01297	2.7
69.03318	3.5
70.02844	7.1
71.01253	30.6
71.11073	1.9
71.11407	1.4
72.00776	3.0
72.99165	2.0
73.02821	10.5
74.02351	1.8
78.03384	1.2
82.02863	4.1
83.01258	7.6
84.04421	7.7
85.02819	22.3
86.02359	3.5
86.03135	1.4
87.00751	4.5
89.02322	7.1
94.02860	30.5
94.92166	1.3
95.01271	3.3
96.04427	12.8
97.01588	3.3
97.02847	4.6
98.02399	2.2
99.00738	3.6
100.03934	2.3
101.02318	18.0
102.01850	3.3
105.53477	1.3
106.02856	1.6
107.01259	1.6
108.02071	3.5
109.01566	4.1
109.02863	1.8
110.02377	3.5
111.00779	1.6
112.03931	29.8
113.02325	11.2
113.41281	1.2
119.03424	2.3
121.05202	1.2
121.39345	1.4
122.02358	3.1
123.03125	1.2
124.03931	74.5
125.02361	3.9
129.13812	1.2
131.03416	1.3
142.04971	7.8
143.03468	1.2
151.00298	5.6
159.02942	3.4
159.04288	1.3
160.06035	1.3
161.04483	4.6
163.00276	1.4
167.03522	1.4
173.04442	1.5
178.99763	2.9
191.05518	2.5
199.03908	1.6
211.13368	2.9
226.02689	1.2
227.03444	1.8
243.03006	8.6
243.06651	5.6
255.02988	16.9
271.02478	38.3
272.03232	1.8
273.11484	1.9
283.02893	1.4
296.22198	3.3
299.01926	5.9
300.02744	58.5
301.03445	13.9
306.20648	2.6
343.21149	3.5
350.45618	1.5
361.22308	22.7
361.29477	2.7
362.22702	1.8
397.13388	2.4
400.11740	1.2
403.17862	1.7
403.23071	1.8
404.17929	3.9
405.18530	1.7
417.24954	3.5
430.24713	1.4
438.24890	2.6
440.26538	1.6
450.24908	3.4
456.25958	8.0
458.27551	11.7
463.08817	3.6
463.25278	1.3
468.25980	8.4
474.27002	7.8
486.27097	9.3
504.26907	6.0
505.33856	22.4
510.27087	1.9
522.29291	4.2
523.34906	7.5
536.34430	1.4
564.30170	3.1
565.36328	2.3
608.16040	2.2
609.14478	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32411	1.2
53.64275	1.1
55.01758	2.9
56.08686	1.2
57.03323	5.9
59.01252	100.0
60.01569	1.3
61.98708	2.7
66.03364	2.7
68.01297	2.7
69.03318	3.5
70.02844	7.1
71.01253	30.6
71.11073	1.9
71.11407	1.4
72.00776	3.0
72.99165	2.0
73.02821	10.5
74.02351	1.8
78.03384	1.2
82.02863	4.1
83.01258	7.6
84.04421	7.7
85.02819	22.3
86.02359	3.5
86.03135	1.4
87.00751	4.5
89.02322	7.1
94.02860	30.5
94.92166	1.3
95.01271	3.3
96.04427	12.8
97.01588	3.3
97.02847	4.6
98.02399	2.2
99.00738	3.6
100.03934	2.3
101.02318	18.0
102.01850	3.3
105.53477	1.3
106.02856	1.6
107.01259	1.6
108.02071	3.5
109.01566	4.1
109.02863	1.8
110.02377	3.5
111.00779	1.6
112.03931	29.8
113.02325	11.2
113.41281	1.2
119.03424	2.3
121.05202	1.2
121.39345	1.4
122.02358	3.1
123.03125	1.2
124.03931	74.5
125.02361	3.9
129.13812	1.2
131.03416	1.3
142.04971	7.8
143.03468	1.2
151.00298	5.6
159.02942	3.4
159.04288	1.3
160.06035	1.3
161.04483	4.6
163.00276	1.4
167.03522	1.4
173.04442	1.5
178.99763	2.9
191.05518	2.5
199.03908	1.6
211.13368	2.9
226.02689	1.2
227.03444	1.8
243.03006	8.6
243.06651	5.6
255.02988	16.9
271.02478	38.3
272.03232	1.8
273.11484	1.9
283.02893	1.4
296.22198	3.3
299.01926	5.9
300.02744	58.5
301.03445	13.9
306.20648	2.6
343.21149	3.5
350.45618	1.5
361.22308	22.7
361.29477	2.7
362.22702	1.8
397.13388	2.4
400.11740	1.2
403.17862	1.7
403.23071	1.8
404.17929	3.9
405.18530	1.7
417.24954	3.5
430.24713	1.4
438.24890	2.6
440.26538	1.6
450.24908	3.4
456.25958	8.0
458.27551	11.7
463.08817	3.6
463.25278	1.3
468.25980	8.4
474.27002	7.8
486.27097	9.3
504.26907	6.0
505.33856	22.4
510.27087	1.9
522.29291	4.2
523.34906	7.5
536.34430	1.4
564.30170	3.1
565.36328	2.3
608.16040	2.2
609.14478	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	14.9
65.83105	10.2
69.52068	29.5
69.52479	32.8
83.01290	9.4
84.16502	9.9
93.03377	9.4
97.02821	11.9
97.83396	8.4
98.19897	16.6
98.82443	10.9
103.91412	8.4
109.02843	33.0
111.00772	29.4
123.00787	12.9
123.04426	24.1
125.02322	85.8
137.02359	63.8
139.00285	25.6
139.03937	9.3
139.94446	9.6
149.02292	17.2
151.04047	10.0
153.01836	16.8
161.02365	29.0
162.03064	8.9
163.03867	16.1
164.00986	9.5
165.01837	35.0
167.03394	9.8
175.03944	17.8
177.01866	100.0
187.03947	10.8
193.01328	31.2
243.03008	11.2
245.04395	9.3
255.03006	12.2
259.02585	9.9
284.50345	9.6
289.07092	25.4
303.04996	15.6
305.06619	18.6
306.69208	9.0
423.07217	27.6
441.08340	12.8
457.07965	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	609.1248
Annotation	quercetin 3-O-(4"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
57.03320	1.4
59.01254	27.1
61.98709	7.8
65.00203	1.6
69.03325	0.7
71.01257	8.8
71.53722	0.5
71.54095	0.6
72.99186	1.3
73.02822	2.4
83.01267	2.3
85.02829	4.5
87.00750	1.8
88.98698	1.1
89.02331	2.3
93.03291	0.8
95.01270	1.3
96.95876	1.1
97.02837	0.9
99.00751	0.8
101.02312	3.6
107.01286	3.2
108.02070	2.3
109.02847	2.6
113.02336	5.1
119.03358	1.3
121.02863	5.1
123.00814	0.6
123.04428	0.8
125.02345	2.3
135.00786	0.9
135.04396	1.3
137.02353	1.3
143.03458	0.9
145.02901	1.5
148.01599	1.4
149.02399	0.7
151.00272	10.1
151.03934	0.7
155.10716	0.6
159.04428	0.6
161.04468	1.2
163.00293	2.4
165.01823	1.0
169.01350	0.7
173.04459	2.0
177.01772	1.1
178.99799	5.7
183.04439	0.7
187.03983	1.6
190.99855	0.9
191.03751	0.6
191.05513	1.8
198.03270	0.8
199.03949	0.9
203.03326	0.7
211.03880	1.2
211.13213	1.3
216.04259	1.1
226.02640	2.4
227.03497	3.4
229.04944	1.0
243.02960	12.1
244.03433	1.6
245.04494	1.2
254.02179	2.4
255.02968	29.9
256.03336	2.3
257.04465	0.7
271.02475	62.9
272.02863	7.6
273.03836	0.8
273.11331	1.8
283.02441	1.3
285.03976	0.7
299.01929	2.4
300.02744	100.0
301.03439	35.6
301.08521	0.8
302.04010	2.9
361.25778	1.7
361.29611	1.6
390.13486	1.0
397.13702	0.7
405.15573	1.0
429.10913	1.1
447.16116	0.7
463.08826	36.2
464.09222	4.8
504.32184	1.4
505.33755	12.2
506.34061	0.8
522.33630	1.0
523.34644	2.9
609.13379	54.2
610.13654	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70764	0.7
63.42027	0.9
65.00178	1.6
69.38100	3.1
69.38524	3.0
98.19828	2.0
107.01237	3.1
108.02031	2.5
121.02868	1.0
123.65993	0.8
135.00763	1.0
148.01541	3.6
151.00276	5.1
163.00311	1.0
164.01076	0.9
178.99750	2.9
181.65657	0.8
189.45457	0.8
192.00598	1.2
199.03870	2.0
211.03943	1.5
215.03328	1.1
216.04225	1.2
226.02635	2.0
227.03452	4.7
228.03867	1.6
243.02963	20.1
244.03482	1.5
254.02115	3.8
255.02969	42.6
256.03354	3.3
271.02478	94.9
272.02795	9.2
293.62384	1.0
299.01953	5.1
300.02737	100.0
301.03198	13.4
609.14587	90.4
610.14838	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00243	0.8
68.36569	0.9
69.38768	7.9
78.33849	0.8
83.01234	0.9
98.19718	1.8
103.06261	1.0
107.01250	2.4
109.02825	2.4
121.02798	1.7
135.00792	1.3
151.00261	13.6
153.20087	1.0
163.00237	2.9
174.92305	0.9
178.99809	5.0
185.14285	0.9
199.04036	1.7
202.42792	1.0
211.03897	1.8
226.02664	1.6
227.03444	3.4
243.02937	11.7
254.02142	1.8
255.02972	28.8
256.03317	2.0
271.02472	60.0
272.02991	5.2
273.04041	1.4
283.02341	1.8
299.02164	1.8
300.02747	84.2
301.03476	39.9
302.03735	2.8
332.64874	1.1
343.04028	1.0
437.11563	1.0
609.14569	100.0
610.14856	16.1
611.27686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.2
61.19806	0.6
61.98703	1.1
62.07827	0.7
63.02254	0.6
65.00195	1.2
68.16054	0.6
69.03329	0.6
69.54479	1.7
69.54907	2.6
71.01250	4.0
73.02821	1.9
83.01257	1.0
85.02812	0.9
87.00761	0.7
89.02299	1.2
92.68128	0.7
101.02319	2.8
107.01263	2.4
108.02077	1.2
109.02824	1.0
113.02332	1.1
114.88629	0.7
121.02914	1.4
125.02338	1.0
137.09612	3.0
151.00304	8.0
155.10693	16.9
156.11000	1.2
159.04338	0.7
163.00267	1.7
173.04448	0.8
178.99806	5.1
181.08539	0.9
187.03922	1.1
191.05484	1.0
199.09700	13.7
199.11394	1.3
200.10007	0.9
201.05455	0.9
211.03925	1.1
215.03378	0.9
216.04263	0.6
226.02643	1.7
227.03395	3.6
242.02225	0.9
243.02956	10.7
244.03375	1.1
245.04353	0.9
254.02113	2.3
255.00299	1.2
255.02977	25.9
256.03250	2.6
271.02481	60.5
272.03043	7.1
273.04059	0.9
283.02472	1.2
284.03235	0.8
285.03976	1.4
286.04449	0.8
299.01932	4.4
300.02740	100.0
301.03403	30.5
302.03848	2.7
314.04266	4.5
315.05090	1.3
368.52213	0.7
369.09488	1.0
403.16034	2.8
442.28885	0.8
463.08676	0.9
465.67279	0.7
516.15417	0.7
535.10797	0.7
609.14587	94.8
610.14923	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65381	0.4
57.03315	0.7
59.01249	7.5
61.98699	2.5
63.02270	3.4
65.00188	6.9
69.03317	0.7
70.77367	0.6
70.77681	0.5
71.01260	3.5
72.99197	0.5
73.02811	1.0
83.01253	5.2
85.02805	0.9
87.00748	0.5
88.98651	0.5
89.02319	1.4
93.03335	2.5
96.95870	0.7
97.02811	0.6
97.21503	0.6
99.84093	0.4
101.02306	1.4
107.01270	15.9
108.01579	0.5
108.99174	0.5
109.02848	1.6
113.02320	1.8
119.03424	0.6
121.02843	10.5
122.02376	0.8
123.00825	0.4
123.08195	0.4
124.01609	0.6
125.02335	2.0
135.04402	1.1
137.02304	0.6
139.03856	0.6
145.02879	1.0
148.01570	0.9
149.02316	1.2
151.00272	54.8
151.03874	1.2
152.00575	2.0
153.01903	0.4
155.10689	3.0
156.10976	0.7
158.62567	0.4
159.04372	0.6
161.02328	1.0
161.04387	0.5
163.00291	2.2
163.03825	1.0
164.01039	1.2
165.01796	1.0
169.01346	3.6
173.04466	0.9
175.03899	0.8
178.99780	25.7
180.00159	1.1
183.04402	0.7
187.03961	0.5
189.01743	0.4
191.05592	1.0
193.01372	1.6
199.03886	0.8
199.09685	2.0
200.10040	0.5
203.03444	0.4
211.03819	0.7
215.03464	0.8
227.03377	2.1
229.05003	1.2
243.02968	4.7
244.03316	0.5
245.04514	1.1
254.02205	0.8
255.02980	9.1
256.03317	1.0
257.04498	1.0
259.80719	0.5
271.02460	21.6
272.02841	2.6
273.03873	2.9
285.04099	0.8
299.02103	1.5
300.02734	33.3
301.03506	100.0
302.03891	7.8
317.16025	0.8
318.16284	1.4
405.19269	2.1
405.24203	0.5
447.07114	0.8
463.09158	0.5
505.33652	1.3
520.48090	0.4
609.14551	68.8
610.14838	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	609.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
59.01254	7.9
61.98680	1.3
65.00191	1.2
69.03267	1.1
71.01248	7.5
72.99157	1.0
73.02813	4.0
73.32274	0.9
81.03323	1.1
83.01236	1.2
85.02821	2.6
87.00745	1.0
87.04408	1.3
88.98707	1.1
89.02322	2.8
93.03315	1.0
95.01298	1.3
101.02312	5.0
107.01267	1.6
108.02065	2.6
109.02839	1.5
110.07838	0.9
113.02326	3.8
115.00252	1.2
121.02869	1.0
123.04408	1.2
125.02329	4.9
132.01984	0.9
134.37117	0.9
135.00787	1.2
137.02376	1.2
137.09621	9.3
148.01563	1.5
149.02341	1.3
151.00269	4.7
151.11208	1.1
152.00995	1.1
155.10686	51.2
156.11008	3.5
161.02382	1.4
161.04478	1.3
163.00075	1.0
173.04454	1.3
177.01860	1.3
178.99808	2.4
181.08626	2.4
190.10828	0.9
191.05353	1.3
199.03809	1.2
199.09695	54.0
200.10062	2.8
205.17276	1.1
215.03488	1.2
221.40385	0.9
226.30768	0.9
227.03462	2.7
241.10825	5.0
242.02155	1.1
243.03000	10.3
244.03603	1.9
253.10847	1.6
254.01982	1.0
255.02977	22.8
256.03445	2.1
271.02466	53.4
271.11783	1.8
272.02936	5.3
281.04709	1.1
299.02032	1.9
300.02747	100.0
301.03250	15.3
309.70389	1.0
361.14828	2.7
403.16037	5.2
459.79105	1.2
543.56573	1.0
609.14612	54.8
610.14819	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	609.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.5
59.01254	7.9
61.98680	1.3
65.00191	1.2
69.03267	1.1
71.01248	7.5
72.99157	1.0
73.02813	4.0
73.32274	0.9
81.03323	1.1
83.01236	1.2
85.02821	2.6
87.00745	1.0
87.04408	1.3
88.98707	1.1
89.02322	2.8
93.03315	1.0
95.01298	1.3
101.02312	5.0
107.01267	1.6
108.02065	2.6
109.02839	1.5
110.07838	0.9
113.02326	3.8
115.00252	1.2
121.02869	1.0
123.04408	1.2
125.02329	4.9
132.01984	0.9
134.37117	0.9
135.00787	1.2
137.02376	1.2
137.09621	9.3
148.01563	1.5
149.02341	1.3
151.00269	4.7
151.11208	1.1
152.00995	1.1
155.10686	51.2
156.11008	3.5
161.02382	1.4
161.04478	1.3
163.00075	1.0
173.04454	1.3
177.01860	1.3
178.99808	2.4
181.08626	2.4
190.10828	0.9
191.05353	1.3
199.03809	1.2
199.09695	54.0
200.10062	2.8
205.17276	1.1
215.03488	1.2
221.40385	0.9
226.30768	0.9
227.03462	2.7
241.10825	5.0
242.02155	1.1
243.03000	10.3
244.03603	1.9
253.10847	1.6
254.01982	1.0
255.02977	22.8
256.03445	2.1
271.02466	53.4
271.11783	1.8
272.02936	5.3
281.04709	1.1
299.02032	1.9
300.02747	100.0
301.03250	15.3
309.70389	1.0
361.14828	2.7
403.16037	5.2
459.79105	1.2
543.56573	1.0
609.14612	54.8
610.14819	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	609.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43434	0.1
57.03328	0.2
58.00488	0.1
58.82972	0.1
59.01253	4.3
61.98702	3.8
61.99008	0.2
65.00226	0.1
69.03349	0.1
69.23074	1.2
71.01259	1.7
72.99216	0.3
73.02824	0.6
81.03345	0.6
83.01274	0.3
85.02819	0.8
87.00769	0.1
89.02328	0.5
93.03321	0.7
95.01282	0.3
96.95886	0.1
97.02837	0.1
99.00778	0.2
101.02334	1.2
107.01340	0.1
107.04922	0.2
108.02058	0.8
109.02847	0.9
113.02344	0.8
119.03375	0.1
121.02852	1.3
122.03632	5.2
123.00757	0.2
123.03982	0.2
125.02372	0.7
131.03465	0.1
135.04472	0.2
136.01613	0.1
136.05177	0.2
137.02362	1.1
143.04932	0.2
146.03665	0.1
148.01584	0.2
148.05191	0.1
149.02400	0.3
151.00267	0.7
151.03914	0.9
153.01855	0.4
157.01579	0.1
158.07330	0.4
160.05215	0.2
161.02391	0.5
161.04457	0.7
163.00323	0.2
173.04434	0.3
178.99809	0.4
183.08107	0.3
184.08939	0.6
185.06056	0.2
186.06815	0.7
188.44391	0.1
191.05644	0.2
199.07591	0.2
199.11226	0.2
201.09148	2.0
202.09560	0.2
211.07729	0.1
213.05470	0.1
226.02757	0.2
227.03433	0.4
227.07097	14.5
228.07692	2.0
243.10243	100.0
244.10576	8.4
251.07089	0.2
254.02243	0.2
255.02980	2.1
255.10318	0.3
256.03311	0.2
257.08041	0.2
257.11786	0.4
258.09198	0.1
259.09705	1.1
260.10202	0.2
267.10300	2.0
271.02496	4.3
272.02792	0.5
283.09814	0.1
283.13309	0.1
285.07544	0.1
285.11438	0.6
295.09723	0.1
297.11310	0.2
299.02029	0.2
300.02740	7.3
301.03427	2.6
302.03967	0.1
309.11380	0.4
327.12320	0.3
339.12326	0.2
387.14493	8.5
388.14853	1.0
405.15527	2.3
406.15891	0.3
447.07285	0.2
447.16684	3.1
448.16925	0.3
463.16043	0.2
549.28986	0.2
609.14465	5.0
610.14911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.1
57.03320	2.7
58.00468	0.8
59.01251	82.9
60.01598	1.4
61.98706	4.7
67.01784	0.6
69.03328	4.2
70.92027	1.3
71.01254	33.6
72.01633	0.7
72.62833	0.5
72.99181	8.1
73.02819	8.2
75.00753	2.1
78.26444	0.5
81.03336	2.1
83.01249	4.7
85.02824	11.9
87.00761	2.0
88.98691	1.5
89.02317	16.2
93.03320	1.1
95.01266	2.9
95.04945	0.6
96.95901	0.7
97.02830	6.6
99.00752	6.1
99.04382	0.9
101.02324	18.5
104.40396	0.5
107.01291	1.4
108.02077	1.1
109.02840	1.8
111.00732	1.4
111.04372	1.2
113.02329	13.0
115.03896	1.5
119.03400	2.2
121.02813	1.0
123.04382	0.6
124.01540	0.5
125.02335	27.4
126.02682	0.9
127.03887	1.4
131.03391	6.0
135.00731	0.5
135.04405	1.3
135.08020	0.5
136.01582	1.8
137.02350	1.4
139.03894	1.0
143.03377	5.4
149.04445	2.2
151.00270	2.6
151.03903	3.9
153.01842	0.5
153.02936	0.7
155.10657	1.2
157.06451	0.9
161.04482	2.7
161.05684	0.5
162.04820	0.5
163.03984	0.6
164.01033	0.5
165.01851	0.6
165.05423	0.5
169.06551	0.7
171.08096	3.9
173.04463	1.5
173.05934	1.0
178.99733	1.5
179.05573	0.6
181.08607	0.5
183.04480	0.7
187.07649	0.9
191.05525	5.0
197.04227	0.5
197.06012	8.5
199.04086	0.6
199.07608	7.3
199.09525	0.7
200.04694	1.3
201.05511	3.7
203.05609	1.1
214.06302	2.6
215.05244	0.9
215.07076	10.1
215.16245	0.6
224.04732	1.9
225.05519	30.6
226.06000	2.3
227.03369	0.9
233.06616	6.4
242.05902	0.7
243.02673	2.1
243.06592	71.1
244.04900	0.7
244.06964	5.0
255.02939	6.9
256.03159	0.8
258.08951	89.2
259.06995	0.9
259.09363	7.5
271.02487	16.2
272.02841	1.7
273.11319	100.0
274.11652	9.0
275.07736	15.9
276.07922	1.0
285.07718	3.5
288.92230	0.5
293.08774	10.9
299.01669	0.7
300.02756	27.2
300.09955	5.1
301.03461	11.7
303.06250	0.5
315.12363	20.0
316.12872	2.3
330.17075	0.5
335.06244	0.6
335.09882	7.0
359.27612	0.7
360.28326	0.7
361.29419	3.8
387.14291	1.4
447.16669	6.9
448.16837	0.8
463.08359	0.5
475.29123	1.2
503.32214	0.8
504.32431	2.8
505.33691	23.0
506.34271	2.5
521.33459	0.6
522.33722	1.2
523.34735	6.2
524.34485	0.6
549.19739	14.9
550.20270	2.3
565.35193	1.5
567.20941	9.1
568.21454	1.2
609.14166	19.5
609.20831	1.5
609.30505	0.8
610.14722	4.3
610.23108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82282	0.7
57.03334	0.8
59.01253	4.6
61.98694	3.0
71.01245	2.8
71.51575	1.7
78.95775	58.8
80.96403	0.8
81.32099	1.1
83.01250	1.0
85.02858	0.9
87.00736	1.0
89.02280	0.8
93.03345	1.9
95.71022	0.8
96.96844	11.4
108.02079	1.0
113.02311	1.6
121.75703	1.0
125.02338	2.5
137.02359	1.0
151.00284	3.5
152.99490	69.8
153.99828	1.4
171.00560	2.0
173.04456	1.1
178.97015	0.8
178.99811	1.5
189.18207	0.8
190.99785	0.8
195.13853	9.5
196.14584	1.0
205.12361	1.5
211.13387	1.7
223.00101	6.9
223.13350	7.1
241.01137	24.3
242.01382	1.2
243.03064	4.0
254.02226	1.1
255.02956	12.2
259.02274	2.7
271.02472	23.9
272.02975	2.2
275.20056	3.4
293.21228	41.2
294.21533	4.2
300.02731	43.6
301.03293	12.6
309.88489	0.9
315.04901	11.2
373.23575	1.2
609.14734	34.1
609.26727	100.0
609.35980	7.4
610.14984	5.7
610.27100	19.5
610.36560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.8
57.03323	3.9
59.01252	98.4
61.98698	11.0
65.00198	2.5
69.03323	2.1
69.20997	2.3
69.21400	11.8
69.26186	1.3
71.01252	37.7
72.99159	1.8
73.02818	17.0
77.61334	1.4
79.95599	3.3
80.96385	12.9
83.01272	7.4
85.02814	11.3
87.00751	4.8
88.98696	2.6
89.02317	17.5
93.03336	1.9
94.97977	2.5
95.01234	3.0
96.95871	2.4
99.00771	2.4
101.02319	22.4
107.01281	2.3
109.02827	3.9
113.02318	20.3
115.32143	1.5
119.03387	5.6
121.02839	4.8
122.03664	1.7
123.04425	2.0
124.01600	1.8
125.02326	8.7
126.63407	1.4
135.04416	3.5
137.02333	7.4
143.03421	3.2
151.00273	6.2
161.04491	7.3
163.00182	1.5
164.98508	2.7
165.01758	4.1
178.99719	4.0
179.03517	1.4
179.05531	3.5
187.03896	1.5
209.11870	1.7
211.13274	1.5
225.00691	4.7
225.18639	2.8
227.03508	2.5
243.02975	11.8
255.02991	21.7
256.03421	3.3
258.08905	3.2
271.02481	58.7
271.22916	1.4
272.02826	7.7
273.11597	7.4
289.07172	3.8
299.01917	2.1
300.02753	100.0
301.03384	20.9
302.03802	1.9
361.29495	7.1
422.88928	1.6
474.04053	1.9
489.34354	13.8
490.34982	2.4
505.33875	27.3
506.33823	3.8
507.35004	3.7
523.34821	18.5
524.35168	2.4
549.32751	2.4
565.35797	5.7
609.14545	69.9
609.25690	26.1
609.35944	5.6
610.15436	17.7
610.25525	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	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09782	2.4
57.03314	5.6
59.01251	100.0
61.98689	8.0
69.46838	5.5
69.47238	13.3
71.01253	34.7
72.99194	2.6
73.02811	11.0
83.01257	6.0
85.02824	16.6
87.00741	5.4
87.04375	2.5
89.02331	10.6
95.01249	3.9
98.19743	2.4
99.00726	3.7
101.02325	19.4
103.16914	2.4
111.00741	2.6
113.02335	19.3
119.03329	3.6
125.02302	3.9
136.64319	2.3
142.85500	2.5
148.72598	2.2
151.00293	2.8
161.04489	6.3
164.01057	2.5
173.04506	3.4
178.99736	2.6
191.05638	2.5
243.03033	5.4
248.56483	2.5
255.03073	11.5
271.02438	20.7
300.02753	41.3
301.03375	12.5
343.28513	3.4
359.28101	3.0
361.29367	14.3
362.30212	3.5
505.33832	94.4
506.34097	16.8
523.34833	41.4
524.34814	3.9
541.15344	3.1
565.35840	10.8
609.14587	31.7
610.15137	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03320	3.1
59.01252	90.5
60.01611	2.5
61.31475	1.8
64.72283	2.6
71.01253	28.1
71.40786	2.1
72.99198	2.4
73.02830	7.0
75.00758	8.6
81.43707	1.6
83.01265	4.8
85.02819	18.0
87.00780	2.1
89.02324	7.8
90.89510	1.9
95.01301	5.1
97.02833	2.5
99.00773	3.2
101.02322	13.2
113.02335	19.7
119.03403	2.1
125.02297	3.2
137.02344	6.7
143.03445	1.8
169.12350	2.3
201.14891	2.5
244.07410	19.6
253.03143	1.9
255.02942	7.5
257.08109	3.1
259.09689	12.0
271.02509	9.5
300.02795	22.7
301.03406	4.9
316.70453	1.8
359.28033	3.2
361.29572	13.7
385.86078	2.0
463.16431	3.5
505.33829	100.0
506.34039	16.7
523.34869	24.3
524.35156	3.0
565.35974	7.5
609.14325	14.4
609.22809	2.4
610.14581	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	611.1621
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
57.03314	1.2
59.01254	4.8
61.98704	3.3
62.92969	0.8
65.00191	5.9
68.47798	0.9
71.01248	8.9
71.53204	1.2
72.99207	1.3
73.02821	1.3
75.00735	5.5
83.01275	3.9
85.02822	7.1
87.00755	2.5
87.04366	1.1
88.98669	1.2
89.02337	1.6
93.03358	1.1
95.01272	1.7
97.02815	1.3
99.00769	3.6
101.02353	1.0
103.12823	1.1
107.01277	11.4
109.02831	2.3
113.02324	6.7
125.02319	5.9
135.04414	49.4
136.04755	2.5
137.02330	1.4
137.09651	5.2
149.36302	0.9
151.00276	100.0
152.00604	4.1
155.10683	30.1
156.11061	2.2
161.02371	1.9
165.01816	1.4
166.95497	1.0
169.01428	1.2
170.25249	1.0
173.04485	3.5
175.00223	3.2
175.02475	1.5
177.01830	1.1
181.08597	1.9
191.05544	4.3
199.09683	8.8
241.85796	0.9
242.05779	1.0
243.06587	1.0
249.06122	5.8
273.13498	2.2
287.05624	80.2
288.05966	8.6
449.10791	53.8
449.16678	38.6
450.11118	7.7
450.17050	3.1
491.17667	3.7
503.17111	1.1
521.19037	6.3
611.22211	15.5
612.22754	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35059	0.6
54.80187	0.7
57.03300	1.4
59.01255	7.9
61.98683	0.9
67.01724	0.7
68.99667	0.9
71.01257	11.5
72.99167	4.3
73.02821	4.4
75.00748	12.3
76.97638	0.7
81.03327	0.8
83.01211	1.3
85.02370	0.8
85.02828	13.1
87.00765	4.9
87.04340	1.0
88.98649	0.8
89.02279	2.1
93.03321	1.4
95.01231	2.3
97.02822	1.1
99.00758	19.6
103.00210	1.0
104.18281	0.7
109.02785	1.2
111.00716	2.5
113.02328	10.4
115.00218	1.4
115.33057	0.6
117.01797	1.2
121.02837	0.8
125.02310	0.9
129.01782	1.3
135.04460	0.7
135.08025	1.2
137.02318	0.9
137.08572	0.8
137.09612	9.5
139.00275	1.2
146.66260	0.6
150.35971	0.6
153.01837	1.2
155.10686	74.0
156.11037	4.4
157.01344	3.4
158.79236	0.6
163.08417	0.6
175.02356	1.7
181.08617	2.0
191.05408	1.4
199.02353	0.8
199.09688	20.5
200.10010	1.6
213.11261	0.6
219.70135	0.6
241.10811	0.6
249.06163	11.3
267.07324	0.8
273.13437	8.0
318.69266	0.7
387.16516	1.5
431.09702	1.4
431.15582	29.1
432.16019	4.0
449.16638	100.0
450.16959	12.0
491.17587	4.8
492.18094	0.9
504.25208	0.7
521.18903	2.3
551.19897	1.9
571.22321	0.8
611.22040	31.9
612.22205	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	614.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71295	0.2
57.03318	0.3
59.01257	2.0
61.98703	100.0
63.56435	0.3
69.03333	0.3
71.01266	0.9
72.99221	0.3
73.02824	0.5
83.01257	0.4
83.11288	0.2
85.02844	0.2
85.80273	0.3
89.02309	0.5
101.02278	0.5
109.02904	0.4
113.02310	0.6
125.02323	0.6
135.04425	0.3
135.08055	0.3
137.02348	0.4
137.06111	0.3
149.02354	0.2
163.11095	0.3
167.03316	0.2
171.10252	0.3
185.11696	0.3
202.81271	0.3
207.10117	0.3
209.11832	0.4
225.11165	0.3
256.17920	0.2
289.47202	0.2
306.07938	0.3
533.86737	0.2
615.28473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	7.5
59.01251	12.7
66.46215	1.1
70.40021	3.7
71.01255	4.3
73.02819	3.5
85.02827	9.2
89.02310	1.8
96.92521	1.4
97.06479	7.8
101.02341	4.6
101.05944	2.9
106.30356	1.2
108.84161	1.4
109.06480	3.8
111.08066	2.1
113.02347	1.5
113.09628	3.5
123.04401	1.2
123.08043	7.5
125.02342	3.7
125.05988	1.6
137.02257	1.4
137.09607	2.7
138.06793	3.1
139.03929	1.4
139.11172	3.9
149.09660	2.2
152.08324	5.5
155.10689	2.1
167.10703	10.4
168.11456	1.8
169.23453	1.3
171.10181	5.4
181.12213	2.7
209.11816	5.4
214.12096	4.0
219.17543	2.1
233.49553	1.1
249.18555	5.1
263.20212	2.3
277.90213	1.3
280.89038	1.3
289.21603	6.5
307.22839	1.9
311.18597	3.7
325.23785	7.4
351.21442	1.7
369.22803	100.0
370.23145	10.8
393.22794	7.7
394.23187	1.8
455.51712	1.3
456.40005	1.3
464.38843	1.3
490.45392	1.2
516.44025	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24425	1.1
57.03314	5.4
59.01252	13.1
69.38203	6.4
69.38610	2.5
71.01243	4.0
71.04889	1.4
73.02811	4.6
76.60844	1.2
78.99306	1.1
83.01228	2.2
85.02831	9.5
97.06488	7.1
101.02316	2.0
101.05958	3.1
109.06451	4.0
111.04400	1.2
111.07980	1.3
113.02345	2.1
113.09592	2.9
123.08050	8.9
125.02312	2.6
127.07514	1.6
137.02312	1.8
137.09576	2.9
138.06754	1.7
139.11183	4.7
140.89020	1.2
145.36281	1.2
149.09656	2.6
152.08340	3.6
155.10661	2.0
165.09190	1.7
167.10638	8.4
168.11388	1.7
171.10181	4.0
172.39511	1.2
181.12274	2.3
181.90971	1.1
183.10249	1.3
185.23395	1.1
196.11014	2.2
209.11807	2.3
214.12032	2.6
219.17566	1.9
249.18544	2.7
263.20160	4.9
289.21725	7.1
307.22769	2.1
319.12881	1.7
325.23859	6.3
369.22794	100.0
370.23227	10.3
393.22809	8.4
426.71335	1.3
435.23599	1.5
579.76666	1.5
617.26819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	14.6
59.01250	25.2
69.03316	5.2
71.01261	10.9
71.04893	2.9
72.02022	2.8
73.02824	9.6
78.97229	2.1
83.01253	4.6
83.04900	2.3
84.05260	1.9
85.02831	2.9
89.02321	4.4
93.01661	1.9
95.04943	2.5
99.08021	5.5
101.02338	10.6
101.05965	14.5
113.02347	4.5
121.06483	2.0
121.10116	7.6
123.04375	3.3
125.02334	5.4
127.07526	1.9
129.09099	7.1
137.02350	2.3
137.09567	6.7
139.11165	7.6
163.11189	4.6
168.11562	2.3
171.10172	37.4
181.15880	2.3
183.13821	18.3
191.14398	2.4
197.15331	2.5
197.74861	1.9
201.11237	3.0
209.11787	27.4
209.15387	8.1
227.12798	5.4
249.18552	3.5
253.09224	3.4
263.44614	2.2
267.19543	3.1
307.22781	5.1
325.23761	12.1
351.21722	13.7
369.22803	100.0
370.23169	12.9
413.25287	3.3
573.29132	4.3
617.30591	2.4
627.88312	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01252	11.0
61.98697	1.1
63.21945	0.5
69.26769	2.7
69.27200	1.2
71.01246	4.9
73.02814	1.7
80.02581	0.8
81.03332	1.2
83.01228	1.0
83.04895	3.1
84.02033	0.9
85.02828	1.6
87.00745	1.2
89.02316	2.8
93.03330	0.6
95.01270	0.6
95.04902	0.6
96.95868	1.0
98.19712	0.9
101.02325	3.8
109.02837	0.6
113.02351	2.1
119.03378	0.6
123.04401	0.8
124.52279	0.5
125.02309	2.3
125.05955	0.5
125.09618	0.8
127.11182	1.7
137.02301	1.1
151.03900	0.9
161.04480	1.2
163.03926	0.5
163.11179	2.9
165.01807	0.7
165.12756	2.2
171.10181	100.0
172.10519	4.9
177.01746	0.5
181.12265	0.8
185.00868	0.5
191.10794	0.8
199.13354	0.7
209.11774	90.3
210.12100	5.7
211.13423	1.0
227.12837	13.6
228.13162	1.0
235.08202	2.3
247.47569	0.4
249.18556	0.8
253.09262	7.9
254.09708	0.5
289.07162	1.1
369.22879	3.0
407.19052	0.9
445.20721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38367	0.5
52.49703	0.5
56.30905	0.4
57.03333	1.2
59.01254	100.0
60.01579	1.1
61.98708	2.7
69.03327	0.9
70.84077	1.5
71.01254	6.8
72.99194	0.8
73.02822	3.2
75.48628	0.4
75.73329	0.6
78.42082	0.4
83.01274	1.3
85.02827	2.7
87.00733	1.0
89.02318	5.0
93.03374	0.7
95.01257	0.8
97.02824	0.6
98.36876	0.5
99.00732	0.8
101.02342	4.8
109.02840	0.7
113.02334	8.5
115.03925	0.7
118.98026	0.5
119.03416	2.0
119.04255	0.5
123.04485	0.6
125.02373	2.0
131.03427	0.5
135.04419	0.9
135.58984	0.5
139.03957	0.7
140.49307	0.5
143.03464	2.0
149.04507	0.7
151.00333	2.0
161.02412	1.2
161.04495	3.9
165.01794	0.7
173.04533	0.8
179.05600	1.4
187.07628	0.5
201.52283	0.5
230.77693	0.5
267.07251	0.5
287.05817	0.7
289.07401	0.7
317.21164	0.9
326.98560	0.5
335.22485	2.2
352.06186	0.7
353.23477	1.7
395.07867	0.7
479.26691	1.4
497.27594	2.6
515.29102	1.5
557.29913	4.4
558.30048	1.5
617.15552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03307	2.0
58.00472	5.5
59.01249	100.0
60.01575	1.4
70.02836	1.3
70.65667	0.9
71.01253	74.2
71.52824	1.8
72.01554	1.6
72.99177	8.0
73.02795	2.2
83.01246	2.5
83.04881	2.4
85.02816	11.1
85.06451	3.2
87.00750	2.6
88.03926	1.6
89.02316	99.0
95.01252	5.7
96.95893	20.0
98.02361	1.4
100.13300	1.0
101.02324	46.9
108.08044	4.7
113.02328	28.8
114.02606	1.1
115.07518	1.0
115.86208	0.9
119.03386	53.0
125.02315	1.9
126.09136	9.3
131.03366	3.7
138.09114	1.9
143.03410	7.5
143.42822	1.0
149.04449	2.8
153.59123	1.0
156.10190	2.2
161.04463	6.9
179.05540	17.6
184.09720	2.4
219.85933	1.0
236.55078	1.0
251.23703	1.7
253.25343	14.8
254.25673	1.3
281.24765	3.3
283.26239	1.4
298.27383	2.0
299.25934	5.6
324.29034	3.3
340.28531	1.3
352.28619	1.9
408.34824	1.9
420.34796	4.8
438.35852	51.8
439.36264	7.8
456.36954	22.9
457.37228	4.0
618.42194	62.9
619.42596	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	619.2562
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
68.99709	0.7
70.38026	2.1
79.78893	0.6
93.20055	0.5
159.86212	0.5
182.55956	0.6
216.00101	0.6
232.86845	0.5
293.63400	0.6
389.15201	1.0
401.08780	0.6
401.14182	2.0
415.15756	3.6
416.16415	12.3
417.16873	1.2
429.17410	1.0
430.18210	2.6
431.18506	1.7
434.17444	0.7
444.15707	1.2
445.16095	0.9
452.66922	0.6
459.18268	100.0
460.18655	17.4
473.19830	13.9
474.20517	7.8
475.20837	0.9
501.19315	2.0
503.17282	2.7
504.18204	1.0
517.18652	1.9
518.19586	43.5
519.19928	7.8
527.20355	0.8
532.21149	7.3
533.21942	73.3
534.22260	12.8
543.20789	0.9
545.21954	0.8
587.23138	6.0
588.23334	1.2
619.25598	51.0
620.26019	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	619.256
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93605	1.5
61.98658	2.2
64.60748	1.6
68.17681	1.9
70.08913	5.2
144.92894	1.9
401.13858	2.7
415.15692	4.0
416.16492	11.0
430.17715	2.6
431.18484	2.5
459.18256	100.0
460.18674	18.5
473.19791	14.7
474.20273	7.9
503.16898	3.6
518.19568	48.4
519.19641	7.8
532.21356	10.9
533.21899	89.9
534.22113	17.9
587.22888	5.4
619.25549	74.9
620.26154	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	619.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28571	0.5
51.29166	0.5
51.86921	0.5
54.36614	0.5
57.03328	6.7
59.01246	8.3
61.98711	0.8
63.28912	0.5
67.71570	0.7
71.01255	3.9
71.04897	1.0
72.01638	0.6
72.02032	1.4
73.02813	3.1
83.01281	0.7
85.02811	1.7
87.04388	12.1
89.02319	0.8
95.04935	0.6
96.95880	2.2
97.02766	0.6
97.06408	0.8
98.20576	1.4
99.08005	0.6
101.02314	2.5
109.06475	1.1
111.08027	4.2
113.02338	1.6
113.09613	3.1
117.72144	0.6
123.04400	3.9
123.08035	3.3
125.02321	0.8
125.09605	1.3
127.11189	4.9
131.18379	0.6
137.09607	6.0
139.11131	1.4
143.10692	2.4
149.09625	2.3
151.07532	5.7
151.11139	0.9
153.09081	1.3
155.10699	3.9
157.12241	3.4
163.11189	2.0
165.09143	1.1
167.10701	5.2
169.12282	2.1
181.12244	5.3
183.13780	1.0
187.13351	0.9
189.74625	0.6
195.13786	0.6
199.13324	2.1
201.14893	3.8
205.16049	0.7
213.14943	4.3
215.16493	4.6
229.64632	0.6
237.18661	0.8
243.15930	3.8
244.16820	1.0
245.17557	8.1
249.18608	2.2
259.19073	0.7
281.21228	1.7
283.22766	3.0
285.94150	0.7
309.24332	0.8
311.22418	0.7
325.23657	1.0
327.25375	18.3
328.25540	2.8
353.23438	0.7
371.24356	100.0
372.20438	1.2
372.24719	12.0
395.24405	8.3
396.24924	1.3
404.98193	0.7
425.25500	0.8
437.25577	1.8
575.30994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55503	0.9
54.38603	0.9
57.03323	10.8
58.00472	2.4
59.01249	15.4
69.03307	2.1
69.62742	6.6
71.01255	6.5
71.82201	1.0
73.02822	7.1
81.03296	0.9
83.04917	1.0
85.02833	3.3
87.00755	0.9
87.04400	2.8
89.02332	1.5
95.04893	1.1
96.95928	1.4
97.06431	2.2
98.19794	1.7
101.02328	4.0
111.08028	3.0
113.02285	1.9
113.09612	2.3
123.04452	1.6
123.08075	6.1
125.09639	4.9
127.11181	4.2
137.09634	3.7
139.11176	2.6
141.09154	2.0
143.10683	3.8
148.49586	0.9
149.08556	1.3
149.09604	9.1
151.07588	4.1
155.10661	3.1
157.12317	2.8
165.12766	1.0
167.10689	12.4
169.12271	1.0
187.13315	1.3
239.20129	2.1
251.20276	1.0
269.12949	1.1
269.21225	17.3
270.21582	1.3
283.18851	1.0
295.19196	1.5
309.24310	1.8
313.20239	26.1
314.20468	2.4
318.78867	1.0
327.25409	4.8
337.20145	1.3
371.24362	100.0
372.24753	11.8
395.24356	3.5
515.28601	2.2
548.66052	1.1
575.30560	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	619.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75457	1.8
57.03330	50.3
58.00456	3.8
58.05880	2.2
59.01255	43.9
69.03321	4.3
69.47007	12.7
69.47422	5.2
71.01247	16.1
71.04895	2.5
72.99182	2.4
73.02828	23.5
75.00727	4.0
83.01273	4.7
83.04901	2.0
85.02817	5.4
87.04409	2.4
89.02319	4.1
93.45868	2.4
95.04865	3.2
96.95884	3.9
97.06464	2.5
99.04401	13.0
101.02323	13.6
105.84650	1.9
107.08575	2.3
109.06513	2.4
111.08030	6.9
113.02313	5.0
123.04414	17.8
124.04691	2.1
125.09618	19.3
127.11181	10.0
129.09081	5.1
131.08452	2.1
135.04466	2.3
138.06741	3.8
139.07503	2.6
139.11243	2.5
149.09622	4.9
151.07593	3.8
151.54492	1.9
155.10614	5.4
157.12198	2.3
161.04483	3.6
167.10616	5.1
169.08618	100.0
169.12224	2.7
170.08925	6.6
171.13850	4.6
183.13824	4.4
193.08633	21.3
200.59868	2.2
201.14905	36.9
205.27222	2.1
249.18568	5.2
269.21219	15.2
313.20224	18.6
322.00803	2.6
371.24374	72.3
371.29108	3.7
372.24609	9.1
373.15308	2.5
395.24451	3.5
397.70728	2.3
554.40985	2.1
575.30933	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	621.1461
Annotation	6-Hydroxyluteolin 3'-methyl ether 7-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
55.38451	0.3
57.03262	7.4
57.03571	0.6
57.90247	0.3
59.01188	5.6
71.01250	3.6
73.02753	1.1
83.01200	0.8
83.44794	0.4
85.02769	1.4
89.02248	1.2
97.02787	0.4
98.20644	0.9
99.04395	2.0
101.02335	2.4
107.01212	0.9
108.01971	0.7
113.02236	1.7
114.88279	0.4
115.85777	0.3
125.02251	1.5
148.01514	0.7
151.00253	2.8
161.04440	0.7
163.00192	0.8
199.03841	1.3
201.90869	0.4
202.14085	0.4
215.03354	0.5
217.35875	0.4
226.02667	1.0
227.03368	2.0
228.04091	0.4
230.23946	0.4
230.26656	0.5
243.02956	6.4
244.03391	0.8
254.02180	1.7
255.02954	15.5
256.03351	1.4
271.02460	44.8
272.02924	5.2
285.03940	0.8
286.04623	0.4
299.01959	34.8
300.02719	100.0
301.03088	10.1
305.08618	0.7
314.04297	9.8
315.05090	96.0
316.05383	7.7
399.24042	0.6
459.09708	0.7
477.10394	9.7
478.10751	1.1
517.30096	0.6
519.11420	29.5
520.11658	4.8
559.14557	4.9
560.14795	0.9
561.29114	3.0
579.30109	3.0
621.14337	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81137	0.3
55.01748	1.9
57.03321	2.7
58.00474	0.8
59.01250	79.9
61.67932	0.4
61.98709	0.6
68.99679	0.6
69.03333	2.1
71.01253	42.7
71.51730	0.4
71.52188	0.5
72.01597	0.5
72.99184	1.6
73.02821	15.4
75.00743	1.3
79.67806	0.4
81.03320	2.2
83.00755	0.6
83.01256	12.1
83.04928	0.7
84.02056	0.4
85.02821	24.6
86.03156	0.8
87.00746	5.6
87.04389	0.5
89.02317	12.2
93.03334	1.3
95.01260	4.9
97.02837	4.4
99.00757	18.4
99.04415	0.9
101.02322	31.4
106.02712	0.4
109.02841	1.5
111.00757	2.0
113.02332	27.2
114.02677	1.1
115.03916	0.7
116.92731	0.4
119.03381	5.0
121.02831	0.4
125.02341	7.3
127.03858	0.7
131.03410	2.1
135.02872	0.5
137.02350	3.6
139.03915	0.6
141.01755	0.5
143.03394	14.7
144.03687	0.4
149.04471	2.2
151.03883	0.6
155.03386	2.0
155.10561	0.4
159.02896	1.0
161.04462	19.5
162.04839	0.8
171.10095	0.4
179.03464	0.4
179.05498	1.6
185.04494	0.4
190.02875	0.4
197.06009	22.2
198.06302	1.5
203.05531	9.0
205.03458	0.4
221.06587	1.8
225.05521	91.2
226.05859	7.1
227.05579	0.6
240.07881	100.0
241.08226	9.6
245.06628	0.6
253.04808	0.3
255.10239	99.6
256.10593	9.3
257.06735	1.4
305.08780	26.8
306.09076	1.4
323.09814	48.3
324.10162	3.4
363.36145	0.4
365.10861	11.6
365.15405	0.6
366.11383	0.7
373.25842	0.7
417.19174	2.3
459.25824	1.4
477.27094	0.5
501.30554	0.6
519.31244	0.5
577.31970	0.5
621.33002	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	621.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01257	5.9
61.26089	0.6
70.00514	2.5
71.01248	1.6
73.02802	1.1
85.02826	0.7
87.00750	0.7
89.02311	0.9
95.01256	1.5
97.02812	0.9
101.02328	1.0
101.25134	0.8
109.02835	2.5
110.84667	0.5
113.02293	0.9
121.02818	0.6
123.00758	2.5
124.80821	0.7
125.02348	1.4
137.02341	8.0
139.00284	0.7
149.02388	0.9
151.00270	15.9
151.03853	0.8
152.01004	1.7
152.04655	2.5
153.05507	0.6
154.02666	0.6
155.10718	0.9
155.43933	0.6
163.03888	0.9
164.03477	0.7
164.11523	0.7
165.01724	0.6
166.02631	49.6
167.03299	2.3
177.01839	3.2
177.05444	0.9
178.02522	0.9
181.04988	60.9
182.05315	2.8
184.03723	0.8
187.02289	0.6
190.06291	1.3
191.03413	0.9
192.04250	0.9
193.05028	0.7
205.08656	1.0
207.02855	0.7
271.02493	1.1
299.01828	0.9
315.05026	0.8
331.13995	0.6
354.06012	1.0
355.06418	1.8
357.04514	1.3
359.11319	1.3
372.07269	1.4
373.07687	1.5
373.25784	1.1
387.10852	11.3
387.15536	0.9
402.13092	5.9
417.15515	100.0
418.15851	13.5
499.29776	0.9
517.30078	3.1
559.12274	1.0
577.14081	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	621.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84920	0.5
57.03316	0.8
59.01252	15.3
61.98699	1.6
71.01255	4.1
73.02810	2.0
75.00740	0.9
80.73425	0.5
83.04897	0.9
85.02808	2.0
89.02359	1.2
89.85804	0.5
95.04873	0.8
95.17339	0.5
97.02826	0.8
99.00758	0.7
101.02339	2.1
107.04935	1.2
109.02817	0.7
113.02341	1.6
117.03375	0.7
119.04879	0.7
121.06447	0.6
123.04420	2.2
124.01511	0.8
125.02350	3.4
134.03653	0.6
135.04401	1.2
137.02339	3.6
138.03108	0.8
139.03915	1.7
143.03287	0.6
145.02782	0.7
148.05139	0.7
149.05992	2.2
150.03165	5.4
151.03943	6.3
152.04674	1.0
161.02356	0.8
161.04514	0.6
162.03011	0.6
163.03903	2.1
164.04694	1.7
165.05479	9.0
167.03381	0.9
171.10175	2.5
175.03934	1.6
176.04677	3.8
177.05507	9.2
178.06197	2.0
179.07085	1.8
184.03714	0.6
191.05460	1.2
191.07065	11.7
195.06613	0.7
199.09792	0.7
204.38815	0.5
205.04965	0.5
205.08627	0.8
206.05598	0.6
207.06573	1.7
209.11823	1.0
221.08153	2.4
223.43652	0.6
232.07251	0.6
235.09813	0.6
236.10541	0.8
369.13474	0.7
372.12061	0.8
387.14462	15.8
388.14902	1.2
401.16043	1.1
402.16818	21.5
403.17316	3.1
417.19183	100.0
418.19498	11.2
501.30795	1.5
519.31860	1.2
561.33032	0.7
621.32629	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	621.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.4
57.03305	1.1
59.01253	17.2
69.03334	0.5
70.47552	1.8
71.01251	5.4
72.99158	0.6
73.02827	2.6
83.01254	1.0
83.04905	0.6
85.02808	1.9
87.00730	1.2
89.02286	2.6
90.13787	0.5
93.03329	0.6
95.01257	0.6
95.04900	0.5
96.95855	0.9
97.02802	0.7
99.00746	0.5
99.04383	0.7
101.02313	3.1
104.66945	0.5
107.04900	2.2
109.02824	1.4
113.02345	2.5
113.32822	0.5
119.03399	0.9
119.04919	0.8
121.02853	0.7
121.06450	0.5
123.04395	2.4
123.08028	0.5
124.01530	1.1
125.02313	1.8
131.04907	0.6
133.06474	0.5
133.73982	0.5
135.04407	1.0
137.02306	2.1
137.03214	0.5
138.03145	0.9
139.03929	2.3
143.03369	0.8
145.02948	0.5
148.05202	0.6
149.02286	0.8
149.06003	3.0
150.03152	6.7
151.03931	6.5
152.04675	1.5
159.04425	0.9
161.02455	0.6
161.04422	0.9
162.03102	1.5
163.03934	3.9
164.04721	2.7
165.01854	0.6
165.05492	9.1
175.03928	2.0
176.04713	4.0
177.05478	15.2
178.06282	2.3
179.03444	0.8
179.06967	1.6
184.03584	0.6
185.11748	0.5
190.06303	0.8
191.07063	11.3
192.07565	1.0
193.04930	0.7
195.06531	0.7
202.06290	0.6
205.08653	1.0
207.06549	1.5
217.08594	0.5
221.08093	1.6
223.13327	0.7
271.02402	1.1
299.01944	1.8
314.04422	1.7
315.05042	1.4
355.24963	1.1
359.14929	1.0
369.13446	1.0
371.24286	0.7
372.12085	0.7
373.25922	18.1
374.26321	1.4
387.14462	16.0
388.14920	2.7
401.15753	0.6
402.16803	21.4
403.17026	3.1
417.19183	100.0
418.19543	14.0
457.29388	0.6
459.26071	1.6
477.10281	1.1
487.29092	3.1
505.30148	1.2
517.29999	1.2
519.11475	0.9
547.31689	0.8
577.31946	4.6
578.31885	0.8
621.33569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
55.77512	0.9
57.03320	1.5
58.00459	2.3
59.01253	100.0
61.98700	0.9
69.03337	0.9
69.23942	1.5
69.24345	7.5
71.01260	39.6
72.99171	3.6
73.02820	7.4
75.00794	0.9
77.03029	0.8
83.01249	4.3
84.26932	0.8
85.02827	12.8
87.00767	5.3
89.02321	34.8
93.03318	3.5
95.01311	2.1
96.95917	1.3
97.02818	1.0
99.00781	1.2
100.87588	0.9
101.02326	21.2
111.00725	1.3
113.02336	24.4
119.03393	13.0
125.02324	2.6
131.03413	1.7
132.04428	3.8
134.05978	2.5
135.04398	1.2
143.03398	3.6
149.04427	1.9
151.00253	1.2
155.10660	3.8
161.04459	6.1
164.28824	1.0
165.01743	0.9
166.02621	1.6
173.04517	3.3
179.05504	7.1
181.05025	1.0
181.08508	1.0
191.05508	1.2
191.17993	0.9
199.09735	2.9
201.50470	0.9
216.29462	0.9
279.11328	1.6
297.07388	1.1
298.13269	0.9
329.12756	1.1
373.15070	4.1
417.15570	1.2
479.28674	1.0
487.21417	1.0
501.18863	1.5
517.26538	49.6
518.26837	8.0
535.27588	28.4
535.35248	1.8
536.27832	3.8
545.17780	9.1
546.17902	1.2
577.20386	2.7
577.28595	3.8
578.29095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	92.6
60.57701	6.1
69.03333	10.0
71.01258	34.0
73.02823	8.3
83.01268	8.5
85.02828	11.0
85.45316	4.1
87.00751	12.8
89.02306	29.7
96.95896	7.3
99.00747	5.9
101.02327	16.4
111.00836	4.6
113.02323	20.7
118.23644	4.5
119.03365	11.3
121.02840	5.2
125.02293	8.5
132.04469	10.0
134.06036	6.8
137.02361	10.8
137.09598	4.9
151.00316	23.4
151.03902	5.3
155.10698	14.9
161.04510	6.3
166.02663	51.7
171.04434	4.9
173.04401	13.4
178.99811	5.4
179.05487	11.4
181.04965	80.1
191.05496	6.0
199.09695	14.3
205.04822	6.7
211.04070	6.5
213.05518	5.9
239.03409	5.3
239.53925	5.1
243.02811	6.6
269.04578	8.4
271.02484	8.6
279.11203	4.6
299.01941	8.6
300.02621	14.9
313.03412	23.6
329.12457	6.0
387.10855	15.8
399.23550	5.2
402.12933	6.5
417.15536	100.0
418.16098	11.2
459.12894	8.0
517.26514	38.6
535.27490	19.6
545.17554	36.8
577.05280	5.0
577.20477	10.2
621.14111	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52326	2.1
55.01748	1.7
57.03333	9.3
59.01251	100.0
60.01564	1.7
68.73732	1.7
69.03336	1.9
71.01254	41.7
72.99169	1.9
73.02819	28.8
79.05417	5.5
83.01251	8.2
83.04877	2.2
85.02823	12.9
87.00745	6.4
87.04395	10.1
89.02322	19.3
89.87328	1.9
95.01258	4.1
96.95882	5.2
97.02840	3.5
99.00766	2.4
99.04391	2.1
101.02323	28.7
106.84679	1.6
113.02312	21.0
115.91936	2.8
116.92744	8.7
119.03397	11.6
125.02309	5.0
125.09607	3.8
131.03401	2.6
132.50456	1.9
143.03413	3.4
143.10635	2.7
149.04512	2.1
151.07530	4.1
155.10611	2.9
155.94318	1.8
161.04483	6.2
167.10646	3.6
169.12195	3.4
179.05536	5.2
183.13852	2.3
187.13264	6.6
201.11230	2.3
242.15112	1.8
255.02896	2.1
319.22949	2.1
329.26901	10.9
337.23773	7.3
355.24838	6.4
373.25958	77.8
374.26263	10.1
397.25992	4.8
459.26141	4.4
465.77802	1.9
477.26877	3.1
481.28027	3.4
487.29248	8.7
488.29675	2.3
499.29187	4.9
505.30197	3.3
517.30231	31.8
518.30396	6.5
535.31531	18.4
547.31635	2.7
577.32214	11.7
597.25018	2.6
621.33472	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01254	3.7
61.98708	0.5
71.01255	3.1
73.02813	0.9
81.03288	0.3
83.01249	0.6
83.04845	0.4
85.02819	1.1
87.00739	1.5
89.02303	1.6
89.33854	0.4
101.02322	1.7
109.06461	0.8
111.08044	0.4
111.40746	0.4
113.02321	1.3
125.02327	0.7
135.08041	0.4
137.09604	0.5
145.04947	0.7
146.99399	0.4
161.02341	0.5
161.04454	0.5
179.14316	0.8
195.13849	7.3
196.14233	0.7
204.92336	0.4
205.12334	0.5
205.15877	0.4
211.13252	0.6
215.92415	0.4
223.13376	5.7
225.13336	0.3
228.13628	0.9
235.08275	2.1
256.13156	1.3
258.04025	0.4
261.18726	0.4
265.21750	0.6
275.20175	3.9
276.20483	0.6
293.21225	100.0
294.21576	11.3
315.27008	0.7
317.28802	0.4
325.25296	1.0
341.24881	0.5
343.26398	1.3
359.25970	1.7
369.24307	2.2
387.25409	10.1
405.26483	7.5
479.29999	0.5
595.34485	0.5
623.34290	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93751	0.5
55.27546	0.5
63.02267	0.7
65.00174	0.6
69.37479	1.3
69.37898	3.5
101.03825	0.7
107.01286	1.8
145.02879	0.9
149.90448	0.6
151.00247	6.4
157.02879	0.5
171.04405	1.4
178.99750	3.1
183.04414	1.5
186.63567	0.6
187.03874	1.0
199.03952	7.6
200.77370	0.6
201.01874	2.1
203.03471	1.1
205.08736	0.6
211.03964	0.7
215.03462	4.2
226.02618	0.8
227.03430	6.8
228.03770	0.6
229.01486	0.9
240.51224	0.6
242.02162	8.9
243.02953	40.8
244.03249	3.1
247.33916	0.5
254.02344	0.6
255.02975	12.3
256.03503	1.1
257.04565	7.6
270.01685	7.7
271.02475	49.3
272.02902	3.3
285.04037	15.8
286.04712	5.6
287.05447	1.6
299.01965	86.3
300.02579	15.2
301.03232	1.0
313.03497	2.9
314.04309	100.0
315.04993	21.2
316.05597	1.8
357.05917	0.6
389.16000	0.9
459.09415	1.9
466.61276	0.7
477.10486	0.6
503.11911	0.9
623.16168	88.6
624.16370	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88303	0.4
53.31378	0.4
58.84150	0.4
64.66045	0.4
69.42879	3.6
82.01654	0.4
83.93559	0.4
107.01285	0.9
108.02075	0.5
113.61677	0.4
133.02806	0.5
148.01506	0.5
151.00288	2.3
163.00328	0.4
164.01067	0.5
175.03906	0.5
178.99786	0.6
187.03880	0.4
199.03990	2.6
201.01936	0.5
215.03485	1.4
226.02628	0.7
227.03470	2.6
233.59479	0.4
242.02080	0.7
243.02939	3.9
244.03381	0.5
255.02960	4.7
256.03430	0.6
269.86310	0.4
271.02481	51.5
272.02884	3.8
285.04059	1.5
299.01968	100.0
300.02698	46.5
301.03122	3.0
314.04330	14.0
315.01340	0.7
315.05069	10.8
316.05417	0.9
324.02698	0.6
357.05847	0.7
566.18903	0.5
623.16156	33.0
624.16547	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	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55234	0.2
54.99342	0.2
55.43007	0.2
57.73945	0.2
65.00224	0.3
71.39604	0.3
72.58137	0.2
93.79795	0.2
95.74104	0.2
107.01292	0.6
108.02087	0.4
123.00682	0.2
124.01543	0.3
125.02341	0.2
151.00272	3.1
163.00302	0.8
171.04385	0.4
178.99826	0.4
182.17531	0.2
183.04483	0.4
183.09795	0.2
189.01997	0.2
197.82629	0.2
199.03918	2.5
201.01863	0.4
203.03357	0.3
204.04173	0.6
205.05009	0.2
215.03439	1.3
216.04131	0.2
225.02171	0.3
226.02660	0.4
227.03450	2.8
228.04176	0.5
242.02193	2.0
243.02968	15.2
244.03542	2.3
254.02090	0.8
255.02959	9.7
256.03445	1.3
257.04504	1.8
259.06174	0.8
270.01697	1.7
271.02469	26.8
272.03073	4.9
283.02441	0.4
285.04031	4.8
286.04681	1.9
287.02548	0.3
287.05548	1.7
299.01962	33.5
300.02704	33.7
301.03076	3.0
313.03616	0.9
314.04315	31.8
315.05087	100.0
316.05408	9.9
357.05948	1.1
389.16089	0.5
623.16144	76.3
624.16504	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38781	0.3
59.01250	1.2
59.55951	0.3
71.01253	4.4
71.18133	0.3
71.29443	0.6
73.02819	3.0
73.47104	0.4
81.35484	0.3
81.45110	0.3
87.00755	2.1
89.02317	23.7
96.63573	0.3
101.02303	0.4
103.03880	1.8
105.01812	0.4
107.04900	0.4
117.03361	0.4
119.04917	1.2
131.03398	6.2
133.02844	1.8
134.03679	1.7
134.33914	0.3
135.04417	27.3
136.04753	1.0
149.04462	100.0
150.04810	2.9
161.02348	3.7
163.03928	1.9
165.03955	2.8
168.77873	0.3
179.03427	16.0
180.03772	1.4
311.07721	21.9
312.08054	1.4
397.59183	0.3
407.39319	0.4
470.10727	0.3
488.19534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15689	0.1
57.03329	1.4
59.01252	4.1
61.98713	0.2
63.02284	0.1
65.00169	0.7
67.01747	0.2
69.03337	0.2
69.90459	0.1
71.01256	1.5
71.41595	0.2
72.60841	0.1
72.99217	0.2
73.02816	0.5
80.02555	0.1
81.03333	6.4
82.03662	0.2
83.01254	1.9
85.02815	0.7
87.00729	0.3
88.98668	0.3
89.02316	0.5
93.03336	0.6
95.01276	0.4
95.04921	0.4
97.02822	0.5
97.06474	0.2
101.02341	0.8
107.01292	0.9
107.04911	0.4
109.02841	0.6
111.04382	0.1
113.02323	0.5
117.07003	0.1
119.03419	0.2
119.04920	0.2
119.81408	0.1
121.02835	0.9
122.03629	5.1
123.04407	0.2
124.01557	0.4
125.02336	8.7
126.02674	0.2
131.04932	0.8
135.04462	0.2
137.02322	0.6
139.03946	0.7
141.07030	0.2
143.08537	0.3
145.06436	0.2
147.08049	0.7
148.01616	0.1
149.02359	1.3
149.05995	0.5
151.00266	2.4
151.03911	0.2
152.01105	0.9
153.01855	0.1
153.06972	0.2
155.04884	0.2
156.05728	1.4
166.02631	0.7
167.03360	0.5
167.08572	0.3
169.06493	1.8
171.08066	3.4
172.08334	0.3
173.04668	0.2
173.05991	4.8
174.06279	0.3
175.00250	0.4
179.03429	0.8
183.08099	0.4
184.05190	0.4
185.09630	0.4
189.09193	0.2
190.02660	0.2
191.03355	0.1
195.08047	1.5
197.05946	0.2
198.06784	0.2
211.07520	0.3
213.09158	26.0
214.09505	2.0
215.07170	0.2
223.07651	0.5
225.09143	0.3
227.07066	0.4
229.39342	0.1
233.23503	0.1
239.07111	3.2
240.07414	0.3
241.08658	0.4
253.08641	1.0
254.09001	0.2
256.07343	0.2
257.08179	100.0
258.08514	9.5
258.11359	0.2
263.07129	1.1
269.08188	0.3
271.02414	0.2
271.09778	1.8
272.09824	0.2
281.08188	13.8
282.08569	1.3
283.09634	0.2
293.08234	0.2
296.06845	0.2
299.09229	5.6
300.09476	0.4
311.09241	1.8
315.05215	0.2
315.25165	0.2
323.09161	0.3
357.26492	0.2
375.27560	0.8
383.11441	0.2
401.12338	0.6
419.13437	3.8
420.14026	0.7
443.13541	0.7
461.14529	23.2
462.14963	3.6
503.31775	0.2
512.01752	0.2
519.31696	2.3
520.32208	0.5
537.32806	0.7
553.76300	0.2
579.33350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19921	0.8
53.04205	0.8
57.03312	3.1
57.25802	1.0
59.01249	37.9
60.01588	1.7
61.98703	80.9
67.01765	1.1
69.03308	1.8
70.09811	0.8
71.01254	11.7
72.99165	1.0
73.02809	2.8
75.00738	0.9
81.03323	3.7
83.01260	2.6
85.02813	5.9
87.00735	1.6
88.98688	4.1
89.02323	5.0
93.03298	1.5
95.01257	1.1
95.04905	4.6
97.02828	1.7
99.00754	1.7
99.04407	1.4
101.02325	5.8
107.04919	3.0
108.08114	1.2
109.02812	2.5
113.02331	4.3
119.03418	1.2
121.02867	1.7
123.04413	5.9
124.01521	1.0
125.02339	7.9
129.05463	0.8
131.03363	1.0
135.04402	2.3
136.05214	0.9
137.02345	9.6
138.03122	1.7
139.00333	0.8
139.03925	1.7
143.03357	0.9
149.02394	1.0
150.03159	12.7
151.03920	26.5
152.04305	1.5
154.03630	0.7
161.02318	1.5
164.01018	1.0
164.04671	3.0
165.01859	1.3
165.05479	25.3
166.02594	1.6
166.05838	1.1
167.03432	11.5
173.04524	1.7
173.05910	1.9
177.01825	1.8
177.05489	1.9
179.03365	1.2
179.07018	1.9
191.05547	1.1
209.11705	1.2
223.03987	1.7
227.10751	2.6
233.00844	2.4
238.06293	1.6
239.06680	1.1
243.03014	1.8
253.08652	4.8
254.09023	2.4
255.09903	2.9
257.08185	1.4
269.08170	1.4
271.02435	3.7
281.08145	2.0
285.20496	1.0
289.07275	1.7
299.01950	3.6
299.09225	24.1
300.02625	2.6
300.09485	2.4
314.04224	1.2
315.05048	2.5
323.09323	5.0
329.10446	1.1
341.10428	1.3
357.26550	2.2
357.63318	1.0
371.14722	1.4
374.13757	1.9
374.26315	1.3
375.27493	23.9
376.27878	2.2
389.16061	13.4
390.16534	1.5
395.06302	1.3
399.27283	1.2
404.18378	23.7
405.18759	2.7
419.20743	100.0
420.21091	11.8
461.14542	31.0
462.14624	4.6
491.15588	1.0
503.32086	3.2
519.31720	3.3
520.31268	2.4
521.32880	1.0
537.32196	1.4
547.18085	2.9
579.33038	13.6
580.33618	1.6
623.16705	2.8
623.33862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69244	1.0
57.03318	1.7
59.01252	37.5
60.01581	1.9
60.99175	1.0
61.98703	91.9
69.03320	1.1
71.01266	10.3
72.99174	1.7
73.02811	4.2
81.03340	3.4
83.01263	3.3
85.02843	4.3
87.00747	1.4
88.98682	3.9
89.02312	4.9
93.03334	1.3
94.67934	0.9
95.01263	2.0
95.04919	4.9
97.02826	2.3
97.42428	0.9
99.00761	1.1
99.04415	1.7
101.02328	6.4
107.04911	2.0
108.08039	1.2
109.02821	1.8
113.02348	3.4
119.03443	1.0
123.00770	0.9
123.04366	4.7
124.01575	1.5
125.02357	10.5
133.02878	1.2
135.04395	3.6
137.02348	12.4
138.03084	1.6
139.03926	1.7
143.03423	1.1
149.02382	1.4
149.05998	1.8
150.03128	13.7
151.03915	31.7
152.04640	1.2
152.07056	1.7
161.02333	2.0
161.04518	1.6
163.03902	1.4
164.04648	4.4
165.01820	1.7
165.05475	25.1
166.02589	2.2
167.03412	14.1
171.08011	1.1
173.04471	1.1
173.05956	1.8
175.03876	1.3
177.01920	1.3
177.05515	2.9
179.03386	1.8
179.07079	1.6
181.36441	0.8
193.01378	1.3
199.04234	0.8
203.07111	1.1
213.09052	1.7
222.09081	1.0
222.80751	0.9
223.04034	2.2
223.09796	1.7
225.05440	1.0
227.10715	1.9
233.00816	2.1
238.06325	1.5
239.06700	1.8
240.07133	1.1
243.02888	1.1
253.08633	3.4
254.08990	2.7
255.09898	1.6
255.89621	0.8
257.08234	2.7
269.08151	1.3
270.99286	0.9
271.02402	2.9
281.08151	3.0
289.07098	1.4
299.01971	4.2
299.09247	22.3
300.02649	2.5
300.09619	2.6
314.04233	2.2
315.04993	2.6
323.09277	7.4
324.10022	1.1
357.26294	2.4
371.14832	1.4
372.14255	0.9
374.26080	1.0
375.27493	26.1
376.27774	2.2
389.16043	13.8
390.16498	1.8
395.06168	1.2
399.27591	1.1
404.18475	23.1
405.18787	2.6
419.20749	100.0
420.21106	17.4
461.14526	31.3
461.19940	0.7
462.14774	4.0
491.15744	1.6
503.32019	3.4
519.31512	3.4
520.31537	2.6
521.33374	1.5
547.18292	2.8
579.33185	16.5
580.33557	2.1
623.16760	3.0
623.35193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3436
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01752	1.3
56.55885	0.4
57.03328	2.6
58.00455	1.2
59.01252	19.0
65.03817	0.6
68.99697	0.4
69.03320	1.8
71.01256	21.2
71.04902	0.7
72.99172	1.8
73.02811	5.3
73.52689	0.4
81.03325	1.5
83.01261	2.9
83.04900	2.7
85.02822	6.5
85.99953	1.1
87.00753	8.5
89.02326	9.0
91.03860	0.8
93.06980	0.5
95.01239	1.8
95.04896	1.4
97.02834	1.5
97.06466	1.7
99.00760	1.0
100.52943	0.4
101.02322	13.5
103.03894	0.9
107.04874	1.1
109.06482	2.1
111.00726	0.5
111.04398	0.9
111.08025	2.4
113.02336	7.4
115.03860	0.8
119.03383	2.4
119.04890	0.4
119.08557	0.5
123.08079	0.5
125.02314	2.5
129.01788	0.6
133.04973	1.0
133.06467	0.8
135.08072	2.2
137.09598	2.0
143.03323	1.1
145.04967	6.0
156.19130	0.5
161.04501	4.3
161.09618	0.6
163.09766	0.4
163.11237	0.5
165.12651	0.5
175.11278	0.4
179.05496	1.9
182.28728	0.4
193.12291	0.7
196.76328	0.5
203.14365	2.8
205.15923	0.9
207.17458	0.8
211.13338	1.5
213.14893	2.2
221.15428	0.7
231.17574	1.6
235.08194	13.9
237.14897	1.1
239.16481	3.0
241.18137	0.9
245.19000	0.7
247.13260	1.0
247.16930	0.5
249.14891	0.7
249.18437	0.7
256.43256	0.4
261.18433	0.5
263.16409	0.6
265.18124	1.7
267.19659	1.3
270.01309	0.5
275.16602	2.7
277.18076	1.4
285.21881	0.5
293.21381	1.1
313.25085	0.9
315.26874	3.8
325.25348	6.7
326.25656	1.1
333.27924	0.8
341.24829	5.2
343.26349	7.6
344.26617	0.7
351.23282	3.9
352.23657	0.8
359.25897	11.4
360.26282	1.1
361.27390	2.8
369.24326	15.3
370.24814	2.5
377.26883	1.8
387.25409	54.1
388.25775	8.0
405.26453	45.8
406.26776	5.8
458.48758	0.5
461.29056	1.3
479.30231	2.7
595.35004	2.5
605.33478	1.6
623.34338	100.0
624.34686	22.1
627.39789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03305	2.5
57.31818	0.5
58.00471	1.2
59.00961	1.2
59.01252	22.7
61.98674	0.8
67.01754	0.7
69.03312	2.1
69.43703	0.5
71.01253	23.2
71.04883	0.8
72.99174	1.7
73.02815	6.0
81.03349	1.1
83.01262	3.6
83.04877	3.3
85.02438	0.6
85.02831	7.5
85.06401	0.9
85.99965	1.2
87.00748	8.7
87.04388	0.9
89.01827	1.0
89.02319	10.9
91.03860	1.3
93.03353	0.6
95.01253	2.0
95.04893	1.2
97.02821	2.1
97.06437	1.3
99.00783	1.2
101.02324	16.5
103.03860	0.8
107.04883	1.0
109.02803	0.6
109.06498	3.5
111.04416	0.6
111.08041	3.3
113.02337	10.0
119.03417	3.5
119.04893	0.8
122.04465	0.5
123.08031	0.7
125.02330	2.6
129.53810	0.5
133.04887	1.3
133.06462	0.6
135.08051	3.2
137.09628	3.4
139.11189	0.6
143.03391	1.8
145.04973	6.4
151.11270	0.6
161.04466	5.0
179.05511	1.5
181.12167	0.9
183.13898	0.7
187.06009	0.9
203.14359	1.3
211.13341	1.2
213.14874	2.6
221.15442	1.0
225.14906	0.9
231.17479	0.9
235.08183	15.1
236.08670	0.7
237.14891	1.8
239.16481	3.5
247.13437	1.3
249.14902	0.9
251.16568	0.7
251.19839	0.6
263.16391	1.1
265.18015	2.4
267.19678	0.7
275.16431	3.3
277.18051	2.2
313.25348	1.2
315.26981	4.1
317.28326	0.8
325.25351	8.2
333.27859	1.2
341.24774	5.0
342.25278	1.0
343.26337	7.8
351.23282	3.0
352.23480	0.6
359.25922	11.6
360.26169	1.1
361.27426	2.0
369.24335	18.9
370.24689	2.1
377.26797	1.5
387.25397	64.6
388.25790	8.1
405.26447	51.3
406.26898	8.4
461.29141	1.0
479.29886	3.1
480.30588	0.8
581.37177	0.7
595.34686	1.6
605.33344	1.7
623.34332	100.0
624.34656	21.3
650.89893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03320	4.1
58.00490	1.6
58.43629	1.2
59.01252	56.0
60.36303	1.4
61.98709	2.3
62.64302	1.5
65.81506	1.3
69.03341	2.4
71.01261	20.1
73.02811	9.4
75.00726	1.8
79.69149	1.3
80.88111	1.4
81.03298	1.4
83.01284	2.5
84.41156	1.6
85.02808	8.4
87.00743	3.5
87.04363	1.7
88.98677	7.6
89.02312	5.4
93.03374	2.0
95.01302	2.1
97.06468	2.1
99.00733	2.3
99.07140	1.4
99.07931	1.3
101.02326	13.7
110.93159	1.4
113.02332	12.1
119.03403	2.2
125.02338	4.9
139.50305	1.4
143.03462	2.1
151.00247	1.8
157.12248	1.5
161.04434	1.7
168.02417	1.4
169.12199	2.6
173.04427	1.5
173.05997	2.0
183.13995	1.4
185.11751	1.7
207.03056	1.7
213.09184	4.2
243.02866	1.7
257.08182	23.6
258.08621	2.9
271.02390	2.6
281.08200	1.8
299.01886	2.2
299.09222	1.8
300.02539	1.8
329.23587	2.0
357.26477	5.0
359.27982	3.3
373.25919	3.7
374.26303	2.1
375.27505	100.0
376.27805	9.8
399.27484	2.0
401.12302	1.8
417.28625	2.0
419.13379	2.8
419.36298	1.5
461.14392	3.7
503.32266	18.0
504.32596	2.0
519.31757	19.1
520.32086	2.5
521.33386	5.7
537.32642	6.1
563.34332	3.3
579.33490	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	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44031	0.8
54.40950	0.7
59.01241	1.6
65.00195	2.9
68.99686	0.9
69.38389	5.4
71.01254	1.6
83.01275	0.8
83.63033	0.7
84.99239	0.8
88.98659	0.8
94.15276	1.0
95.01274	2.3
99.00760	1.1
107.01252	1.9
108.02100	0.9
109.02827	2.8
109.99979	9.3
111.00758	3.0
112.80766	0.8
123.00778	4.3
124.01557	2.8
125.99459	0.8
133.02824	0.8
135.00793	1.1
136.01570	0.9
136.98735	2.1
137.99492	3.5
139.00262	9.6
143.04929	0.8
146.72110	0.9
148.01547	1.1
149.02303	1.4
149.99496	0.9
151.00264	11.4
152.01071	5.7
158.03656	1.0
159.04445	2.2
161.02432	0.9
163.00253	1.5
164.01042	3.1
165.98987	11.6
166.99704	3.3
171.04382	1.9
174.03119	1.8
175.03876	2.2
176.01128	1.2
178.99806	11.5
180.00301	0.9
183.04431	1.5
186.03140	1.0
187.03929	4.2
188.04561	0.8
189.01836	2.3
197.02406	1.0
198.03165	1.7
199.03903	4.2
201.01843	2.4
202.02646	1.6
203.03474	4.6
211.03914	1.1
213.01851	1.9
214.02606	6.0
215.03427	4.9
216.00642	0.9
216.04103	1.7
218.02179	1.0
219.03015	0.9
226.02708	1.4
227.03398	6.6
228.03877	0.9
229.01372	1.8
230.02031	0.8
231.02913	4.3
232.03699	2.2
241.01239	0.9
242.02184	6.9
243.02980	9.1
244.03682	2.6
255.02982	6.1
259.02438	5.1
260.03149	2.7
268.36002	0.8
270.01712	8.3
271.02466	44.2
272.03098	9.4
273.03955	3.1
273.80347	0.9
287.01968	21.1
287.12335	0.8
288.02695	12.9
289.03162	1.1
298.01068	3.3
299.01959	45.6
300.02557	5.3
301.03604	1.9
315.01556	5.1
316.02225	95.1
317.02771	16.4
597.14319	1.3
607.12750	4.7
625.14081	100.0
626.14240	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	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02254	1.0
65.00179	1.4
70.03524	2.0
72.37253	0.4
77.28917	0.5
83.01222	1.2
84.82475	0.5
98.19868	0.8
105.81733	0.5
107.01280	3.1
108.02059	1.3
109.02837	1.5
121.02885	2.2
135.00821	0.7
137.02322	0.6
148.01563	1.3
149.02322	0.6
151.00278	13.0
152.00813	0.7
159.04327	0.5
163.00249	3.1
163.03912	0.6
164.01006	1.1
169.01373	0.5
178.99774	6.6
187.03918	0.7
192.00471	0.5
197.00929	0.5
199.03867	0.9
203.03514	0.5
211.03935	1.4
215.03416	0.8
226.02621	1.8
227.03424	3.2
228.04079	0.5
229.04959	0.7
243.02954	12.5
244.03384	1.4
245.04547	1.4
254.02223	2.8
255.02957	29.6
256.03357	2.1
271.02469	59.7
272.02878	6.5
273.03925	1.5
283.02411	1.3
299.01822	1.2
300.02731	70.0
301.03455	40.3
302.03864	2.4
312.35724	0.5
316.02368	0.7
343.04504	0.9
625.14069	100.0
626.14417	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.4
65.00198	2.8
70.68622	1.3
71.01244	1.1
73.69170	0.7
83.01245	1.1
85.02798	0.8
95.01248	2.8
99.00742	1.7
107.01258	3.3
108.02039	1.4
109.02842	4.6
109.99986	6.2
111.00799	3.7
121.02915	1.1
121.46091	0.8
123.00794	5.8
124.01534	2.6
124.98703	0.9
125.02317	1.9
132.02080	0.8
133.02859	1.7
135.00789	1.8
135.04413	0.8
136.98683	2.2
137.02313	2.5
137.99484	2.8
139.00262	10.1
145.02913	1.0
148.01553	2.1
149.02307	2.1
151.00279	10.7
152.01103	5.8
153.01797	1.5
155.10687	1.9
158.03526	0.8
159.04437	2.2
161.02335	3.4
163.00313	5.6
164.00998	1.7
164.98277	1.0
165.01828	4.1
165.98984	7.6
166.99783	6.7
169.01398	0.8
171.04428	2.3
173.06090	1.0
174.03113	1.4
175.00244	0.8
175.03947	1.4
176.01015	1.2
178.99788	12.7
180.00253	1.4
183.04427	1.8
186.03159	0.9
187.03920	4.5
189.01910	2.5
190.02499	1.0
190.99803	0.9
191.03438	0.9
193.01440	1.2
198.03175	1.6
199.03952	5.3
201.01830	2.3
201.05467	1.0
202.02481	1.6
203.03381	3.3
205.01227	1.0
206.99278	2.9
208.00067	2.1
209.00893	1.8
211.03943	2.0
213.01917	1.4
214.02612	3.3
215.03427	5.5
216.04138	2.4
217.01350	1.4
217.05006	1.6
219.02921	0.9
226.02675	2.0
227.03482	7.3
229.01312	1.7
229.05019	1.3
230.02170	1.2
231.02911	4.2
232.03642	1.4
241.01193	0.7
242.02231	6.7
243.02937	10.4
244.03534	1.7
245.04553	2.5
255.02960	10.6
256.03412	1.1
259.02411	4.6
260.03162	2.4
270.01672	8.9
271.02475	46.7
272.03107	9.5
273.04007	5.2
285.03934	0.8
287.01987	16.4
288.02667	12.1
289.03244	2.2
294.94250	0.9
295.60919	0.8
298.01166	2.5
299.01959	37.8
299.76254	0.7
300.02423	7.3
301.03415	2.3
315.01358	4.1
316.02213	73.4
317.02954	36.0
318.03311	4.1
323.07861	1.0
359.04205	0.9
461.06555	0.9
489.11981	2.0
515.07977	1.1
517.11938	0.9
607.12897	2.9
625.14038	100.0
626.14301	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13246	2.2
53.12952	2.5
59.01250	8.4
60.28544	2.2
62.74670	2.5
65.00191	9.4
71.01247	4.2
72.99215	3.1
73.02820	4.1
83.01259	4.9
84.75783	2.2
85.02818	6.0
89.02335	3.7
93.03333	9.7
95.01266	5.2
99.00683	2.9
107.01270	10.3
108.02077	3.9
110.00001	6.9
111.00790	16.5
117.03362	7.5
119.03385	2.7
123.00758	6.6
123.04359	3.7
125.02345	7.9
132.02068	2.9
135.04471	4.3
136.98718	3.1
137.02347	3.9
139.00269	20.3
141.01740	2.7
141.03366	2.9
143.04921	8.9
145.02820	12.0
149.04465	7.0
149.99463	3.5
151.00275	29.3
152.01036	3.7
154.99789	2.4
155.04968	5.9
155.10692	4.8
157.02861	2.9
159.04446	13.6
161.02321	5.2
163.00201	4.8
165.01788	3.5
165.99008	5.0
166.99792	4.6
169.01389	4.8
171.04376	11.8
172.04829	2.3
174.03065	2.9
177.98987	5.7
178.99802	28.1
183.04419	4.6
187.03880	8.8
188.04752	7.0
189.05278	2.9
192.00467	2.5
196.71082	2.8
197.07788	2.6
199.03937	11.4
203.03416	4.4
205.01312	3.2
209.11720	7.1
213.09177	4.7
214.02673	6.0
215.03423	6.9
216.04201	12.7
217.04984	4.0
227.03453	10.5
229.05026	2.5
231.02899	5.1
242.02176	5.4
243.03018	16.2
244.03352	3.3
255.02983	26.4
255.17924	2.6
256.03476	3.4
259.02396	10.0
260.03186	3.1
270.01770	12.3
271.02505	71.4
272.03192	18.4
273.04041	5.2
281.65707	2.7
283.02402	6.3
284.02948	4.6
285.03897	3.7
287.01932	21.5
288.02454	4.7
298.01257	6.4
299.01959	100.0
300.02554	15.6
301.03467	9.6
316.02216	51.1
317.02805	15.4
463.08667	3.7
493.13449	4.9
505.11145	4.0
525.16174	9.3
566.13879	3.0
581.15387	4.2
597.14600	5.5
607.12732	8.5
625.13983	77.6
626.14319	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64356	0.4
53.90159	0.3
55.47226	0.3
56.31870	0.3
65.00195	0.6
70.54276	0.6
70.54638	0.7
85.00092	0.4
94.82552	0.3
107.01273	2.1
109.02856	1.1
121.02822	1.2
125.02345	1.0
133.61754	0.4
136.01550	0.4
137.02328	0.6
142.61336	0.4
143.04961	0.4
149.02299	0.8
149.04462	1.2
151.00272	6.6
163.00299	0.6
165.01770	0.5
169.01381	0.4
170.50513	0.3
171.04393	0.7
175.00273	1.0
175.03928	0.6
177.01826	0.6
178.99768	1.5
179.03419	0.4
185.02597	0.4
187.03957	0.7
187.48866	0.4
189.01910	0.5
193.01370	0.9
199.03911	3.3
201.01907	0.7
203.03464	0.7
211.03902	0.6
213.01822	0.6
215.03418	1.8
216.04207	0.3
226.02611	0.7
227.03471	2.9
242.02313	0.5
243.02946	4.1
244.03505	0.6
255.00581	0.4
255.02922	2.4
271.02466	51.7
272.02829	4.2
273.03934	0.5
297.27832	0.4
299.01950	100.0
300.02585	18.3
301.03510	41.6
302.03897	3.2
313.03549	1.1
325.03394	0.4
343.04556	1.9
462.08026	23.5
463.08768	33.1
464.09167	3.7
505.09821	0.6
614.56769	0.4
625.14069	57.5
626.14423	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	625.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.0
59.01250	63.8
60.01616	0.9
61.98689	2.2
69.03329	2.1
69.41562	1.4
69.41964	6.2
71.01251	25.2
71.04909	1.0
72.99181	2.8
73.02821	8.5
73.09525	0.9
73.38299	0.8
75.00727	2.2
81.03342	1.3
83.01287	4.1
85.02822	11.0
87.00766	4.4
87.04409	3.3
87.29013	0.8
88.98670	1.7
89.02319	11.5
95.01266	3.9
97.02840	2.2
99.00749	2.3
101.02323	15.0
102.70061	0.8
111.00788	2.3
113.02334	17.1
117.16478	0.9
119.03381	4.1
125.02348	4.3
135.02884	1.0
135.04399	1.1
143.03423	2.5
151.00241	1.2
151.03944	1.2
153.09077	0.9
161.02367	0.9
161.04488	3.6
167.10608	1.1
173.04433	1.0
182.91255	1.0
187.13292	2.7
191.05501	1.8
201.14861	1.1
211.04106	0.9
213.14897	1.0
217.14314	1.0
221.67575	0.9
271.02390	2.6
299.01929	1.5
300.02643	1.7
301.03229	2.0
302.03937	0.9
316.02237	1.0
359.28128	4.1
375.27557	2.0
377.29077	14.1
378.29501	2.0
463.07175	1.7
505.20746	1.2
521.33276	100.0
522.33594	16.0
539.34271	24.3
540.34564	3.3
581.35498	9.3
582.35620	1.3
617.70172	0.9
625.14825	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	625.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97506	1.6
57.03321	6.7
59.01250	49.9
61.98700	2.0
63.66117	1.4
69.95786	1.6
70.34570	5.7
71.01247	21.4
72.99171	2.9
73.02804	4.9
82.76421	1.6
83.01246	2.2
85.02815	9.9
87.04384	3.5
89.02322	11.6
92.94128	1.7
95.01254	3.5
101.02328	11.0
113.02351	15.7
117.49403	1.5
119.03369	4.6
125.02293	2.7
129.62323	1.6
141.61073	1.6
144.12474	1.6
145.12814	1.8
151.00294	2.6
155.10570	2.2
161.02365	3.9
161.04520	3.1
173.11748	2.7
177.01563	1.5
187.13249	2.8
232.49390	1.8
243.02911	3.9
244.03387	3.6
245.03487	2.5
246.66205	1.8
255.02930	3.2
256.03372	3.1
257.04398	5.3
270.01889	1.7
271.02405	13.7
272.02966	7.8
273.02969	7.0
299.02017	12.2
300.02524	15.8
301.02835	18.9
302.03265	5.1
314.04303	4.8
315.05011	15.7
316.01990	2.6
316.05173	17.1
317.05695	11.7
359.27972	3.2
377.29068	10.0
521.33301	100.0
522.33569	19.3
539.34406	20.7
540.34613	4.0
581.35333	12.3
582.35284	2.1
625.16699	35.2
626.16876	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	625.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66620	1.6
55.01744	1.8
57.03333	3.4
59.00954	3.0
59.01253	61.5
60.99179	2.2
61.96383	1.4
61.98706	34.1
65.00196	1.6
69.03324	3.3
71.01252	21.4
71.52686	2.1
72.99200	3.1
73.02818	6.7
81.03329	10.4
81.12772	1.6
82.03683	2.7
83.01266	5.8
85.02835	9.7
87.00759	3.1
88.98683	15.0
89.02323	8.0
90.98478	1.7
93.03358	4.8
97.02853	1.8
99.00775	2.5
101.02312	11.7
107.01287	3.5
109.02865	7.9
113.02332	11.6
119.03408	2.9
119.04908	4.2
121.02846	4.8
122.03626	6.0
125.02370	21.3
126.02678	4.1
127.02778	1.5
135.04413	5.6
137.02338	5.3
143.03386	2.5
149.02333	2.8
149.05972	4.7
150.02969	1.5
151.00296	5.9
151.03998	1.9
155.10695	19.4
161.02385	3.6
161.04439	1.9
163.03967	2.6
163.82076	1.6
165.01843	2.1
167.03293	2.0
169.06625	2.1
171.08017	4.6
173.04509	2.6
173.05968	4.4
174.06323	2.4
177.05463	7.0
178.99861	2.6
179.03381	2.8
185.92284	1.9
191.05479	4.2
199.09747	7.7
203.03525	2.0
213.09151	30.2
214.09454	21.1
215.09749	11.1
221.04428	3.6
232.43724	1.6
238.89952	1.8
240.07379	2.4
257.08176	100.0
258.08511	82.1
259.08762	59.4
260.09070	3.9
271.02551	3.8
275.05579	1.7
281.08148	13.4
282.08572	11.2
283.08664	9.0
285.12421	2.0
299.09216	4.6
300.02744	6.1
300.09671	3.7
301.03519	50.0
301.09705	3.7
302.03851	5.0
361.29517	2.8
404.84085	1.7
420.14139	3.2
421.14050	7.4
461.14594	10.7
462.14740	15.2
463.08740	3.8
463.15100	36.5
464.15308	4.5
479.17789	2.1
493.17365	11.9
494.17435	2.8
505.33896	19.2
506.34335	1.8
521.32776	12.2
523.27185	2.9
523.34875	5.2
528.58514	2.2
539.33765	3.5
565.35950	3.4
581.34711	3.6
625.11987	5.5
625.21576	5.3
625.31628	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	625.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11415	1.3
52.46912	1.3
55.01757	2.6
57.03328	3.9
58.00463	2.1
59.01251	100.0
60.01582	3.3
60.99169	4.1
61.98703	41.2
67.19679	1.5
69.03315	7.2
70.54730	5.0
71.00858	1.5
71.01256	30.1
72.99189	8.3
73.02821	9.4
73.54139	1.2
75.00745	2.4
83.01257	5.9
83.04920	1.8
85.02829	15.5
87.00757	8.0
87.04358	1.6
88.98685	27.2
89.02329	14.1
89.10835	1.3
91.00240	2.0
93.03358	1.4
95.01276	3.5
96.95892	2.9
97.02818	4.1
99.00742	4.0
101.02328	19.2
109.02852	5.5
111.00796	1.9
113.02332	19.5
119.03409	4.9
119.04873	1.3
123.04362	2.1
125.02350	8.9
135.04413	5.5
137.02322	5.2
143.03395	2.4
145.02933	1.5
147.72180	1.3
148.03876	1.3
149.04472	1.9
150.03041	2.1
151.00319	1.5
151.03922	2.2
155.03511	1.5
155.10701	8.5
157.86183	1.9
161.02332	4.0
161.04468	4.3
164.04636	1.9
165.01855	3.2
165.05428	1.7
173.04462	3.5
187.03694	1.5
189.05544	3.3
191.05525	3.5
199.09726	5.4
214.10649	1.7
231.06535	1.7
241.04953	2.2
260.06631	1.9
271.02325	4.2
299.01651	1.5
300.02441	3.3
301.03348	4.2
361.29593	4.0
371.24112	2.4
375.27750	1.7
376.27789	1.7
377.28506	2.3
390.56140	1.4
407.07648	1.6
408.87946	1.4
411.24762	1.5
458.23755	1.9
493.17337	1.5
505.33777	35.4
506.34271	4.8
521.32941	10.1
522.33466	2.2
523.26965	2.7
523.34918	5.9
531.26459	5.7
539.34302	2.4
562.65222	1.8
563.12030	2.6
565.36047	2.5
590.62714	1.6
604.29401	4.4
625.13043	3.1
625.22406	2.2
626.28687	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.0
61.98693	10.5
69.03277	1.9
69.37975	2.8
69.38387	9.6
71.01258	9.2
72.99216	1.6
73.02830	4.1
74.85319	1.5
75.61035	1.4
83.01248	1.6
83.64499	1.3
85.02821	3.9
88.78111	1.3
88.98695	1.4
89.02330	4.4
98.19868	3.3
101.02327	4.5
111.00742	1.7
113.02333	3.2
122.74352	1.5
125.02328	1.7
127.00409	1.5
139.00233	2.3
151.00325	2.1
153.01781	1.9
161.52892	1.3
178.99796	2.2
189.82796	1.4
191.03629	1.6
191.05431	2.0
194.00856	4.6
195.01158	2.3
203.03690	1.4
243.02933	6.9
255.03000	15.0
257.81204	1.5
270.99768	2.4
271.02478	28.1
272.03012	3.5
299.01990	11.3
300.02734	68.8
301.03180	6.9
314.04263	6.0
315.05090	100.0
316.05371	8.6
317.03046	2.0
361.02283	1.7
377.29318	2.6
426.40070	1.6
434.18439	1.5
439.11053	1.6
463.08463	1.6
510.18240	1.7
519.11481	12.2
521.33081	18.6
522.33221	6.6
530.01306	1.8
539.34253	4.9
540.34521	2.7
581.35608	4.2
589.03845	1.5
628.05005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89191	0.2
57.50039	0.2
59.01251	3.8
61.98702	100.0
71.01250	1.4
73.02824	0.6
85.02835	0.5
89.02326	0.5
101.02335	0.5
113.02321	0.9
125.02339	0.4
139.75638	0.2
151.03917	0.2
169.99139	0.2
173.04439	0.3
191.05537	0.3
203.01849	0.2
207.72931	0.2
226.05965	0.2
240.07869	0.2
241.08148	0.5
242.08546	0.2
255.10172	0.5
256.10699	0.5
257.10837	0.4
260.79483	0.2
309.08902	0.2
420.21017	0.3
421.21591	0.3
531.93085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05939	1.0
57.03324	2.8
59.01249	8.0
61.33355	1.0
61.98693	3.7
67.01755	4.1
69.03328	2.0
71.01258	4.3
72.99191	1.1
73.02829	1.5
75.00746	2.1
81.03326	3.4
83.01255	3.4
84.31418	1.1
85.02824	4.9
87.00758	2.1
88.98689	3.8
89.02303	2.6
93.03340	18.4
95.04889	1.2
97.02859	2.0
98.49525	1.0
99.04406	2.3
101.02301	1.6
107.01281	1.4
109.02839	3.6
111.00762	2.1
111.04370	3.3
113.02314	2.4
121.02831	2.0
122.93280	1.2
125.02335	19.3
131.87906	1.1
133.02789	1.3
137.02336	22.7
139.03883	1.8
147.04382	1.3
151.00276	3.1
151.03925	2.0
155.03398	5.0
157.06538	1.6
159.04424	1.3
163.00264	1.8
163.23946	1.3
164.01073	1.8
165.01843	14.6
167.03418	23.0
168.03766	1.4
169.06531	2.3
171.04498	1.1
172.05225	2.1
173.04478	38.1
173.05940	3.6
183.04524	1.2
185.05981	3.2
187.03891	1.4
187.07558	3.6
191.05536	10.8
196.05173	2.1
197.05995	16.9
199.03989	6.3
199.07368	1.5
200.04713	1.9
201.05482	4.2
209.06049	1.9
209.79628	1.0
211.62251	1.2
212.04614	1.5
213.05527	8.0
214.02539	1.8
214.06239	4.7
215.03534	3.2
215.07072	47.0
216.07407	2.0
217.05031	15.5
224.04736	2.2
225.05518	21.2
226.05861	2.1
227.03474	11.8
227.06924	2.3
228.04257	6.1
229.04884	2.5
235.03935	1.2
237.05582	3.0
241.05034	17.7
242.05544	2.7
243.06595	65.0
244.06934	5.4
251.03549	2.0
251.07117	2.3
253.05043	3.8
254.05734	1.8
255.03026	2.3
255.06595	7.2
259.06027	6.3
263.07117	1.3
265.05090	2.7
269.04593	3.1
271.03345	1.7
271.06021	10.3
272.06345	1.2
275.07306	1.4
277.08643	2.6
279.06717	1.5
281.07953	3.0
283.06168	6.0
287.05609	26.6
288.05981	2.1
295.09818	2.3
297.04010	1.9
297.07797	1.4
303.06622	1.6
304.07303	1.9
305.08047	4.7
307.05994	1.4
315.01349	1.9
315.05057	37.6
316.05380	3.5
319.09805	2.4
323.09149	4.9
327.05063	5.2
331.06055	1.1
345.07706	1.7
347.09177	5.0
349.07074	3.3
363.08716	3.2
365.10367	1.5
367.08130	5.0
373.07126	2.6
391.08295	12.9
409.09271	36.1
410.09607	2.2
417.06030	2.0
421.09119	8.1
435.07205	13.9
453.08261	100.0
454.08633	15.8
487.18686	1.4
489.10458	7.1
522.33508	4.8
523.34149	1.5
557.91522	1.2
627.13477	19.6
628.13934	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	627.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.6
60.99180	0.9
61.98704	6.0
71.01255	6.0
71.04896	15.1
71.52677	1.0
72.99178	1.1
73.02814	1.6
74.02361	0.9
75.00764	1.1
75.22908	0.8
81.03326	0.8
83.01263	2.6
84.72469	0.7
85.02832	2.9
87.00748	1.1
88.98685	7.6
89.02327	4.9
93.03331	1.9
95.04910	3.3
96.95885	1.3
97.02842	6.8
99.00826	1.2
101.02318	3.7
109.02857	4.1
113.02353	2.6
115.03873	0.8
117.03350	16.6
119.03404	0.9
119.04914	16.9
121.02904	3.5
121.03670	0.7
125.02341	2.6
131.03421	0.8
135.04463	1.7
137.02382	5.7
139.03911	96.9
140.02870	0.7
140.04245	3.3
141.01884	0.9
145.02858	89.4
146.03175	3.7
151.00298	0.9
153.01866	1.8
155.10670	1.4
159.03152	0.6
159.04404	1.2
161.02467	1.3
162.43738	0.8
163.03922	16.5
164.04233	1.5
165.01845	24.2
167.03439	1.6
173.04460	2.4
179.03444	1.4
183.02905	12.0
187.04002	1.1
190.10596	0.7
191.05566	2.9
237.32951	0.8
271.02338	1.2
293.09006	1.9
300.02960	0.9
301.03152	0.8
307.08267	13.9
308.08585	1.5
315.05176	1.0
409.09280	1.1
429.83118	0.8
447.12933	5.7
448.13870	0.9
453.07925	1.4
473.10913	16.2
474.10846	1.5
491.11954	100.0
492.12344	13.6
506.34058	0.8
522.33661	3.1
627.13043	1.5
627.28674	1.0
648.97931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30030	1.1
57.03320	4.9
58.05976	1.4
59.01255	23.7
61.98701	6.4
67.01759	2.9
69.03331	3.2
71.01254	13.5
71.52208	1.8
72.20992	1.1
72.99199	1.6
73.02824	3.2
80.96403	1.8
81.03344	3.1
83.01259	4.3
83.04887	1.5
85.02820	5.7
87.00753	3.1
88.98673	10.8
89.02320	5.4
93.03336	17.5
95.04950	1.6
96.95914	1.4
97.02837	2.3
99.04389	2.2
101.02329	5.1
104.10363	1.3
107.04910	1.3
108.02074	1.4
109.02852	4.9
111.00772	2.0
111.04414	4.5
113.02341	4.6
121.02863	3.0
123.04401	1.7
125.02325	16.9
135.04378	1.6
137.02344	19.9
139.03867	1.6
149.02359	1.8
151.03874	2.5
152.88622	1.4
155.03416	3.5
161.02209	2.6
161.04446	2.0
163.03996	1.5
165.01855	15.9
167.03427	18.6
173.04482	41.1
173.05940	2.8
174.01688	6.4
174.02995	1.4
174.04761	2.5
177.01758	2.3
179.03349	1.6
181.05051	1.6
185.06021	2.0
187.07605	1.9
191.05536	10.9
196.05254	1.6
197.06007	13.0
198.03146	2.0
198.06367	1.4
199.03947	4.4
201.05615	3.1
211.03981	2.0
213.05539	5.9
214.06284	3.2
215.03633	2.0
215.07097	37.8
216.07469	1.6
217.05042	12.6
224.04733	2.1
225.05565	17.6
227.03482	9.7
228.04213	6.3
229.01369	1.7
229.05096	2.1
237.05666	2.3
241.05009	10.5
243.06604	58.7
243.10321	3.4
244.07039	4.4
253.05049	1.8
255.02797	2.3
255.06619	5.7
259.05927	2.4
259.09760	1.6
260.09857	1.9
265.05057	5.2
269.04559	2.2
271.02939	1.2
271.06137	7.6
279.06540	2.5
283.05972	2.5
285.04117	1.4
287.05576	20.1
293.08704	3.3
300.02600	2.5
305.08118	4.6
307.06070	1.6
315.05121	29.0
316.05301	2.2
319.09848	1.9
321.07581	2.1
323.09219	5.2
327.05170	6.0
331.06439	1.7
337.10660	2.3
347.09155	2.6
349.06985	2.1
363.08722	1.8
367.08151	3.1
373.07101	1.9
378.29523	1.6
391.08163	9.9
409.09344	28.7
410.09521	4.9
435.07114	12.6
453.08261	100.0
454.08624	11.6
489.09970	6.4
521.33276	3.4
522.33789	15.1
523.33820	7.9
540.34900	3.0
541.34424	2.0
627.13611	23.6
627.26898	4.1
628.14075	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.94892	0.3
71.00806	0.5
71.01144	0.4
72.51508	0.3
73.02888	0.9
76.36182	0.3
81.20999	0.4
85.42493	0.3
87.83209	0.3
94.95644	0.3
120.69688	0.3
145.02927	0.3
189.17282	0.3
245.76772	0.3
437.12665	1.4
438.13132	1.8
449.06082	0.4
451.14066	1.0
452.14923	4.6
453.15155	1.2
465.15976	0.7
466.16660	0.5
467.13202	0.3
469.11182	0.4
480.14087	0.7
481.15140	9.1
482.15225	1.9
484.14084	0.6
493.15048	1.4
494.15430	0.7
495.16797	17.5
496.17075	4.5
507.20264	0.7
508.18054	3.0
509.18323	2.3
512.13403	0.9
521.14948	1.1
522.15057	0.5
523.15179	0.7
523.20087	1.0
525.14392	0.4
526.14929	1.3
533.18268	0.5
535.16162	2.4
536.16931	3.0
539.15564	0.6
540.16888	3.6
541.16602	0.7
551.19373	44.3
552.19598	11.1
554.17603	1.0
555.18793	1.4
567.19250	0.7
568.16913	1.0
572.15491	3.1
573.15961	0.6
586.16895	2.5
587.17163	0.6
595.11096	0.2
595.18353	10.0
596.18555	3.0
627.20929	100.0
628.21222	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95391	1.3
55.02244	1.1
57.03319	3.1
58.52581	1.2
59.01255	47.4
61.98692	7.1
65.03808	1.5
67.01733	1.9
71.00748	2.6
71.01258	29.7
72.99183	1.3
73.02819	5.2
75.00748	2.3
81.03340	2.6
83.01263	2.9
85.02826	13.3
87.00742	6.9
89.02320	18.0
91.05438	1.4
93.03333	2.7
95.01266	3.0
97.02838	2.7
99.00763	2.1
101.02328	12.3
107.04915	5.1
108.02074	9.5
109.02840	27.5
111.00786	3.2
113.02332	11.3
119.03375	7.6
121.02808	1.5
121.06559	1.7
125.02326	4.8
129.01839	2.3
129.07031	1.7
133.02789	1.7
133.06477	1.4
134.84555	1.4
137.02348	4.4
143.03413	2.5
149.02486	1.5
151.00346	1.8
151.03920	24.9
153.07022	1.6
155.08566	6.8
157.06525	5.8
159.02928	2.8
159.08073	4.6
159.48335	1.5
161.02335	1.7
161.04465	10.1
163.07574	1.9
165.01807	2.3
165.05397	1.7
165.60721	1.4
167.03488	1.6
171.08107	3.9
173.04488	3.7
173.09636	3.5
179.05557	5.3
179.07002	1.6
181.06508	4.8
183.06569	5.3
191.05664	6.4
193.05090	1.2
197.05920	2.9
199.07570	14.2
200.07919	1.3
203.07092	16.5
211.03995	1.6
214.58569	1.3
215.07083	1.9
217.04938	1.5
217.08664	5.9
231.10236	20.8
233.09660	2.2
241.04893	1.7
243.06613	5.0
255.02786	1.9
269.11780	2.4
271.02490	3.1
271.06079	1.3
272.02872	1.8
275.09277	29.8
276.09534	2.2
277.08603	3.1
289.07300	1.6
293.11819	5.9
295.09833	2.5
296.10474	1.6
297.30713	1.3
300.02676	4.0
301.03140	5.4
302.03680	3.3
311.12894	5.4
313.09317	2.2
315.05185	2.7
317.02820	2.2
318.02994	1.5
321.07614	4.2
337.10840	9.8
345.12082	2.4
351.12360	3.8
353.10498	8.0
355.07455	2.3
355.11871	51.4
356.12280	7.2
369.13431	100.0
370.13821	12.3
387.14633	8.4
405.15613	3.8
421.18506	2.7
422.19006	6.1
423.19382	6.2
453.08475	5.9
517.17181	2.1
549.19788	3.5
567.20740	5.3
583.31226	1.7
622.19635	1.3
627.13922	15.6
628.14313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21543	0.6
59.01243	3.3
61.98691	2.0
64.41534	0.6
65.00197	0.8
67.01750	2.1
67.65320	0.6
68.99694	0.8
69.03318	2.0
71.01249	5.3
71.04886	7.5
71.52973	0.8
73.02808	3.1
73.44870	0.6
78.81434	0.6
78.91788	0.6
81.03314	2.4
83.01257	3.5
83.42987	0.7
85.02821	3.7
87.00748	0.7
89.02326	1.1
89.95229	0.7
91.01756	2.8
93.03332	1.1
95.01233	3.2
95.04893	3.7
96.95892	1.0
97.02821	7.2
99.00755	2.1
101.02314	6.2
107.01272	2.8
108.02065	7.3
109.02143	1.1
109.02837	16.4
110.03222	0.6
111.00745	2.2
113.02340	4.7
115.03893	1.0
121.02861	1.7
123.00765	6.6
123.04414	17.4
124.01545	0.8
125.02354	5.5
135.04428	1.0
137.02345	6.2
138.03088	1.8
139.03908	64.9
140.04251	2.5
149.02287	0.9
149.06000	0.7
150.03116	1.8
151.00279	24.8
151.03827	1.6
152.01064	13.3
153.01837	25.7
153.05453	2.3
154.02258	1.0
161.04503	0.7
161.05913	0.7
163.03883	2.7
164.01106	1.1
165.01849	20.3
165.05460	0.8
166.02644	3.9
167.03409	48.0
168.03741	1.8
173.04501	0.7
177.05547	0.9
179.03419	2.7
181.04977	1.2
183.02907	11.9
184.03136	0.6
191.05568	1.0
193.04903	0.9
194.05617	0.7
197.04488	1.7
205.04903	1.1
252.06572	1.0
283.08276	1.2
285.64334	0.7
296.05368	25.6
297.06137	21.9
298.06506	1.8
311.07712	40.6
312.08054	2.8
334.49155	0.7
335.94556	0.6
383.20618	1.1
451.12418	15.1
451.18280	1.2
452.12515	2.0
460.55161	0.6
463.08478	0.8
469.07617	1.4
477.10400	15.1
478.10596	2.1
481.15134	1.0
495.11444	100.0
496.11847	10.0
593.93823	0.6
654.61334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	7.0
59.01248	14.5
60.23713	1.3
61.89487	1.4
61.98432	1.6
61.98706	24.9
67.01791	1.6
69.03310	2.5
71.01239	8.1
71.53741	2.1
73.02788	4.4
75.00722	2.3
79.77804	1.9
81.03321	2.1
83.01256	3.3
85.02808	2.6
87.00732	3.1
88.98660	1.5
89.02299	1.4
93.03345	3.3
93.70621	1.6
95.04865	1.8
96.95913	9.0
99.04420	3.0
101.02328	4.2
107.04865	2.1
108.02052	2.8
109.02242	1.6
109.02832	16.1
111.46782	1.5
113.02317	3.1
119.03397	2.3
121.02856	2.6
123.04414	9.1
124.01537	6.5
125.01463	2.0
125.02345	38.7
126.02615	2.3
127.37708	1.6
133.02859	2.1
133.06454	2.9
135.04391	4.5
137.02376	7.5
139.03911	1.9
145.02760	1.7
149.02367	8.4
150.03168	10.7
151.00275	2.0
151.03801	5.6
153.01761	1.8
159.04420	2.9
161.02365	4.1
161.04459	2.3
161.05875	2.0
162.03081	2.6
163.00299	7.3
163.03824	3.4
164.01083	12.1
165.01794	2.6
173.04556	3.4
173.05968	4.2
174.01642	1.8
175.03882	5.2
177.01860	9.0
177.09212	1.5
179.03441	2.0
183.36125	1.5
185.00771	3.1
185.05959	2.6
187.03888	3.1
188.04774	2.8
189.05473	1.8
190.02530	2.0
191.05467	3.5
193.98515	1.4
194.57098	1.6
199.03889	2.7
199.09560	1.8
201.01752	1.9
201.05528	4.6
203.03416	4.1
205.04897	1.6
213.05533	3.0
214.02592	3.2
215.03482	3.3
217.04893	3.5
218.30656	1.5
223.07623	2.1
225.58517	1.8
228.04181	1.5
229.05035	7.8
230.02228	2.0
230.05688	1.7
231.06502	1.8
235.71039	1.6
241.04993	3.7
243.02896	7.0
244.03618	2.7
245.04424	2.0
253.04976	2.0
254.05748	2.1
255.06520	1.9
257.04581	10.0
258.05170	2.0
269.04517	2.6
285.04111	1.6
289.07312	2.0
295.06122	2.3
296.03055	2.2
309.03955	3.4
311.05511	4.2
313.07239	2.0
334.05078	1.9
335.05637	2.8
349.07178	2.9
361.07126	6.6
383.20587	3.4
435.14264	3.5
436.87894	1.9
451.13669	2.4
475.14352	2.3
479.13211	8.4
481.15021	21.7
482.15237	2.9
493.14929	2.3
505.15152	7.6
507.12692	3.9
508.13666	25.3
509.14536	18.0
521.14398	2.3
525.15631	4.1
567.16553	2.9
585.17676	12.3
587.19507	10.0
613.16870	12.7
614.17621	1.8
631.18152	100.0
632.18451	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03312	2.3
59.01253	14.5
61.98683	2.5
68.99677	0.8
69.03341	1.3
71.01259	14.0
71.52583	0.9
72.99168	4.0
73.02812	4.7
75.00739	6.9
83.01265	1.8
83.04900	2.4
85.02824	10.3
87.00743	4.6
88.98676	0.9
89.02298	3.2
95.01250	2.3
96.95876	0.8
97.02819	1.5
99.00757	7.9
101.02312	1.8
103.00239	1.5
107.72666	0.7
109.02772	0.7
113.02328	9.8
115.00242	1.5
122.02347	2.4
125.02367	1.1
135.04329	0.7
135.08060	3.4
137.02359	1.0
137.09625	12.4
145.04907	0.9
155.10698	85.3
156.10992	4.3
157.01344	0.9
175.02425	3.9
181.08609	1.5
181.66537	0.8
193.03331	0.8
199.09695	13.2
273.13235	1.7
289.07227	0.9
340.21255	1.0
387.16580	1.0
431.15430	1.9
449.16422	0.7
455.22882	10.1
456.23193	0.8
527.32208	2.0
545.33002	1.3
569.25897	2.1
613.24640	2.4
631.26068	100.0
632.26361	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	633.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46900	2.1
57.03315	2.8
59.01251	20.6
66.61243	1.9
68.99673	2.4
69.03332	3.7
71.01252	12.7
71.52121	3.1
73.02821	10.3
79.05421	1.7
80.67110	1.9
81.03334	1.9
83.01262	5.5
85.02830	5.2
87.04408	2.5
88.58660	1.7
89.02311	6.4
91.88556	1.8
93.03312	3.5
95.04878	2.1
95.72455	1.8
96.95885	1.9
97.02836	4.9
99.04404	2.3
101.02328	9.2
109.02821	10.9
113.02344	4.8
113.69836	1.7
116.92716	3.7
121.02845	5.1
122.03640	8.7
123.04404	14.6
125.02328	5.4
129.01808	3.6
133.10178	2.3
135.04430	3.8
135.11685	8.7
135.71638	1.7
137.02338	20.5
137.09563	3.3
139.03912	2.6
145.49300	1.8
147.04411	3.1
149.02338	6.4
151.03899	3.2
155.10699	21.5
157.01277	4.4
159.04382	4.3
159.08014	3.0
159.11668	3.0
161.02345	5.4
161.05965	8.7
161.09647	10.1
162.03003	2.8
164.01070	4.0
165.01828	28.1
165.05371	2.4
173.04497	5.4
175.03926	2.0
179.03441	4.3
179.10701	36.0
184.25116	1.9
187.03925	5.0
191.05519	2.5
199.03918	3.1
199.09689	21.2
202.06093	2.1
202.58237	1.9
203.03485	3.8
203.07068	7.6
203.10684	5.8
205.05061	10.7
205.08624	2.4
221.08141	2.5
223.09702	51.2
224.10057	3.9
229.05011	2.2
244.07587	2.3
247.06255	2.9
289.07101	3.6
289.92001	2.1
385.15311	4.9
385.22241	8.3
427.16162	12.5
587.18915	5.2
633.19727	100.0
634.20306	21.2
651.49420	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03317	1.7
59.00999	2.4
59.01250	27.9
61.98703	2.2
68.99667	3.7
69.03306	3.6
69.60539	4.6
69.60948	4.6
71.01252	14.6
72.99190	2.1
73.02808	12.6
75.08102	1.5
82.78342	1.4
83.01235	6.4
83.04903	2.0
85.02792	5.8
87.04395	1.9
89.02307	6.9
93.03352	3.0
95.01275	2.5
95.04856	2.7
96.95869	7.1
97.02812	5.4
97.06491	1.7
99.04408	2.2
101.02323	13.8
108.02029	1.8
109.02830	10.1
109.06433	1.9
113.02312	6.6
116.92776	13.5
119.03378	3.8
121.02827	5.3
122.03605	6.4
123.04413	12.3
124.01578	2.6
124.98675	3.8
125.02325	5.1
129.01799	2.5
133.06485	1.5
133.10115	1.6
135.04395	6.0
135.11676	8.4
137.02351	20.7
137.09576	3.4
139.03938	2.5
140.28294	1.6
143.03458	2.2
146.03690	1.6
149.02322	6.6
151.03882	2.6
154.02699	2.1
155.10689	30.6
157.01353	5.1
159.08009	2.4
159.11644	2.4
161.02307	2.6
161.04501	1.9
161.05952	4.3
161.09630	17.3
163.00056	1.8
164.01027	5.9
165.01839	24.5
165.05486	2.5
173.04390	4.8
175.03838	2.3
177.05528	1.8
179.03380	4.2
179.10681	46.5
180.14799	1.6
187.03883	2.1
187.07474	2.4
188.04663	2.4
191.05576	3.8
199.03984	1.7
199.09692	44.1
200.10019	2.3
201.05412	1.9
203.03415	3.5
203.07072	5.1
203.10686	6.6
205.05009	8.2
205.08514	2.6
221.11702	2.7
223.09705	77.8
224.10063	2.4
229.04796	2.0
241.10719	1.7
244.07372	3.0
245.04538	1.9
247.06026	4.4
265.10767	4.4
285.03979	1.9
288.06436	1.9
289.07083	3.1
309.07663	2.2
325.12830	2.2
353.08768	2.1
357.97275	1.8
385.14975	11.7
385.22263	13.9
427.16135	24.9
428.16193	4.2
453.15417	1.8
529.65668	1.7
576.50287	1.7
587.18921	4.7
633.19678	100.0
634.20178	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	633.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
58.00472	1.2
59.01249	25.0
61.98694	1.5
65.00198	1.6
67.01756	1.6
68.99698	2.4
69.03336	2.5
71.01252	15.6
71.52242	1.7
71.97698	1.2
72.99195	3.1
73.02825	10.9
81.03329	2.3
83.01266	8.8
83.02359	1.4
85.02827	5.1
87.00767	1.9
89.02309	7.1
89.67911	1.2
90.03505	1.1
93.03342	3.0
95.01255	1.7
95.04929	1.2
96.95901	4.8
97.02815	6.6
97.06480	2.0
97.11049	1.1
97.46185	1.2
99.04408	2.7
101.02325	11.2
107.04892	1.7
109.02847	11.6
109.06489	2.4
111.04381	1.3
113.02335	8.1
116.87573	1.2
116.92766	8.8
119.03402	2.9
120.05711	1.7
121.02852	4.7
122.03611	5.8
123.04427	11.9
124.01535	2.2
124.98670	2.4
125.02323	7.9
125.05953	1.9
129.01855	3.2
131.03387	2.0
132.05634	1.7
133.10117	2.0
135.04466	6.8
135.08025	1.9
135.11713	7.9
137.02359	18.3
137.09592	3.2
139.03925	2.5
143.03419	2.8
145.06570	1.3
146.03656	1.8
149.02356	5.6
150.03122	1.4
151.03951	2.3
154.02681	1.7
155.10683	26.7
157.01343	3.1
159.04436	3.1
159.08101	3.6
161.02353	3.6
161.04562	1.6
161.06018	4.7
161.09637	12.6
162.03094	1.3
163.03944	2.1
163.07530	2.0
164.01025	5.4
165.01859	20.7
173.04480	4.1
175.04007	1.7
175.07559	1.9
177.05473	1.7
179.03464	6.3
179.10713	44.8
180.11041	2.9
185.00919	4.6
187.03922	3.2
188.04727	1.7
191.05493	2.7
193.12250	1.9
199.03981	1.8
199.09702	32.3
201.05505	4.1
202.06207	2.3
203.03424	3.9
203.07072	7.2
203.10704	7.4
205.05017	9.8
205.08710	2.4
217.05003	1.4
221.11803	4.8
223.09720	71.9
224.10059	5.2
229.05002	2.1
244.07388	2.5
245.04553	1.7
247.06161	2.5
265.10803	3.2
289.07233	3.2
289.10397	1.5
353.08875	3.5
367.21298	2.5
385.15039	10.0
385.22339	9.7
427.16089	19.6
428.16284	3.5
482.15137	1.8
543.19989	2.1
587.19324	4.3
588.19873	2.0
633.19751	100.0
634.20093	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	633.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49914	1.6
57.03324	57.6
58.00469	1.8
59.01248	32.5
69.03332	4.2
69.56330	9.8
71.01248	10.5
73.02810	15.7
74.51152	1.8
75.00739	2.1
75.50192	1.5
81.03308	2.5
83.01254	4.8
83.04887	4.8
85.02825	67.7
87.04384	3.2
89.02321	2.7
93.03333	2.2
95.04904	2.0
95.70177	1.7
96.95889	6.0
97.02847	2.5
97.06454	6.8
99.04395	18.0
99.08007	2.9
101.02337	9.9
106.69304	1.6
107.08524	1.7
109.02821	5.7
109.06467	28.4
111.04405	2.0
111.08011	6.7
113.02328	3.9
113.05944	1.8
121.06491	4.8
123.04428	14.3
123.08022	2.6
125.02317	6.5
125.05965	1.8
125.09584	15.2
125.98506	1.7
127.07523	6.5
135.04402	3.1
135.08041	4.0
137.02357	6.1
137.09581	10.6
139.07544	6.3
151.03886	2.2
151.07559	5.3
151.11183	6.6
153.09129	9.7
155.10712	9.1
161.04439	2.0
163.07518	2.2
165.01898	2.7
167.10645	3.5
169.08609	100.0
170.08965	4.7
179.03307	2.3
179.10727	11.2
193.08627	13.4
197.11784	50.7
198.12048	4.8
203.07042	2.4
205.04900	3.3
211.09712	4.6
215.12846	51.0
216.13228	4.0
223.09595	3.4
245.08160	4.9
289.07144	24.5
327.18146	9.8
385.22314	59.2
386.22610	6.7
409.22064	2.5
448.21768	1.7
633.20972	7.5
634.21863	2.4
651.89478	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.8
59.01252	30.5
69.03336	1.8
71.01257	12.4
71.02824	3.1
71.04884	2.3
71.88350	1.4
72.02039	1.9
73.02818	49.6
79.05441	1.5
81.03314	1.5
83.01262	2.4
83.04881	1.6
85.02815	3.8
87.04377	4.5
89.02328	3.8
93.03322	1.9
95.04906	2.2
96.82802	1.5
96.95880	10.4
97.06461	4.0
99.04392	4.4
99.08028	1.5
101.02322	10.6
101.05969	20.2
109.02846	1.7
109.06464	4.8
111.04382	2.4
111.08037	2.5
113.02310	4.1
113.05997	1.7
118.75612	1.6
123.04416	1.9
123.08009	1.8
125.02329	1.9
125.05997	8.6
127.07533	3.1
135.07988	2.0
137.09622	5.8
138.06775	2.3
139.11191	8.9
141.09094	2.0
153.09097	7.7
155.10654	3.4
165.09058	1.5
165.12720	2.2
168.11423	4.2
169.12234	3.9
179.10686	2.7
181.12299	2.1
182.09496	2.2
183.10191	3.2
183.13853	16.4
184.14153	1.7
187.09566	1.4
191.10652	1.7
191.14374	1.4
192.16634	1.3
193.12299	3.1
209.15382	7.1
223.09726	4.9
223.48080	1.4
235.16992	2.8
244.75499	1.5
247.17030	2.7
247.20595	5.3
249.18611	1.8
251.12929	3.1
275.20178	28.1
276.20493	3.1
277.14313	2.6
289.07126	1.6
309.17004	4.5
311.21967	1.8
327.18115	58.5
328.18359	5.6
351.18216	1.7
355.21295	36.9
356.21518	3.3
367.21085	3.6
379.21326	6.8
385.22305	100.0
386.22568	11.3
427.15836	2.3
451.23868	1.7
502.60373	1.4
607.06879	1.5
633.19635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36651	0.6
58.43726	0.6
59.01254	100.0
60.01614	0.8
60.69875	0.6
61.98715	1.0
70.71961	0.8
78.56520	0.5
112.35272	0.5
152.99577	0.9
153.52649	0.6
157.06203	0.6
223.13356	6.2
293.21359	4.5
294.21567	0.8
540.34515	0.6
634.38489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
65.49474	0.3
70.76844	0.7
85.95906	0.3
90.87803	0.3
92.13714	0.3
107.01271	1.2
109.81122	0.3
115.62371	0.3
132.02084	1.1
135.00780	1.1
151.00279	2.3
163.00359	0.3
178.99834	1.2
183.04427	1.1
185.02464	0.6
187.03961	0.5
199.03900	0.9
200.04762	0.4
211.03949	1.7
227.03458	40.4
228.03874	2.8
229.04955	0.8
239.03476	0.6
240.04169	0.4
255.02971	72.1
256.03531	7.9
257.04633	1.6
283.02539	1.7
284.03262	100.0
285.03827	14.5
286.04419	0.9
327.05292	0.4
471.09335	1.4
635.16174	58.3
636.16492	9.2
655.93329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77243	1.0
55.01754	7.4
57.03300	1.7
59.01252	18.5
65.00216	1.2
68.99688	2.4
69.03317	1.4
71.01254	17.9
71.52842	2.0
73.02810	7.6
75.00745	5.2
83.01251	10.4
83.04915	1.7
85.02819	3.2
87.00759	3.1
87.04393	3.9
89.02315	3.8
95.04890	1.4
96.95886	1.6
97.06459	1.6
99.00755	5.2
100.57380	1.1
101.02309	6.6
101.05886	1.2
103.00250	5.2
111.00748	6.5
112.98683	7.5
113.02340	4.1
113.05993	1.9
115.24916	1.1
117.01830	4.9
123.04459	2.3
125.02353	2.5
127.00255	13.3
127.07512	1.1
131.03415	4.4
135.04445	2.0
135.08113	1.6
137.02376	1.7
137.09605	9.6
145.01358	4.7
154.99763	49.9
155.01042	2.4
155.10680	81.0
156.00159	1.3
156.10986	3.8
159.02879	3.5
161.04460	1.7
165.01872	1.5
169.01334	4.0
169.12276	1.4
173.04445	1.4
179.10600	1.3
181.08646	2.1
187.02396	23.1
187.03909	2.0
199.09685	100.0
200.10027	5.6
201.11189	1.2
203.05519	1.4
205.04984	1.3
211.04071	1.6
223.09705	1.4
225.11377	1.9
227.03426	11.2
228.24402	1.3
241.10794	3.4
255.02995	20.1
256.03323	2.7
284.03241	28.3
285.03946	5.1
289.07205	1.2
327.10855	4.4
351.21759	1.3
357.22665	1.5
359.06274	3.9
369.22809	3.1
385.15091	1.9
387.23947	11.5
403.16159	3.1
501.27228	2.1
531.17596	1.3
559.16827	7.2
635.15540	17.7
636.17017	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2509
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
54.46745	1.2
56.19028	1.0
56.70936	1.6
64.92384	1.1
68.94470	1.0
70.80650	2.8
81.99175	1.1
106.32027	1.4
125.04860	1.2
203.87424	1.2
248.72798	1.3
279.22098	1.2
366.70221	1.1
419.18634	2.4
430.13904	1.8
431.18674	5.6
432.19165	1.3
433.20120	1.7
445.16238	2.8
458.17419	4.1
460.14786	1.4
473.20755	6.5
474.16818	9.6
475.17654	4.2
483.22244	1.5
487.17554	1.9
488.18494	8.4
489.19116	6.6
490.20343	7.5
501.18954	2.1
505.22687	6.0
516.17883	2.3
549.21405	4.4
559.23358	1.5
575.23065	15.3
576.23492	10.6
577.24530	2.1
603.22168	2.4
635.25116	100.0
636.25372	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	635.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60236	2.3
53.75816	2.3
59.01250	100.0
71.01252	68.8
72.99177	3.7
73.02822	23.2
77.77434	2.6
83.01247	8.2
85.02817	23.2
85.70922	2.3
87.00751	7.2
89.02319	41.6
93.03356	7.0
94.24747	2.5
95.01280	7.2
96.95876	3.3
99.00766	3.6
101.02325	44.4
113.02335	44.4
119.03403	17.5
125.02323	8.4
131.03424	3.5
137.02333	3.3
137.09604	3.7
143.03415	8.8
149.04462	7.5
161.04424	19.1
173.04453	6.6
179.05563	7.7
191.05548	10.9
192.06033	2.4
231.44463	2.6
237.63464	2.7
258.85229	2.8
278.38181	2.9
318.71957	2.8
341.22870	2.9
342.84778	2.6
369.19092	5.1
387.20258	4.7
460.98657	3.3
531.24506	76.7
532.25244	13.3
548.67072	2.7
549.25598	48.0
550.26025	8.7
591.27100	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54868	2.0
55.85096	2.2
58.00465	2.0
59.01251	100.0
63.03122	1.8
69.47172	9.5
69.47593	5.8
71.01254	52.5
73.02821	8.9
83.01254	6.1
85.02824	18.0
87.00745	5.2
89.02319	39.3
95.01246	6.9
99.00757	2.4
101.02325	25.1
113.02329	34.2
119.03389	12.2
125.02347	3.1
126.49808	2.1
143.03366	4.9
161.04463	10.0
173.04482	3.5
176.69440	1.9
179.05495	6.7
189.35599	2.3
223.11272	2.2
300.28006	2.0
344.87500	2.7
369.19199	2.8
387.19952	2.4
440.34360	2.2
446.07288	2.4
516.15100	2.1
531.24463	65.0
532.24799	6.3
549.25507	35.7
550.25665	6.6
591.26508	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	635.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74032	1.5
57.03324	14.9
59.01258	36.4
69.03341	3.5
69.40472	9.1
71.01260	13.3
71.21415	1.3
73.02822	22.1
83.01276	3.9
83.04887	3.0
85.02830	4.4
86.93369	1.3
87.00775	2.7
87.04379	2.5
89.02326	4.5
93.03307	1.6
95.04916	2.6
96.95900	5.2
97.02843	1.6
97.06470	8.3
97.29004	1.3
98.06827	1.5
99.04403	4.4
99.08038	2.5
101.02328	10.0
109.06492	2.1
111.08063	8.6
113.02331	5.6
119.03431	2.2
123.04414	5.3
123.08056	6.2
125.02348	2.6
125.09589	4.8
129.09105	3.7
137.09628	2.6
139.07539	3.5
141.09116	3.1
153.09087	2.4
155.10681	3.5
159.10187	34.8
160.10423	2.1
161.04446	2.1
167.10681	3.7
169.08615	22.2
170.08984	1.7
173.04541	1.9
173.11774	2.3
178.45134	1.3
179.03366	2.3
185.00824	1.9
193.08629	2.6
199.09720	2.9
203.12900	1.7
217.14316	9.2
227.03741	1.6
235.17010	1.4
237.38110	1.2
244.48146	1.5
255.02965	3.2
284.03287	3.7
298.59784	1.4
322.79510	1.7
343.24869	4.7
369.22726	6.5
387.23901	100.0
388.24158	10.4
411.23764	2.4
449.27814	1.9
531.27795	1.7
549.28693	2.5
591.30353	37.2
592.30341	6.0
635.16113	2.6
635.29828	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05676	0.8
53.88061	0.8
57.03325	39.7
58.00465	1.3
59.01251	19.8
63.85288	0.8
69.03324	2.0
69.91992	4.8
71.01254	11.7
73.02821	20.0
79.05414	0.9
83.01249	3.7
83.04916	1.8
85.02813	7.2
87.00702	1.0
87.04392	11.1
89.02309	1.3
93.03363	0.9
96.95890	1.8
97.06480	2.3
99.04406	11.1
99.08050	5.5
101.02323	8.8
101.05971	1.2
102.54502	0.9
107.08541	1.5
109.06477	4.2
111.04375	1.7
111.08025	4.6
111.08701	1.1
113.02354	4.5
113.09583	2.7
121.06481	2.2
121.10129	1.1
123.04410	10.3
123.08078	4.3
125.02377	1.1
125.09601	10.6
127.07525	1.9
129.09102	5.9
135.08057	1.7
137.09633	6.8
138.06795	1.1
139.07545	3.2
141.09061	2.0
143.03403	1.8
143.10669	2.4
149.04430	1.1
149.09657	1.1
151.07521	1.5
151.11136	1.2
153.09117	5.5
154.99818	0.9
155.10652	2.9
159.10152	4.2
161.04474	2.8
163.07553	1.7
165.09126	4.2
167.10770	1.4
169.08620	87.2
170.08899	2.7
173.11758	8.8
179.10622	1.5
181.12276	1.9
187.13353	2.9
193.08669	12.2
197.11646	1.4
199.09663	1.5
199.13289	0.9
203.05537	1.6
211.09668	2.4
217.14406	92.0
218.14780	6.1
284.03220	1.5
285.20721	1.2
291.24274	1.0
329.19662	2.0
343.51889	1.0
351.21689	1.2
357.22986	1.5
369.22806	5.2
387.23898	100.0
388.24255	11.2
411.24069	1.5
425.30853	1.0
591.30469	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	635.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03048	1.1
57.03321	16.2
58.00474	1.1
58.76560	0.8
59.01248	15.2
63.94926	0.6
69.03300	1.2
70.95264	0.8
71.01257	7.2
71.04889	1.2
71.30434	1.2
73.02815	12.5
73.04874	0.7
83.01247	2.1
83.04875	1.0
85.02830	8.3
86.03648	0.9
87.04389	7.5
88.26166	0.8
89.02317	1.8
90.89275	0.8
95.04874	1.2
96.95898	1.3
97.06450	2.6
99.04416	1.6
99.08050	3.1
101.02324	4.9
101.05985	1.3
109.06474	4.7
111.04384	1.0
111.08048	7.9
113.02319	2.7
113.09590	1.2
115.15915	0.9
121.06494	1.7
121.10134	1.6
123.04394	3.4
123.08069	3.7
123.26237	0.9
125.02192	0.8
125.05978	1.3
125.09599	7.1
127.07536	1.9
129.09096	5.4
131.03484	1.0
135.08066	1.7
135.17557	0.7
137.09636	7.2
138.06804	1.0
139.07524	2.6
141.09114	2.1
143.10649	1.7
149.09634	0.9
151.03629	0.8
151.07532	2.0
151.11134	1.4
152.08293	0.9
153.09143	8.4
155.10687	6.3
159.10184	4.6
163.07516	1.0
165.09093	4.4
167.10608	1.3
169.08606	23.5
171.71201	1.0
173.11749	6.9
181.12251	1.9
187.13306	3.3
193.08611	1.4
197.11658	1.3
199.09593	1.1
199.13283	1.0
203.12794	1.4
212.54117	0.8
217.14394	37.1
218.14702	2.6
225.11136	1.1
255.02837	1.5
284.03262	1.4
285.20709	4.6
325.23923	1.2
329.19644	4.0
343.24716	2.6
369.22763	4.7
387.23862	100.0
388.24152	10.2
408.50098	0.9
411.23840	2.7
486.15509	1.0
531.27911	1.7
591.30829	1.6
649.10370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56054	1.0
57.03324	52.3
57.84916	1.3
58.00477	1.3
59.01250	19.1
60.20346	1.2
64.69585	1.1
69.03326	3.4
71.01252	9.8
71.04934	1.2
71.30590	1.8
73.02819	14.6
83.01263	3.1
83.04910	1.8
85.02829	6.3
87.04392	8.1
97.02842	1.2
97.06484	3.6
99.04404	16.4
99.08025	2.9
101.02301	5.7
107.08547	2.2
109.06451	4.0
111.08035	3.5
113.02338	3.2
123.04419	12.8
123.08022	3.4
125.09629	16.3
126.36635	1.1
127.07537	1.3
129.07513	1.1
129.09106	5.0
135.04463	1.6
137.09627	4.8
139.07594	3.7
141.05467	1.4
141.09050	2.1
151.07516	3.1
153.09079	5.9
154.99771	1.3
155.10667	2.9
159.10173	3.8
165.09149	4.9
169.08617	97.0
170.08969	4.5
173.11760	9.4
181.12360	1.3
193.08621	16.0
199.09451	1.4
203.05600	2.0
203.12888	2.2
211.09677	4.2
217.14407	100.0
218.14703	5.0
227.03488	5.1
245.17570	1.4
255.02962	10.5
259.10516	1.2
282.09479	1.2
284.03235	11.5
285.03778	1.9
285.20728	2.2
316.82883	1.5
329.19696	9.8
353.19360	1.7
369.22815	2.5
373.14822	1.6
387.23935	13.6
635.16071	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	637.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	7.7
57.29353	0.9
59.01249	100.0
61.98685	3.1
63.72911	0.9
69.03330	3.3
69.21249	10.3
71.01253	26.0
72.99159	1.6
73.02805	4.6
74.27055	0.9
74.38451	0.9
75.00748	1.3
81.03326	2.2
83.01258	3.7
85.02834	10.5
87.00724	2.0
89.02309	11.0
93.03324	1.4
95.01231	1.8
97.02829	4.8
98.20566	2.4
99.00763	6.0
99.04408	1.2
101.02328	10.4
111.00716	1.7
113.02351	6.4
117.01868	1.4
121.02811	3.2
122.57925	1.0
123.04383	1.4
125.02321	15.8
129.01768	1.5
131.03384	9.4
139.03868	1.1
140.83328	1.1
143.03392	1.5
149.04474	1.9
151.03902	1.6
151.25513	1.0
161.04462	1.7
173.04501	1.2
191.05502	2.9
205.47319	1.1
211.29756	0.9
233.06700	4.6
241.08734	5.6
242.09468	9.7
257.11807	56.0
258.12158	4.2
261.71417	1.1
275.07721	49.4
275.10764	2.4
276.08102	3.1
293.08755	11.5
335.09860	8.6
533.19965	2.0
637.31726	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	637.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.0
59.01252	12.4
61.98688	2.1
65.03822	3.0
69.03314	2.3
69.76723	3.9
71.01255	12.6
72.99181	1.2
73.02808	3.0
81.03339	0.8
83.01256	1.5
83.04884	2.1
85.02831	4.2
87.00735	4.6
89.02315	5.7
91.05403	3.5
93.03365	0.9
95.01254	1.5
95.04897	2.1
97.02831	1.1
97.06454	2.8
101.02335	8.2
107.04932	0.8
109.06467	1.7
113.02345	4.7
115.05407	2.8
119.03383	1.0
119.04886	2.3
123.08034	2.8
125.02435	1.4
125.09606	11.6
133.10098	1.5
135.08055	1.8
145.04956	3.1
149.09666	0.8
151.03914	0.9
153.09085	0.9
161.04495	1.6
163.03925	1.2
163.11143	1.1
171.10158	3.1
173.04332	0.8
178.99815	0.9
183.10136	0.8
185.11795	4.1
185.13202	1.2
187.09583	1.0
187.14865	5.6
191.10591	1.1
197.09372	0.8
201.12721	1.6
203.14354	1.1
209.11768	11.9
211.13263	1.2
213.12788	6.2
215.10712	1.7
231.13864	15.8
233.11737	2.3
235.08211	4.3
235.13351	1.1
247.13356	3.3
249.14908	3.2
253.09146	0.9
321.22644	0.9
329.24838	1.1
339.23230	2.6
355.22864	1.4
357.24319	2.4
365.21143	2.0
373.23965	3.7
383.22260	16.6
384.22556	2.3
391.24670	2.2
401.23325	18.1
402.23523	2.1
419.24567	4.7
609.32642	1.0
619.31201	100.0
620.31537	21.1
620.74377	0.8
637.32245	23.5
638.32776	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32936	0.8
57.03293	0.8
59.01246	7.5
65.00200	3.0
67.55602	0.7
68.99681	1.0
69.23136	1.8
69.23551	5.4
72.99148	0.9
73.02813	1.7
81.03315	0.7
83.01263	1.6
84.70250	0.6
85.02795	1.2
87.00763	1.2
88.56031	0.7
89.02325	2.0
93.03369	1.1
95.01227	1.5
99.00787	1.1
101.02310	1.0
107.01253	3.8
109.02814	1.2
109.99996	3.1
111.00751	3.5
113.02283	1.7
121.02832	6.3
123.00771	2.8
123.04392	0.9
124.01502	0.8
125.02351	2.8
133.99966	1.0
135.00749	1.0
136.98657	1.4
137.02266	0.9
137.99458	1.0
139.00281	5.0
139.03891	1.3
143.04904	2.2
145.02872	2.1
149.02393	4.3
149.99498	1.0
151.00269	10.5
151.03873	1.0
153.01810	0.9
154.99890	0.9
158.03613	1.0
159.04437	2.2
161.02374	4.2
163.00230	4.7
164.01022	1.5
164.98137	1.6
165.01852	1.0
165.99013	4.5
171.04433	5.6
173.02373	1.6
173.04514	0.8
175.00264	1.5
175.03862	2.0
177.01860	1.4
177.98982	1.7
178.99794	7.0
185.02394	1.1
186.03082	1.1
187.03918	9.0
188.04402	0.9
189.01915	5.6
190.02388	0.9
191.03484	1.1
191.17444	0.7
193.98483	1.9
197.02364	1.4
198.03102	1.5
199.03908	3.8
201.01930	1.7
202.02559	1.9
203.03427	3.2
213.01860	1.6
214.02614	4.2
215.03444	14.7
215.25594	0.7
216.03944	1.8
217.01289	2.9
217.04910	0.8
219.02895	1.1
225.02008	0.9
226.02745	1.4
227.03342	4.2
228.03847	2.2
229.01405	1.7
229.04112	0.9
230.02127	2.2
231.02934	6.0
232.03282	0.9
241.01491	3.7
242.02203	5.6
243.02948	15.4
244.03500	2.8
245.00787	1.8
253.01370	0.9
254.02238	1.3
255.03000	3.8
256.03445	3.0
257.03696	2.3
258.01645	2.6
258.04095	1.2
259.02365	8.2
260.03058	2.1
269.00937	1.3
269.04758	0.8
269.40305	0.9
270.01672	6.9
271.02454	13.5
272.03296	5.4
272.10590	2.1
273.03699	1.4
273.11246	3.2
283.02426	0.9
284.03220	2.3
285.03824	3.8
286.01041	1.5
286.03934	3.9
287.01968	88.7
288.02203	8.1
298.01114	2.1
299.01962	7.6
300.02682	2.8
301.03522	2.7
302.04297	1.3
303.05072	1.3
313.03485	2.9
315.01453	34.2
315.04663	1.5
316.02151	14.4
329.03131	1.2
330.03748	17.9
331.04529	18.1
332.04926	1.9
373.26242	1.0
377.16882	0.7
444.54398	0.8
535.31097	4.7
536.31189	0.9
553.31396	0.9
561.56879	0.8
563.29163	0.8
595.16614	1.2
595.32526	1.2
607.13068	2.4
611.16315	0.9
621.14789	2.0
639.15723	100.0
640.15991	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	639.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.7
59.01252	14.8
65.00180	2.8
65.28147	0.8
66.11679	0.8
69.51590	7.2
72.99190	1.1
73.02824	5.9
75.00749	1.1
83.01240	3.2
85.02824	2.0
87.00754	1.3
87.04367	2.4
89.02316	3.4
90.64861	1.0
95.01289	1.4
97.02834	1.4
97.06472	1.2
98.20577	1.3
99.00758	2.0
101.02322	2.2
107.01255	2.5
108.02055	1.3
109.02810	1.8
109.99966	3.5
111.00739	3.9
112.08408	1.5
113.02314	3.3
117.76458	1.0
117.77284	1.0
119.04859	1.5
123.00758	3.5
123.04385	1.7
124.01583	2.0
125.02348	3.8
133.31107	0.9
135.00665	1.2
136.98691	1.3
137.02313	1.8
137.99487	1.4
139.00240	5.9
139.03815	1.3
139.95767	0.9
141.01770	1.0
147.04485	1.1
148.01671	0.9
149.02313	1.7
149.04471	1.3
151.00293	8.3
151.07527	1.1
152.01004	3.4
153.01781	1.8
154.09430	1.0
155.10669	2.5
155.41957	1.0
157.02879	1.1
159.04416	1.4
161.02379	1.4
161.04604	1.5
163.00247	2.9
163.03966	1.6
164.01077	1.8
165.99034	5.9
166.99739	4.2
167.03409	2.1
171.04424	3.4
172.09987	0.9
173.11743	1.1
175.00322	1.2
175.03886	3.2
178.99739	5.8
180.04062	1.1
182.03651	1.1
186.03081	1.3
187.03885	3.5
191.38393	1.0
198.03262	1.9
199.03932	2.6
200.04604	1.2
202.02740	2.0
203.03479	4.5
205.01453	1.4
209.04561	1.9
213.01877	2.6
214.02650	3.6
215.03453	7.8
216.04129	1.7
217.04897	1.2
219.02887	1.0
225.02051	1.3
225.94095	0.9
226.02670	2.6
227.03455	2.4
230.02092	1.5
231.02977	5.8
241.01413	3.4
242.02122	8.9
243.02936	10.1
244.03629	1.7
246.05286	1.1
253.01433	2.2
255.02957	3.0
255.19771	1.0
257.04633	1.8
258.01639	6.0
259.02457	8.7
259.06033	1.8
260.03152	1.4
269.00980	2.2
270.01669	11.4
271.02472	9.0
272.03262	4.4
273.04108	5.9
273.06696	1.2
274.04996	1.0
284.03174	1.3
285.04080	12.4
286.01141	6.5
286.04367	2.1
286.98718	1.7
287.02008	34.0
287.05493	3.9
288.02444	5.1
297.00186	1.2
298.01108	3.5
299.01920	4.5
301.03497	8.7
302.04355	10.5
303.04745	2.5
312.02682	1.1
313.03528	10.3
314.04272	2.3
315.01517	19.0
315.04999	2.4
316.02145	12.5
316.05414	1.7
317.02847	1.3
329.02924	2.6
330.03778	23.0
331.04559	40.4
332.05005	3.3
342.12128	0.9
357.09885	4.6
387.11029	1.8
388.10776	1.0
389.25427	5.2
390.25800	10.3
391.26233	6.6
459.12756	1.3
489.12997	1.5
535.31079	4.9
595.33698	1.1
621.15192	2.3
622.15570	1.2
639.15668	100.0
640.15881	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75951	0.7
51.39735	0.5
53.98280	0.6
59.01252	11.1
61.98684	0.6
69.29767	5.9
71.51253	0.6
73.02816	2.7
79.74672	0.6
83.01289	1.0
85.02834	2.1
87.00738	1.3
89.02319	1.9
92.65359	0.7
97.06521	0.8
101.02322	3.0
109.02890	0.6
112.32344	0.6
113.02323	2.1
123.04494	0.7
125.02357	1.3
135.04504	0.8
135.75589	0.7
143.03432	0.8
148.01756	0.9
151.00249	3.9
155.10701	1.9
161.02324	0.8
163.00296	1.2
168.86992	0.6
171.04387	0.8
173.04514	0.8
173.38065	0.6
178.99762	0.8
183.04460	1.4
194.78210	0.6
199.03938	2.7
199.09688	2.1
203.03362	1.1
204.04216	0.7
215.03384	1.9
217.14330	0.9
227.03433	4.6
227.07076	1.2
228.03841	0.9
228.07367	0.7
229.08638	0.7
229.60709	0.6
242.02245	2.4
243.02957	19.0
244.03601	1.6
255.02980	16.0
256.03513	1.5
257.04617	1.8
259.05981	1.1
270.01685	3.0
271.02469	36.5
272.03058	4.7
285.04138	3.0
286.04849	1.0
287.05621	1.7
291.89008	0.8
299.01965	24.3
299.05371	1.3
300.02722	36.5
301.03143	3.0
313.03482	1.5
314.04288	16.4
314.07922	0.9
315.05099	100.0
316.02151	1.2
316.05450	9.5
330.04031	0.8
331.04477	1.2
357.06006	1.5
373.26224	0.8
535.31372	8.1
541.08612	0.6
553.31995	2.0
595.32971	1.0
639.15674	63.9
640.16144	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	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85310	0.6
59.01263	4.0
69.28835	6.0
72.99171	0.7
75.00767	1.2
85.02848	1.6
87.00774	1.2
89.02348	0.7
91.32663	0.7
101.02364	1.5
109.02843	1.1
113.02346	1.6
123.04385	0.7
124.41541	0.8
125.02316	1.5
125.04200	0.6
134.03674	2.5
135.04451	1.6
137.02391	0.8
139.94055	0.6
141.09137	0.7
149.02368	1.6
150.03145	3.7
151.00258	4.0
151.03926	1.4
153.01892	0.7
155.10741	1.2
163.00285	0.8
163.03975	1.3
165.05521	3.5
167.03447	0.8
173.04558	1.7
175.03912	0.8
178.99786	2.4
179.03386	1.0
179.07037	0.7
186.03044	0.8
189.01936	0.8
191.05545	1.1
193.04985	1.3
195.06433	0.9
198.03236	1.0
214.02704	2.0
221.04544	0.9
241.01447	1.9
242.02159	15.5
243.02823	2.1
244.44409	0.7
245.00887	4.4
249.06171	2.4
254.01768	1.0
257.04614	1.0
270.01685	25.1
271.02341	4.4
271.09695	1.8
273.00259	0.9
285.04041	12.4
286.04523	1.4
287.02054	1.2
297.00375	0.8
298.01169	7.8
299.01880	3.8
300.02652	1.1
313.03540	100.0
314.04019	14.4
315.01431	4.0
315.05060	7.6
315.08636	1.1
316.46887	0.8
330.03885	1.2
331.04453	1.6
442.10812	0.8
476.09726	4.6
477.09961	3.9
519.11060	0.9
639.15607	89.8
640.15863	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	639.1567
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.12399	1.7
59.01272	1.7
71.97427	1.2
77.21672	1.4
78.21842	1.2
89.02317	5.9
93.03340	1.5
95.04908	1.4
105.03356	1.7
107.04865	1.9
109.02813	3.1
121.02823	1.8
123.04415	31.7
125.02324	3.6
133.02855	26.7
135.04370	7.3
137.02403	1.6
149.02428	3.5
149.04449	33.0
151.00288	7.0
151.03908	5.5
159.30807	1.5
161.02393	2.0
167.03354	1.7
173.04590	1.7
175.03819	1.7
177.01872	9.1
179.03395	3.2
186.03151	2.0
191.05511	2.1
194.20045	1.3
195.02928	27.3
196.03293	2.5
214.02722	1.9
227.21788	1.4
233.49306	1.3
241.01585	1.6
242.02168	19.4
243.02879	7.2
245.00914	6.3
247.09534	1.4
255.02969	2.7
257.04630	2.0
270.01672	32.7
271.02444	11.5
271.05408	1.8
272.03049	1.8
283.02545	1.5
285.04019	11.9
289.07321	3.7
298.01297	7.9
299.01938	9.9
300.02737	26.6
301.03061	2.7
311.07751	4.0
313.03543	100.0
314.04208	20.9
315.05087	75.6
316.05322	6.7
327.07385	7.8
357.06143	4.1
447.07495	3.0
452.67963	1.6
461.07233	2.9
476.09634	12.8
477.10367	80.0
478.10669	9.5
519.11450	5.2
639.15668	32.6
640.15814	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	639.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41064	0.9
55.01756	1.6
57.03311	3.7
59.01252	23.2
61.98708	1.5
65.03828	2.7
65.71880	1.0
70.89431	2.2
71.01257	25.5
72.99174	1.3
73.02832	6.3
81.03313	1.4
83.01260	3.3
83.04907	7.8
85.02822	6.9
85.06466	2.6
87.00756	9.3
87.28668	0.9
89.02322	10.5
91.05389	1.8
93.03328	1.5
95.01273	2.2
95.04909	2.0
97.02811	1.4
97.06462	4.4
99.00753	2.0
101.02321	15.7
107.04919	1.7
109.06458	4.3
111.00760	1.4
111.04419	1.3
111.08040	10.8
113.02342	10.7
119.03381	2.4
119.04885	2.5
123.08029	2.0
125.02305	2.1
125.09616	10.9
127.03889	1.1
133.04915	1.4
133.06496	1.1
135.08032	1.0
137.09599	3.8
143.03429	1.2
145.04967	4.2
151.11174	1.4
153.09073	1.5
156.89687	1.2
159.08066	1.3
161.04427	3.4
165.12730	1.0
171.10184	100.0
172.10507	5.5
177.12604	1.1
179.05540	1.7
187.09665	1.6
187.14836	1.5
189.16452	1.6
197.11694	1.2
203.14478	1.1
205.12453	1.0
205.15967	7.3
209.11792	11.9
211.13319	11.5
212.13547	1.5
215.14366	8.1
221.15363	3.0
231.13951	6.7
231.17400	1.4
233.15422	30.6
234.15730	1.8
235.08202	12.6
235.13292	1.2
237.14847	1.3
239.16425	1.3
247.13416	1.3
247.16986	1.4
249.12431	2.0
249.14946	40.7
250.15225	2.5
251.16458	1.9
253.09258	7.2
263.16708	1.1
313.25226	1.8
331.26215	1.2
339.23413	1.6
341.24789	8.1
357.24261	2.7
359.26013	3.8
367.22775	5.1
375.25467	4.9
377.26877	1.5
380.85074	1.0
385.23880	27.4
386.24197	3.3
393.26080	2.0
403.24899	55.5
404.25119	7.2
407.19125	2.9
421.25964	17.5
422.26212	2.2
467.22876	1.6
477.28906	2.3
485.23889	4.6
581.65912	1.2
611.34381	2.5
621.32794	70.2
622.33118	10.9
639.33881	69.1
640.34283	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	641.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76918	1.7
57.03313	2.3
59.01236	6.5
63.02225	2.1
65.00198	3.5
71.01244	3.9
71.52806	2.7
73.02816	4.2
83.01246	3.3
85.02824	5.7
87.00753	2.2
92.71956	1.7
93.03303	5.7
95.01253	3.7
97.02805	2.9
99.00751	2.8
101.02339	3.1
107.01295	3.3
107.49593	1.7
108.67367	1.8
109.02835	12.0
110.00015	9.6
111.00748	7.7
113.02291	2.2
116.92721	6.3
121.02836	2.9
123.00793	4.5
123.04388	6.2
124.01517	3.6
125.02328	10.0
136.98730	2.6
137.02304	5.7
137.99408	3.3
139.00253	9.6
146.03583	2.7
147.04372	2.8
149.02319	4.9
151.00275	16.8
151.03915	3.3
152.01010	5.8
153.01747	2.2
155.10622	6.9
159.04515	2.0
161.02342	5.2
163.00267	4.0
163.03894	2.7
164.01059	4.3
165.01834	4.5
165.63542	1.8
165.99013	9.6
166.99718	6.8
167.03384	4.2
171.04329	2.7
173.02269	2.3
173.04459	7.0
173.05833	2.0
174.03104	3.5
175.03925	8.1
176.00911	2.0
177.01779	3.6
178.99782	14.6
187.03893	5.7
189.01839	7.2
189.05518	2.3
190.02597	3.7
191.03653	2.8
191.05508	31.0
199.03883	8.0
199.09605	2.1
201.01892	3.5
203.03400	4.0
203.63109	2.0
205.05156	3.4
214.02585	4.2
215.03470	3.5
217.01306	3.7
217.04994	3.1
226.02736	1.9
227.03461	10.2
229.01131	2.0
231.02959	4.1
241.01361	2.3
242.02176	8.0
243.02867	12.8
244.03349	3.5
255.02930	9.4
257.04327	3.5
259.02448	6.6
270.01678	6.6
271.02463	50.9
271.05563	3.6
272.03058	6.9
273.03949	4.5
285.04111	2.3
287.01987	20.1
288.02631	11.8
289.03555	2.2
289.07062	3.3
297.03879	5.0
298.01242	1.9
299.01984	53.8
299.05322	4.6
300.02405	7.3
301.03366	2.8
313.03586	3.0
315.04218	3.1
316.02209	73.5
317.02933	49.0
423.10764	20.6
424.11340	2.5
449.08749	28.9
450.09302	4.1
463.08908	2.3
467.09720	2.9
479.08270	7.5
537.32806	9.7
554.40948	2.0
623.12732	2.6
639.70850	2.2
641.13611	100.0
642.14160	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	641.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.5
63.02271	1.6
64.63493	1.1
65.00194	7.8
68.99696	1.2
70.01579	3.3
71.01239	2.2
79.01749	1.1
83.01267	3.5
85.02831	2.5
87.00745	1.3
89.02341	1.4
93.03361	1.1
95.01289	5.4
96.99165	1.4
98.19802	1.3
99.00760	2.8
101.02273	1.2
106.00481	4.3
107.01280	7.8
108.02027	1.6
109.02850	10.4
109.99949	1.5
111.00780	8.3
120.99213	2.4
121.02811	1.9
123.00755	7.7
124.01543	3.0
124.98712	2.3
125.02332	3.1
133.02844	4.3
133.99957	1.0
135.00771	1.8
136.98712	2.0
137.02319	2.9
139.00270	10.4
140.01038	1.6
141.01816	1.7
143.04887	1.7
145.02847	2.5
146.03595	1.4
147.04398	2.3
148.01595	3.0
148.98740	2.3
149.02344	4.8
149.99452	7.1
151.00273	19.2
152.01080	4.6
153.01816	3.1
154.99757	3.7
155.10640	2.1
157.02914	1.4
159.04448	5.3
161.02391	6.8
163.00267	3.2
163.03932	2.0
164.01036	2.5
164.98216	2.2
165.98958	3.6
166.99780	6.5
168.00554	5.3
169.01341	2.1
171.04451	4.1
173.02368	2.6
174.03191	2.3
175.00420	1.4
175.03940	8.2
176.01112	1.6
176.98105	1.3
177.01840	4.3
177.98979	9.3
178.99796	25.1
180.00392	1.6
181.01294	1.3
181.98462	1.5
185.02391	1.4
187.03938	10.3
188.04527	1.0
189.01944	5.8
190.02576	2.2
191.03377	3.0
191.05544	2.9
192.00537	3.2
193.01329	2.7
194.99327	3.4
197.02411	1.7
197.06432	1.0
199.03947	5.6
201.01852	4.1
202.02582	2.9
203.03461	12.2
204.04099	2.4
204.97795	2.1
205.01331	2.3
206.02136	2.2
206.99355	1.6
207.03088	1.3
209.00905	1.7
213.01889	4.5
214.02600	2.3
215.03450	8.4
217.01331	4.1
219.02945	2.9
222.98769	2.9
227.03493	2.5
229.01381	3.8
230.02151	2.4
231.02992	9.5
232.00151	1.1
232.03752	9.7
233.00880	1.7
233.04424	1.9
235.64978	1.0
241.01410	2.5
242.02187	3.8
243.02965	15.1
245.00888	3.1
245.04482	1.3
246.01634	1.5
247.02460	2.9
255.02969	1.2
257.00842	2.3
258.01672	4.3
259.02426	9.9
260.03113	3.9
261.00363	1.5
261.03781	1.1
269.00839	3.1
270.01660	1.7
271.02484	26.1
271.05475	1.5
272.02982	1.9
286.01236	4.8
286.98761	1.8
287.01971	34.4
288.02661	13.3
289.03445	2.4
297.00363	7.7
299.01971	8.8
300.02606	3.6
301.03528	1.8
303.01413	2.2
304.02426	1.3
314.00650	7.1
315.01468	100.0
316.01834	9.3
317.03027	3.7
331.00864	1.5
332.01639	13.6
333.02356	4.4
358.69876	1.0
358.74518	1.2
449.08582	1.8
489.12619	2.7
501.12537	3.2
505.11905	2.3
529.12634	1.4
537.32678	4.2
541.15527	4.7
569.14862	4.1
579.13818	1.2
595.12225	2.2
597.14557	4.7
613.13763	1.8
623.12378	9.6
624.13263	2.2
641.13617	30.3
642.13513	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	641.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29625	1.3
57.03314	1.9
59.01246	4.5
63.02262	1.9
65.00192	6.9
71.01264	3.0
73.02840	1.9
80.90591	1.3
83.01268	2.3
85.02798	3.2
86.69144	1.5
87.00727	2.1
89.02345	1.5
93.03326	2.3
95.01279	4.0
99.00716	1.4
106.00471	2.3
107.01275	6.6
109.02834	11.6
111.00762	7.1
113.02319	1.3
120.99264	1.6
121.02798	1.5
123.00761	7.1
123.04408	3.7
124.01559	1.9
124.98707	2.7
125.02345	5.0
133.02864	3.0
135.00812	1.5
135.04399	2.4
136.98729	2.8
137.02330	3.2
139.00284	8.1
139.03976	1.5
141.01840	1.4
141.50766	1.4
143.04961	1.4
145.02859	1.8
147.04463	2.1
148.01547	3.4
149.02440	7.4
149.99500	4.2
151.00276	17.5
152.01001	2.7
153.01837	5.5
155.10704	8.6
157.02861	1.3
159.04407	4.2
161.02353	8.2
163.00327	4.2
163.03842	2.0
164.00928	2.2
164.98209	4.0
165.01877	2.9
165.98938	2.0
166.99760	3.9
168.00555	3.4
169.01360	3.1
169.02878	1.3
171.00658	1.4
171.04462	4.2
173.02388	1.3
175.03954	7.5
176.01051	1.5
177.01833	5.4
177.98991	6.9
178.99792	31.0
181.98412	1.4
183.04434	1.5
185.02388	1.7
187.03900	8.4
189.01923	7.9
189.05482	1.9
190.02652	3.1
190.99828	1.7
191.03639	2.8
191.05533	20.6
192.00601	2.9
193.01389	4.4
194.99263	2.6
195.02985	1.4
199.03912	5.9
199.09645	3.1
201.01875	2.2
203.03432	7.1
204.04132	2.0
204.97653	2.9
205.01541	1.7
205.04971	3.6
206.99225	2.2
207.02913	2.9
209.00865	4.4
213.01921	1.7
214.02686	1.6
215.03355	6.4
217.01437	4.6
217.05008	3.8
218.02077	2.0
222.98729	2.1
227.03464	3.7
229.01353	3.6
230.01982	2.2
231.02998	7.7
232.03772	4.1
233.00861	1.7
233.04558	8.4
237.67581	1.8
241.05092	2.4
242.02000	3.0
243.02982	13.6
245.00940	3.4
245.04532	2.7
246.01682	1.6
247.02399	3.1
255.02786	2.1
258.01761	2.6
259.02438	5.5
259.06332	1.5
260.03143	1.6
261.04007	4.3
270.01660	1.8
271.02478	32.5
271.05710	2.4
272.02969	2.5
275.02203	1.6
284.03476	2.0
285.04010	1.9
286.01035	2.9
287.01959	35.4
288.02576	8.7
289.03473	9.5
297.00391	9.6
297.03995	7.2
298.01184	1.7
299.02029	8.3
299.05228	2.2
300.02692	9.0
301.03479	6.3
314.00662	2.9
315.01462	100.0
316.01831	11.7
317.02682	2.8
332.01654	7.5
333.02435	5.9
423.10876	18.9
424.11090	2.3
449.08813	33.6
450.09140	3.7
454.98746	1.5
463.08377	3.4
489.12109	1.7
501.12665	4.9
505.11755	8.0
529.11328	1.5
537.32684	1.8
541.15601	5.4
569.15045	3.7
578.47491	1.4
579.13550	1.5
597.14331	7.2
623.12439	11.7
624.13025	2.3
641.13550	37.5
641.22906	3.5
642.14056	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	3.2
67.01747	2.4
70.58466	1.5
71.01266	2.2
83.01254	4.0
85.02811	11.3
87.00732	2.3
93.03337	20.4
96.10095	1.6
97.02821	3.0
97.50016	1.8
109.02843	11.8
111.00755	1.9
111.04369	4.1
121.02805	2.4
122.03598	2.1
123.04407	8.6
125.02304	4.2
127.03926	2.1
135.04425	3.0
137.02342	10.9
139.03876	2.3
145.02832	2.1
146.03506	2.3
147.04391	6.4
149.02322	6.6
149.04385	2.5
149.05977	6.7
149.07066	1.9
151.03893	2.9
155.03372	5.2
158.03656	3.6
159.04420	5.7
161.02293	5.9
161.05974	3.8
163.03903	2.9
165.01811	4.0
172.05122	2.4
173.02341	4.8
173.04443	23.0
173.05966	5.4
174.03082	7.5
175.02510	3.5
175.03917	35.8
176.04401	2.5
177.01822	2.0
187.03845	3.5
188.04611	2.1
189.05498	14.3
191.03619	1.8
191.05542	52.9
191.07047	3.0
192.05852	3.5
199.03915	11.1
199.07509	1.8
200.04486	2.3
201.01843	3.4
201.05521	2.4
203.03445	2.3
205.05058	3.5
211.03996	3.9
213.05516	5.0
215.03430	3.9
217.04980	7.0
219.02972	5.0
221.83833	1.8
225.05444	3.4
227.03508	3.0
227.06822	2.0
229.04947	2.6
231.02905	3.8
241.05107	1.8
242.02180	2.9
243.02928	18.1
243.06604	3.1
244.03368	2.5
247.05942	2.1
253.04988	8.0
254.05470	1.7
255.02856	3.2
255.06664	2.2
257.04541	13.9
258.05145	2.3
259.06189	4.8
261.07681	3.0
269.04767	1.9
271.06143	15.5
272.06378	1.9
273.04105	2.2
281.04706	3.3
297.04074	18.2
298.04373	2.1
299.05603	4.9
300.06317	2.1
301.30280	2.1
341.11127	2.5
359.07889	1.6
363.08627	5.6
374.40610	1.7
379.11716	3.8
387.08755	2.2
405.09705	11.1
407.07788	12.1
423.10855	100.0
424.11090	13.0
449.08759	35.3
450.08945	5.2
467.09528	9.1
468.10284	1.9
489.10141	10.5
623.14282	4.4
641.15045	42.7
642.15149	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	641.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93464	0.9
59.01249	3.3
59.55275	1.0
60.25305	0.9
61.14305	1.4
63.38093	1.0
73.57680	1.0
77.72139	0.9
83.01263	2.7
85.02826	9.5
87.00742	2.1
93.03317	6.5
95.01245	1.7
97.02826	1.6
106.63037	0.9
108.02061	1.8
109.02827	21.3
109.17154	1.0
110.03208	1.0
111.00742	1.5
121.02836	6.1
122.03622	2.5
123.00818	1.7
123.04417	7.4
125.02321	8.4
133.02798	2.0
134.03645	2.2
135.04414	5.3
137.02328	8.1
139.03885	2.9
145.02885	1.4
146.03630	2.0
146.70648	1.2
147.04387	3.7
149.02318	5.0
149.06107	1.3
150.03149	1.5
151.00298	2.1
151.03937	5.5
157.08910	1.0
159.04414	3.6
159.34773	0.9
161.02342	10.8
161.05954	2.1
162.03125	3.3
163.00256	3.0
163.03915	5.6
164.00981	2.0
164.04695	1.6
165.01822	10.3
165.41739	0.9
166.02376	1.3
171.02898	1.1
171.04391	1.6
172.05179	1.4
173.04442	7.7
173.05864	2.3
174.03090	2.4
175.03935	12.2
175.83591	0.9
177.01869	9.9
177.05731	1.2
178.99722	1.8
179.03447	2.1
185.05942	3.5
187.03903	2.9
187.07465	1.3
188.04442	1.1
189.01833	9.9
189.05461	4.2
190.02573	8.3
191.03477	6.5
191.05525	65.4
192.05869	2.5
193.01347	5.4
199.03912	4.0
201.05528	2.4
203.03362	2.3
203.07033	2.2
205.01431	1.3
205.05064	6.3
211.07526	2.2
212.04750	1.2
213.05582	2.9
214.02765	1.1
215.03392	1.5
215.07071	2.2
217.01390	7.9
217.05038	9.1
218.02144	1.3
225.05547	1.7
227.03464	1.9
227.07033	2.7
229.05013	2.4
229.08607	3.2
231.02971	3.1
241.05098	2.6
242.02020	1.1
243.03021	3.4
243.06549	1.6
245.08188	1.2
247.06042	4.3
253.05133	2.3
255.03035	1.8
255.06615	3.3
256.03726	2.4
257.04404	2.4
259.06055	2.9
269.04605	2.9
271.06082	8.5
281.04617	2.7
283.02264	1.8
283.06107	1.2
284.03201	9.9
285.03983	3.8
287.02072	2.1
289.07132	1.7
295.06128	1.9
297.04044	13.5
298.04556	1.9
299.05521	4.7
301.07227	1.7
313.07169	2.6
315.01523	1.9
316.02023	1.6
317.02930	1.3
327.04990	2.5
339.05075	1.1
341.06238	1.4
355.11642	1.8
405.09564	2.1
423.10812	63.9
424.11191	7.4
441.20932	1.1
449.08740	100.0
450.09042	13.9
467.09753	4.2
623.12628	1.2
641.14349	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	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.8
64.04697	2.3
66.76599	2.0
67.01768	4.2
71.06550	7.0
75.43786	2.1
75.71838	2.5
83.01265	4.9
85.02814	11.1
87.00809	2.9
87.36980	2.3
93.03326	24.6
95.01289	2.8
97.02802	2.6
109.02839	18.4
111.00754	2.8
111.04372	3.4
121.02847	5.6
123.00782	2.8
123.04395	11.8
125.02318	7.9
127.03876	3.2
133.02849	2.8
135.04385	3.5
137.02322	10.0
147.04393	7.4
149.02347	8.2
149.05983	7.7
151.03914	4.8
155.03459	4.2
158.03688	3.0
159.04390	6.9
161.02362	9.8
161.05981	3.6
162.03017	3.0
163.00333	3.0
163.03931	4.6
165.01866	6.2
171.04382	3.7
173.02339	4.9
173.04442	27.7
173.05986	6.3
174.03188	11.5
175.03923	43.4
176.04440	2.5
177.05450	3.9
185.05948	7.2
186.55934	2.9
187.03883	8.5
189.05511	24.0
191.03662	5.1
191.05539	70.6
196.63278	2.6
198.03111	4.0
199.03935	14.5
199.07487	2.9
201.01869	4.9
201.05580	4.6
203.38948	2.4
205.05006	7.4
205.10464	3.0
209.06140	3.5
211.03952	5.1
212.04570	5.7
213.05473	7.6
215.03369	4.8
217.04977	10.9
225.05516	5.6
227.03462	5.9
227.06982	5.6
229.04913	5.8
231.02898	9.6
231.06502	3.7
240.04260	4.5
241.04883	5.6
242.02139	3.1
243.02959	32.5
247.05977	5.3
251.03459	4.5
253.05003	12.4
254.05629	3.6
255.06441	3.8
257.04532	19.8
258.05188	7.0
259.06061	10.4
261.07770	5.6
266.85657	2.9
269.04660	2.9
271.06137	26.2
272.06586	3.1
273.03967	3.3
279.02975	2.9
281.04349	3.2
283.02524	2.4
297.04034	20.7
298.04544	4.7
299.05643	6.8
300.05670	2.8
301.07257	4.0
359.29932	2.5
363.08725	5.0
405.09845	10.1
407.07651	11.9
423.10846	100.0
423.16660	4.7
424.11472	14.2
449.08752	38.4
450.09103	6.2
467.09622	5.3
489.10376	9.7
490.10550	3.6
623.14240	4.6
641.15076	28.5
642.15295	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	641.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06870	0.1
59.01247	1.9
61.98699	0.1
63.19308	0.1
66.42065	0.1
69.03311	0.2
71.01262	1.4
73.02827	0.4
78.21588	0.1
81.63177	0.1
82.79924	0.2
83.01275	0.3
83.04933	0.2
84.63612	0.1
85.02828	0.6
87.00743	0.3
89.02304	1.2
97.08785	0.1
99.00761	0.2
99.62927	0.2
99.97816	0.1
101.02325	1.5
111.08074	0.2
113.02332	0.7
119.03394	0.2
125.02306	0.3
137.09546	0.2
143.03336	0.1
145.04979	0.2
147.66130	0.2
155.10701	0.3
161.04456	0.6
165.12808	0.2
167.10735	0.2
167.14346	0.7
168.23218	0.1
183.13826	5.8
184.14159	0.4
189.97887	0.1
193.12270	1.8
199.13322	0.9
200.13814	0.1
205.12218	0.2
211.13335	100.0
212.11623	0.3
212.13680	6.4
223.13329	0.7
235.08209	1.9
246.25896	0.1
253.09258	3.9
254.09464	0.3
325.25201	0.2
387.25479	1.1
405.26459	1.1
406.26541	0.1
429.21249	0.4
435.12531	0.2
447.22369	4.7
448.22699	0.5
623.34735	0.9
624.34589	0.2
641.35327	1.2
642.35376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.2
58.00468	0.2
59.01251	1.8
63.54911	0.1
69.03319	0.5
70.41418	0.2
70.41772	0.4
71.01260	1.3
73.02817	0.3
75.23372	0.1
81.99090	0.1
83.04879	0.2
85.02817	0.4
87.00751	0.3
89.02306	1.2
89.29604	0.1
92.49716	0.1
101.02321	1.4
101.04194	0.1
113.02332	0.6
119.03391	0.3
145.04889	0.2
155.10675	0.2
161.04478	0.6
165.12801	0.3
167.10687	0.4
167.14336	0.6
179.05463	0.2
183.13828	6.5
184.14166	0.2
186.32343	0.1
193.12253	1.6
198.38054	0.1
211.13335	100.0
212.13663	6.2
213.59966	0.2
217.07533	0.1
235.08212	1.6
253.09262	3.8
253.37177	0.2
254.09621	0.2
351.83020	0.1
363.66507	0.1
387.25339	0.5
405.26248	0.2
429.21191	0.5
447.22330	4.5
448.22736	0.5
623.34222	0.8
624.34875	0.2
641.34961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14848	0.8
55.01748	0.7
56.13448	0.7
59.01241	1.4
63.02297	0.7
65.00195	1.0
71.01244	0.8
71.04892	14.2
71.53584	1.1
77.65341	0.7
79.51292	0.7
83.01254	1.6
93.03320	1.2
95.04903	14.2
97.02831	13.5
107.01261	2.3
109.02827	0.9
115.03891	2.9
121.02830	2.1
123.04439	0.7
124.01640	0.9
125.02347	2.2
133.02858	9.5
135.04401	6.3
137.02350	5.0
139.03914	78.8
140.04292	3.7
151.00298	6.9
152.01067	0.8
161.02350	41.7
162.02730	1.6
165.01836	26.6
166.02161	0.9
178.99771	3.9
179.03410	4.3
183.02911	40.4
184.03233	2.1
191.05450	1.0
203.03447	1.0
241.05023	1.0
243.02980	0.9
257.04349	1.0
271.02570	1.7
285.03995	2.0
286.04733	0.9
289.07117	0.9
313.03494	1.3
314.04364	6.3
323.07660	8.8
324.08060	1.4
346.03302	5.5
403.33902	0.7
437.08768	11.9
438.08987	1.2
489.10400	14.6
490.10663	1.1
507.11426	100.0
508.11877	12.9
599.14661	1.9
643.13342	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	643.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01196	1.1
60.09800	0.4
61.98651	0.4
63.02221	1.1
65.00144	2.3
69.47665	2.5
69.48076	0.8
71.01202	0.6
71.82336	0.4
83.01199	1.3
88.98636	0.7
93.03270	1.3
93.66666	0.5
98.19800	0.8
101.02296	0.5
107.01277	5.0
108.02016	1.0
109.02760	1.7
110.57502	0.4
113.02229	0.7
121.02856	3.6
124.01476	0.6
125.02251	0.6
135.00728	0.9
135.04442	5.8
139.03838	0.9
148.01498	1.4
149.02299	0.7
151.00276	21.4
152.00613	0.7
153.01784	0.6
159.04396	0.5
161.02301	1.2
163.00238	2.3
163.03915	0.6
164.00880	0.6
165.01765	0.7
169.01300	1.2
173.04335	0.6
178.99786	10.5
179.03296	1.3
180.00134	0.7
187.03874	0.8
190.04895	0.4
191.05484	1.0
192.00490	0.5
193.01491	0.4
199.03865	1.2
201.05449	0.7
203.03398	0.5
211.03929	0.8
213.05467	0.5
216.04128	0.7
227.03461	2.8
229.04997	1.0
239.03404	0.4
243.02968	8.2
244.03452	0.4
245.04373	1.2
254.02179	1.8
255.02962	22.9
256.03366	2.4
271.02466	48.8
272.02902	5.4
273.03986	1.5
283.02444	1.6
285.03989	0.6
299.01996	3.7
300.02737	100.0
301.03482	90.4
302.03882	6.5
303.06161	0.4
313.03473	3.1
437.08905	0.6
452.27740	0.4
463.08826	92.0
464.09164	11.4
481.07739	20.5
482.08112	3.0
507.11200	0.5
610.01703	0.4
643.12921	6.4
643.22748	0.6
644.13721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.0
61.98709	2.0
68.75198	0.6
69.03329	0.8
70.13802	0.6
71.01250	1.9
71.04893	16.7
73.02816	1.3
74.06126	0.7
83.01276	1.2
85.02841	1.3
88.42478	0.6
88.98695	1.0
93.03368	1.5
95.04904	15.5
96.95984	0.6
97.02834	14.7
109.02818	1.5
113.02319	1.1
115.03892	3.7
121.02851	1.9
133.02855	11.6
135.04419	8.1
137.02319	6.8
139.03914	100.0
140.04218	3.7
141.55199	0.7
155.10695	1.1
161.02348	51.9
162.02750	3.2
165.01839	40.7
165.18591	0.7
166.02167	2.5
179.03435	6.9
183.02914	51.4
184.03264	2.7
191.05513	0.8
199.09726	0.9
203.03453	1.5
225.48990	0.6
229.49522	0.9
257.94266	0.8
271.02322	1.2
300.02817	2.1
301.03552	1.2
323.07724	16.1
324.08139	1.3
463.12805	1.0
489.10367	25.3
490.10788	4.0
507.11423	98.2
508.11691	14.4
538.32983	0.8
583.10022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.2
59.87267	0.6
61.98703	2.1
63.02271	1.4
65.00180	3.3
68.10308	0.6
70.34368	0.9
70.34695	1.3
71.01257	2.2
73.02829	0.8
83.01254	2.7
83.82655	0.5
84.27822	0.6
84.61179	0.5
85.02821	1.3
88.98673	1.0
89.02324	1.5
89.90813	0.5
93.03329	1.1
101.02312	1.6
107.01276	6.5
108.02058	0.7
109.02869	1.9
113.02335	0.8
121.02834	5.2
121.85955	0.5
125.02367	1.5
133.02875	0.6
135.04416	7.1
137.02353	1.3
139.03912	1.1
143.04599	0.9
148.01587	0.9
149.02309	1.1
151.00275	28.8
151.03873	0.9
152.00589	1.0
154.74869	0.7
155.10670	1.0
159.04457	0.7
161.02380	1.8
163.00290	2.1
163.03947	0.8
164.01027	1.3
165.01807	0.8
169.01314	1.7
173.04483	0.7
178.99780	13.5
179.03397	2.7
179.05562	0.9
180.00137	0.9
191.05556	1.5
192.00360	0.6
193.01248	0.7
199.03920	1.3
199.09769	0.7
211.03972	1.3
215.03548	0.8
226.68842	0.6
227.03461	2.3
229.04938	0.7
243.02954	7.1
243.10083	0.6
244.03665	0.7
245.04478	1.0
254.02264	1.7
255.02963	18.1
256.03433	1.8
271.02463	37.0
272.02863	4.3
273.04031	2.1
283.02505	1.4
285.03952	1.1
299.01968	9.0
300.02731	86.8
301.03485	100.0
302.03882	8.6
306.07556	1.1
313.03601	2.4
314.04089	1.0
315.05331	0.6
437.08838	2.0
438.08688	0.7
463.08807	64.0
464.09116	9.2
481.07755	48.5
482.08020	7.0
507.11688	1.3
643.12964	23.8
644.13159	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77295	5.7
57.27822	8.0
67.02636	6.1
69.46321	29.0
69.46754	23.1
71.01250	7.0
93.03334	27.8
96.44319	5.7
111.00762	7.6
115.56157	5.9
120.75724	6.1
123.04441	6.4
125.02351	8.4
126.71973	7.8
135.04413	47.3
136.04718	7.1
137.02298	12.8
173.04469	95.4
179.03419	73.2
188.90631	7.4
191.05547	72.5
228.02580	6.2
247.74625	6.0
289.07257	8.1
323.92477	6.8
335.13162	6.9
353.08807	100.0
354.09250	12.7
571.23352	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	643.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20057	0.3
55.01762	0.9
55.09384	0.3
57.03325	1.3
58.00466	2.0
59.01250	100.0
60.01586	1.2
61.98712	1.1
69.03326	1.2
71.01253	54.4
72.01604	0.9
72.99175	3.2
73.02818	31.7
75.00761	1.0
81.03326	0.7
83.01257	10.8
84.91057	0.3
85.02821	10.7
87.00756	2.6
89.02318	38.2
90.02650	0.5
93.03334	0.3
95.01269	3.4
96.95876	0.4
97.02843	1.1
99.00762	1.1
99.73909	0.3
101.02323	43.5
102.02686	0.8
109.02827	0.4
112.10458	0.4
113.02335	29.4
114.02651	1.0
119.03392	17.7
125.02338	2.2
128.17726	0.3
131.03384	5.1
136.05193	1.4
139.00266	0.3
143.03413	5.7
149.04463	4.9
151.88713	0.3
155.03415	1.0
161.02443	0.4
161.04475	10.9
165.01878	0.4
165.09099	1.1
165.17921	0.3
173.04457	0.6
177.02019	0.3
179.03246	0.4
179.03813	0.5
179.05521	9.2
191.05614	0.6
203.05482	0.6
212.73099	0.4
221.06627	1.0
237.18779	0.3
271.02762	0.4
499.13919	0.3
511.32181	0.7
583.31366	2.2
584.31329	0.6
601.32117	3.9
602.31970	0.6
643.36865	3.3
644.36816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00228	1.6
58.00462	5.6
59.01252	100.0
71.01254	66.5
72.99162	8.8
73.02805	1.9
74.48156	1.5
83.01265	3.7
83.04929	1.6
85.02810	12.1
85.06450	2.2
87.00754	4.2
89.02319	77.5
95.01263	5.5
98.02405	1.6
98.19751	2.9
101.02319	48.3
108.08076	5.4
109.06413	1.6
113.02337	25.4
114.02673	1.5
115.07417	1.4
119.03389	45.5
126.09190	7.3
130.06662	1.4
131.03410	5.3
138.09175	1.7
143.03413	6.9
148.36246	1.8
149.04460	5.5
156.10194	1.8
161.04488	5.6
171.10181	1.7
179.05504	17.6
180.05911	2.1
240.71819	1.7
255.23256	2.1
281.28503	14.6
282.28763	2.2
299.53659	1.7
309.28110	2.8
327.28940	7.4
338.82407	1.7
352.32166	4.5
436.37820	2.9
448.37781	3.8
466.38947	55.0
466.45432	3.4
467.39453	7.7
474.16003	1.8
484.40109	21.4
646.45410	91.9
647.45697	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	647.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55925	0.6
60.86829	0.7
64.48752	0.6
69.97644	3.2
69.97932	0.8
70.08223	0.6
71.01260	0.9
77.99964	0.7
90.58958	0.7
93.03336	1.4
98.20473	1.0
108.02062	1.4
109.02837	100.0
110.03157	2.5
125.02373	1.6
135.04419	0.8
137.02353	0.9
139.00253	0.9
161.02348	1.2
173.04509	1.3
177.01834	0.8
179.03445	0.7
191.03987	0.7
191.05470	4.2
214.62816	0.7
245.08157	0.8
253.08659	1.2
258.27908	0.7
289.07230	2.7
297.07669	0.9
313.09290	9.0
647.15320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88126	1.8
59.01236	4.3
61.98706	10.7
68.31340	1.6
71.52796	2.2
82.02859	3.8
84.60208	2.1
95.31344	1.8
96.95926	2.3
98.02337	2.4
106.06499	5.3
108.08062	6.8
122.05992	3.7
122.18797	1.7
134.06009	36.4
136.07561	2.2
145.05208	4.7
146.06062	2.3
148.07587	3.3
150.09201	1.9
159.09180	7.7
160.07593	23.2
161.06972	3.3
162.09123	3.8
167.40053	2.0
168.06593	3.9
174.09184	2.5
175.08600	3.4
176.07120	4.6
178.08644	11.7
185.86539	1.8
191.11797	7.0
201.06572	4.5
201.10228	4.1
205.09790	15.3
213.10233	3.1
217.09810	6.5
217.61057	1.8
241.09869	2.3
249.08858	2.5
255.11263	3.9
255.14981	7.1
259.10800	18.8
267.14990	8.3
279.14929	3.0
291.13492	4.0
321.16107	16.0
338.18735	3.5
348.17151	100.0
349.17496	13.3
350.18872	4.7
385.39246	2.0
402.18106	5.1
434.20813	2.3
436.22382	3.2
447.64236	1.9
456.32300	2.0
463.95486	1.9
486.39355	2.1
509.25687	2.3
527.26630	11.0
543.26062	4.2
553.23993	2.8
571.25751	14.4
572.25519	2.2
585.26855	2.9
603.28101	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	647.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	5.9
58.00455	2.2
59.01251	100.0
61.98692	4.1
69.03355	3.0
71.01254	68.6
71.04895	4.4
71.52956	2.7
72.01575	2.0
72.99180	5.6
73.02823	19.4
83.01254	8.2
83.94216	2.3
85.02824	26.5
87.00750	7.8
89.02315	34.6
95.01249	5.5
96.95877	6.9
97.02801	5.7
97.06419	1.9
99.00751	7.3
101.01705	3.1
101.02327	39.1
111.00752	2.1
113.02335	41.0
115.03913	2.4
115.11971	1.8
119.03410	11.2
121.02814	1.7
123.04380	2.7
125.02335	9.4
131.03398	3.3
135.04401	4.5
137.02328	3.5
139.03909	14.1
141.56342	1.7
143.03372	6.3
149.04459	2.8
151.00282	4.1
151.03912	2.6
155.10680	4.6
157.46390	2.0
161.04512	12.2
161.05663	2.3
165.01825	7.3
173.04449	4.8
177.01814	1.9
179.05464	5.8
183.02968	3.8
191.05502	2.7
199.09741	3.1
201.11183	2.4
230.97264	1.9
237.18478	2.3
255.02834	3.0
283.02438	11.6
283.10764	2.5
285.04172	4.9
289.07181	2.5
381.22708	5.9
395.71207	2.2
399.24265	12.1
437.07538	2.2
441.21088	7.3
523.26764	5.1
527.17572	5.4
543.28107	60.8
544.28168	9.8
561.29108	35.6
562.29431	5.6
597.22729	3.2
603.30121	5.6
647.15485	2.7
647.25647	2.3
647.36090	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	649.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42958	0.8
57.03327	0.8
59.01239	1.5
60.37292	0.8
60.99163	0.9
61.04637	0.8
67.01768	5.5
69.03307	1.4
69.58997	3.6
69.59412	1.7
71.01248	7.1
73.02814	1.6
81.98663	0.8
83.04876	1.4
85.02811	7.1
87.00735	2.8
89.02317	10.5
93.03331	32.6
93.03925	1.6
94.03649	1.2
98.19805	1.7
103.03864	0.8
107.04929	1.0
108.02041	2.1
109.02846	7.3
109.97403	0.8
111.00774	1.2
111.04416	4.9
115.00247	1.2
119.04916	16.1
121.02856	1.0
122.03581	0.9
125.02320	1.3
127.03917	1.9
131.03371	2.8
133.02815	1.8
133.06473	1.3
134.03600	2.7
135.04414	63.3
136.04735	2.2
137.02361	4.2
149.04454	41.9
150.04738	1.0
151.52066	0.9
155.03424	5.4
161.02353	4.9
163.03917	17.6
173.04468	100.0
174.04718	4.1
175.70988	1.0
179.03415	52.9
180.03783	1.8
191.05537	64.8
192.05865	2.0
226.06175	1.0
227.07045	2.3
239.07011	1.9
255.10228	22.6
256.10507	1.4
277.03467	1.0
281.08212	1.5
299.09219	3.5
311.07797	11.5
325.07217	1.7
329.23233	1.0
337.09158	4.3
343.08182	10.9
353.08743	26.8
354.09018	2.8
405.97171	0.8
473.14545	1.8
475.12604	7.8
517.13464	9.6
518.13916	1.6
552.06726	1.0
597.62097	0.9
631.16626	1.1
649.17688	35.3
650.17767	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	649.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04923	1.9
59.01270	3.6
67.01785	2.3
70.90842	4.3
70.91207	2.4
71.01270	7.3
85.02832	8.5
89.02319	11.5
93.03334	18.2
94.62691	2.1
108.02055	5.1
109.02837	9.4
111.04408	6.0
115.00268	2.9
119.04927	16.3
127.03901	2.6
131.03436	4.0
135.04396	15.5
137.02299	3.3
149.04454	82.8
155.03358	4.8
161.02306	3.8
163.03879	13.7
173.04468	100.0
174.04828	4.3
179.03421	16.6
191.05531	93.6
192.05772	3.3
225.85265	2.1
226.06328	4.3
227.07132	6.8
255.10280	37.5
256.10593	4.8
311.07730	30.2
337.09271	43.4
338.09586	4.7
343.08163	38.9
344.08505	3.5
344.50418	2.1
475.12253	5.3
517.13251	5.1
531.59229	2.5
649.17694	15.0
650.18256	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.8
59.01242	2.1
60.99170	0.6
62.33464	0.5
67.01751	4.1
69.03321	0.8
69.87099	2.6
70.75895	0.6
71.01250	6.2
73.02813	3.3
81.03326	0.8
85.02835	2.4
87.00761	1.9
89.02319	18.0
93.03334	22.5
94.03722	0.6
100.91977	0.5
103.03883	1.3
108.02084	0.8
109.02849	2.9
111.00762	0.9
111.04403	3.7
115.00253	1.4
119.04910	9.5
126.46643	0.6
127.03918	0.8
131.03381	4.2
133.02869	1.7
134.03648	2.4
135.04413	23.7
136.04761	0.8
137.02330	3.5
149.04459	100.0
150.04782	2.1
155.03403	3.4
161.02364	2.8
163.03917	12.1
164.04228	0.6
173.04471	77.5
174.04842	2.4
177.06528	0.7
179.03429	18.4
180.03763	0.9
191.05547	30.3
192.05865	1.2
226.06314	0.8
227.07094	3.3
255.10262	7.1
311.07727	25.5
312.08020	1.8
337.09271	20.4
338.09747	1.4
343.08145	6.3
375.27609	0.7
438.32782	0.8
517.13440	1.7
649.17291	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23272	1.7
55.13759	1.7
57.03308	2.4
59.01250	81.6
61.98697	4.1
69.03335	1.8
71.01254	14.0
72.99171	3.4
73.02819	17.0
83.01236	4.5
83.04865	2.4
85.02824	14.8
87.00740	5.2
89.02309	7.2
93.03329	2.8
94.30428	1.9
96.95866	2.7
98.19668	3.6
99.00731	2.0
99.04365	2.0
101.02328	13.5
103.03893	2.8
106.73244	1.8
109.02831	3.8
111.04397	2.7
113.02326	8.1
125.02337	6.0
134.05975	2.8
135.04372	2.2
137.02321	3.2
143.03395	2.9
155.10725	2.9
161.04428	3.9
162.05489	2.4
173.04462	6.2
180.53989	1.8
186.49992	1.7
191.05501	3.2
197.05962	6.1
209.11674	2.7
210.03033	2.8
215.30212	1.9
225.05516	58.6
226.05798	5.2
238.02652	8.0
240.07884	57.6
241.08223	4.8
253.05038	31.8
254.05322	2.8
255.10251	100.0
256.10632	9.7
267.06616	3.3
268.07410	45.4
269.07669	5.4
283.09747	77.9
284.10178	9.3
289.07043	2.6
305.08731	2.1
323.09760	5.5
463.08401	2.4
517.18018	5.2
563.21326	16.3
565.86340	2.2
605.22284	3.8
605.35852	3.3
649.21893	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	651.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98692	0.3
59.25433	0.4
63.50025	0.4
66.66077	0.4
69.70577	2.1
75.55107	0.4
92.19568	0.4
97.05306	0.4
105.72269	0.4
107.01295	0.8
108.02041	1.0
119.35114	0.4
121.02816	0.4
135.00809	0.6
148.01578	0.9
151.00291	2.4
163.00272	0.4
164.01044	0.7
178.99756	2.9
199.03925	0.7
226.02660	0.9
227.03384	1.9
243.02936	6.7
244.03317	0.8
254.02103	2.0
255.02969	18.9
256.03287	1.3
271.02475	45.1
272.02927	4.8
299.01971	1.7
300.02740	100.0
301.03204	10.0
310.30936	0.3
331.41302	0.4
445.08490	0.5
467.57541	0.4
487.08984	0.5
524.52533	0.4
546.98242	0.4
609.14490	1.2
610.14508	0.4
651.15680	34.2
652.15863	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05478	0.2
59.01242	1.5
63.02268	0.4
63.91150	0.2
65.00190	0.5
69.68718	0.8
69.69121	0.5
71.01268	0.7
72.99207	0.3
73.02826	0.6
81.03439	0.2
81.07928	0.2
81.58855	0.2
83.01240	0.2
85.02829	0.7
85.85233	0.2
89.02328	0.3
91.01763	0.3
93.03332	0.4
96.95907	0.2
101.02316	0.4
107.01276	1.0
108.02077	1.0
113.02290	0.3
121.02856	0.4
124.01510	0.3
125.02333	0.4
135.00790	0.8
137.02280	0.3
148.01579	1.4
151.00266	3.7
153.01872	0.3
153.09100	0.2
155.10719	0.9
163.00276	0.7
164.01059	0.6
165.01906	0.2
169.01370	0.4
173.04521	0.4
178.99808	2.9
190.04991	0.3
191.05527	0.6
199.03928	1.1
199.09726	0.7
201.01974	0.3
203.03386	0.4
207.02925	0.2
211.03995	0.6
215.03435	0.8
216.04150	0.6
226.02588	1.7
227.03468	2.5
228.03781	0.5
239.11804	0.3
243.02954	9.6
244.03435	1.0
254.02242	1.5
255.02963	22.9
256.03366	1.8
271.02475	53.9
272.02893	4.9
273.03967	0.3
283.10886	0.9
299.01984	2.5
300.02737	100.0
301.03238	10.9
309.08679	0.6
327.09903	0.8
371.08746	0.7
385.22226	0.3
403.11514	1.8
403.23337	1.4
505.09766	0.3
607.18066	0.6
609.14539	1.6
610.14606	0.3
651.15637	54.4
652.15961	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	651.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
59.01246	2.8
62.01864	0.4
63.02276	0.5
64.51144	0.4
65.00199	1.8
69.03333	0.4
69.29894	3.2
71.01255	2.4
73.02812	1.9
83.01254	1.2
85.02829	1.3
87.00764	0.4
87.04415	0.5
89.02313	1.0
93.03315	0.8
95.01273	1.2
96.95918	0.7
97.02843	1.1
97.06493	0.7
99.00745	0.4
99.04425	0.6
101.02312	1.2
107.01267	1.8
108.02092	0.9
109.02824	0.7
109.06494	0.6
109.99978	6.6
111.00784	1.9
111.08015	0.5
113.02322	1.0
117.03320	0.6
121.02871	0.7
122.02356	0.7
123.00775	1.1
123.04414	0.5
123.08034	0.3
124.01572	0.6
125.02355	1.3
125.05964	0.7
125.09629	0.3
133.02859	0.3
135.00778	0.8
136.98715	1.9
137.09624	1.4
137.99509	3.2
139.00276	7.1
139.07596	0.5
141.01846	0.5
141.99077	0.6
143.03349	0.4
145.02908	0.6
148.01552	1.5
149.02310	0.6
151.00273	5.5
152.00983	1.2
153.01837	0.4
153.09119	0.5
155.04922	0.6
155.10680	9.0
159.04372	0.5
163.00281	0.7
164.01053	0.6
164.98167	0.7
165.98991	9.6
166.99777	4.3
169.01312	0.8
169.08633	1.2
171.04436	0.9
172.05023	0.4
173.04434	0.6
174.03009	0.4
175.09662	3.8
178.99802	4.7
183.04424	1.5
185.00764	0.8
187.03905	1.1
191.05600	1.0
192.00586	0.5
193.98436	1.8
194.99274	1.1
197.02563	0.4
198.03084	1.4
199.03975	2.6
199.09698	6.7
200.04657	0.6
201.05518	0.5
203.12743	0.8
206.99292	0.8
211.03915	1.4
213.01913	0.5
215.03461	2.4
216.04208	1.1
225.02028	0.5
226.02705	2.2
227.03465	8.4
228.04021	1.6
229.04872	0.6
233.13925	1.8
239.03406	0.5
241.10789	0.6
243.02954	23.3
244.03436	2.5
245.04512	0.6
254.02248	3.2
255.02969	36.6
256.03403	3.6
257.04297	0.6
270.01669	0.6
271.02472	68.4
272.03091	13.3
273.03729	1.1
282.01627	0.8
283.02484	6.3
284.02927	1.1
285.03891	1.7
287.01764	0.4
298.01083	0.5
299.02005	5.9
300.02731	100.0
301.03333	18.4
302.03882	1.4
304.02240	0.8
314.04291	1.0
315.05008	0.6
324.05118	0.5
343.04123	0.4
361.15097	0.7
385.22461	0.8
403.16376	0.8
403.23337	3.7
445.07520	0.3
447.16733	0.4
487.08835	1.2
505.10068	0.6
506.10199	0.4
541.12238	0.8
591.13342	0.4
607.29077	0.7
609.14594	1.1
623.16003	0.9
625.33856	0.4
633.15686	1.2
651.15625	95.6
652.15912	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	651.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05478	0.2
59.01242	1.5
63.02268	0.4
63.91150	0.2
65.00190	0.5
69.68718	0.8
69.69121	0.5
71.01268	0.7
72.99207	0.3
73.02826	0.6
81.03439	0.2
81.07928	0.2
81.58855	0.2
83.01240	0.2
85.02829	0.7
85.85233	0.2
89.02328	0.3
91.01763	0.3
93.03332	0.4
96.95907	0.2
101.02316	0.4
107.01276	1.0
108.02077	1.0
113.02290	0.3
121.02856	0.4
124.01510	0.3
125.02333	0.4
135.00790	0.8
137.02280	0.3
148.01579	1.4
151.00266	3.7
153.01872	0.3
153.09100	0.2
155.10719	0.9
163.00276	0.7
164.01059	0.6
165.01906	0.2
169.01370	0.4
173.04521	0.4
178.99808	2.9
190.04991	0.3
191.05527	0.6
199.03928	1.1
199.09726	0.7
201.01974	0.3
203.03386	0.4
207.02925	0.2
211.03995	0.6
215.03435	0.8
216.04150	0.6
226.02588	1.7
227.03468	2.5
228.03781	0.5
239.11804	0.3
243.02954	9.6
244.03435	1.0
254.02242	1.5
255.02963	22.9
256.03366	1.8
271.02475	53.9
272.02893	4.9
273.03967	0.3
283.10886	0.9
299.01984	2.5
300.02737	100.0
301.03238	10.9
309.08679	0.6
327.09903	0.8
371.08746	0.7
385.22226	0.3
403.11514	1.8
403.23337	1.4
505.09766	0.3
607.18066	0.6
609.14539	1.6
610.14606	0.3
651.15637	54.4
652.15961	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	653.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
58.47622	0.3
59.01257	6.0
59.99231	0.3
61.98683	0.9
63.02274	0.7
65.00204	0.5
67.33285	0.3
69.03338	0.4
69.23882	3.5
71.01251	2.7
73.02809	1.4
75.00743	1.0
80.27209	0.3
83.01249	0.9
83.04903	0.4
83.91171	0.3
85.02831	1.4
87.00753	0.8
88.98707	0.3
89.02320	0.9
93.03333	0.8
95.01273	0.6
95.04935	0.4
96.95883	0.4
97.02842	0.7
101.02325	1.5
107.01241	1.2
107.04906	0.4
109.02837	1.4
113.02322	1.0
115.07511	0.3
116.92757	2.0
118.97959	1.5
119.03365	0.4
121.02847	0.4
122.05968	0.4
125.02327	0.9
133.02855	3.1
133.21083	0.3
135.04434	2.9
136.04738	0.4
137.02321	0.5
143.04950	0.8
151.00340	1.7
151.03900	0.3
152.00917	0.4
155.04868	0.4
155.10701	2.2
157.02881	0.6
159.04411	0.4
161.02339	0.7
161.04427	0.5
166.02631	1.0
167.03337	0.6
171.04414	2.4
173.02333	0.6
173.04448	1.2
175.02498	0.5
175.03947	1.3
177.01755	0.6
179.03424	2.3
180.03806	0.6
181.05072	0.7
182.57709	0.3
183.04445	0.5
187.03929	1.5
188.15526	0.3
191.05531	4.4
198.03136	0.5
199.03934	4.7
199.09660	1.4
200.04292	0.4
201.01909	1.6
203.03470	0.6
215.03458	2.7
226.02600	1.0
227.03516	2.5
242.02156	0.6
243.02933	3.1
244.03157	0.4
255.02930	0.4
271.02484	40.1
272.02869	3.2
299.01959	100.0
300.02319	9.0
317.16132	0.8
341.08429	0.3
353.08777	2.3
491.15414	0.6
491.22403	0.5
524.12006	0.4
648.02350	0.4
653.31238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50270	1.3
55.01751	6.2
57.03320	3.3
58.00428	1.7
59.01254	68.3
61.98694	3.1
69.03321	3.6
70.84756	1.6
71.01262	38.0
71.01627	3.2
72.99177	8.1
73.02833	7.9
75.00756	4.4
81.03347	3.6
83.01265	5.1
83.04888	2.5
85.02822	12.1
86.56577	1.4
87.00759	4.6
89.02319	17.2
93.03370	2.5
96.95879	1.6
97.02829	5.9
99.00771	6.2
99.04345	1.7
101.02328	18.8
109.02871	2.9
111.00716	1.5
113.02327	9.4
115.03855	1.9
116.92747	3.0
117.01817	1.7
119.03376	3.8
125.02337	29.2
131.03380	6.9
135.04364	2.7
137.02342	2.9
143.03404	6.6
146.25301	1.5
149.04474	2.2
151.03923	2.6
155.10739	2.2
161.02396	2.6
161.04428	2.2
165.26813	1.5
171.08093	3.0
173.04482	4.4
174.01694	2.6
191.05562	4.2
197.06056	8.5
199.07567	6.1
199.09233	1.4
201.05424	4.0
206.53288	1.5
209.11826	2.0
214.06215	2.4
215.07062	10.9
224.04785	1.6
225.05525	33.9
225.07584	2.9
226.05983	1.6
233.06616	5.7
243.06595	72.6
244.07016	7.2
258.08951	100.0
259.09320	7.0
273.11319	94.0
274.11575	7.7
275.07819	17.8
285.07672	3.0
293.08780	10.0
300.02524	3.3
300.09903	7.3
301.03180	1.9
315.12445	22.6
316.12784	2.8
331.24731	2.3
335.09830	9.7
387.14615	2.2
419.97672	1.6
431.14777	1.7
447.16693	9.7
449.25751	2.8
459.07175	1.7
475.29260	8.8
493.30121	2.1
517.30096	5.7
535.31531	2.6
549.19818	21.6
550.20062	2.5
567.21130	13.2
568.21021	2.1
609.21613	7.8
653.31842	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	653.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.0
69.30161	2.3
69.30865	0.3
71.01255	2.1
73.02823	0.6
75.80953	0.3
81.03322	0.5
85.02808	0.6
87.29765	0.3
88.98669	0.5
89.02326	0.4
90.87063	0.3
93.03326	0.7
93.45241	0.4
95.01257	0.7
98.20573	0.5
101.02323	0.9
104.90056	0.3
107.04848	0.3
108.02087	0.5
109.02817	0.9
113.02310	1.2
119.35022	0.3
121.02830	1.0
122.03634	2.3
125.02325	0.6
137.02417	0.4
149.02328	0.6
151.03958	1.4
153.01877	0.3
155.10622	0.4
158.07292	0.4
158.48042	0.3
161.04466	0.9
178.99800	0.6
186.06587	0.3
191.05504	0.3
201.09100	1.4
215.32796	0.4
227.07080	21.1
228.07712	2.6
243.10234	100.0
244.10556	8.3
267.10153	0.3
271.02444	1.1
285.11313	0.5
299.01935	1.6
315.01624	0.3
329.03052	0.8
347.04102	0.5
387.14432	4.6
388.14929	0.6
405.15527	7.1
406.15787	0.7
447.16556	12.8
448.16861	1.6
479.92108	0.4
578.97778	0.3
611.27557	0.3
653.15070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03311	1.0
58.00473	1.9
59.01251	39.4
61.98695	0.5
64.38986	0.3
68.99706	0.5
69.03331	2.5
71.01254	39.0
72.01581	0.5
72.99176	3.7
73.02817	6.4
73.18990	0.3
75.00732	0.9
77.39547	0.4
78.60670	0.3
81.03335	1.6
83.01254	3.7
85.02353	0.7
85.02826	8.4
85.99947	0.4
87.00232	0.5
87.00757	9.1
89.02319	34.5
90.02664	0.5
91.03880	0.7
93.03271	0.5
95.01278	2.8
97.02829	6.4
99.00773	2.4
99.04398	0.5
101.02325	29.1
102.02673	0.5
109.02837	0.7
111.00756	0.9
111.04397	1.0
113.02329	14.9
115.03921	1.0
119.03385	9.9
121.02849	0.7
124.01536	0.4
125.02338	13.6
127.03880	0.7
131.03384	1.4
133.04945	1.3
139.03877	1.4
141.01837	0.4
143.03410	7.0
149.02382	0.7
149.04445	1.3
155.03398	0.4
161.04468	6.4
167.03391	0.9
169.04938	0.5
171.03040	0.4
172.41954	0.3
179.05534	7.1
185.04524	0.6
199.06123	0.7
203.05490	0.7
217.07097	1.1
219.04890	0.4
221.06686	2.3
235.08192	15.5
236.08623	0.6
237.22166	0.5
245.06691	1.0
253.09294	3.7
255.23268	100.0
256.23627	9.7
263.07825	1.6
269.24643	0.6
277.09271	1.1
287.07764	3.7
305.08777	4.9
323.09814	2.0
347.62222	0.3
361.11429	0.7
379.12424	1.3
397.13501	86.0
398.13876	8.5
415.14575	32.5
416.14871	3.7
653.36884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
57.03321	0.8
58.00472	1.8
59.01252	40.3
60.01601	0.4
61.98709	3.5
66.97073	0.2
67.01765	0.3
68.99696	0.5
69.03336	2.2
71.01254	38.9
72.01596	0.7
72.99184	3.1
73.02819	6.0
73.83280	0.2
75.00759	1.2
80.61607	0.2
81.03338	2.0
83.01260	5.1
85.02821	8.2
86.03204	0.2
87.00755	9.1
89.02319	31.8
90.02695	0.6
91.03895	0.8
93.03339	0.4
95.01270	2.5
95.04893	0.4
97.02828	6.3
99.00746	2.2
99.04394	0.4
101.02324	31.9
102.02678	0.4
103.00257	0.4
103.03933	0.3
107.52908	0.2
109.02846	0.8
111.00759	0.8
111.04431	1.2
112.01588	0.2
113.02331	14.5
114.02641	0.5
115.03895	0.5
119.03390	10.8
121.02864	0.6
123.00823	0.4
123.04462	0.4
124.01588	0.4
125.02334	12.3
126.02721	0.4
126.09228	0.2
127.03901	0.5
131.03398	1.9
133.04953	1.1
137.02365	0.4
139.03922	0.8
141.01831	0.8
143.03400	6.1
149.04410	1.3
157.05063	0.2
161.04462	6.7
162.04755	0.3
167.03406	0.7
169.04994	0.7
171.02861	0.4
179.05536	6.8
185.04445	0.7
199.06036	0.7
203.05527	0.7
217.07147	1.0
219.05045	0.4
221.06619	2.3
235.08188	13.4
236.08565	0.6
237.22102	0.4
240.85301	0.2
245.06644	0.8
245.45377	0.2
253.09248	3.4
255.23267	100.0
256.23615	9.8
263.07764	1.4
269.24881	0.6
277.09283	1.3
279.23395	0.3
287.07706	3.2
288.08173	0.3
305.08774	4.0
323.09805	1.9
361.11337	0.7
364.74490	0.2
379.12326	1.3
397.13489	83.8
398.08521	0.3
398.13861	7.6
415.14575	32.6
416.14847	3.8
465.75256	0.2
550.41711	0.3
653.37653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69080	0.1
59.01251	1.0
61.98704	100.0
62.12462	0.1
62.98420	0.2
71.50910	0.2
71.51273	0.2
173.16620	0.2
209.11682	0.9
211.13441	0.5
223.13263	0.3
309.20862	0.2
326.06345	0.2
397.17209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05748	1.8
54.51210	1.7
59.01248	10.0
61.98691	6.8
63.02275	2.8
63.08176	2.3
65.00193	6.9
67.01766	2.2
71.01241	7.0
71.40440	3.3
73.02808	3.5
83.01254	6.1
83.68558	1.9
85.02820	3.7
87.00759	4.2
89.02330	2.7
92.99715	2.2
93.03320	2.6
93.17569	1.9
95.01269	7.9
95.54400	1.9
99.00753	4.2
99.69097	1.9
101.02298	4.2
107.01286	8.8
108.02058	3.3
109.02837	4.5
110.00022	4.0
110.10252	2.1
111.00771	19.9
113.02316	3.4
121.02831	2.0
121.05324	2.1
123.00756	8.0
123.04385	2.3
124.01527	3.9
124.98778	2.8
125.02302	6.0
133.02870	2.4
135.00760	3.0
135.04387	3.5
136.98714	2.6
137.02335	3.2
139.00272	23.2
141.01808	3.8
145.02853	4.0
148.01505	3.8
149.02296	2.4
149.99460	2.8
151.00294	30.1
151.01413	4.4
152.01012	5.8
154.99760	6.0
158.03709	2.4
159.04446	3.9
161.02367	6.3
163.00264	9.4
163.03938	2.4
164.01076	4.3
164.98184	5.1
165.01816	3.0
165.98958	3.8
166.99734	6.6
169.01364	4.8
169.02827	2.1
170.03581	2.5
171.04355	3.9
173.02380	3.6
174.03165	4.8
175.00264	3.5
175.03920	6.6
176.98268	3.1
177.01785	4.0
177.98964	4.2
178.99765	18.0
179.03339	3.4
185.02379	4.1
186.03148	6.3
187.03906	14.8
188.01074	3.0
189.01817	8.5
190.02637	3.9
190.99753	3.5
191.03464	3.0
191.05394	2.4
192.00574	3.2
194.99286	3.1
197.02379	3.7
198.03163	5.8
199.03972	4.1
201.01848	5.2
202.02661	7.5
203.03494	16.9
204.04131	4.3
205.01369	3.3
206.99359	3.7
209.00941	2.8
213.01863	6.5
214.02689	12.7
215.03442	11.6
216.04138	3.3
217.01357	6.7
217.04944	3.0
219.02899	5.1
226.02736	3.8
227.03481	10.4
229.01367	7.7
229.05046	5.7
230.02190	11.0
231.02948	10.7
232.03728	22.4
233.04314	4.1
241.01418	7.2
242.02127	16.1
243.02939	15.7
244.03604	6.3
245.00865	6.0
245.04443	5.5
247.02299	2.7
247.06146	12.8
255.02882	16.3
257.00919	20.0
257.04590	7.6
258.01584	13.0
259.02463	21.1
260.03137	6.1
261.00385	9.3
261.03912	4.5
262.01108	2.3
269.00916	6.4
270.01712	13.0
271.02390	18.3
272.03064	7.1
273.03992	4.6
274.01221	4.1
274.04807	3.3
275.02005	4.2
275.05362	2.4
284.03323	18.8
285.00430	7.6
285.03998	45.8
286.01260	27.0
287.01923	30.3
288.02545	3.8
289.03412	3.2
290.04242	2.9
297.00449	7.2
299.01950	7.7
300.02634	7.9
301.03574	21.6
302.04196	14.8
303.01398	16.3
303.05054	19.9
304.01950	3.1
304.05463	2.4
313.03430	6.0
314.00681	7.4
314.04315	4.6
315.01385	11.2
315.04776	4.8
316.02060	3.2
318.03650	4.2
319.04465	3.4
329.02979	100.0
330.03586	18.6
331.00870	13.9
331.04562	28.7
332.01477	3.2
346.03278	18.1
347.04102	12.5
475.08820	3.8
515.14087	2.8
543.13348	3.2
555.17078	10.1
556.17206	2.8
593.14893	28.3
595.12854	4.1
611.16443	10.5
612.17120	2.9
623.12830	15.0
624.12598	2.2
627.15259	8.3
637.14008	12.0
655.15149	62.3
655.32965	3.4
656.15710	14.1
679.67810	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	14.8
61.98708	4.7
63.02253	5.0
65.00201	17.3
71.01250	9.4
73.02814	3.8
75.00737	2.8
78.80628	2.3
83.01254	8.9
85.02809	5.7
87.00741	5.3
89.02302	2.6
95.01253	8.5
99.00748	5.7
101.02331	5.1
107.01263	16.4
108.02039	3.9
109.02831	3.9
109.99972	2.8
111.00753	21.3
113.02300	2.5
121.02816	3.1
123.00777	13.4
123.04416	5.9
124.01505	3.6
124.98690	3.1
125.02325	6.0
132.02055	3.0
133.02773	3.1
133.99872	2.9
135.04396	5.7
136.98749	4.3
137.02315	7.0
137.99548	3.2
139.00256	27.0
145.02898	5.6
147.00702	4.3
147.04480	3.8
148.01505	4.4
149.60388	2.6
149.99477	8.1
151.00264	61.9
152.00938	8.4
153.01817	3.9
154.99710	3.1
158.03664	3.1
159.04384	6.5
161.02342	6.9
163.00298	4.4
163.03941	2.9
164.98193	5.1
165.01845	4.7
165.98938	3.6
166.99825	5.7
169.01302	5.0
171.04456	4.3
173.04489	3.1
174.03117	6.8
175.03900	10.7
177.01842	3.0
177.98952	10.9
178.99774	60.2
179.03448	6.5
180.00270	3.0
185.02403	3.2
186.03166	6.1
187.03897	10.0
189.01871	6.9
191.05479	7.2
193.01357	5.0
194.99315	3.9
198.03091	3.9
199.03914	5.2
201.01834	4.1
202.02571	7.3
203.03407	14.2
204.04170	7.0
206.99315	10.7
208.00000	2.8
209.00816	5.7
213.01877	5.5
214.02623	9.3
215.03406	9.5
216.03876	2.9
217.01433	7.9
217.05009	6.1
227.03404	3.6
229.01349	6.2
230.02147	9.3
231.02937	16.7
232.03688	4.2
241.01465	5.4
242.02269	18.0
243.02890	26.6
244.03508	2.8
245.00864	4.9
246.01845	3.7
247.06096	15.7
255.02939	9.4
257.00952	17.9
257.04575	4.1
258.01666	13.3
259.02420	22.0
260.02966	5.3
261.00397	9.8
261.03906	3.7
269.00854	5.8
270.01581	14.1
271.02454	32.0
272.02994	6.8
273.03949	4.8
274.01306	6.2
275.05734	3.6
284.03467	3.2
285.00790	4.4
285.03934	21.4
286.01218	19.3
287.01984	21.3
297.00430	10.3
298.01114	4.6
299.01993	11.0
300.02829	16.4
301.03433	26.7
302.00858	2.9
302.04193	9.7
303.01401	6.8
303.05106	20.4
304.05533	2.6
313.00272	2.9
313.03625	9.1
314.00568	8.4
314.04218	9.1
315.01346	7.1
315.04999	9.4
316.01837	4.0
317.02975	4.2
318.03711	5.3
328.99219	4.9
329.03030	78.5
330.03531	10.3
330.14099	2.9
331.04510	7.2
345.02704	3.3
346.03070	12.8
347.03986	16.3
505.11395	3.1
543.13745	5.8
555.17365	3.5
573.57587	3.0
609.14252	3.8
611.16241	6.5
623.12646	4.2
627.15192	4.7
637.13916	9.4
638.14655	3.9
655.15143	100.0
655.32800	5.8
656.15002	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	655.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	17.5
59.01251	28.4
61.98683	4.6
62.28627	2.0
65.04417	2.7
65.65231	1.8
69.70875	9.3
71.01256	14.5
72.99184	3.3
73.02828	7.6
75.00756	3.3
76.89072	1.9
81.03341	3.9
83.01272	6.1
85.02840	5.1
87.00768	5.5
89.02322	8.9
93.03332	5.8
95.01273	2.7
96.95893	3.8
97.02832	3.4
99.00760	2.7
99.04387	5.5
101.02325	6.8
108.02039	2.3
109.02843	15.1
111.00789	3.0
113.02354	6.3
116.92757	6.0
117.01853	2.1
117.03336	2.5
117.77587	2.0
119.75933	1.9
121.02841	4.5
121.06516	2.8
123.04400	12.7
125.02335	100.0
126.02657	2.4
133.02905	2.9
135.04417	19.3
137.02332	9.9
137.09567	2.5
139.03839	2.9
145.02838	3.6
147.04422	4.6
147.10542	2.2
149.02344	6.6
149.04439	6.3
150.03152	3.2
151.00311	2.8
151.03920	9.8
155.10693	28.1
156.11047	3.0
161.02344	18.0
161.04453	3.3
161.05948	2.7
161.59399	2.5
162.03076	2.8
163.03909	6.4
163.07545	2.5
164.01062	7.1
164.04659	4.6
165.01826	5.8
165.05507	3.5
167.03413	24.2
173.02357	4.9
173.04417	12.4
174.03040	3.8
175.03902	21.3
177.01877	5.7
179.03418	19.0
181.04991	2.8
187.03972	3.5
189.05457	4.2
191.05533	4.4
199.03896	4.7
199.09708	19.9
201.01872	6.2
202.06282	2.6
203.03407	4.5
203.07071	3.4
205.04979	2.5
205.08630	7.8
207.06548	7.6
212.04773	4.6
213.05504	4.9
217.08711	2.6
221.04158	2.9
227.03488	4.9
229.05112	2.4
231.03024	2.6
231.06528	4.1
239.03365	2.2
241.05151	3.3
243.02818	3.6
249.05534	5.5
249.07806	3.0
251.03337	2.6
252.04222	2.8
253.05089	3.3
255.03021	6.8
256.03610	2.7
264.04324	2.7
265.05014	5.9
267.06812	2.1
269.04388	2.9
271.02621	5.2
271.06107	2.4
272.02930	2.7
278.05414	2.9
279.06500	2.7
279.10120	2.3
281.04605	7.4
283.06171	3.5
285.04117	3.2
289.07281	2.6
291.06738	3.4
294.05170	2.8
297.04160	4.2
297.11380	6.5
299.02222	3.7
300.02643	7.2
308.03195	2.6
309.04016	5.8
309.11288	3.0
317.04440	5.0
319.06042	3.2
321.11417	2.8
323.09207	6.3
324.09485	2.7
325.10739	3.5
327.12396	3.4
331.10162	2.5
331.14005	6.1
337.10623	5.7
339.12439	3.1
349.10724	3.3
353.10080	2.6
357.14929	4.7
361.10852	3.1
363.08966	4.6
365.10202	5.6
367.07687	2.9
367.11902	34.0
368.12643	2.5
377.10272	24.8
378.10727	4.6
387.12698	2.6
405.13599	4.6
406.10535	3.0
407.11423	5.3
419.03891	4.3
441.13477	7.7
486.12750	2.4
487.13828	19.6
492.18069	3.7
493.19141	11.4
503.13440	33.0
504.13843	7.3
529.15070	71.0
530.15546	11.3
581.09088	6.2
593.17993	21.9
594.18347	2.5
611.19434	3.6
637.16931	5.8
655.18408	23.0
655.33008	16.4
656.17896	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	655.3701
Annotation	Russelioside A
Peak:m/z	Relative Intensity
57.03333	1.5
57.81588	0.3
59.01255	2.2
61.98685	0.9
69.03333	0.7
71.01263	1.1
73.02812	0.5
83.04897	0.4
84.00550	0.3
85.02840	0.9
87.00751	0.8
89.02347	0.4
93.95705	0.3
97.02843	0.3
99.04439	0.7
101.02316	0.7
107.04919	0.3
111.04444	0.6
113.02356	0.4
116.38345	0.3
119.03410	0.3
121.06470	1.7
122.03643	1.5
123.04406	0.4
123.08059	0.3
135.04436	2.5
136.05202	46.9
136.14474	0.3
137.05531	1.6
147.08058	1.1
148.05235	0.9
149.05986	8.6
150.06783	4.2
151.07466	0.6
153.05476	0.3
153.09142	0.8
155.10693	0.4
157.08607	0.8
162.06789	3.1
163.07550	1.1
164.04860	0.3
164.08316	5.2
165.09129	21.8
166.09435	1.1
169.12244	0.6
171.10117	0.4
177.09155	0.5
179.07074	0.5
211.13219	0.3
230.28596	0.3
256.41843	0.3
263.20181	0.8
266.14127	0.4
279.23480	0.4
281.21207	1.6
318.35773	0.3
327.17819	0.4
327.21768	7.8
328.22308	0.9
363.71811	0.3
389.10971	0.3
401.27130	0.4
414.27625	1.0
418.17139	0.3
429.30106	2.0
430.30502	0.7
431.31772	0.4
432.28708	4.5
433.29211	0.6
443.89294	0.3
446.30258	1.1
447.31143	18.2
448.31546	3.1
449.32803	1.3
459.66913	0.3
474.29758	1.1
475.30664	3.0
476.30939	0.8
492.30923	3.4
493.24149	0.5
493.31711	33.7
494.32086	5.3
655.36981	100.0
656.37317	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	656.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
61.98704	100.0
65.00191	0.5
70.64928	0.4
71.53401	0.4
80.94794	0.3
83.01233	0.6
83.33591	0.4
89.02363	0.5
95.01318	0.4
95.25278	0.4
100.75995	0.3
107.01252	0.5
109.02848	0.6
111.00770	0.8
125.02354	0.9
130.07001	0.4
132.02063	0.8
151.00259	2.0
155.10689	0.9
161.02371	0.6
163.00287	0.6
164.01070	0.5
178.99872	2.2
179.03384	0.4
187.03784	0.5
191.05553	0.9
199.03816	0.5
199.09689	0.5
211.03993	1.2
227.03456	23.5
228.03842	2.2
229.05029	0.6
239.03462	0.6
243.02986	0.5
255.02971	42.6
256.03488	5.5
257.04453	0.9
259.02475	0.5
269.04538	0.5
271.02377	0.4
283.02435	0.9
284.03256	67.7
285.03857	11.7
286.04013	0.5
287.01886	0.7
301.03302	0.4
306.25497	0.4
327.05124	0.5
429.08115	0.9
455.51114	0.4
469.28006	0.5
593.15106	61.4
594.15424	11.7
656.15448	1.3
657.13904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	31.2
65.00193	24.1
67.01775	7.6
69.03320	5.9
70.56348	4.7
71.01241	19.6
72.83665	4.8
72.99174	5.8
75.00742	5.3
83.01254	11.7
87.00729	8.3
93.03335	11.6
95.01266	18.8
99.00755	15.7
106.85184	4.9
107.01257	17.6
109.02825	28.1
110.00019	6.2
111.00766	27.9
121.02828	12.5
123.00808	24.6
124.01520	5.5
124.98656	4.9
125.02321	20.2
127.00231	8.0
133.02875	9.9
136.45570	4.6
136.98666	5.8
137.02342	20.1
139.00287	35.5
139.85959	5.8
141.01819	7.3
143.04959	5.3
145.02806	7.0
146.03616	5.5
147.00729	5.0
147.04462	9.2
148.01599	14.3
149.02342	14.5
149.99443	6.7
151.00256	43.7
152.01057	7.4
153.01839	9.4
154.99777	50.3
159.04393	8.2
161.02332	19.9
163.00261	14.2
163.03926	9.4
164.00992	9.7
164.98193	9.4
165.01852	21.9
165.98940	7.2
166.99756	35.9
169.01407	7.2
171.04413	11.5
173.02399	10.9
173.04396	5.9
175.00264	4.7
175.03941	12.4
177.01837	32.2
178.99733	40.7
180.00272	7.4
181.01340	20.1
181.98424	7.3
182.99258	8.9
184.00043	10.7
185.00902	6.4
187.03969	25.4
189.01863	18.8
190.99712	6.5
191.03465	15.9
191.05502	9.3
192.00529	8.5
193.01358	10.9
193.98517	6.1
194.99284	29.7
195.02911	5.7
197.00793	5.4
197.02425	7.8
198.03194	5.9
199.03972	7.0
201.01871	13.5
203.03406	22.1
205.01411	12.4
206.99251	7.7
213.01892	18.7
214.02657	8.5
215.03403	26.5
216.04144	5.7
217.01312	10.6
219.03035	9.3
225.07642	11.8
229.01477	6.3
230.02147	16.4
231.02942	25.3
242.02086	7.1
243.03011	30.6
246.01685	7.5
247.02594	5.9
248.03156	9.0
255.02907	13.8
257.00873	12.0
258.01718	10.2
259.02451	38.4
260.02982	14.1
262.01300	9.6
269.00934	7.9
271.02505	43.6
274.01218	8.5
275.02002	13.1
276.02634	10.4
285.00330	9.4
286.01144	15.0
287.01993	100.0
288.02454	9.7
299.01859	23.4
300.02777	50.7
301.03534	52.8
302.04099	6.5
303.01434	21.2
304.02197	11.5
312.99847	21.1
313.03308	6.8
315.01443	85.6
316.02112	19.5
317.02740	8.5
330.00092	6.8
331.00949	88.0
333.02438	5.7
348.00876	8.1
349.01840	6.0
463.08725	29.4
471.73770	5.5
479.07739	6.2
489.12558	12.0
501.12576	24.9
502.13284	5.5
517.11713	7.0
521.11426	42.1
583.13135	23.6
585.14551	9.5
609.14307	11.7
613.13757	10.7
627.15100	6.3
639.11835	30.5
640.13019	6.1
657.13489	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	76.3
61.98746	9.7
65.00209	18.6
70.68446	11.4
70.68772	24.1
71.01251	30.8
73.02830	12.1
85.02837	19.3
88.98664	12.4
89.02306	14.7
93.03337	14.8
95.01243	10.6
99.00770	21.4
101.02332	18.6
107.01279	17.1
109.02863	37.1
111.00734	24.3
121.02813	66.5
123.00769	14.8
125.02342	34.4
127.00267	12.1
133.02893	13.2
136.73814	12.7
136.98643	10.6
137.02390	25.8
139.00261	50.9
148.60629	11.0
149.02368	23.0
151.00279	49.1
154.99843	21.8
155.10681	19.6
156.11024	14.5
161.02383	25.4
163.00279	20.4
163.03918	16.6
165.01823	27.7
166.99756	41.0
167.03447	15.2
175.03970	19.9
177.01883	24.6
178.99739	33.0
179.03381	15.7
179.85425	10.2
181.01306	23.8
187.03923	26.8
188.00827	10.3
189.01915	24.3
190.99768	15.3
191.05540	20.0
193.01366	15.2
194.99352	24.5
195.06598	11.3
199.04001	10.7
199.09695	12.1
201.01970	14.9
203.03334	22.9
205.01393	16.9
209.00829	13.3
213.02022	14.7
215.03345	19.6
218.02341	10.6
225.07677	21.4
229.01453	10.8
231.02846	26.2
243.02945	36.1
245.00911	13.2
255.02879	14.9
259.02441	31.8
271.02472	22.0
272.10532	42.2
273.11301	49.4
274.00806	11.6
275.01886	18.0
280.23236	11.1
286.01102	10.8
287.01962	92.8
299.01898	14.9
300.02707	27.8
301.03595	22.4
303.01440	37.2
312.99869	21.0
315.01514	68.9
316.01822	13.9
317.02707	16.5
331.00900	100.0
333.02542	12.9
435.16382	52.5
463.09070	18.3
489.12054	15.2
501.12531	21.3
521.11542	11.8
583.13287	17.7
595.12433	15.6
609.14661	12.6
613.14490	32.4
624.13629	18.4
639.12317	21.7
657.13007	67.9
658.13214	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	657.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51445	3.6
62.59480	3.7
67.01767	7.2
69.17320	3.5
69.70254	26.0
70.51313	3.6
71.01285	5.5
83.01266	4.7
85.02833	19.9
87.00770	6.6
88.41064	4.0
93.03341	30.7
97.02866	3.4
98.20584	4.5
99.42139	3.5
109.02826	25.0
109.37303	4.3
111.00763	15.4
111.04414	9.5
121.02874	5.3
123.04395	6.8
125.02353	21.5
129.93582	3.9
133.02812	8.0
135.04427	64.9
137.02385	17.2
138.03117	10.4
139.00264	8.6
139.03896	3.8
141.01888	3.9
149.02350	24.5
153.01828	20.6
155.03412	6.6
161.02377	10.7
166.02670	10.6
173.04465	100.0
175.03893	10.3
177.01901	10.2
179.03413	57.3
185.06096	5.0
189.05481	5.2
191.05536	65.2
193.01347	9.9
193.04932	4.3
194.01984	4.6
199.03928	4.6
217.05046	13.1
236.17845	3.4
241.05064	6.5
258.72964	3.7
259.06195	5.3
285.04044	5.2
289.19458	4.1
303.05109	77.5
304.05594	18.1
320.62558	3.9
335.57306	3.8
353.08798	75.9
386.96484	4.6
465.07990	7.9
592.14111	4.0
657.15369	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	657.183
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33463	4.6
67.01774	5.7
70.38161	9.4
70.38556	8.6
85.02837	7.9
87.00777	5.1
93.03338	34.2
109.02843	8.2
111.00777	4.9
111.04416	7.0
116.23696	3.8
123.04288	3.9
125.02251	9.1
134.03625	15.2
137.02296	5.7
137.59949	4.5
142.08801	4.3
146.47121	3.7
155.03412	4.4
173.04488	67.9
191.05551	100.0
192.05939	6.8
193.05055	11.7
199.04210	4.0
289.07220	10.0
367.10324	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	657.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.8
59.01250	1.2
69.37634	4.9
71.01250	1.0
72.24197	0.6
72.71819	0.5
73.02809	0.8
85.02809	1.5
93.03304	1.3
95.01266	1.2
101.02306	0.8
108.02052	44.5
109.02862	14.5
110.49743	0.6
112.98652	0.6
113.02333	1.0
121.02805	1.0
123.00809	1.0
125.02356	0.8
133.02863	0.9
135.04402	0.6
149.04488	0.6
151.03940	1.5
152.01059	44.5
153.01854	16.5
154.02136	0.7
163.03935	1.8
165.01833	2.1
173.04482	0.7
181.04968	0.7
191.05496	1.7
191.46468	0.6
282.25876	0.6
305.53979	0.7
315.07214	100.0
316.07538	6.9
431.30505	0.7
439.10172	1.0
465.08481	0.8
657.14636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01251	3.4
61.98681	0.8
62.16686	0.3
63.06334	0.3
69.03308	0.7
71.01256	3.0
73.02795	0.7
77.34949	0.3
80.02547	0.9
81.03329	1.0
83.01249	0.5
83.04906	4.3
83.07877	0.3
84.02025	0.9
84.05192	0.3
84.93729	0.3
85.02822	0.6
87.00751	0.8
88.27954	0.3
89.02334	2.2
95.01274	0.4
95.04874	0.5
97.02848	0.5
101.02324	3.3
109.02859	0.6
109.06473	0.8
113.02340	1.7
119.03370	0.4
120.55267	0.3
121.95165	0.3
123.04411	0.5
125.02364	3.5
125.05929	0.3
125.09619	0.5
135.08040	0.7
137.02357	0.6
143.03374	0.3
149.02266	0.3
151.03929	0.9
161.04477	1.1
163.11194	3.1
164.01071	0.4
165.12767	2.5
167.03387	0.8
167.10698	0.4
167.14279	0.5
171.10173	1.9
179.05513	0.6
181.12257	0.6
183.13847	5.2
187.03886	0.3
191.10677	0.9
193.12238	1.6
199.13330	0.8
207.10158	0.4
209.11772	100.0
210.12103	6.9
211.13336	84.4
212.13669	5.9
213.14856	0.5
225.11226	0.9
226.11722	0.3
227.12846	15.4
228.13202	0.8
235.08243	3.4
249.14952	1.2
253.09261	10.1
254.09566	0.5
289.07230	0.9
385.23489	0.4
393.26584	0.4
403.24814	0.8
421.25644	0.6
445.20627	1.3
447.22333	2.5
448.22461	0.3
463.21753	0.8
486.23596	0.3
545.16559	0.3
593.74408	0.3
621.32678	0.8
639.33563	0.7
657.34454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.9
61.98695	1.4
63.66130	0.4
69.03326	0.9
71.01254	5.4
71.52937	0.5
72.99168	0.5
73.02822	1.1
75.00757	0.4
80.02544	0.9
81.03333	1.3
83.01246	0.9
83.04895	5.5
84.02019	1.0
85.02831	1.8
87.00745	1.2
89.02310	3.5
93.03294	0.6
95.01240	0.4
95.04884	1.2
97.02825	0.6
97.06454	0.6
99.00738	0.5
101.02323	4.0
109.02819	0.4
109.96220	0.3
111.08054	0.8
113.02363	2.4
119.03409	0.7
121.02864	0.7
123.04402	0.5
125.02338	1.2
125.05942	0.7
125.09597	1.1
135.08063	1.2
137.02333	1.1
139.03871	1.7
147.11665	0.5
148.41200	0.4
150.06754	0.6
151.03868	0.5
161.02328	0.6
161.04510	0.9
163.11186	3.1
165.12759	2.5
171.08919	0.5
171.10199	4.1
173.04494	0.5
177.09174	0.4
179.05444	0.4
181.12303	1.1
183.13844	5.1
191.10738	1.1
193.12248	1.6
193.86835	0.4
209.11769	100.0
210.12114	7.0
211.13336	86.3
212.13669	6.1
226.07271	0.4
227.12852	11.4
233.15411	1.5
235.08192	2.9
243.84438	0.4
249.14935	2.4
253.09286	10.1
283.10907	0.5
289.07217	1.0
297.12579	0.4
341.24725	0.5
385.24008	1.0
403.24945	2.0
421.25809	1.8
440.95200	0.4
445.20734	1.0
447.22324	2.4
487.13806	0.7
535.87140	0.4
581.23590	1.4
614.21295	0.5
621.33319	0.8
625.22528	0.7
639.33710	1.5
657.24237	0.5
657.34558	8.8
658.34869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01250	1.3
61.98742	0.2
71.01247	0.9
71.01839	0.4
75.13493	0.2
83.04890	0.2
85.02821	0.7
87.00737	0.5
89.02335	0.4
94.18401	0.2
97.77003	0.2
98.07127	0.2
99.04389	0.4
101.02327	0.6
107.04919	0.2
111.04382	0.3
111.08079	0.3
113.02336	0.3
121.06492	0.7
122.03604	0.9
123.04400	0.5
127.11185	0.5
134.06010	0.4
135.04419	2.3
135.80057	0.2
136.05196	35.2
137.05441	1.3
137.09607	0.4
147.08052	0.8
148.05226	0.7
149.04858	0.4
149.05991	7.1
150.06758	3.9
151.07436	0.4
155.10678	0.5
162.06766	3.0
163.07555	1.3
164.04825	0.3
164.08325	4.1
164.09576	0.4
165.09122	17.0
166.09454	0.9
169.72505	0.2
171.10219	0.6
174.64969	0.2
179.07051	0.4
179.10689	0.3
183.13780	0.3
194.21999	0.2
209.11781	4.5
210.12207	0.3
211.13333	5.2
212.13698	0.3
227.12793	0.8
235.08121	0.3
253.09286	0.7
265.21732	0.6
283.22748	0.5
315.22000	0.3
327.25201	0.4
329.23312	7.3
330.23520	0.8
416.29245	0.8
431.31741	1.6
432.32172	0.6
433.33502	0.4
434.30408	4.0
435.30743	0.5
441.16562	0.3
447.23068	0.3
447.30847	0.2
448.31943	0.9
449.32724	17.3
450.32950	2.3
476.31680	1.4
477.32343	3.4
478.32352	0.5
494.32523	3.0
495.33255	30.1
496.33615	4.8
500.33395	0.2
563.22797	0.3
657.38519	100.0
658.38824	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	657.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.8
58.82120	0.6
59.01249	9.9
61.98698	2.9
69.03333	0.7
71.01262	3.5
71.53927	0.8
73.02818	2.1
83.01228	0.7
85.02831	1.7
85.86076	0.6
87.00766	1.4
88.98682	2.5
89.02303	1.3
92.96272	0.7
93.03343	1.0
95.04896	0.9
96.95882	1.1
101.02324	2.7
106.06467	0.7
107.04925	1.1
109.02837	1.5
109.06451	0.6
111.04393	0.8
113.02308	2.1
121.06455	2.6
122.03641	1.6
123.08039	0.8
125.02349	2.7
125.82967	0.9
135.04399	3.6
136.05202	44.5
137.02364	1.5
137.05602	1.2
137.09575	1.0
138.03218	0.7
147.08063	1.6
148.05157	1.2
149.05983	9.2
150.05669	0.8
150.06767	5.5
155.10672	1.2
162.06761	2.6
163.07536	2.4
164.00963	0.7
164.08324	2.9
165.09122	41.9
166.09488	2.1
173.04407	1.4
177.01953	0.9
191.05519	0.9
209.11795	5.2
211.13335	5.6
227.12823	1.2
253.09416	1.3
289.07242	1.3
299.01593	0.7
299.22302	10.8
300.22363	1.3
311.22241	3.8
322.42523	0.6
329.23297	1.3
339.09985	1.0
395.00433	0.7
418.30939	2.1
421.29672	1.4
433.33359	3.7
447.31027	5.8
459.31335	1.3
464.31244	1.2
465.32153	11.5
466.32446	2.0
476.31073	0.9
477.32327	9.2
478.32440	1.1
489.85028	0.9
494.32300	2.3
495.33362	11.1
496.33429	0.9
519.33386	1.2
581.24451	1.3
614.24945	0.8
625.22913	1.6
627.37677	1.0
639.37506	2.0
657.38562	100.0
658.38910	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	659.272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	10.5
61.98697	5.3
63.19123	1.4
64.76787	1.3
65.82621	1.3
66.37916	1.3
68.35181	1.3
68.44046	1.3
71.01254	4.9
71.08831	1.5
71.52485	1.6
71.52959	2.4
71.58936	1.4
75.00747	1.8
75.90018	1.7
78.25172	1.6
83.01247	2.0
85.06487	1.7
89.02323	3.0
94.06496	1.6
101.02306	4.7
109.02838	2.0
111.08059	1.5
113.02340	1.6
122.06007	5.6
125.02329	6.5
136.07579	1.9
137.02281	4.2
143.13705	1.4
144.04495	1.6
146.05963	2.2
148.07597	12.6
151.03802	1.9
152.94498	1.4
171.10196	2.5
172.03917	3.4
173.04649	2.2
173.07104	22.5
174.05515	2.4
183.13840	5.5
195.13786	1.6
200.03532	2.7
204.06512	2.5
209.11789	14.9
210.12102	5.6
211.13341	100.0
212.13724	11.8
213.14786	5.9
227.12817	5.0
238.10982	1.7
245.08049	1.8
251.11847	3.4
253.09293	10.7
253.13261	2.2
255.11317	4.9
259.14212	1.9
267.07709	5.1
267.10706	2.0
269.12982	2.8
279.11423	3.3
280.08539	3.1
281.09222	5.0
282.10034	4.5
289.07126	3.0
290.07147	2.5
295.07874	1.7
295.10837	8.6
297.12430	38.2
308.07672	2.0
314.09265	2.0
323.10385	39.9
324.10526	5.1
340.13074	2.1
341.11316	2.6
349.08203	3.0
355.12939	5.2
367.09369	13.8
399.11963	8.9
447.22610	9.2
537.24915	4.2
547.23224	6.4
565.24603	7.3
583.26111	8.0
591.22333	4.0
609.23492	7.9
623.25305	4.4
627.24622	51.1
628.24609	11.8
641.26080	5.0
641.35382	2.9
659.26782	30.9
660.27350	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	659.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.6
59.01252	3.4
61.98690	1.7
62.91028	0.3
68.72332	0.4
69.03313	0.7
71.01238	2.7
71.52634	0.5
73.02824	0.5
83.01240	0.5
83.04897	0.6
85.02830	0.8
89.02309	1.2
94.28059	0.4
94.89240	0.3
95.04863	0.3
101.02297	2.1
109.02836	0.5
113.02317	1.2
115.03910	0.3
123.04430	0.5
125.02337	2.2
137.02327	1.0
151.03893	0.6
161.02318	0.5
161.04469	0.6
163.11194	0.6
165.01923	0.4
165.12772	0.4
167.14272	0.6
171.10149	0.9
183.13835	7.5
184.14183	0.7
185.11736	0.9
193.12270	1.5
195.13841	0.8
197.11731	0.4
209.11778	8.1
210.12099	1.6
211.13341	100.0
212.13692	7.7
213.14970	7.5
227.12830	1.6
228.13263	0.9
235.08228	0.8
253.09244	8.2
254.09578	0.7
289.07214	1.4
367.67123	0.4
369.24460	0.4
387.25192	0.6
405.26434	1.1
447.22339	8.1
448.22833	0.7
527.20148	0.3
626.16089	0.4
641.35248	5.1
642.35651	0.9
659.35864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20896	0.3
52.57693	0.3
57.03325	0.5
59.01251	4.7
60.10843	0.3
61.98709	0.8
63.08393	0.3
66.35659	0.3
67.03364	0.3
69.03326	0.7
70.36457	0.9
71.01248	3.0
73.02820	0.8
81.03317	0.4
83.01277	0.6
83.04901	1.3
85.02826	0.8
87.00756	0.3
89.02319	2.1
97.02824	0.4
97.06454	0.4
101.02309	2.0
108.08061	0.4
113.02321	1.1
118.06319	0.3
119.03343	0.5
122.05970	0.4
123.04398	0.3
125.02323	0.8
132.09628	0.3
137.09674	0.4
148.07600	1.1
151.03926	0.5
161.04466	1.1
161.25317	0.3
163.11124	0.7
165.12744	1.1
167.10745	0.4
167.14294	0.4
169.12262	0.5
171.10211	0.4
172.04010	0.4
173.07181	1.5
181.12166	0.3
183.13820	8.5
184.14255	0.4
185.11684	0.6
193.12271	1.5
195.13811	2.3
204.06664	0.5
207.81682	0.3
209.11780	18.3
210.12148	1.7
211.13339	100.0
212.13666	7.7
213.14915	19.6
213.17053	0.5
214.15242	1.4
216.39539	0.3
227.12900	3.1
228.13243	0.5
235.08223	0.6
251.11841	0.5
253.09271	10.1
267.07813	0.4
279.11108	0.4
281.09320	0.7
282.10080	0.4
289.07236	0.7
290.07236	0.3
295.10840	0.8
297.12476	1.6
306.07632	0.6
323.10278	2.6
329.13931	0.5
331.15384	0.9
341.11029	0.4
355.12964	1.0
362.70761	0.4
367.09351	0.9
387.25543	0.5
399.11914	1.4
405.26379	1.3
447.22348	8.5
448.22577	1.1
514.13629	0.4
547.23529	0.6
557.59247	0.4
583.25543	0.7
591.22375	0.6
609.23669	0.9
624.02490	0.4
627.24927	2.8
628.25098	0.5
641.26062	0.6
641.35406	4.7
642.36157	0.5
659.26910	5.6
659.36603	0.4
660.27014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01585	0.7
61.98707	3.2
67.85622	0.5
68.26402	0.5
78.95785	0.7
92.41809	0.6
119.81370	0.7
122.44605	0.5
135.52075	0.7
150.06306	0.6
189.69623	0.6
201.14674	0.6
229.87953	0.8
255.23305	0.7
438.77765	0.6
505.18002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41866	0.7
55.01743	1.0
57.03313	2.1
58.00467	0.9
59.01250	36.9
61.69728	0.6
69.03327	1.4
71.01256	27.7
72.99172	1.2
73.02814	11.6
75.00768	0.6
77.61974	0.6
83.01260	5.4
85.02827	10.4
87.00761	1.6
89.02322	9.7
95.01253	2.1
96.95906	3.8
97.02805	1.1
98.19764	1.5
99.00728	3.4
99.04382	2.1
101.02318	18.8
113.02334	10.1
119.03387	2.2
123.04464	0.7
125.02303	2.0
129.01790	1.0
161.02371	0.9
161.04427	2.1
173.04510	1.4
189.16429	1.3
191.05511	1.2
232.13483	0.7
233.15385	0.8
235.16962	7.2
236.17267	0.7
251.16470	5.1
289.07120	0.8
316.46863	0.7
395.20804	3.7
413.21777	100.0
414.22162	12.1
431.03958	0.8
455.22864	38.7
456.23471	3.9
661.21619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55070	0.4
57.03318	0.8
58.00444	0.5
59.01250	9.9
61.98692	1.2
65.45387	0.4
69.03318	1.5
71.01250	5.8
73.02801	1.5
79.52691	0.4
83.01243	0.9
83.04881	0.9
83.73633	0.4
85.02838	2.1
87.00735	0.9
89.02319	4.0
93.03339	0.5
95.01262	0.5
96.95904	2.1
97.06452	0.6
98.19797	1.9
101.02325	5.3
113.02340	2.2
119.03378	1.3
122.06062	0.5
123.04454	0.5
123.07945	0.6
125.02331	0.5
135.00714	0.5
135.04427	0.9
136.07603	0.8
148.07547	0.5
155.10547	0.5
161.04498	1.0
165.12732	0.7
167.14362	0.8
173.04433	0.9
177.12726	0.5
183.13837	10.6
193.12242	1.3
195.13844	26.2
196.14195	1.4
211.13341	40.2
212.13725	2.9
213.14911	12.3
214.15244	0.9
223.13234	0.9
229.14285	1.4
253.09364	2.6
315.26950	3.4
316.27243	0.6
317.42700	0.5
327.26773	0.8
333.27893	0.9
345.28217	0.6
359.25949	3.5
360.26132	0.8
363.47366	0.5
371.25522	0.7
377.26923	4.7
378.27307	0.9
389.26956	1.6
395.28027	1.7
407.27963	6.6
425.29065	21.9
426.29453	3.5
499.32419	0.6
545.27393	1.4
586.98779	0.5
643.36218	0.8
661.38068	100.0
662.38489	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	663.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72482	1.7
59.00956	2.7
59.01250	50.5
69.03323	1.7
69.35340	1.2
69.35672	13.9
71.01251	23.8
72.99198	1.9
73.02818	9.6
83.01242	4.5
85.02827	5.9
87.00749	1.9
89.02312	16.2
93.48170	1.6
94.02838	4.0
99.00761	1.9
101.02319	16.4
106.06445	2.1
108.04458	2.4
110.06014	3.9
113.02316	15.2
116.92622	1.6
119.03383	8.0
120.08090	3.6
122.06017	13.4
124.03907	4.3
125.02303	4.7
136.03922	4.0
137.04735	2.5
138.05508	5.3
143.03343	2.2
144.04430	1.7
147.05545	3.5
150.05496	6.4
160.03970	1.6
161.04491	4.8
173.04547	4.5
174.05537	4.4
175.05034	2.6
179.05516	5.5
193.03766	2.4
196.40172	2.0
200.10719	1.9
201.10257	18.4
203.05780	3.0
213.10262	7.0
227.11781	4.7
229.09790	22.6
229.13371	7.2
239.11798	9.9
241.09735	2.6
245.12868	2.0
247.10768	4.2
255.11395	6.4
257.12881	8.1
267.11288	3.2
273.12442	5.7
283.10840	5.3
289.11996	6.2
291.11267	2.3
293.09503	1.7
300.02731	1.7
301.11920	29.2
307.10788	2.0
315.05246	2.0
319.12958	100.0
320.13373	9.5
327.13480	6.2
329.11688	1.8
330.12207	2.4
343.13074	4.9
344.13956	2.1
356.10474	1.8
358.15613	3.0
370.15640	2.8
372.13480	5.0
377.13666	2.6
386.15063	6.5
387.15305	2.0
388.16586	5.7
403.14911	2.9
404.16205	11.9
405.16614	4.1
406.17523	2.3
414.14362	3.5
419.14499	2.3
428.16443	2.6
432.15540	6.1
437.15805	6.6
441.18713	2.1
447.17795	4.3
459.20386	3.0
527.22675	7.0
528.22827	1.7
545.24054	22.5
546.23883	2.1
551.23035	3.2
569.23840	11.1
570.24774	2.4
587.25073	60.6
588.25647	12.0
590.24109	4.6
601.23120	2.3
613.22943	7.4
631.24060	80.1
632.24567	14.0
645.25800	4.8
663.26746	61.7
664.27277	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	665.1721
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01232	0.4
63.02271	0.5
63.45807	0.2
65.00210	0.5
68.22144	0.2
71.38857	0.4
83.01264	0.4
107.01256	1.1
109.02850	0.6
128.13181	0.2
133.02866	0.5
135.00806	0.4
137.40727	0.2
148.01616	0.4
151.00278	2.8
154.54874	0.3
155.04921	0.3
159.04500	0.2
169.01335	0.3
171.03137	0.2
171.04396	1.2
173.02377	0.3
175.03964	0.7
178.99826	0.4
183.04330	0.4
187.03891	0.5
196.16020	0.3
199.03915	3.4
201.01991	1.2
203.03400	0.7
210.03082	0.3
213.12224	0.3
215.03432	2.1
226.02695	0.7
227.03448	3.6
228.03925	0.3
229.01231	0.4
242.02190	0.7
243.02966	6.2
244.03285	0.4
254.02313	0.3
255.02942	6.2
256.03366	0.5
271.02469	61.7
272.02841	4.5
284.03354	0.4
285.04025	2.2
299.01956	91.2
300.02661	37.9
301.03137	2.8
313.03406	0.8
314.04309	21.6
315.05072	16.6
316.05438	1.0
324.02652	0.3
339.05078	0.4
357.06180	1.2
369.06549	0.3
501.10403	0.6
503.11798	0.5
583.76172	0.3
605.15009	3.8
606.15460	0.5
623.16119	10.2
624.16327	1.5
665.17212	100.0
666.17554	18.5
666.29071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	0.9
85.02828	5.1
86.15292	0.8
87.00744	1.9
93.03345	3.0
103.84273	0.8
109.02850	1.5
127.03947	1.7
131.03429	1.0
133.02861	1.0
135.04427	3.4
137.02406	1.5
149.04442	4.3
161.02365	2.2
166.71223	0.7
173.04485	5.2
179.03433	4.4
191.05539	100.0
192.05942	3.2
193.02493	0.7
242.05898	0.9
271.09714	1.5
311.07739	1.7
345.01382	0.8
353.08737	18.9
354.09167	2.3
359.07626	1.0
665.17047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.6
56.12686	1.1
57.03321	2.6
59.01252	78.8
61.98706	3.3
69.03320	3.2
69.88306	6.1
71.01254	46.3
72.99166	3.3
73.02821	21.0
77.85732	1.1
81.03350	1.4
83.01260	11.5
85.02822	23.9
85.99923	1.4
87.00758	5.7
89.02328	11.4
93.03337	2.2
95.01257	6.8
96.15086	1.2
96.95861	1.7
97.02821	4.6
97.06447	1.3
98.20606	1.1
99.00750	21.6
99.04398	1.6
101.02324	32.7
108.44276	1.0
109.02836	2.1
109.33182	1.1
111.00783	2.9
113.02338	26.8
114.02681	1.2
119.03361	3.5
125.02348	9.0
125.09620	1.2
127.03947	1.6
131.03380	1.9
135.04427	1.2
137.02342	3.9
143.03409	15.3
149.04416	2.0
155.03412	2.4
155.10791	1.1
161.04468	20.6
161.05771	0.8
163.98427	1.1
179.05534	3.2
191.05499	1.5
197.06004	20.4
198.06441	2.0
203.05554	12.2
221.06662	1.5
225.05528	85.3
226.05852	7.9
240.07887	100.0
241.08212	8.6
255.10255	87.2
256.10599	8.6
257.06671	2.0
271.02368	1.6
279.18713	1.1
296.05618	1.5
299.01987	5.6
300.02740	1.4
305.05420	2.5
305.08786	36.1
306.09103	3.1
311.15393	1.2
323.09827	55.4
324.10178	4.5
365.10861	24.1
366.11255	1.9
417.21616	2.7
621.34503	2.3
665.17529	2.1
665.35870	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	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.6
57.03321	4.3
59.01254	96.5
69.03321	2.9
71.01258	74.9
71.51960	2.3
71.52412	3.2
72.99186	3.5
73.02455	2.4
73.02798	14.4
73.48983	2.2
75.64716	2.2
81.03288	2.5
83.01260	9.2
85.02818	31.2
85.40828	2.2
87.00741	8.4
89.02316	28.5
93.03328	3.6
95.01270	10.7
96.95897	25.9
99.00743	7.6
101.02328	40.6
107.27984	2.3
113.02335	38.1
116.92749	2.9
119.03374	10.4
123.04365	4.1
125.02349	11.2
127.59304	2.5
135.04370	3.6
137.02275	2.9
143.03395	5.4
151.00293	4.4
155.10625	2.4
161.04457	10.7
173.04459	5.3
191.05495	10.1
199.03964	6.0
215.03433	4.1
227.03400	5.6
242.02061	4.9
243.02983	19.9
255.02991	11.5
257.04544	3.0
270.01904	3.5
271.02484	63.2
272.02899	10.6
285.04034	9.2
299.01950	100.0
299.05344	5.4
300.02649	44.0
301.03149	7.3
312.40408	2.5
314.04346	51.6
315.05002	27.0
316.05392	3.0
355.54236	2.9
399.23889	8.6
417.21198	11.0
417.25586	4.9
442.89081	2.7
459.22281	2.6
474.08951	2.9
538.21045	2.8
558.78070	2.7
561.29065	98.8
562.29395	20.2
579.30243	84.6
580.30688	9.4
621.31451	20.4
622.31909	3.5
623.15961	3.8
633.25116	6.3
665.17249	81.7
665.27588	2.7
666.16760	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	3.6
57.03321	4.3
59.01254	96.5
69.03321	2.9
71.01258	74.9
71.51960	2.3
71.52412	3.2
72.99186	3.5
73.02455	2.4
73.02798	14.4
73.48983	2.2
75.64716	2.2
81.03288	2.5
83.01260	9.2
85.02818	31.2
85.40828	2.2
87.00741	8.4
89.02316	28.5
93.03328	3.6
95.01270	10.7
96.95897	25.9
99.00743	7.6
101.02328	40.6
107.27984	2.3
113.02335	38.1
116.92749	2.9
119.03374	10.4
123.04365	4.1
125.02349	11.2
127.59304	2.5
135.04370	3.6
137.02275	2.9
143.03395	5.4
151.00293	4.4
155.10625	2.4
161.04457	10.7
173.04459	5.3
191.05495	10.1
199.03964	6.0
215.03433	4.1
227.03400	5.6
242.02061	4.9
243.02983	19.9
255.02991	11.5
257.04544	3.0
270.01904	3.5
271.02484	63.2
272.02899	10.6
285.04034	9.2
299.01950	100.0
299.05344	5.4
300.02649	44.0
301.03149	7.3
312.40408	2.5
314.04346	51.6
315.05002	27.0
316.05392	3.0
355.54236	2.9
399.23889	8.6
417.21198	11.0
417.25586	4.9
442.89081	2.7
459.22281	2.6
474.08951	2.9
538.21045	2.8
558.78070	2.7
561.29065	98.8
562.29395	20.2
579.30243	84.6
580.30688	9.4
621.31451	20.4
622.31909	3.5
623.15961	3.8
633.25116	6.3
665.17249	81.7
665.27588	2.7
666.16760	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.3
62.31672	2.5
63.32258	2.7
65.00179	3.7
65.99710	4.9
69.09582	2.6
71.01223	7.1
71.53337	3.1
71.56780	2.4
73.02856	2.7
83.01299	2.7
85.02822	5.1
87.00747	5.3
93.03350	6.1
94.53641	3.0
95.01266	3.0
107.01278	6.8
109.02855	21.7
111.00825	3.5
113.02361	3.6
119.01261	3.8
121.02842	9.7
123.00769	5.1
124.01505	5.2
125.02318	5.5
132.42563	3.3
133.02834	5.6
134.02361	13.2
135.00813	5.0
135.04417	16.5
137.02318	11.8
138.00348	2.8
143.03429	3.4
146.02391	5.0
146.26106	2.9
147.00781	4.7
148.00453	4.8
148.01563	36.9
149.02338	11.9
149.04414	4.2
151.00256	18.3
152.01073	5.9
153.01904	3.8
158.02394	4.2
160.03851	3.2
161.02330	11.3
162.01826	34.4
163.00291	11.9
163.02609	4.2
163.03963	3.7
164.01180	3.0
164.03462	10.3
164.17149	2.6
166.99666	3.8
167.18637	2.7
175.00273	6.7
175.03891	6.1
176.01033	9.7
176.03438	3.0
177.01852	80.1
178.02197	3.6
178.99773	12.9
179.03416	19.1
186.01886	21.3
187.03989	3.8
190.01447	9.9
191.02167	11.5
193.01256	5.0
199.03920	9.4
201.05444	3.9
202.01360	8.8
202.99829	18.3
203.01845	6.0
203.03542	6.8
204.02948	87.3
205.03351	6.0
214.01215	5.0
215.03452	6.2
227.03439	6.8
229.01392	2.9
229.05116	3.2
230.00883	32.0
231.01239	4.1
239.03439	4.9
242.02214	3.6
242.04567	3.9
243.03015	12.5
244.03358	4.1
245.04579	3.6
247.01263	4.9
255.02959	10.1
257.04089	2.9
262.53671	3.3
266.04742	6.1
267.02896	3.8
269.04559	6.4
270.01599	4.1
271.02481	45.2
272.03134	12.7
273.03925	7.9
283.02423	5.7
284.03345	4.3
285.03986	10.3
287.01840	4.7
288.02924	5.3
294.04041	17.4
295.02301	4.3
296.05627	4.9
299.01938	37.8
300.02585	21.7
301.03467	16.8
307.35654	3.5
310.03552	8.4
311.04269	8.2
312.02496	7.0
313.03351	17.0
316.02078	15.8
317.02887	18.0
322.03571	76.3
323.04138	6.5
324.05112	3.2
339.03806	67.9
340.04590	87.1
341.04965	9.9
341.08875	6.5
343.08023	4.3
357.04834	25.8
358.05621	4.4
463.08963	7.0
489.12604	11.0
501.12473	17.5
503.14023	4.6
505.09961	8.7
530.15198	86.1
531.15698	8.6
556.13031	60.8
557.13141	6.5
581.15314	9.1
625.14337	10.3
648.15631	79.8
649.15918	14.8
666.16772	100.0
667.16797	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.152
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
51.81002	0.3
51.98442	0.3
59.01249	0.8
59.81647	0.3
60.22862	0.3
60.65275	0.3
63.02269	1.5
65.00187	3.6
69.59757	2.2
83.01250	2.4
93.03329	1.2
102.27756	0.3
102.61387	0.3
107.01263	7.7
108.02036	0.9
109.02829	1.6
119.01195	0.3
121.02846	5.8
125.02318	0.9
134.03587	0.4
135.00757	0.6
135.04420	0.6
148.01619	1.0
149.02396	1.1
149.04330	0.3
151.00279	32.2
152.00620	0.8
153.01814	0.4
161.02303	0.6
163.00279	1.9
163.03938	0.6
164.01068	1.0
169.01353	1.8
173.04538	0.4
173.05928	0.5
175.03893	0.4
178.99785	13.8
179.03328	0.6
180.00067	0.7
183.04456	0.6
187.03940	0.5
191.05556	0.8
192.00589	0.6
193.01355	0.8
199.03912	0.9
201.05460	0.5
205.12762	0.3
211.03917	0.7
215.03485	0.5
216.03824	0.3
226.02795	0.7
227.03448	2.3
229.04965	1.0
239.03484	0.5
243.02994	7.5
244.03455	1.3
245.04474	1.6
254.02316	1.8
255.02974	21.7
256.03378	1.7
257.04532	0.6
257.08157	1.5
271.02478	46.1
272.02875	4.9
273.04013	2.0
283.02411	1.1
299.01956	3.8
300.02744	84.0
301.03494	100.0
302.03864	7.6
422.65549	0.3
463.08792	13.7
464.08875	2.0
505.09875	91.8
506.10202	12.2
506.17810	0.6
614.75897	0.3
667.14978	3.7
667.32159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67153	0.5
55.12333	0.5
57.03326	0.9
59.01239	2.4
65.00171	0.6
70.77580	0.9
70.77930	1.0
71.01254	1.6
73.02803	0.8
81.03314	3.9
83.01264	1.3
93.03327	2.0
101.02321	1.0
107.01234	0.8
109.02840	0.8
113.02310	0.5
122.03629	3.7
125.02339	7.2
131.04912	0.8
135.04382	0.9
138.03180	0.6
149.02313	1.0
151.00273	1.7
155.10669	1.6
156.05643	1.0
161.04573	0.6
167.03380	0.9
169.06514	1.5
171.08038	1.8
173.04530	1.1
173.05989	2.7
179.03436	1.4
183.07990	0.6
191.05495	0.9
195.08133	1.1
199.09775	0.8
213.09138	21.7
214.09477	1.2
239.07144	2.8
241.78239	0.6
253.08727	0.9
254.08873	0.5
257.08167	100.0
258.08472	7.9
263.07025	1.2
271.09732	1.4
281.08182	12.6
282.08554	1.5
299.09314	5.9
311.09262	1.5
373.14963	2.1
419.13437	12.1
420.13705	1.6
443.13083	0.8
461.14548	45.6
462.14880	4.9
489.81757	0.5
505.19101	1.0
593.12933	0.6
651.46045	0.6
667.39001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.5
59.01257	14.5
61.98691	1.5
64.47856	1.1
66.23423	0.9
66.67796	0.9
67.01762	3.8
69.03335	1.7
71.01260	10.9
71.52850	1.5
73.02828	5.2
83.01238	2.5
83.04900	2.2
85.02827	4.0
87.00764	2.5
89.02314	3.8
93.03330	22.3
95.01243	1.3
96.95869	2.0
97.02867	1.2
98.06660	1.0
101.02319	5.0
107.01251	1.3
109.02828	3.8
110.45488	1.0
111.00762	1.9
111.04418	5.7
113.02335	3.5
116.92789	1.6
121.02816	1.5
122.05990	1.3
125.02341	2.3
129.01875	1.4
131.11003	0.9
135.04413	2.4
137.02361	6.5
137.09602	4.2
143.03424	1.8
151.00298	4.2
154.99718	1.3
155.03375	5.6
155.10686	73.4
156.11018	3.0
159.04448	1.0
161.04422	1.3
167.03551	1.1
169.01341	1.1
173.04472	100.0
174.01524	1.1
174.04816	3.9
178.99863	1.3
183.64777	1.1
185.02388	1.3
186.35689	1.0
191.05539	4.5
199.07809	1.9
199.09691	36.1
200.10001	2.1
255.03070	4.1
257.08295	2.1
259.18924	1.1
271.02414	5.9
289.07574	1.0
299.01968	1.1
300.02765	8.5
301.03525	13.6
302.03714	1.9
328.32431	1.0
331.13998	4.0
351.13550	1.0
373.15024	36.5
374.15268	2.9
463.08810	4.6
466.06610	1.2
468.50888	1.1
505.19275	75.8
506.19714	9.5
535.18207	2.9
621.47565	1.2
667.11469	5.1
667.22485	9.0
668.13025	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	667.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.2
59.01249	2.4
67.08470	0.3
71.01254	1.8
71.53188	0.2
71.53542	0.2
73.02819	0.5
76.10691	0.2
83.01252	0.3
85.02832	0.6
87.00771	0.5
89.02309	1.3
91.83704	0.2
101.02320	1.9
111.88076	0.2
113.02351	1.2
119.03373	0.4
125.09609	1.0
127.07572	0.2
127.11163	1.8
153.09154	0.4
161.04437	0.8
171.10178	90.7
172.10516	4.6
233.22615	0.2
235.08142	2.8
253.09232	6.6
254.09746	0.3
256.21024	0.2
259.20538	0.3
275.20123	0.5
277.21707	100.0
278.22064	11.0
407.19177	0.6
510.61441	0.2
513.30640	0.2
550.58240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27158	0.2
59.01250	2.1
60.77255	0.2
62.99360	0.2
63.74818	0.2
71.01249	1.5
71.89828	0.2
73.02808	0.3
81.55910	0.2
85.02826	0.4
87.00732	0.3
87.34424	0.2
89.02322	1.1
101.02318	1.2
113.02338	0.7
119.03397	0.3
125.09619	0.9
127.11164	1.8
153.09126	0.6
161.04449	0.6
171.10178	100.0
172.10532	5.0
172.87755	0.2
179.05496	0.3
235.08170	0.9
248.43193	0.2
253.09265	4.6
277.21719	45.7
278.22110	3.8
317.27750	0.2
331.72000	0.2
407.19287	0.8
414.69427	0.2
478.99420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58361	0.7
57.03316	1.0
59.01260	7.4
61.98694	2.1
69.03331	2.0
71.01262	5.1
71.04890	1.1
71.52129	1.0
73.02811	1.1
81.03322	1.2
81.98690	0.6
83.01279	1.5
83.04897	3.2
84.02064	1.0
85.02836	2.1
89.02306	2.5
89.24879	0.7
93.00605	0.8
95.01304	0.7
95.04906	1.6
95.47411	0.7
100.54565	0.6
101.02312	3.6
109.06487	0.8
113.02313	2.0
119.03370	0.8
125.02338	0.9
150.06850	1.0
159.04510	0.7
161.04485	1.3
162.06783	6.8
163.03912	0.8
163.07573	0.7
163.11209	2.9
165.09099	0.8
165.12761	3.2
167.10657	1.7
171.10173	2.9
177.09108	1.0
179.10730	0.8
179.14357	2.5
195.13846	8.6
205.12309	7.5
209.11780	100.0
210.12102	6.1
223.13361	70.7
223.15608	1.5
224.13731	4.7
227.12849	17.6
228.13177	1.2
235.08253	2.8
253.09286	9.9
261.14990	2.1
398.02267	0.7
415.25092	1.0
441.21515	0.9
445.20743	1.1
459.22479	6.5
471.21664	0.8
491.28342	1.1
651.36444	0.7
669.38647	10.9
670.39355	2.0
698.69183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3857
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03311	1.0
59.01251	5.7
61.98689	1.4
64.59873	0.3
66.56561	0.3
69.03297	0.8
70.96832	0.6
71.01229	1.7
73.02803	1.0
77.49728	0.4
79.49828	0.4
85.02810	1.6
87.00751	0.5
89.02322	0.7
89.55074	0.4
93.03288	0.4
97.02816	0.4
99.04350	0.5
101.02312	0.6
111.04393	0.4
111.08038	0.4
113.02322	1.0
113.05983	0.6
122.02318	0.5
123.04403	0.8
125.02333	0.4
125.09644	0.4
135.04372	0.5
135.08049	1.0
136.05182	1.2
137.02327	0.5
137.05977	0.6
149.05975	4.8
150.06770	42.9
150.38565	0.3
151.07457	2.7
155.10716	0.8
157.08614	1.0
161.09627	0.6
162.06728	0.8
163.07559	9.6
163.08922	0.5
164.08344	5.9
165.08717	0.5
169.12263	0.6
171.10194	0.7
173.04463	1.0
176.08344	1.8
177.09047	0.7
178.09877	2.9
179.10701	12.4
180.11060	0.7
191.05527	0.4
209.79709	0.3
216.79735	0.3
255.06290	0.5
276.74356	0.4
279.23300	0.8
281.21262	1.1
283.18979	0.5
309.84772	0.4
325.23770	1.3
327.21777	5.6
328.21942	0.8
427.41876	0.4
428.29337	1.2
429.29828	0.5
443.31943	0.9
444.32416	0.7
446.30334	9.3
447.30679	2.1
460.32169	1.9
461.32709	10.1
462.33035	1.4
488.31345	1.8
489.32245	2.4
506.32516	3.0
507.33279	26.6
508.33749	4.5
609.36914	1.8
609.47595	0.4
610.10388	0.4
627.38489	0.8
669.38525	100.0
670.38904	19.9
684.73688	0.5
694.14691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	4.1
55.18578	0.8
57.03327	2.0
59.01253	6.7
61.38868	0.7
61.98703	1.0
66.15212	0.7
67.01762	0.7
69.03338	0.8
71.01256	6.8
71.52610	1.2
72.99180	1.4
73.02824	3.5
75.00747	4.5
78.63863	0.7
83.01273	0.9
85.02817	5.3
87.00781	1.5
87.04382	0.8
88.98679	1.3
89.02328	3.1
93.03329	1.5
95.01274	1.1
95.43719	0.7
99.00739	1.0
101.02319	4.0
103.00238	0.8
107.64307	0.7
109.02854	2.2
111.00751	1.0
113.02340	2.6
122.02386	6.7
125.02364	2.4
129.01811	3.8
133.02824	1.6
134.03635	2.7
135.03429	1.7
135.04424	30.3
135.07974	0.8
136.04738	1.6
137.02299	1.7
137.09631	7.3
147.02924	2.6
149.04404	1.3
150.03093	1.4
155.10689	100.0
156.11066	4.1
161.02419	3.7
161.04514	1.2
165.01883	1.0
173.04483	3.1
174.01656	0.9
179.03426	28.2
180.03809	1.2
181.08673	1.3
184.06055	1.8
191.05588	2.6
199.09697	62.5
200.10052	3.2
213.11246	1.7
241.10875	1.1
253.53288	0.8
255.02846	1.0
271.02478	1.5
289.07251	1.6
299.01999	4.3
309.03076	0.8
309.06256	3.3
329.12378	11.6
347.09714	0.7
347.13480	18.1
348.13892	1.6
352.02316	0.9
361.15045	2.9
399.06952	1.5
509.18744	66.9
510.18924	9.4
515.87244	0.9
547.42938	0.8
554.18878	5.1
639.21381	1.1
655.76837	0.9
671.22174	3.4
671.32990	2.0
672.24786	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	671.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	0.3
57.03315	0.8
59.01250	3.7
61.98712	1.4
69.03338	0.6
69.44112	1.8
69.44523	0.5
71.01251	1.8
72.99197	0.4
73.02823	0.9
75.00716	0.3
83.01240	0.5
83.04906	0.3
85.02833	0.9
87.00769	1.3
87.04407	0.4
89.02328	0.6
93.03339	0.3
95.01225	0.4
95.04913	0.4
96.95919	0.3
97.02808	0.3
97.06472	0.3
98.20582	0.5
99.00768	0.4
99.04386	0.9
101.02325	0.8
109.02835	0.5
109.06467	0.4
111.04415	0.8
111.08031	0.6
113.02327	1.0
121.06477	1.0
122.03622	0.9
123.04399	0.6
123.08046	1.0
125.02337	0.9
127.11212	0.3
135.04425	1.4
135.07996	0.4
136.05202	29.5
137.02344	0.4
137.05930	1.3
137.09604	1.0
147.08052	1.0
148.05171	0.9
149.05986	4.7
149.09576	0.7
150.03180	0.3
150.06776	3.7
151.07472	0.8
153.09052	0.4
155.10643	0.8
161.02322	0.4
162.06757	1.2
163.07513	1.0
164.08319	2.5
165.01837	0.3
165.09126	25.4
166.09402	1.4
171.10167	0.4
173.04428	0.6
175.02437	0.4
179.07033	0.5
179.10716	0.5
184.10933	0.6
191.05566	0.6
199.09700	0.4
201.11320	0.5
207.10281	0.5
209.11731	0.4
219.14040	0.3
255.11508	0.5
257.13794	0.5
261.18466	0.7
264.17261	0.3
289.17963	0.3
292.16678	1.0
299.18872	0.4
300.02628	0.4
306.18167	0.3
307.19101	3.3
308.18933	0.4
321.08862	0.5
336.19415	0.8
337.19849	0.3
343.21228	5.7
343.25079	0.5
344.21625	0.7
434.17529	0.4
445.29437	0.8
447.31271	0.3
463.30655	9.5
464.31097	1.5
490.29239	0.4
491.30170	2.2
492.30280	0.4
508.30374	2.2
509.31064	26.1
510.31421	4.8
551.31665	0.4
590.74750	0.3
595.21411	0.5
639.21075	1.0
671.36450	100.0
672.36780	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	671.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
59.01252	3.9
61.98696	0.9
69.03318	0.3
69.25751	2.6
71.01248	1.9
73.02819	1.0
83.04887	0.4
85.02846	0.8
87.00763	0.9
97.06472	0.6
99.04417	0.6
101.02327	1.0
111.04397	0.9
111.08024	0.6
113.02324	0.9
115.00243	0.4
121.06468	1.0
122.03568	0.9
123.04406	0.7
123.08041	0.8
125.02325	1.0
127.11171	0.8
135.04422	1.4
136.05199	27.6
137.05745	1.5
137.09634	1.3
139.03857	0.4
147.08005	1.1
148.05122	0.5
149.05991	4.6
150.06773	3.7
151.03912	0.4
151.07541	0.4
153.01816	0.5
155.10678	0.7
162.06766	1.3
163.07555	1.1
164.01009	0.5
164.08405	2.3
165.09122	24.0
166.09409	1.3
171.10144	0.5
173.04454	0.5
179.06982	0.4
179.10626	0.6
184.10912	0.7
191.05580	0.4
200.04744	0.3
207.10193	0.9
209.11674	0.5
257.13977	0.5
261.18564	0.7
292.16797	1.2
300.02811	0.5
307.19119	3.4
336.19312	0.8
341.23608	0.4
343.21292	5.8
344.21796	0.4
374.69522	0.3
381.10266	0.4
406.68857	0.4
445.29651	1.0
448.28049	0.4
463.30624	8.8
464.31012	1.4
490.29315	0.6
491.30066	2.0
492.30725	0.5
508.30557	2.1
509.31036	23.9
510.31448	4.4
583.75500	0.4
595.21832	0.4
639.20361	0.6
650.46973	0.4
671.36438	100.0
672.36804	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	671.4012
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03331	0.9
59.01249	3.3
61.98703	0.5
69.29594	3.5
71.01244	1.3
73.02808	0.6
85.02813	1.2
98.19724	0.8
99.04409	0.7
101.02341	0.6
110.33720	0.4
111.04409	0.5
112.95689	0.4
113.02286	0.5
120.55511	0.4
130.07401	0.4
135.08061	1.0
136.05197	1.1
137.09561	0.5
139.03976	0.6
149.05975	5.3
150.06769	38.4
151.07513	2.5
161.09639	0.4
162.06790	0.7
163.07561	8.6
164.08345	5.1
165.71263	0.5
168.21341	0.4
176.08362	1.5
177.09103	0.7
178.09912	2.7
179.10695	11.3
180.10983	0.5
193.08586	0.4
207.10173	0.8
209.11838	1.1
225.11343	1.4
227.12839	0.7
285.20557	0.6
293.20673	0.5
327.25357	1.1
329.23273	5.1
430.30704	0.9
443.62119	0.5
445.33243	0.9
448.31888	8.5
449.32208	1.8
462.33499	1.2
463.34290	10.1
464.35031	1.0
467.18860	0.6
490.32843	2.4
491.33682	1.9
492.34097	0.7
508.34097	2.2
509.34839	25.2
510.35089	4.5
543.33826	0.5
611.37561	0.7
671.40125	100.0
672.40442	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80605	0.6
61.98690	2.2
80.23785	0.6
87.63653	0.5
98.20501	1.5
99.09111	0.6
108.02023	1.0
143.16238	0.7
148.00465	0.5
148.01604	1.0
151.00282	2.5
163.00320	0.6
172.43042	0.6
173.56548	0.6
178.99763	2.6
187.82500	0.6
202.02872	0.6
226.02628	1.0
227.03345	0.7
243.02994	6.0
244.03516	1.0
254.02188	0.9
255.02966	15.2
256.03421	1.0
271.02472	32.0
272.02921	3.4
300.02737	100.0
301.03189	10.3
405.27332	0.7
609.14594	95.0
610.14972	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	672.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60507	2.1
69.33682	14.1
69.34101	4.2
79.24282	2.3
80.50779	2.3
83.01242	2.3
95.01267	2.0
95.65034	2.0
98.20569	4.0
109.02852	2.4
119.59908	2.2
135.04462	2.4
139.00226	2.8
151.00348	11.4
163.11551	1.9
178.99724	5.8
194.00778	2.2
208.10440	2.3
217.16328	2.1
227.03358	2.4
243.02943	6.1
255.02943	20.7
256.03293	2.5
259.02399	2.4
271.02475	40.6
272.02826	3.7
293.03748	2.0
300.02737	70.8
301.03418	32.0
302.03705	3.3
303.01483	4.0
389.79019	2.5
395.22906	2.3
538.30725	2.4
554.75684	2.3
609.14575	100.0
610.14880	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	672.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69686	0.5
57.03329	0.9
59.01243	1.3
61.98693	2.2
64.14169	0.5
67.52782	0.5
68.99023	0.5
69.73168	2.5
71.04891	1.3
72.99197	0.7
81.02055	1.1
82.02860	4.5
83.73793	0.6
84.00784	1.4
85.02809	1.6
87.00751	7.5
91.71774	0.5
93.03320	0.9
94.02870	5.8
95.04916	0.9
96.04416	6.3
97.06469	1.8
98.20499	1.1
107.03661	3.7
107.04899	5.8
107.50670	0.6
108.04445	3.9
120.04443	2.2
121.02855	2.4
121.06526	0.9
122.02362	2.3
122.06002	1.0
123.04407	2.3
124.03938	29.0
125.02339	0.6
125.04274	1.1
126.05447	1.0
133.06421	0.7
134.06015	1.4
135.08075	1.0
136.03874	0.8
148.03931	2.0
148.07555	1.8
149.04726	0.9
150.05501	1.8
151.03909	14.6
152.04187	0.6
159.08069	2.3
161.05927	1.3
161.09663	1.1
162.05501	1.2
163.07538	2.3
176.07091	5.2
177.07834	3.7
177.09172	0.5
178.08609	7.1
182.03365	0.6
190.08626	2.9
192.10255	2.2
205.08769	0.8
207.06631	2.8
220.09749	20.5
220.11880	1.3
221.10043	1.0
233.11868	0.9
247.08545	0.9
248.09186	1.6
268.13272	0.8
275.09293	1.1
286.14520	1.3
295.22818	4.7
296.12885	2.1
296.23068	0.8
298.14340	0.8
310.14566	1.0
312.12296	1.1
314.13907	1.6
328.15591	1.8
330.13434	6.0
338.13953	1.0
340.11957	0.6
354.13394	1.1
358.12946	42.8
359.13248	4.5
372.14554	11.1
373.14764	1.5
400.14001	100.0
401.14307	11.4
401.66974	0.6
442.14999	5.4
443.15247	0.7
609.15283	0.9
654.36725	0.8
657.51361	0.7
672.37463	4.4
673.37689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.4
58.00481	2.5
59.01244	14.0
61.98704	17.0
71.01253	53.1
71.52042	2.5
72.99175	2.4
73.02829	4.4
80.02570	1.8
81.03346	3.8
83.01250	1.9
83.04891	7.8
83.49216	1.5
85.02832	4.8
86.86440	1.6
87.00758	3.1
89.02325	6.2
93.03369	1.8
97.02840	3.8
97.06505	1.8
98.62144	2.1
99.00755	5.2
101.02325	8.3
108.08713	1.5
109.06511	8.6
113.02326	6.7
119.03366	2.0
119.94816	1.7
125.02338	5.9
125.09612	3.8
125.52737	1.7
137.02348	3.2
142.02628	2.2
145.04941	3.5
161.04482	4.5
163.11206	8.4
165.12766	4.3
167.03456	2.7
171.10182	16.1
181.12263	6.7
183.13828	12.4
185.11752	4.1
193.12251	2.1
199.13318	26.7
201.11238	11.2
207.10202	33.3
207.13760	1.6
208.10503	2.0
209.11778	89.1
209.13776	4.4
210.12183	4.0
211.13339	100.0
211.54108	1.8
212.13724	6.0
225.11310	23.6
227.12837	79.5
228.13176	5.3
229.14333	3.9
235.08183	8.1
243.12492	2.2
247.13359	4.1
253.09267	16.8
255.54747	1.8
277.21735	2.8
307.11081	2.4
337.72580	2.5
383.22147	2.8
391.24640	2.4
393.26639	2.4
396.58939	2.1
401.23312	7.0
419.24490	5.9
461.20291	6.7
463.21667	10.7
502.18689	2.1
514.54315	2.0
637.32178	10.7
655.33539	15.3
656.33942	4.2
673.34338	27.9
674.35364	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	673.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
58.00451	1.6
59.01250	11.0
61.98703	8.6
69.03311	1.5
69.80613	4.5
71.01252	44.3
72.99188	1.3
73.02816	4.0
75.00771	0.9
80.02553	1.6
81.00989	1.1
81.03318	2.1
83.01250	1.1
83.04906	5.1
85.02821	4.8
87.00750	2.1
89.01849	1.0
89.02325	6.7
95.01254	1.7
95.04890	2.2
97.02824	3.4
99.00761	4.0
101.02335	8.5
109.06471	7.9
111.00787	1.4
113.02320	4.8
115.12205	1.0
123.04415	1.0
123.08058	1.0
125.02332	2.0
125.09611	3.4
134.53691	0.9
135.08026	2.2
142.02760	0.9
145.04944	1.9
161.04475	2.0
163.11227	7.2
165.01811	1.0
165.12749	3.1
167.03381	1.0
171.10213	9.5
179.05423	1.4
181.12245	7.1
183.13814	11.1
185.11745	3.2
191.10661	1.6
193.12234	2.1
199.13339	24.5
201.11288	6.5
207.10207	25.2
208.10471	1.3
209.11772	68.8
210.12086	3.6
211.13335	100.0
212.13670	6.0
215.12874	2.4
225.11307	20.4
226.11559	1.6
227.12837	68.0
228.13196	2.6
229.14365	2.6
235.08228	5.6
235.13350	1.5
243.12386	1.6
245.13844	1.5
247.13396	2.2
249.15097	1.1
253.09271	12.8
253.14381	1.2
254.09413	1.1
265.14398	1.1
277.21695	2.6
339.23056	1.2
380.89386	1.0
383.22299	2.2
401.23187	6.6
419.24240	5.1
437.25281	1.4
437.69727	0.9
441.08646	0.9
447.22397	1.2
461.20276	4.5
463.22015	11.5
464.22723	1.2
637.32355	8.4
655.33453	10.6
656.34009	1.5
673.23761	1.1
673.34460	17.3
674.34479	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	675.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10242	3.9
67.01750	7.6
70.99675	5.8
72.32146	4.4
81.03321	7.3
83.01256	5.0
85.02808	29.4
87.48679	4.2
93.03333	20.5
95.01242	4.1
96.95889	5.3
108.02037	5.7
109.02840	68.2
109.99976	5.0
110.92618	3.8
111.00777	55.8
120.67761	4.0
121.02847	16.0
123.00726	5.4
123.04420	11.3
125.02329	12.2
127.03825	4.7
133.02841	4.0
135.04405	32.2
137.02325	11.3
139.00276	12.5
147.04469	9.8
149.02353	70.7
150.03076	12.0
151.03929	8.9
153.01846	84.0
154.02194	5.9
154.99741	9.5
161.63861	4.2
165.01886	4.0
172.05219	7.7
173.04488	63.3
173.05922	4.4
175.03960	8.0
177.01865	4.6
179.03412	23.2
179.04944	3.9
187.03758	4.7
189.05362	9.6
191.05547	34.2
193.01303	7.6
194.02147	5.3
195.02838	6.6
213.05490	4.9
215.06967	9.4
216.04156	10.6
217.04973	26.2
218.05687	4.9
231.06616	8.8
233.04515	12.4
235.05972	8.3
241.05145	7.5
259.06024	9.8
269.55182	3.5
279.25259	4.0
299.17828	4.6
303.05191	33.4
304.05582	5.5
321.06146	100.0
322.06430	11.9
353.08813	37.1
483.09271	4.4
510.24902	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	675.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01251	12.9
61.53625	0.6
61.98691	1.0
63.96345	0.5
68.23413	0.6
69.03329	0.9
71.01252	8.4
71.04862	0.8
73.02822	5.0
83.01252	1.3
83.04895	1.9
83.15945	0.7
85.02811	2.7
87.00784	0.9
89.02326	5.9
93.03320	1.0
95.01288	1.2
96.95888	1.5
97.02825	1.0
99.04395	18.1
101.02332	5.4
109.02822	1.7
109.06510	0.9
111.04384	0.7
113.02352	4.2
119.03385	1.6
122.05980	0.9
123.04432	1.1
125.02347	4.3
127.03893	0.7
135.08057	1.7
137.02356	1.3
137.09619	0.7
139.07564	1.2
143.03369	0.8
147.08052	0.7
152.07104	1.9
155.10725	1.2
161.02399	1.2
161.04504	1.6
164.07184	0.6
167.23494	0.7
179.05595	0.9
182.12350	0.6
185.00885	1.1
203.14342	12.5
208.71472	0.7
209.11795	1.2
221.15424	38.1
222.15790	3.4
247.13402	2.7
265.14432	100.0
266.14749	7.5
289.07147	1.0
289.14459	2.9
307.15390	3.2
370.23792	0.6
407.07928	1.0
420.15680	0.8
427.19550	6.4
428.19968	0.9
469.20734	16.0
470.21112	1.6
538.29388	0.7
562.98615	0.6
581.24176	0.8
599.24530	0.9
643.23450	1.4
657.25879	0.9
674.37915	2.1
675.18866	1.1
675.28827	0.9
675.38556	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	1.4
59.01251	17.9
61.98689	4.1
71.01262	6.4
71.53562	2.1
71.53949	1.3
73.02805	2.7
78.31802	1.3
78.70399	1.2
78.95786	1.9
80.04917	4.0
83.01226	1.8
83.04900	3.0
85.02792	3.9
87.00753	1.3
89.02306	1.7
92.88716	1.3
94.02844	3.8
94.06478	3.8
96.95890	2.9
97.02809	2.4
98.02354	4.7
101.02293	3.7
104.04921	2.7
106.06477	4.5
107.03638	4.5
108.04419	3.8
108.08063	3.2
109.02810	2.1
110.02367	10.8
111.04395	14.4
112.04807	1.5
113.02309	2.2
114.78862	1.5
115.00161	1.4
120.04427	2.0
120.08092	12.2
122.06008	32.7
123.04372	1.6
124.03863	1.8
125.02375	6.3
127.01108	1.2
130.06491	1.7
132.04419	5.3
134.06007	6.4
136.03889	5.2
136.07576	1.6
137.02336	2.3
137.04697	1.7
137.09509	2.1
138.05453	3.8
139.02654	1.9
139.07527	1.7
147.05547	2.7
148.03934	3.1
150.05508	21.5
152.03458	9.0
152.07079	47.5
153.04211	1.6
153.07292	1.6
154.04956	3.6
155.10649	10.2
158.02333	2.4
160.03911	3.6
161.04597	3.1
162.05438	3.9
168.06561	1.8
171.10123	2.3
173.04521	2.8
174.05464	5.4
175.05107	1.3
176.03531	1.6
190.04982	6.6
199.09792	6.1
200.15208	1.2
201.10225	8.6
209.11842	8.3
211.08620	1.9
211.13399	6.3
213.10201	4.2
223.08665	1.6
224.09558	1.5
225.10237	2.0
227.12012	6.8
229.09795	14.4
229.13626	5.4
237.10248	5.5
237.14006	1.7
238.11034	1.4
239.11795	4.7
241.09778	2.6
243.11415	2.2
245.12877	3.8
251.08228	2.2
253.09525	2.9
255.11388	13.8
256.11847	2.1
257.12985	4.8
264.08887	2.0
265.09741	5.2
267.11325	2.9
269.13000	2.0
271.10654	1.5
273.12338	5.1
279.11255	4.9
281.09537	1.6
281.12976	4.9
283.10788	5.5
285.12357	3.5
289.07162	2.3
295.10764	5.8
297.12262	1.6
301.11914	22.3
302.12131	2.6
309.12357	2.7
313.11914	5.0
317.11298	2.9
319.12955	22.9
320.13565	1.6
323.10245	5.0
325.12003	12.2
326.12643	2.3
330.12079	1.9
341.11508	1.9
344.14020	2.5
355.12933	11.6
356.13593	2.0
358.11823	1.9
359.12646	2.2
372.13440	2.3
373.14084	2.3
374.14929	8.9
375.15582	1.5
386.11136	3.1
388.16879	10.1
389.17383	1.8
392.15958	4.2
400.12955	4.6
401.13480	2.4
404.20032	2.2
410.46701	1.3
416.16101	24.5
417.16528	3.4
418.17581	5.5
430.17850	3.2
434.17136	4.9
448.18704	1.7
480.21014	1.8
487.10382	1.7
531.25848	1.7
534.18597	1.9
537.25391	2.0
539.22595	3.4
547.29895	1.5
555.25800	2.8
557.23706	13.2
558.24603	2.9
581.23926	18.2
582.24023	3.1
599.25104	40.9
600.25580	6.0
601.22943	3.2
602.23956	3.2
615.24487	3.5
625.23053	12.1
631.27106	2.1
643.24060	72.1
644.24176	12.6
657.26300	7.9
658.25403	2.9
675.26624	100.0
675.35156	3.9
676.26746	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	675.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	14.0
61.98704	34.3
70.81583	3.3
71.01256	5.0
71.52628	3.2
76.56428	2.6
99.47866	3.0
106.06448	3.7
107.80122	2.9
108.04411	6.9
109.59569	3.0
114.03388	3.2
116.04951	10.6
118.06509	9.9
118.71126	3.3
120.08091	11.7
122.06013	7.6
124.07589	10.3
134.06010	29.1
142.02887	4.0
144.04460	13.0
145.07579	4.8
151.11229	4.3
152.07100	7.2
152.57419	3.1
156.08122	3.5
158.02460	2.9
158.09668	11.6
159.40623	2.9
160.03940	12.4
162.05533	12.7
167.03334	4.2
168.06590	5.3
169.12260	9.4
170.02417	7.1
174.05507	7.0
176.07077	34.8
186.01903	10.2
188.03448	45.3
201.10303	26.1
202.05032	18.0
209.11647	5.3
211.13434	16.2
214.01405	50.8
214.12308	8.0
220.06123	47.0
228.13255	3.9
238.11034	3.4
241.09790	3.3
246.04028	52.1
247.72786	2.9
251.11807	4.6
253.09718	3.9
253.13388	8.1
255.11267	10.7
255.15001	7.6
257.12973	33.1
271.14459	3.9
279.11404	8.4
279.61407	3.4
281.12875	5.9
297.12427	5.3
299.14047	5.6
306.12650	3.2
310.19205	3.6
317.15131	8.0
318.16037	4.3
323.10355	9.9
324.13605	7.4
336.17233	9.7
342.14679	24.3
372.19330	18.5
373.18973	3.4
392.20041	8.0
410.20679	7.8
428.16321	4.0
428.21866	100.0
429.22327	11.8
436.18918	5.6
454.19910	8.0
557.24011	12.9
563.22577	5.4
581.24139	34.7
582.23999	8.9
599.25085	11.6
607.21918	5.2
625.23090	74.0
626.23395	15.9
643.24017	29.1
643.33539	17.8
644.24078	7.9
657.25806	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	675.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65701	1.4
53.73652	1.4
59.01250	16.6
61.98709	2.5
67.95882	1.5
69.03323	2.2
69.43200	11.2
71.01250	4.5
80.04932	3.9
83.04890	3.7
85.02832	2.8
85.29768	1.4
89.02301	2.4
94.02862	2.2
94.06517	2.9
98.02361	4.8
98.19833	3.3
101.02340	3.0
104.04957	2.1
105.05762	1.7
107.03659	5.7
108.04404	2.8
108.08041	2.2
109.02821	2.4
110.02376	13.6
111.04395	15.3
113.02312	2.2
120.04453	2.1
120.08099	10.9
122.06014	39.8
123.04453	1.9
124.03904	2.4
125.02348	5.5
130.06522	1.9
132.04434	3.7
134.06021	5.1
136.03934	3.4
137.02321	4.0
138.05444	4.6
139.02620	2.2
147.05533	2.2
148.03990	2.6
150.05508	12.1
151.03926	2.8
152.03487	8.3
152.07088	51.6
154.04962	3.2
155.10667	2.5
160.03961	3.6
161.02359	1.6
162.05539	4.7
166.05005	2.0
168.06622	3.0
173.04543	4.6
174.05464	5.3
175.05153	1.6
190.05037	5.1
191.05351	2.1
196.55360	1.7
198.09070	1.9
201.10263	7.3
209.11757	7.1
210.12111	2.6
211.13455	7.6
213.10272	5.6
221.10785	1.7
223.08632	2.0
224.09503	2.1
225.10388	2.8
227.11749	10.2
229.09784	11.9
229.13393	4.5
230.11926	1.6
237.10286	5.8
239.11855	6.3
241.09795	3.5
245.12956	3.2
251.07925	1.9
251.11803	1.9
255.11301	14.4
257.12964	6.0
265.09805	5.5
267.11386	3.2
271.10913	3.4
273.12454	8.1
276.09720	1.7
279.11258	3.7
281.12970	3.8
283.10849	10.0
295.10870	5.9
296.11636	2.1
301.11938	21.8
302.12283	2.7
313.11813	4.7
319.13013	31.0
320.13470	4.0
323.10309	5.3
325.12033	11.0
326.12476	3.1
355.13016	9.6
372.13519	3.6
374.15198	9.6
383.21649	1.9
386.11319	1.9
388.16797	8.7
391.15631	2.6
392.16232	9.4
395.27188	1.7
398.15128	1.7
400.12860	4.5
416.16162	18.2
417.16245	2.7
434.17151	6.4
531.26819	2.5
539.23090	2.7
543.23145	1.9
547.31219	2.7
555.26245	2.5
557.23920	14.2
558.24689	4.3
581.24097	15.4
599.25116	41.7
600.25269	6.3
602.23743	4.3
604.25720	1.8
613.80664	1.8
625.23462	8.4
631.27765	2.9
643.24078	65.3
644.24548	15.6
657.25146	4.6
675.26715	100.0
676.27179	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88292	0.7
59.01247	3.6
61.98702	1.0
69.81288	0.8
71.01255	2.7
71.33505	2.0
71.49259	0.9
71.59051	0.8
78.00560	0.8
80.04929	1.5
85.02117	0.7
85.02817	1.0
89.02315	1.8
93.03382	1.1
94.06505	1.1
96.95882	1.6
101.02323	2.7
106.06528	1.1
108.04427	2.8
108.08071	15.1
113.02341	1.3
120.04464	1.9
121.02820	0.8
122.06004	12.8
124.07562	1.7
125.02343	2.1
127.03889	1.4
132.04425	8.0
134.05989	6.4
137.02419	1.0
146.02296	1.0
147.03197	1.4
148.03984	1.1
149.04724	1.1
150.04391	1.6
150.05516	20.3
152.07062	3.4
158.02361	2.8
160.03925	7.5
161.04501	1.2
162.05513	5.5
164.01057	1.0
173.04492	1.5
174.05580	1.3
176.03487	4.3
176.07056	3.4
190.05026	17.7
191.05492	1.4
192.06598	3.1
196.11388	1.0
198.04396	1.6
201.64270	0.8
209.11774	7.6
210.12187	3.0
211.12051	1.2
211.13609	1.3
212.10811	1.8
215.11858	3.3
223.08623	1.6
224.07454	1.0
224.09464	4.8
225.06775	1.1
226.07434	1.6
227.08118	3.6
227.12888	1.2
229.13420	2.0
238.08809	1.1
239.08185	2.4
239.11877	17.2
240.10246	2.6
240.12347	1.3
240.30125	0.9
241.09813	8.2
241.13362	1.1
250.07465	1.2
252.05281	1.2
253.06161	14.6
253.09691	3.1
254.06839	2.3
255.07671	2.3
255.11322	6.9
265.09796	3.6
266.08426	1.5
267.07718	7.4
268.08511	9.6
271.11456	1.7
271.14465	9.5
281.09393	9.9
282.09879	1.3
283.10883	100.0
284.11224	8.9
289.07413	1.8
297.12540	1.0
309.08813	20.4
310.09201	2.2
313.11835	1.0
315.13483	3.8
327.09882	11.8
341.11429	9.8
353.07343	1.3
359.12503	14.4
360.12888	1.5
385.10385	1.8
412.16599	1.1
418.17572	1.8
430.17755	1.7
474.16501	0.9
539.22961	1.6
581.24017	7.0
582.24310	1.1
583.21875	3.4
599.24829	1.2
615.24573	16.9
616.25055	3.9
625.22992	21.4
626.23413	4.9
643.24127	12.7
644.24011	2.9
657.25690	58.6
658.25970	17.6
675.26672	47.0
676.26874	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	675.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
57.03332	6.3
59.01250	15.9
61.98709	2.0
62.57193	1.1
64.26337	1.1
69.03315	2.7
70.55135	2.4
71.01247	4.8
72.99178	1.3
73.02818	2.8
78.95763	1.4
80.04919	7.7
83.01273	3.3
83.04889	1.1
85.02809	2.1
89.02287	1.9
93.03327	2.1
94.02872	3.7
94.06498	2.7
96.95916	1.7
97.02829	2.0
97.14393	1.1
99.00774	1.7
101.02309	4.4
104.04935	2.5
106.06531	2.9
107.03674	4.5
108.04428	3.2
109.02852	6.6
111.08064	1.1
113.02296	1.9
120.08120	2.4
121.02815	2.2
122.06001	25.9
123.04402	5.5
124.03954	3.2
125.02335	39.2
125.03255	2.0
126.02666	2.1
127.03916	1.7
132.04472	3.7
134.06027	5.8
136.03952	4.8
136.05045	1.2
137.02328	6.4
137.04665	1.4
138.05518	7.4
139.02644	2.1
146.06062	1.4
147.05571	2.2
148.03958	2.9
149.02353	1.5
150.05522	12.0
151.03889	5.0
152.07082	39.9
153.07497	1.9
155.10703	1.6
160.04028	1.6
161.02364	6.8
161.05930	1.9
163.03879	1.8
164.01085	2.6
165.01843	2.9
173.04498	3.3
174.05519	2.9
175.02469	1.7
175.03777	1.6
175.05122	2.5
177.01857	1.9
179.03465	1.8
179.05673	1.5
179.07082	5.2
185.00829	1.4
187.03958	1.9
190.05008	3.9
191.05508	2.9
201.10251	12.5
202.10704	1.4
203.07045	3.3
205.01297	1.1
205.04927	2.2
213.10248	9.1
214.10916	1.4
219.06659	2.2
223.09866	7.9
223.11789	1.4
224.09895	2.0
225.10275	1.9
227.11800	6.6
229.09793	20.8
229.13298	7.4
230.10034	1.8
237.10283	3.1
239.11833	8.8
241.09782	2.8
243.11378	1.7
245.04572	1.5
245.08189	2.8
245.12914	10.6
247.10855	3.4
253.09973	2.1
255.11424	8.5
257.12961	4.8
265.09729	3.6
267.11420	3.1
271.06223	2.0
273.12418	4.0
275.13971	1.4
284.71295	1.1
285.12585	1.6
287.05655	1.9
289.07227	19.5
289.11771	5.6
290.07602	2.2
291.07599	1.4
293.09378	1.2
295.10898	2.7
297.12509	1.4
301.11948	19.8
302.12332	3.2
302.50189	1.4
309.12579	2.8
313.12036	5.8
314.12366	1.3
319.12991	84.0
320.13254	5.8
323.10382	7.3
325.11978	3.6
327.13412	3.9
339.09052	1.9
355.13031	6.4
356.13687	1.7
358.11963	2.1
360.13535	1.6
362.15164	1.4
371.11139	2.2
372.13577	2.8
374.15125	9.9
385.12625	5.7
387.14786	2.6
391.15579	2.4
392.16223	10.1
393.16626	1.5
400.12650	2.3
401.13614	1.2
403.14993	3.0
407.07767	5.2
416.16055	7.6
418.13928	1.6
433.16891	1.6
434.17325	5.7
446.17172	2.9
451.10483	2.9
505.15097	8.8
506.15323	1.9
523.15997	7.7
531.26251	2.1
539.22754	2.6
557.24030	20.3
558.24390	4.9
571.25543	1.5
581.24042	7.7
582.24182	2.2
583.22052	2.4
590.16766	1.2
599.25079	79.7
600.25580	16.4
602.23566	4.0
613.22717	1.7
625.23016	3.0
643.24072	100.0
644.24298	21.9
675.27362	27.6
675.37439	4.4
676.27289	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	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63672	0.4
55.01757	2.1
57.03321	1.5
58.00475	2.4
58.52118	0.4
59.01254	57.3
60.01591	0.5
69.03316	2.8
71.01256	43.5
71.29536	0.8
72.01564	0.7
72.99176	2.4
73.02815	7.0
75.00753	1.0
77.56239	0.5
81.03329	1.7
81.52077	0.4
83.01259	4.8
83.04863	0.5
85.02828	8.6
87.00751	9.7
89.02319	34.7
91.03903	0.9
95.01256	2.8
95.91434	0.5
97.02339	0.6
97.02836	5.9
99.00761	2.5
99.04416	0.7
101.02326	33.6
102.02705	0.7
105.85130	0.5
109.02848	0.8
111.00760	0.9
111.04416	1.2
112.01528	0.6
113.02336	18.9
115.03934	0.9
117.80343	0.4
119.03380	10.6
121.02833	0.7
123.00772	0.6
125.02336	15.2
127.07578	0.5
131.03387	1.9
133.04985	0.6
137.02330	0.5
139.03899	1.4
143.03406	6.7
149.04463	1.2
159.06602	0.4
161.04468	9.4
167.03378	0.7
179.05539	7.7
184.02481	0.5
185.04413	1.2
199.06120	0.7
203.05406	0.5
217.07002	1.1
221.06665	2.7
233.22827	0.7
235.08209	14.7
236.08638	0.8
245.06575	1.3
250.66020	0.5
253.09256	5.0
263.07697	1.9
277.09409	1.3
277.21722	100.0
278.22046	9.2
287.07730	3.8
305.08856	3.9
323.09882	1.7
379.12561	0.9
397.13492	86.2
398.13843	8.0
415.14566	36.2
416.15012	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03321	1.1
58.00466	2.7
59.01254	49.1
60.01576	0.5
61.98697	1.2
67.01752	0.3
68.99695	0.4
69.03330	3.1
71.01254	42.4
72.01582	0.4
72.99174	3.3
73.02824	7.7
75.00755	1.1
81.03329	2.2
83.01258	5.1
83.04913	0.5
85.02826	8.8
85.99976	0.4
87.00758	9.7
87.04401	0.4
89.02320	37.0
90.02650	0.7
91.03896	0.8
93.03323	0.6
95.01261	3.2
97.02833	6.6
97.35859	0.2
98.19741	0.6
99.00758	2.6
99.04396	0.5
101.02325	35.4
102.02644	0.7
103.03891	0.6
109.02868	0.8
111.00801	0.7
111.04417	1.0
113.02332	17.5
113.05884	0.3
114.02681	0.3
115.03902	1.0
119.03385	12.2
120.03780	0.4
121.02859	0.5
122.39920	0.3
123.00765	0.4
123.04458	0.3
124.01610	0.5
125.02338	14.6
126.69575	0.3
127.03937	0.4
128.11848	0.2
131.03412	1.8
133.04955	1.3
137.02332	0.5
139.03934	1.2
141.01863	0.6
142.02652	0.3
143.03409	6.6
144.03639	0.3
149.02364	0.4
149.04451	1.3
150.04846	0.3
151.03934	0.3
152.99509	0.3
155.03406	0.3
157.45348	0.3
161.04474	8.6
162.04796	0.5
167.03403	1.1
169.04985	0.4
171.03001	0.4
179.03815	0.3
179.05537	7.0
185.04460	0.9
185.47035	0.3
199.06009	0.7
217.07111	1.5
219.05064	0.6
221.06616	3.2
231.47913	0.3
235.08185	15.2
236.08522	0.7
245.06789	0.7
253.09276	4.6
259.20609	0.5
263.07672	1.5
275.20181	0.6
277.09332	1.2
277.21719	100.0
278.22034	10.0
283.08383	0.4
287.07761	3.5
288.08139	0.3
291.23166	0.3
305.08804	3.9
323.09821	2.2
361.11441	1.0
379.12427	1.3
397.13495	82.7
398.13818	8.4
415.14560	35.1
416.14951	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	676.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
57.12695	0.5
58.02840	3.4
59.01255	5.9
59.51605	0.5
61.98698	1.5
69.03307	0.7
70.98856	0.6
71.01257	3.1
71.53605	0.9
72.00773	0.9
73.02824	1.6
74.02347	12.0
81.04435	1.1
82.02842	2.0
83.01261	1.5
84.04458	0.6
85.02835	1.7
86.02351	3.1
87.00742	0.6
87.05522	2.9
89.02309	1.9
90.00090	1.1
93.03331	0.9
95.01282	0.8
96.95927	1.1
97.02858	1.3
97.03941	1.6
97.12850	0.6
99.05532	9.4
101.02311	2.0
101.07088	0.8
102.05487	1.3
108.02084	0.6
109.02826	5.2
109.03956	1.3
110.05943	0.5
112.03941	0.9
113.02316	1.2
113.03448	2.0
113.56606	0.5
120.01115	0.7
123.04399	2.8
123.28937	0.6
125.02332	3.4
125.03386	1.0
126.01854	0.7
126.02700	0.7
127.05015	1.6
128.02507	1.1
128.03427	19.9
128.04378	1.0
129.03745	0.7
132.08380	0.7
133.02803	0.6
135.04402	1.6
135.05533	1.5
137.02321	1.7
137.07152	0.5
139.03845	0.8
141.06551	2.1
143.04524	29.8
145.06114	1.4
146.04489	2.4
149.02374	1.0
151.00157	0.6
151.03899	0.8
153.06572	2.0
155.10681	1.8
160.00652	7.1
161.02347	1.2
161.04602	1.0
161.05974	1.1
161.09560	0.6
164.10715	0.9
166.09756	2.1
167.03299	0.7
167.04561	2.3
167.08231	1.2
170.03246	0.9
173.04445	1.7
177.03288	2.7
179.04601	5.4
180.11032	0.7
181.06126	1.4
185.05559	0.8
187.03926	0.9
188.04774	0.7
191.05507	2.2
192.07788	0.6
197.05685	1.4
203.07083	1.0
205.05006	1.5
205.08574	0.8
207.10129	0.8
210.08801	7.1
217.08687	1.5
232.49188	0.6
242.07635	0.6
245.08118	1.1
246.08621	0.6
253.34470	0.6
254.07854	6.1
264.17194	0.8
266.82343	0.6
272.08859	13.2
273.09256	0.9
288.06622	3.8
289.07065	2.0
306.07654	100.0
307.07956	6.9
308.16193	2.5
342.14920	9.2
369.13434	8.4
386.13812	4.5
429.21246	1.7
471.22369	0.8
659.62555	0.6
676.21869	1.7
677.23254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29852	1.5
59.01248	18.1
61.98707	8.3
69.03324	3.5
71.01251	7.3
71.53433	3.0
73.02826	3.9
75.44732	1.6
80.04916	4.3
82.95304	2.3
83.01256	3.0
83.04909	1.7
85.02833	3.8
89.02271	2.6
89.38644	1.8
94.06509	13.4
96.04423	4.8
96.95861	3.0
97.02824	1.9
101.02314	5.0
107.03649	4.8
108.04423	7.0
110.06010	13.6
113.02348	2.1
120.08103	4.2
122.06002	25.5
123.08183	1.6
125.02287	3.3
130.06499	2.4
132.04460	2.5
134.05998	4.8
135.04588	1.7
135.05550	8.7
136.07596	2.2
137.02330	2.0
152.07076	52.6
153.07437	3.2
155.10645	2.5
160.03966	6.0
161.04668	5.0
162.05470	4.8
172.11249	3.0
173.04547	3.0
174.05539	5.9
178.05153	1.7
185.11702	3.4
187.08630	2.0
188.10736	2.4
189.10316	2.7
190.05011	4.0
190.12254	6.6
191.05598	2.3
195.13799	2.0
201.10236	2.1
209.11832	4.2
210.07893	2.4
212.13651	1.9
215.11865	15.3
217.13443	21.8
223.08649	2.4
224.09503	3.6
225.10248	13.4
227.11836	2.8
234.11304	2.6
237.10268	11.6
238.10873	2.4
239.11818	3.3
245.12866	2.5
250.07437	1.9
251.08308	3.6
259.10858	5.7
261.12466	28.2
262.12900	1.7
265.09824	4.2
267.11273	2.2
275.14124	2.3
279.11420	5.5
283.10666	1.8
295.10870	6.0
296.11444	1.8
300.02771	2.3
307.10635	2.1
309.21533	1.8
313.11902	4.1
321.14636	7.9
323.10403	3.8
325.11911	15.4
326.12619	3.2
332.06326	1.7
332.17712	4.0
334.15573	8.2
347.12390	3.4
355.13126	9.2
360.13562	6.6
375.15747	5.3
376.16571	15.3
385.25949	5.9
388.16602	6.9
389.17047	2.2
394.17679	2.1
429.24564	4.2
497.25043	2.1
499.23862	3.5
518.02600	2.1
541.24677	14.2
542.24573	2.1
559.25476	17.2
560.26080	2.9
583.24854	2.5
585.23474	17.5
586.24146	3.7
601.26605	16.0
603.24469	4.0
617.26007	16.2
618.27069	2.2
633.31451	9.4
645.25580	32.3
646.26056	6.8
659.25470	2.2
677.28174	100.0
678.28516	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	677.2822
Annotation	1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin
Peak:m/z	Relative Intensity
59.01243	12.4
60.59238	1.0
61.98704	2.5
69.03342	1.2
71.01249	4.1
73.02818	1.7
80.04928	3.7
83.01278	1.4
85.02871	1.7
89.02319	2.4
94.02853	1.3
94.06504	7.7
96.04400	5.5
96.95860	1.9
101.02322	3.7
103.14206	1.1
104.04923	1.7
106.06470	1.5
107.03633	4.2
108.04418	4.6
109.70766	1.3
110.06005	9.2
113.02316	1.7
119.03397	1.3
120.08076	5.3
122.06010	25.1
123.04391	1.5
125.02310	3.6
132.04396	3.1
134.05989	4.8
135.04538	1.9
135.05540	8.2
136.07524	1.5
138.05521	1.3
139.02641	1.6
148.03941	1.3
150.05511	2.6
151.00301	1.3
151.03877	1.7
152.07077	45.0
153.07423	2.8
155.10667	4.4
159.95361	1.1
160.03925	3.6
161.04680	4.0
162.05498	2.7
165.12596	1.2
172.11200	1.8
173.04495	3.9
174.05496	4.9
187.08824	1.9
188.10695	2.8
189.10272	2.8
189.69177	1.1
190.05020	3.7
190.12242	4.2
191.05595	2.2
199.09784	1.7
201.10298	2.4
209.11787	1.8
210.07886	2.8
215.11829	16.7
216.12189	2.3
217.13409	19.8
220.39812	1.2
221.10793	1.6
223.16936	1.8
224.09439	3.1
225.10292	13.3
234.11360	3.2
237.10310	10.2
238.10715	1.7
239.11845	3.2
245.12909	2.1
251.08189	2.8
251.11844	1.4
252.08968	1.4
259.10880	4.3
261.09894	2.0
261.12427	24.5
262.12762	2.6
265.09781	5.8
267.11212	2.5
267.15942	4.1
275.13904	1.8
279.11365	4.4
283.10663	1.6
295.10843	4.8
297.12488	1.9
299.01923	3.3
300.02792	1.9
313.11862	2.2
315.74960	1.1
320.13748	2.0
321.14548	10.6
323.10248	4.7
325.11938	13.4
326.12509	2.5
332.17618	2.9
333.14737	2.4
334.15576	7.0
346.12024	2.3
346.15967	1.3
347.12625	3.2
355.12933	7.6
360.13388	3.7
375.15918	4.7
376.16620	14.3
377.17026	1.8
388.16629	7.2
389.17331	2.8
390.17990	1.5
394.17749	1.7
403.18744	1.8
418.17004	1.4
430.17297	1.2
436.18771	3.4
444.19196	1.7
468.18231	1.8
497.25940	1.7
499.23483	4.1
527.22198	1.5
541.24561	16.7
542.24799	2.9
559.25842	12.7
583.24493	1.6
585.23511	22.6
586.23785	3.7
601.26727	18.5
602.26801	3.4
603.24622	3.0
604.24994	2.0
617.26251	12.4
618.26215	2.2
627.22443	2.2
633.29041	2.2
645.25562	32.6
646.26276	6.8
659.26508	1.6
677.28192	100.0
678.28461	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10986	1.0
51.40620	1.0
56.99414	1.1
57.03321	11.9
57.05664	1.1
59.01253	84.1
60.87032	1.1
61.98711	2.1
69.03331	4.2
69.58382	2.7
69.58784	6.7
71.01257	14.0
71.04886	1.8
72.99211	1.6
73.02827	14.8
74.30730	1.1
75.00764	1.5
83.01268	2.9
83.04919	1.8
83.38298	1.2
85.02822	9.2
85.94817	1.0
87.00740	2.1
87.04393	14.5
89.02322	1.8
93.03326	1.5
96.95904	3.1
97.06516	1.7
99.00792	1.3
99.04406	2.3
99.08055	4.8
101.02334	8.3
101.05952	1.2
109.06477	3.0
111.04437	1.7
111.08052	4.3
113.02318	3.8
113.09644	1.2
113.17830	1.1
120.08530	1.2
121.06519	2.1
121.10121	2.2
123.04410	2.3
123.08045	4.6
125.02317	3.1
125.09612	6.5
127.07578	1.8
129.09140	3.2
135.04425	1.5
137.09630	4.9
139.07570	2.3
143.10695	2.4
152.07034	1.4
153.09154	8.2
155.10677	3.4
155.79506	1.1
159.10197	4.7
161.04518	1.7
165.05371	1.2
165.09155	3.6
169.08632	17.3
170.08772	1.2
171.10262	2.2
173.11800	6.2
174.63225	1.2
179.10699	2.1
181.12233	1.6
185.00787	2.2
185.11769	3.3
187.13315	3.1
191.05515	1.4
193.08649	1.5
199.13307	1.3
217.14406	57.7
218.14792	3.5
223.16936	6.6
231.16000	1.3
241.14348	9.5
259.15512	4.6
267.16080	8.7
274.54678	1.2
291.09662	1.2
307.22574	1.5
325.23743	10.0
334.78381	1.3
351.21732	1.8
369.22797	11.9
370.23471	1.9
387.23941	7.2
391.19183	1.2
393.22876	4.6
405.79056	1.3
411.23782	1.5
429.24924	100.0
430.25204	12.8
453.24506	1.9
471.21533	1.5
510.70187	1.2
645.22650	2.4
658.82404	1.2
659.23755	1.5
664.92334	1.4
677.37823	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52792	0.2
59.01256	1.1
62.18278	0.2
69.03329	0.6
69.50028	0.9
69.50455	1.0
71.01258	0.9
72.30241	0.3
73.02805	0.3
80.04906	0.5
81.03330	7.5
83.04898	19.7
84.05235	0.5
85.02807	0.4
89.02289	0.3
91.62437	0.2
93.03314	0.3
96.95874	1.2
101.02316	0.7
107.06077	0.3
108.04407	0.7
109.02853	0.3
113.02322	0.6
122.02330	0.3
125.02343	0.4
125.07108	1.6
126.05504	0.7
135.04417	0.3
139.17410	0.2
143.08148	0.7
173.04442	0.4
178.99773	0.3
181.17279	0.2
185.00871	0.3
185.74838	0.2
191.05441	0.5
199.18077	0.4
207.14944	2.0
208.13269	0.3
224.17680	3.2
225.16043	13.4
226.16438	0.9
242.18733	0.8
247.03474	0.5
283.04980	0.3
300.02625	0.5
309.21747	0.9
324.26535	1.1
331.04388	0.3
333.22968	1.0
341.29324	1.3
351.24002	0.3
367.27112	0.9
385.28210	0.3
400.09494	0.3
407.33838	0.4
433.31885	1.7
450.34567	1.9
451.32913	6.9
452.33286	0.9
550.43420	0.9
559.40125	0.4
565.44531	0.5
593.43964	1.1
616.53589	0.3
659.48950	1.9
677.49689	100.0
678.49963	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1513
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
50.37611	0.5
65.00179	0.5
71.28268	0.4
78.46573	0.4
107.01276	1.2
132.02066	1.1
135.00748	1.4
151.00258	2.4
154.85194	0.5
163.00296	0.5
164.00977	0.6
178.99791	1.5
179.81996	0.5
181.82439	0.5
183.04433	1.6
187.03873	1.0
188.26894	0.5
193.21155	0.5
200.04695	0.5
211.03955	2.3
227.03445	42.0
228.03799	4.1
229.04944	1.0
239.03452	0.7
255.02962	73.9
256.03461	8.5
257.04562	1.1
283.02539	1.4
284.03256	85.5
285.03876	13.3
313.91696	0.5
471.09219	1.6
473.10532	0.7
489.10281	1.0
493.13342	0.5
540.14685	0.5
635.16156	100.0
636.16486	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45808	0.3
57.03326	0.5
59.01254	4.3
61.98689	0.3
65.00215	0.5
69.03327	0.6
71.01261	2.0
71.52913	0.5
72.99177	0.3
73.02817	1.4
83.01267	0.5
83.04934	0.3
84.01336	0.2
85.02843	0.9
87.72289	0.2
89.02320	0.6
93.03341	0.4
96.95893	0.7
97.02839	0.3
97.06472	0.3
99.00747	0.4
101.02348	1.0
109.02846	0.3
113.02364	0.9
125.02341	0.6
135.04436	0.6
137.02359	0.3
139.03903	0.3
143.03401	0.3
151.00229	0.4
155.10716	0.8
162.03114	0.3
165.01855	2.8
165.12753	0.3
169.86945	0.3
174.03241	0.4
179.03477	0.4
185.00804	0.3
191.05580	0.3
191.10611	0.4
193.01289	0.4
198.03125	0.6
199.03937	0.8
199.09605	0.3
209.11787	1.1
213.05324	0.3
214.02936	0.4
215.03470	0.4
215.36093	0.3
226.02710	1.2
227.03394	1.4
233.04543	0.7
241.05089	0.7
242.02222	2.3
243.02919	1.6
254.02173	1.9
255.02904	2.0
256.03809	0.4
257.04602	1.8
264.80920	0.3
266.60886	0.3
269.04614	2.9
270.01736	2.1
271.02493	25.7
272.02829	2.1
283.02560	0.7
284.03287	1.0
285.04025	4.7
286.04626	0.9
299.01987	67.6
300.02402	4.9
300.05710	0.6
313.03558	11.1
313.07257	0.6
314.04318	100.0
315.04672	9.4
327.05161	1.6
328.05814	3.2
329.06668	41.4
330.06998	4.1
338.04254	0.5
353.06793	0.4
371.07739	0.4
373.16501	0.3
404.79214	0.3
431.24277	1.3
457.26175	0.3
473.10986	0.7
515.11731	0.5
517.29901	0.4
619.16693	7.3
620.16724	1.5
625.13098	0.3
635.16687	0.4
637.17749	24.5
638.17957	4.7
679.18756	35.7
680.19141	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	681.1671
Annotation	Haploside D
Peak:m/z	Relative Intensity
51.81215	0.6
55.35461	0.6
59.01262	1.3
62.81670	0.5
63.02275	0.8
65.00213	2.1
71.01260	0.8
72.66826	0.5
81.91292	0.5
83.01273	1.2
84.58842	0.6
84.97797	0.6
98.53063	0.5
99.00801	0.6
107.01289	2.3
108.02042	0.8
109.99967	3.8
111.00793	2.3
121.02872	1.1
122.02400	0.7
123.00750	1.0
124.01566	0.8
125.02301	2.7
135.00725	0.6
135.81541	0.7
136.01503	0.7
136.98749	1.1
137.99474	1.3
139.00256	5.2
139.03906	2.0
143.04921	1.3
149.02357	3.8
151.00266	9.1
151.03903	1.8
152.00876	0.9
159.04416	1.7
161.02321	1.3
163.00275	5.8
164.01060	2.0
164.98218	2.2
165.10933	0.6
165.98994	6.4
166.99744	1.6
169.01443	1.0
169.02824	0.6
171.04480	3.1
173.02309	1.4
173.04321	0.6
175.00250	3.1
175.03870	1.2
177.01881	1.1
177.99034	1.4
178.99785	10.1
185.02351	0.9
187.03908	4.3
189.01854	3.0
193.98509	2.6
197.02379	0.8
199.03979	3.1
201.01872	0.9
202.02512	1.3
203.03490	3.4
211.39201	0.6
213.02034	1.3
214.02675	1.9
215.03471	10.1
215.31795	0.6
216.03946	1.0
217.01335	1.9
219.02925	0.6
219.50996	0.6
225.01720	0.6
226.02634	1.2
227.03455	0.9
229.01402	2.0
230.02313	1.4
231.02950	6.0
241.01433	4.3
242.02046	2.7
243.02931	8.0
244.03421	1.1
245.00821	1.3
254.01956	0.7
255.03004	1.6
256.03561	0.9
258.01672	3.0
259.02426	10.6
260.02802	1.1
269.00934	1.4
270.01712	4.1
271.02487	6.7
272.03098	2.8
279.20407	0.6
284.03189	1.1
285.03949	0.9
286.01031	2.7
287.01978	100.0
288.02298	8.7
297.00342	1.0
298.01083	2.7
299.01962	2.3
300.02725	1.9
301.03488	2.7
302.03879	0.9
313.03461	2.2
315.01480	49.6
316.02103	18.8
317.02429	1.1
329.02945	1.7
330.03796	27.7
331.04547	15.0
332.04910	1.5
349.21463	0.7
492.17633	0.6
517.09479	1.0
607.23822	0.6
621.14441	1.0
637.16064	0.7
639.15430	3.3
663.16046	1.2
681.16663	99.5
682.16962	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78177	1.1
57.63228	1.0
59.01246	2.3
65.00199	1.5
69.67601	8.8
71.01247	1.3
72.73428	1.3
79.01777	1.5
81.03371	1.6
83.01264	3.5
85.02827	2.4
89.85960	1.1
93.03358	8.1
97.02837	3.5
106.04910	1.2
107.01272	6.9
107.04943	1.7
109.02834	4.8
111.04392	3.3
118.29979	1.1
119.04921	44.7
120.05245	2.6
121.02831	6.7
123.00794	2.5
123.04401	3.3
125.02338	9.0
135.00682	1.2
135.04411	4.6
137.02362	5.5
139.03925	4.9
143.04924	5.4
145.02844	8.0
147.04428	1.6
149.02382	5.2
149.04402	2.2
150.03192	1.8
151.00243	6.4
151.03934	2.7
161.02373	2.4
161.05971	1.8
163.00307	4.5
163.03949	13.2
164.04501	1.4
165.01837	8.5
167.03448	9.5
173.04503	3.1
173.05887	1.4
175.04074	1.5
177.01794	5.8
179.03429	4.5
181.04967	1.5
187.03908	7.7
189.01981	1.4
191.03458	3.7
191.05475	2.4
193.01308	8.5
197.04454	2.0
199.07614	2.4
201.05464	1.4
203.03563	1.6
205.01385	7.4
207.02908	3.8
209.04532	3.6
219.02979	3.4
223.02451	2.0
227.07191	2.7
233.04497	1.4
235.02463	13.8
239.05400	1.5
242.02098	1.4
244.19493	1.2
245.08249	1.4
247.02367	2.7
249.04091	2.5
265.03500	3.4
269.08157	1.7
270.01749	2.0
271.02911	2.1
271.06143	6.9
277.03690	1.4
283.06140	2.8
300.02765	3.2
301.07474	1.5
313.03522	8.7
313.07205	15.0
314.04001	1.8
314.07568	2.5
315.05078	7.4
325.07315	6.9
339.08630	1.5
343.08292	7.0
355.08218	100.0
356.08606	10.6
367.08267	3.9
385.09256	74.6
386.09625	11.3
397.09357	3.6
415.10370	19.8
416.10834	3.1
427.10406	2.0
433.11356	1.7
439.10321	3.2
457.11337	8.1
458.11679	2.3
469.11575	1.5
475.12424	26.0
476.09070	1.6
477.10223	2.6
487.12698	5.5
499.12485	1.8
505.13644	4.7
517.13434	15.2
518.14148	2.5
519.11505	5.0
529.13159	2.0
547.14398	5.2
577.15533	2.1
595.16595	25.3
596.17114	4.6
619.16345	1.8
637.17706	31.3
638.08490	1.5
638.17712	7.1
681.16949	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	681.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
59.01254	1.3
62.77308	0.9
71.01245	1.3
71.51061	1.3
74.54722	0.9
75.00744	10.4
85.02840	1.7
87.00751	5.9
93.03330	3.4
96.57420	0.9
101.53027	0.9
105.01817	7.6
109.02855	1.1
111.04419	1.1
129.01862	3.3
134.03638	3.1
135.04427	28.3
135.05453	2.1
136.04735	1.1
137.02347	1.5
147.02924	2.4
158.37135	1.0
165.03963	100.0
166.04298	3.1
173.04468	20.8
179.03415	31.4
180.03839	1.7
191.05528	21.4
204.74876	1.0
327.03296	1.2
327.07193	25.2
328.07486	2.0
353.08768	23.0
354.09091	2.1
366.66208	1.0
405.16867	1.2
456.01022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28366	0.2
57.03320	0.2
59.00995	0.2
59.01256	3.2
61.98697	1.1
65.00200	0.5
69.03329	1.6
69.58962	1.3
71.01258	1.2
72.01589	0.2
72.99188	0.2
73.02821	0.7
83.01280	0.4
83.04919	0.3
85.02802	0.5
89.02318	0.2
93.03320	0.4
94.57847	0.2
95.01247	0.4
96.95879	0.5
97.02818	1.0
99.00762	0.4
101.02329	0.6
113.02364	0.2
121.02879	0.4
124.01553	6.6
125.02327	0.5
136.00630	0.2
136.05196	1.7
137.02365	0.3
139.03932	1.7
149.05969	0.7
149.99500	0.4
150.06743	0.2
152.01062	21.4
153.01378	0.8
155.10686	0.2
162.06827	0.3
163.07568	0.4
165.01852	2.3
165.09125	1.0
167.03389	0.3
173.04567	0.4
173.05963	2.2
174.01582	0.4
185.00819	1.1
191.05510	0.3
209.06053	0.2
210.06799	3.3
211.07153	0.4
219.53798	0.2
237.05486	0.8
238.03914	0.4
238.06320	6.8
239.06709	0.7
253.08684	7.1
254.08995	0.6
256.07407	2.0
267.10263	0.2
271.09750	100.0
272.10101	8.5
289.07150	0.2
311.22144	0.3
337.10974	0.2
379.94925	0.2
419.28128	0.9
433.25815	1.1
459.31467	0.3
476.31470	0.4
477.32224	2.7
602.52966	0.2
611.72968	0.2
621.36292	0.3
637.33276	0.2
639.37799	0.2
681.36450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98822	0.2
53.19600	0.2
59.68867	0.2
61.98704	100.0
92.29005	0.2
129.98634	0.2
133.02896	0.2
136.98953	0.2
185.11769	1.1
185.68759	0.2
263.43109	0.2
277.21823	0.7
393.26047	0.2
445.23563	0.4
490.12357	0.2
712.07056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	32.9
71.53435	15.6
79.47323	10.5
83.01260	18.8
85.02826	24.4
99.00770	22.2
107.01237	14.0
109.02820	14.8
111.00746	15.3
114.97579	11.4
123.00761	31.8
125.02296	21.0
126.10781	12.9
133.02802	12.6
135.04416	19.8
137.02342	29.0
139.00261	18.2
141.01875	12.0
148.01614	29.1
149.02370	15.9
151.00287	37.1
161.02362	21.7
162.01929	15.2
163.00200	23.4
164.01060	14.3
164.03455	16.9
166.99767	35.9
177.01875	24.8
178.99774	39.1
179.03345	17.5
180.02991	16.7
191.01923	13.9
191.05554	23.5
192.00606	28.0
193.01338	32.4
202.01268	16.4
220.02420	23.1
230.00821	16.4
243.02898	14.5
246.00313	14.3
255.02814	23.6
259.02560	12.5
271.02368	38.7
287.02036	50.3
294.04218	19.0
300.02719	25.6
301.86874	13.3
311.04202	13.3
315.01346	63.9
316.02216	54.0
317.03033	32.6
329.02939	15.5
337.02231	20.1
338.03030	67.1
355.03259	53.5
356.03961	80.1
373.04346	30.6
501.12341	29.9
517.11621	22.3
519.13281	26.9
521.09467	20.1
546.14386	32.5
556.12634	19.9
637.14160	17.5
639.15063	15.7
664.14984	76.4
682.15356	100.0
683.15607	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	32.9
71.53435	15.6
79.47323	10.5
83.01260	18.8
85.02826	24.4
99.00770	22.2
107.01237	14.0
109.02820	14.8
111.00746	15.3
114.97579	11.4
123.00761	31.8
125.02296	21.0
126.10781	12.9
133.02802	12.6
135.04416	19.8
137.02342	29.0
139.00261	18.2
141.01875	12.0
148.01614	29.1
149.02370	15.9
151.00287	37.1
161.02362	21.7
162.01929	15.2
163.00200	23.4
164.01060	14.3
164.03455	16.9
166.99767	35.9
177.01875	24.8
178.99774	39.1
179.03345	17.5
180.02991	16.7
191.01923	13.9
191.05554	23.5
192.00606	28.0
193.01338	32.4
202.01268	16.4
220.02420	23.1
230.00821	16.4
243.02898	14.5
246.00313	14.3
255.02814	23.6
259.02560	12.5
271.02368	38.7
287.02036	50.3
294.04218	19.0
300.02719	25.6
301.86874	13.3
311.04202	13.3
315.01346	63.9
316.02216	54.0
317.03033	32.6
329.02939	15.5
337.02231	20.1
338.03030	67.1
355.03259	53.5
356.03961	80.1
373.04346	30.6
501.12341	29.9
517.11621	22.3
519.13281	26.9
521.09467	20.1
546.14386	32.5
556.12634	19.9
637.14160	17.5
639.15063	15.7
664.14984	76.4
682.15356	100.0
683.15607	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01235	2.1
65.03812	0.9
68.99662	1.1
69.03325	1.7
69.16758	7.4
70.50495	0.6
71.01247	1.9
72.35136	0.7
77.34945	0.7
81.03334	8.8
83.01249	6.9
85.02848	1.3
93.03327	5.5
95.01262	1.4
95.04900	5.0
97.02831	4.2
99.04385	2.8
101.02347	1.1
107.04901	2.1
109.02827	3.8
109.06525	1.1
111.00739	0.8
111.04385	2.7
113.02335	2.2
113.75623	0.8
119.04919	8.9
121.02862	4.5
121.06455	1.6
122.03613	1.0
123.04413	14.0
125.02338	10.8
134.35789	0.6
135.04456	4.0
136.04938	0.8
137.02341	4.3
137.05995	6.3
139.03909	9.3
147.04436	3.2
149.02370	1.3
149.05933	1.3
151.03914	2.2
151.17430	0.6
153.05464	2.0
155.08299	0.7
155.43904	0.8
159.04408	0.8
161.05984	1.5
163.03931	3.5
163.07573	1.3
165.01826	2.5
165.05533	6.1
166.02640	1.3
167.03412	25.2
177.01839	0.9
177.05495	2.0
179.03423	7.5
179.07066	1.6
180.03998	0.7
181.05003	1.8
189.05481	6.4
191.03464	2.4
193.05045	3.8
197.04530	3.3
203.07104	0.7
207.06505	1.7
209.04503	24.5
210.04871	1.4
221.04495	3.9
223.06236	0.7
229.08578	1.5
233.04575	0.9
239.05606	9.3
251.05597	3.8
263.05713	1.3
269.06665	1.1
271.86319	0.8
273.07675	2.5
279.27893	0.7
281.06628	1.7
285.07684	1.0
315.08768	14.5
316.09003	1.5
327.08798	4.8
339.08948	1.0
345.09848	5.2
345.13742	1.1
355.08319	1.0
357.09784	100.0
358.10165	9.5
369.09860	3.8
387.10855	71.0
388.11169	8.7
399.10812	2.9
417.11914	23.6
418.12170	2.8
429.11819	1.8
441.11990	2.0
459.12820	4.0
460.13284	1.1
471.12766	1.8
477.14001	21.1
478.14557	2.4
489.13879	4.0
501.14081	2.5
507.14941	1.6
519.15253	6.4
520.15436	1.1
531.15118	2.6
549.16058	1.7
564.02759	0.9
597.18219	2.2
598.18744	0.8
639.18768	3.7
683.18475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1832
Annotation	3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone 5-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
54.59644	2.7
55.26046	2.7
56.81405	2.7
59.01237	7.4
70.83995	6.6
70.84334	3.7
70.89261	2.8
71.01231	5.3
72.99171	3.0
86.91617	2.8
89.01247	2.4
89.02303	3.2
92.05003	2.5
119.04930	4.9
123.04411	3.3
133.02849	6.3
134.03624	5.2
135.04416	100.0
136.04744	3.0
149.04431	3.7
160.71642	2.6
161.02370	35.1
163.03925	3.7
173.04448	4.6
179.03423	81.4
180.03760	3.8
191.05502	5.2
197.04523	5.0
206.01582	2.9
268.12326	3.2
299.05536	4.1
315.01425	3.3
323.07755	6.9
341.08893	24.8
355.08282	4.6
355.12549	2.8
356.08594	5.1
357.08618	3.5
359.07681	29.8
360.08237	3.9
373.41147	2.7
378.97351	2.7
379.03345	3.1
387.09659	3.8
431.14694	5.0
477.13055	3.8
503.13904	8.2
521.13031	38.6
521.20233	6.3
522.13263	3.0
593.20282	4.1
639.18274	6.2
683.18323	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	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65627	0.6
58.00466	1.1
59.01252	30.1
64.96948	0.7
66.55791	0.7
71.01254	25.7
71.51508	1.2
72.65878	0.6
72.99202	2.0
85.02827	3.2
87.00767	1.9
89.01756	1.8
89.02315	34.0
90.64098	0.7
101.02322	14.6
108.80087	0.8
110.84077	0.7
113.02331	11.0
119.03398	12.8
131.03374	1.6
135.04436	4.1
139.00255	1.0
143.03377	2.7
149.04443	1.3
161.04482	3.6
169.18008	0.7
173.04478	1.5
179.03334	1.2
179.03752	1.2
179.05539	16.8
191.05548	2.2
194.61195	0.7
206.54498	0.7
338.22260	0.8
341.10876	100.0
342.11218	6.9
353.08554	1.3
359.07727	0.9
459.11691	0.9
554.58429	0.8
564.34595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
57.78858	0.7
59.01251	43.6
61.81672	0.9
61.98690	0.8
69.03336	1.9
69.22207	7.7
71.01254	12.1
73.02837	2.2
73.67790	0.7
83.01272	1.2
83.04895	2.0
85.02821	4.2
87.00751	4.7
89.02322	6.2
89.96722	0.7
95.04918	0.8
98.19766	1.7
101.02319	9.4
111.08016	1.9
113.02330	6.3
119.03379	1.5
120.31498	0.8
125.02303	1.6
125.09628	1.3
127.11177	1.5
133.05002	0.8
137.09624	1.4
142.60394	0.8
143.03351	1.0
145.04965	2.8
153.09113	0.9
155.37703	0.8
157.30681	0.8
161.04494	3.4
171.10179	100.0
172.10527	4.0
179.05530	1.4
181.12411	0.8
195.13861	3.8
205.12466	0.8
209.15413	0.9
211.13293	1.1
223.13393	3.1
231.17427	1.2
235.08212	10.7
237.14984	1.3
239.16647	1.2
253.09328	9.6
263.20151	1.0
265.17969	1.1
267.23465	0.9
275.16708	1.9
275.20135	4.6
277.21695	1.1
293.21228	44.9
294.21545	3.3
315.27005	1.6
325.25345	4.5
334.48044	0.9
341.24835	2.5
343.26300	3.8
344.26563	0.8
345.23993	0.7
351.23248	1.3
359.25851	6.5
361.27402	1.4
369.24255	8.6
370.24762	1.2
377.27002	1.1
387.20273	1.6
387.25366	31.9
388.25647	3.8
405.26434	22.5
406.26804	2.6
479.30014	2.2
493.96210	0.9
570.23743	0.8
595.34735	1.3
623.34314	86.1
624.34753	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.2
58.71430	0.2
59.01253	4.7
61.98707	0.2
63.78937	0.2
69.73705	0.7
71.01252	3.0
71.01622	0.3
72.99178	0.3
73.02827	0.6
81.03370	0.1
83.01266	0.3
83.04942	0.2
85.02816	0.8
87.00764	0.8
89.02319	1.6
97.02829	0.3
99.00713	0.2
101.02329	2.3
111.08042	0.3
113.02342	1.5
119.03405	0.6
123.08067	0.3
125.02394	0.2
125.09586	0.8
127.11179	1.6
137.02394	0.2
137.09557	0.2
143.03450	0.2
145.04926	0.4
153.09140	0.5
159.26463	0.2
161.04456	1.1
167.10616	0.2
171.10185	100.0
172.10522	4.2
179.05574	0.4
179.14389	0.4
182.66904	0.2
195.13849	2.8
196.14281	0.3
205.12421	0.2
205.15874	0.3
223.13347	2.4
224.83240	0.2
228.13774	0.3
231.21252	0.2
235.08185	3.9
253.09276	10.2
254.09518	0.5
255.23360	0.4
256.13071	0.4
275.20163	4.4
276.20505	0.6
277.21774	1.1
278.22086	0.2
293.21228	37.9
294.21506	3.4
359.26086	0.3
369.24319	0.4
387.25458	1.7
388.25647	0.2
394.09082	0.2
405.26520	1.0
407.19244	1.4
447.31345	0.2
529.30383	0.2
613.74768	0.2
623.34357	4.4
624.34686	1.0
645.30402	0.2
683.47192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62329	0.7
57.03331	4.4
59.01249	6.3
61.88943	0.5
67.27750	0.5
68.70969	0.5
69.03327	1.2
71.01262	5.5
73.02779	0.7
78.95780	0.6
79.22906	0.6
83.04897	0.9
85.02825	1.2
87.00738	0.8
89.02306	4.2
95.04910	1.3
97.06466	14.6
98.20561	1.9
101.02335	3.8
110.98442	0.6
113.02342	2.0
119.03352	0.9
123.08043	7.4
123.33974	0.5
125.02328	1.0
125.09615	100.0
126.09958	4.0
131.80884	0.6
141.80966	0.5
143.10683	1.4
161.04446	1.8
169.08630	2.1
179.05473	0.8
187.09680	72.6
188.09987	3.2
211.09711	0.7
229.42152	0.6
253.09256	2.4
255.23289	1.1
261.13351	1.2
277.21713	18.2
278.22070	2.1
315.32532	0.6
405.17630	6.9
423.18716	17.7
424.19073	1.9
627.77808	0.8
683.40057	96.9
684.40363	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	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.7
59.01247	4.2
61.98433	0.8
61.98705	6.1
63.29192	1.0
65.09087	0.7
69.03320	1.3
71.01260	4.3
71.04904	0.9
71.61131	0.8
73.02823	1.0
79.63188	0.8
83.04891	1.1
85.02853	2.1
87.00748	2.6
89.02314	3.0
92.94431	0.8
95.04905	1.9
97.06468	14.7
98.06834	1.0
98.19760	1.8
101.02307	4.4
113.02330	2.9
123.08043	10.6
125.09618	89.0
126.09930	3.6
143.10732	1.0
145.04948	2.1
152.21329	1.0
159.88676	0.8
161.04443	1.5
169.08612	2.6
187.09692	35.2
188.09953	1.9
229.44772	1.4
235.08203	4.1
253.09251	2.9
255.23370	1.0
277.21722	48.4
278.22076	4.2
289.07205	1.2
405.17603	5.7
423.18719	6.2
427.76331	0.9
683.40082	100.0
684.40515	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36899	0.2
55.01763	0.8
57.03335	0.9
58.00465	1.2
59.01252	100.0
60.01585	1.0
61.98711	1.0
69.03329	3.9
69.19279	0.5
69.19683	2.4
71.01255	44.4
72.01584	0.5
72.99181	2.4
73.02821	35.6
74.03171	0.4
75.00735	1.3
81.03335	0.6
83.01260	11.5
85.02828	9.8
87.00766	1.8
89.02318	17.2
91.35895	0.3
95.01273	3.5
96.95887	0.6
97.02837	1.7
98.03147	0.2
99.00754	1.8
99.04400	0.4
101.02327	39.8
101.40379	0.3
102.02675	0.8
105.99386	0.3
108.08075	1.0
109.02843	0.4
113.02333	28.5
114.02661	0.8
119.03387	7.9
121.02840	0.6
122.02368	0.5
125.02339	2.9
131.03409	4.4
135.04449	0.4
135.08157	0.3
136.05205	0.8
143.03415	5.7
147.02898	0.4
149.04456	3.9
150.06769	1.0
151.00223	0.3
152.07080	0.4
155.03410	1.9
155.10658	0.8
161.04463	10.4
161.05833	0.5
162.04692	0.3
163.07562	0.3
164.08356	0.5
165.09146	0.3
173.04517	0.5
179.05525	4.2
179.10716	0.4
185.00865	1.8
191.05449	0.5
199.09592	0.3
203.05527	2.0
221.06592	1.6
243.74864	0.3
243.93027	0.3
378.30472	0.2
404.19742	0.7
430.17828	0.3
430.40735	0.3
480.21255	1.0
481.36020	0.5
499.28574	0.5
502.14523	0.4
523.33527	0.4
553.18854	0.3
583.31049	1.6
584.31299	0.4
601.31812	1.3
643.33478	1.2
685.38373	4.1
686.25317	1.6
686.38269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.0
59.01248	19.4
61.98686	5.1
69.03297	2.5
71.01252	10.9
71.04890	3.4
71.52174	1.4
71.52599	2.5
73.02804	2.5
79.98218	1.7
80.12135	2.1
83.01241	2.1
83.04863	3.2
85.02809	3.8
86.19464	2.1
89.02302	4.0
93.03336	2.6
96.74860	1.7
97.06458	4.1
99.00774	16.6
99.04409	2.3
101.02320	6.2
106.01466	1.7
113.02338	2.9
125.02312	3.6
125.09628	8.1
127.03919	3.9
135.07993	1.9
139.07518	1.8
161.04482	1.8
163.11174	8.7
166.28233	1.7
167.10716	2.1
171.10152	12.5
181.12245	18.0
186.98149	1.8
195.13870	3.6
198.45718	1.7
199.13347	13.2
201.11130	1.7
205.12157	3.5
207.10204	26.9
209.11751	7.6
211.13303	3.5
221.11703	3.2
223.13336	23.2
225.11270	39.5
226.11571	3.5
240.81624	1.8
243.12335	21.4
253.09204	3.5
255.23274	2.5
279.23163	3.3
284.96832	1.7
380.96997	1.4
401.56979	1.5
430.77228	1.8
459.22046	2.5
461.20139	5.7
479.21118	10.3
599.39435	1.9
621.32709	6.5
639.33868	7.0
685.34290	100.0
686.34668	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03320	2.2
59.01253	32.3
61.98706	3.7
69.03328	15.2
69.29154	3.7
69.29584	4.9
70.03684	1.6
71.01257	18.3
71.01620	1.7
72.99200	1.5
73.02817	9.0
75.00760	2.1
78.83263	0.9
83.01272	3.5
83.04884	1.1
85.02827	7.6
87.00742	2.4
87.04387	0.8
89.02328	6.1
91.67514	1.0
93.03342	1.0
94.01187	0.9
95.01288	2.6
97.02850	3.7
99.00742	4.3
101.02322	11.4
103.39987	0.9
107.04865	1.1
111.04423	1.1
113.02324	8.7
119.03411	2.5
121.02856	2.6
123.04459	1.6
123.08084	1.0
125.02348	3.1
135.04449	2.0
135.08072	2.5
135.49216	0.9
136.05212	7.1
137.02362	1.4
137.09634	6.0
139.07545	0.9
141.01830	0.9
143.03430	2.0
148.05170	1.3
149.06042	2.9
149.09642	0.8
150.06773	29.5
151.07513	2.7
155.10675	22.0
155.11836	1.6
156.11070	1.6
161.02322	1.4
161.04530	2.9
161.09726	1.2
162.06760	1.2
163.07571	6.1
164.08351	6.6
165.01939	2.5
165.09142	4.6
167.10832	0.9
173.04529	2.7
177.09196	1.4
178.09924	1.3
179.03424	1.1
179.10701	17.1
181.08652	1.0
185.00856	9.4
186.01250	2.6
187.01425	1.4
191.05627	1.5
199.09685	7.5
205.12288	1.7
205.18613	0.8
209.11768	1.1
241.10844	1.6
247.33955	0.9
289.07114	1.0
306.18307	1.1
327.94824	0.9
343.21411	3.6
360.32666	0.9
462.29822	2.0
477.32462	4.6
480.34918	2.3
481.21915	1.2
481.35577	14.2
482.35800	1.8
499.28494	1.3
505.32437	1.9
522.32294	2.4
523.32501	21.1
524.32971	2.0
553.19135	5.2
567.28125	20.9
568.28510	3.6
625.38361	3.0
685.38580	100.0
686.38867	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	686.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
61.98705	36.4
62.62650	0.5
63.10990	0.5
65.00193	0.5
71.01255	0.7
73.02812	0.6
78.48270	0.5
95.21188	0.5
98.19817	1.1
107.01297	0.7
125.02394	0.7
151.00276	3.2
163.00258	0.7
167.44395	0.6
191.05568	0.9
199.03937	2.7
215.03387	1.6
226.02467	0.8
227.03410	2.4
228.04036	0.6
242.02068	1.3
243.02971	15.9
244.03569	1.5
254.02342	0.7
255.02963	9.7
256.03494	0.7
257.04364	2.5
259.06094	0.6
270.01706	2.3
271.02481	25.9
272.03021	3.7
285.04089	4.4
286.04758	1.0
287.05609	1.4
299.01978	24.4
300.02710	26.3
301.03308	2.7
314.04318	32.8
315.05084	71.9
316.05322	4.7
531.52710	0.7
623.16156	100.0
624.16522	16.3
624.24084	0.3
686.26208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82819	0.7
57.09496	0.6
59.01241	2.8
61.98701	43.3
70.85378	1.5
71.01246	1.5
86.42002	0.8
87.00684	0.8
95.01292	0.8
101.02284	0.9
107.01266	1.2
116.99430	0.7
122.05965	0.8
125.58987	0.7
151.00267	4.2
183.04413	1.0
187.04018	0.9
199.03923	4.7
200.37115	1.0
207.93077	0.7
215.03453	1.3
227.03462	4.7
229.01311	0.9
242.02097	2.3
243.02972	22.0
244.03529	3.0
255.02977	14.5
256.03455	1.3
257.04504	3.3
257.32330	0.8
270.01569	3.7
271.02475	37.8
272.03015	4.3
285.04111	6.3
287.05609	1.5
289.90863	0.8
299.01953	32.8
300.02722	28.3
301.03003	2.8
314.04306	28.4
315.05084	65.9
316.05469	4.5
357.06146	1.0
598.06464	0.8
602.34204	0.8
623.16150	100.0
624.16443	13.6
650.70874	0.8
654.23035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
61.98703	100.0
62.44579	0.1
62.98399	0.2
71.01318	0.2
71.08021	0.3
71.08376	0.2
83.13219	0.2
102.52391	0.1
171.10228	0.6
172.10634	0.2
209.11691	0.2
262.65372	0.2
277.21597	0.2
293.21191	0.2
556.48035	0.2
600.06970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.3
61.98704	100.0
62.98417	0.2
63.67759	0.1
71.00588	0.3
72.58035	0.1
88.06425	0.2
100.27431	0.2
104.41228	0.1
145.91318	0.1
171.10175	0.1
202.32944	0.2
207.71776	0.1
212.55318	0.1
266.22174	0.1
279.23349	0.2
626.35187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
58.00458	0.9
59.01249	100.0
69.03336	1.6
69.73159	4.6
71.01251	48.4
72.01608	1.0
72.99175	3.3
73.02818	34.8
74.79060	0.9
75.00766	1.1
81.03320	0.8
83.00811	1.1
83.01262	10.9
85.02826	10.7
85.03307	1.2
85.41819	0.9
87.00758	2.8
89.02316	29.2
94.42070	0.8
95.01250	3.9
99.00774	1.5
101.02321	38.6
113.02337	26.7
119.03394	13.2
125.02317	2.1
131.03378	4.9
135.08026	1.4
143.03410	6.9
149.04471	4.2
149.05916	1.1
150.06754	7.6
151.07480	1.1
155.03439	1.1
161.04482	11.6
163.07510	1.8
164.08330	2.4
179.05504	7.3
179.10698	5.8
191.05598	1.0
203.05466	1.6
217.05702	0.8
221.06654	1.8
293.09268	1.5
345.22867	1.7
431.98477	0.9
446.30707	0.8
464.31448	1.8
479.33679	1.7
524.33246	1.1
525.34637	5.3
551.91663	1.1
583.31158	3.4
601.32690	4.0
602.32104	1.1
627.34705	1.1
643.34131	1.1
687.21600	1.2
687.39764	23.1
688.23566	0.9
688.39661	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.0
57.03327	2.5
58.00467	4.5
59.01251	100.0
61.98693	4.5
69.03326	3.0
71.01256	76.4
71.52885	1.3
71.53271	1.0
72.01601	1.4
72.60774	1.1
72.99187	7.6
73.02818	10.0
81.02548	1.1
83.01262	5.1
83.04932	1.6
85.02823	19.1
85.28491	1.0
87.00766	4.9
89.02318	62.9
93.03361	1.0
95.01238	6.2
97.02825	2.0
99.00752	2.9
101.02325	37.7
102.02665	1.0
105.01859	1.6
105.29996	1.4
109.06461	1.2
113.02328	40.7
114.02681	1.6
119.02576	2.0
119.03387	25.7
122.06026	1.2
125.02310	5.4
131.03407	3.6
135.08040	1.3
136.05206	1.2
137.02330	1.6
139.07588	1.1
143.03430	9.5
149.04472	5.1
149.09666	0.9
150.66858	1.2
151.03810	1.2
151.07542	1.9
155.10652	2.3
161.04469	14.2
163.07500	1.4
165.01833	1.6
167.03378	1.6
167.07024	2.5
171.10153	2.1
173.04501	1.5
179.05530	19.6
185.11821	1.4
199.09669	1.5
209.11765	3.9
221.06529	1.3
223.09709	1.1
225.11241	1.3
236.51060	1.2
265.09796	1.2
278.06940	2.5
289.07025	1.9
293.09265	2.7
295.10901	2.3
339.09949	1.6
583.31177	15.5
584.31512	3.3
601.32208	24.5
602.32788	5.4
611.22504	1.2
627.37091	2.3
643.33154	3.8
655.20795	3.8
669.31213	2.2
687.21954	1.7
687.38916	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19185	1.5
50.80508	1.4
55.01759	1.7
57.03324	2.9
57.39822	1.4
58.00473	2.3
59.01253	100.0
60.00903	1.6
61.98706	5.5
66.85828	1.6
69.03322	2.5
69.80923	1.6
71.01253	58.3
71.52381	1.9
72.99194	5.5
73.02822	31.5
75.00739	3.4
81.03339	1.8
83.00836	1.9
83.01242	11.2
85.02826	17.5
87.00762	5.9
89.02322	36.4
89.02844	3.0
95.01257	6.2
96.95911	1.9
97.02832	3.0
99.00748	4.4
99.04445	1.8
101.02326	40.7
111.04420	1.8
113.02332	37.8
113.03076	2.6
117.89849	1.4
119.02059	1.4
119.03388	16.3
121.02853	2.2
123.04443	1.8
125.02362	6.6
131.03380	4.3
134.05989	1.7
136.05237	4.7
137.02348	2.4
143.03419	7.5
148.05197	1.8
149.04459	3.7
149.06003	3.9
150.06682	1.9
151.07576	6.9
155.10663	8.0
161.04460	13.2
162.06747	1.5
165.01941	2.0
165.09154	2.2
167.07051	3.7
171.10199	3.0
173.04561	2.9
174.01666	1.6
177.09087	2.6
179.05573	11.4
191.05455	1.9
199.09691	4.5
209.11852	2.7
225.11351	2.2
251.08292	1.9
253.09651	2.0
265.10092	1.5
278.06949	2.0
293.09375	3.8
306.07721	3.7
321.08743	2.7
414.59961	1.6
482.35684	3.4
483.35324	2.4
525.30957	3.2
583.31128	17.6
584.31500	4.5
601.32294	22.8
602.32806	3.7
627.34503	4.8
643.33514	6.5
645.36133	3.5
655.20740	3.0
669.38336	3.2
687.41089	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	690.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.2
69.36492	4.8
71.01262	2.0
73.02826	1.3
85.02827	1.0
92.24703	0.5
100.53046	0.5
101.02331	1.1
104.04922	1.0
106.06506	100.0
107.06829	3.6
108.08081	3.4
109.81055	0.6
110.69378	0.5
113.02325	1.6
116.26208	0.5
118.06541	2.7
120.08086	1.1
125.02348	1.7
130.06531	1.9
131.03641	1.6
132.04517	0.7
132.15996	0.5
134.05995	0.9
135.04463	0.9
146.06007	2.1
148.07642	0.9
150.05511	57.1
151.05850	2.5
162.05525	1.4
164.07080	17.3
164.43002	0.5
174.05463	1.5
190.08669	0.7
191.05571	1.4
192.06604	9.9
194.04509	17.5
203.05563	0.7
236.05586	5.5
249.38870	0.6
250.07204	0.6
278.06696	1.1
281.13950	1.7
287.11542	0.5
338.08813	2.6
356.09460	0.8
398.10916	43.5
399.11148	5.3
440.11868	1.2
458.18198	0.6
485.20334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25925	0.5
59.01229	0.7
61.98705	11.8
71.01274	0.6
73.02812	1.0
86.44827	0.5
89.50999	0.5
93.03352	0.8
98.87771	0.5
108.50626	0.6
125.02306	1.1
137.02353	0.8
152.95587	0.5
167.03381	0.7
173.04472	1.1
197.82314	0.5
209.11810	0.5
229.44168	0.5
277.21588	0.8
277.31531	0.5
301.64102	0.5
310.43237	0.7
370.04660	0.7
451.13470	0.6
452.14703	2.5
481.15060	5.9
482.15326	1.4
484.15594	0.6
493.15051	0.7
495.16718	12.5
496.17273	2.6
508.17264	1.3
509.18100	1.1
512.12811	0.8
523.16632	1.0
526.14801	1.0
536.17047	2.9
539.16156	0.7
540.16431	3.2
541.17010	0.8
551.19373	28.6
552.19910	7.2
553.19214	0.8
554.19415	2.9
555.17987	1.0
568.16193	0.9
572.15704	2.1
586.17096	2.7
595.18408	3.2
596.18469	0.9
627.20990	100.0
628.21252	26.4
629.21014	1.6
630.21222	6.1
652.80878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07125	0.5
55.27069	0.5
57.03337	0.8
59.01252	5.0
59.06221	0.7
61.19495	0.5
61.98704	0.6
67.01757	0.5
69.02171	0.6
69.03318	1.1
71.01251	1.6
73.02822	1.1
81.03284	0.5
83.01279	1.2
83.04888	1.2
85.01726	0.6
85.02815	1.2
87.00772	1.0
89.02299	0.6
93.03333	1.2
94.02863	2.1
95.04940	0.6
96.95882	2.9
97.02847	0.7
98.02345	0.6
98.95415	0.6
99.00758	1.0
101.02315	1.3
106.06509	0.6
108.04443	2.9
108.08078	16.9
109.02840	1.5
113.02330	0.8
116.92744	0.8
119.04925	0.5
120.04433	0.8
120.08096	0.7
120.12263	0.5
122.05997	8.4
123.04443	0.6
124.03944	1.6
125.02350	4.2
132.08125	0.9
134.06009	1.8
135.04362	1.1
136.03922	3.6
136.07584	8.9
137.02332	1.1
138.05493	2.2
139.03877	0.6
148.07556	0.8
150.05518	7.8
151.03926	0.8
152.07077	17.8
158.06018	0.9
161.02350	0.9
165.01862	0.5
166.08653	5.4
173.04471	2.1
174.09117	1.0
176.07097	0.6
177.01808	1.0
179.03407	0.8
186.09212	3.0
190.02458	0.6
190.04990	0.9
191.05606	2.5
194.08147	2.2
196.06078	13.4
201.06604	1.2
202.07228	1.4
202.08855	0.9
202.12352	1.9
212.10712	1.6
214.07301	0.8
215.08145	2.7
218.07956	0.7
228.10222	2.1
229.09782	11.1
230.12001	6.8
231.12044	0.7
238.07187	2.7
240.08882	0.5
243.11476	0.9
245.09305	3.7
255.11359	4.1
257.09286	5.8
258.09958	1.9
273.12427	18.6
274.12991	0.9
275.10336	1.7
280.08325	1.1
281.14053	1.2
283.10892	0.9
289.07220	0.9
293.09317	1.4
299.10367	0.6
303.74640	0.6
306.07675	0.5
311.10217	1.3
317.11414	17.7
318.11737	0.8
334.11954	0.9
335.12476	100.0
336.12778	8.0
340.10455	2.5
352.25378	0.6
353.08920	0.5
355.12845	1.5
400.12469	18.1
490.19717	0.6
599.21222	1.3
631.23779	1.5
641.22565	2.2
659.23895	1.7
673.25134	1.8
691.26697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07125	0.5
55.27069	0.5
57.03337	0.8
59.01252	5.0
59.06221	0.7
61.19495	0.5
61.98704	0.6
67.01757	0.5
69.02171	0.6
69.03318	1.1
71.01251	1.6
73.02822	1.1
81.03284	0.5
83.01279	1.2
83.04888	1.2
85.01726	0.6
85.02815	1.2
87.00772	1.0
89.02299	0.6
93.03333	1.2
94.02863	2.1
95.04940	0.6
96.95882	2.9
97.02847	0.7
98.02345	0.6
98.95415	0.6
99.00758	1.0
101.02315	1.3
106.06509	0.6
108.04443	2.9
108.08078	16.9
109.02840	1.5
113.02330	0.8
116.92744	0.8
119.04925	0.5
120.04433	0.8
120.08096	0.7
120.12263	0.5
122.05997	8.4
123.04443	0.6
124.03944	1.6
125.02350	4.2
132.08125	0.9
134.06009	1.8
135.04362	1.1
136.03922	3.6
136.07584	8.9
137.02332	1.1
138.05493	2.2
139.03877	0.6
148.07556	0.8
150.05518	7.8
151.03926	0.8
152.07077	17.8
158.06018	0.9
161.02350	0.9
165.01862	0.5
166.08653	5.4
173.04471	2.1
174.09117	1.0
176.07097	0.6
177.01808	1.0
179.03407	0.8
186.09212	3.0
190.02458	0.6
190.04990	0.9
191.05606	2.5
194.08147	2.2
196.06078	13.4
201.06604	1.2
202.07228	1.4
202.08855	0.9
202.12352	1.9
212.10712	1.6
214.07301	0.8
215.08145	2.7
218.07956	0.7
228.10222	2.1
229.09782	11.1
230.12001	6.8
231.12044	0.7
238.07187	2.7
240.08882	0.5
243.11476	0.9
245.09305	3.7
255.11359	4.1
257.09286	5.8
258.09958	1.9
273.12427	18.6
274.12991	0.9
275.10336	1.7
280.08325	1.1
281.14053	1.2
283.10892	0.9
289.07220	0.9
293.09317	1.4
299.10367	0.6
303.74640	0.6
306.07675	0.5
311.10217	1.3
317.11414	17.7
318.11737	0.8
334.11954	0.9
335.12476	100.0
336.12778	8.0
340.10455	2.5
352.25378	0.6
353.08920	0.5
355.12845	1.5
400.12469	18.1
490.19717	0.6
599.21222	1.3
631.23779	1.5
641.22565	2.2
659.23895	1.7
673.25134	1.8
691.26697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90113	0.4
55.01781	0.4
57.03314	1.2
58.00452	0.4
59.01249	7.0
61.98699	0.9
69.31750	3.4
71.01254	5.1
73.02802	1.2
76.72919	0.4
80.02557	1.1
81.03322	1.0
83.01250	1.3
83.04899	3.6
84.02031	0.7
85.02821	1.5
87.00727	1.1
89.02313	2.9
93.03336	1.4
95.01295	0.5
95.04897	0.8
97.02822	0.5
97.06484	0.7
98.20651	0.4
101.02319	2.9
109.02842	1.2
110.53745	0.3
111.04339	0.4
111.08036	0.4
113.02336	2.5
115.00294	0.4
119.03403	0.5
121.02885	0.6
122.05987	1.1
123.04377	1.0
125.02338	4.2
125.05993	0.6
125.09625	1.2
127.11177	1.1
133.02866	0.6
135.04408	0.6
135.08031	1.0
136.07568	0.4
137.02341	2.2
139.03903	0.4
141.16397	0.4
149.02394	0.6
149.04518	0.4
150.03050	0.6
150.05524	0.9
151.00262	0.5
151.03874	1.6
151.55278	0.4
152.07114	0.5
155.10687	0.9
161.02325	1.1
161.04478	0.9
163.11206	3.7
164.00992	0.5
165.01840	0.7
165.09068	0.8
165.12761	2.1
167.03381	0.8
168.06590	0.5
171.10182	1.6
173.04443	1.4
177.01768	0.6
178.99745	0.4
179.03397	0.8
179.05595	0.4
181.12296	0.7
191.05614	1.8
191.10724	0.9
199.09720	0.5
201.11259	23.8
202.11667	1.8
203.07100	0.5
209.11766	100.0
210.12108	7.4
211.13368	0.5
225.11089	0.4
227.12856	15.2
228.13194	1.1
229.09811	0.8
235.08240	2.4
241.09641	0.4
243.02837	0.4
243.11308	0.5
245.08128	0.8
253.09264	9.2
254.09564	0.4
271.10876	1.2
273.12595	0.4
281.09338	0.5
285.03845	0.4
289.07169	2.2
300.02661	0.4
301.11804	0.6
375.21808	0.4
393.22702	0.5
401.22980	0.5
437.20441	0.8
445.20801	1.6
509.09894	0.4
597.24127	0.6
598.23871	0.5
611.30389	0.4
615.23785	0.7
623.91913	0.4
631.24261	1.2
637.31403	0.4
641.22430	1.0
647.26782	0.8
655.33185	0.5
659.23248	0.9
660.22528	0.4
673.24969	2.2
674.25458	0.5
691.25629	3.3
692.25763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32777	0.8
58.00450	0.6
59.01255	17.3
61.98698	3.6
69.03326	1.6
71.01253	15.8
71.51289	0.8
71.51656	0.7
72.99166	1.3
73.02811	3.5
73.22241	0.6
83.01257	1.8
83.04909	0.7
85.02850	3.4
87.00732	3.1
88.98665	0.8
89.02325	11.5
93.03347	1.1
93.33485	0.6
95.01275	0.9
97.02842	1.5
99.00748	1.4
101.02325	10.4
109.02862	0.9
111.00770	0.8
113.02319	4.8
119.03369	3.6
125.02312	3.7
137.02357	0.8
143.03418	2.0
161.02319	0.7
161.04465	2.4
167.03470	0.9
173.04465	1.9
179.05551	3.5
179.14267	0.8
195.13843	6.8
205.12283	1.5
207.10022	0.7
209.11760	2.2
211.13367	3.2
221.06607	1.2
223.13347	6.8
235.08160	2.1
253.09261	1.8
256.13196	0.8
275.20139	5.0
293.21225	100.0
294.21555	10.3
297.00394	0.8
305.08765	0.8
347.43942	0.7
349.52039	0.8
364.29947	0.8
397.13489	23.1
398.13828	1.8
405.63809	0.7
415.14578	24.7
416.15012	2.2
691.35284	0.8
694.40479	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84047	0.3
57.03321	0.8
58.00465	0.9
59.01252	16.1
61.98711	1.5
64.47490	0.4
69.03312	0.8
71.01255	15.3
71.32462	0.8
72.99173	1.4
73.02816	2.4
75.78266	0.3
81.03330	0.4
83.01271	1.6
85.02811	2.7
87.00743	3.4
89.02319	10.5
93.03357	0.5
95.01274	1.0
96.69183	0.4
97.02832	2.0
99.00770	0.9
99.04391	0.5
101.02324	9.9
109.02849	0.3
110.16738	0.3
111.04378	0.3
111.08078	0.3
113.02338	4.4
119.03380	3.7
121.02876	0.6
125.02338	4.2
131.03453	0.6
134.05998	0.9
137.02336	0.5
141.01857	0.5
143.03439	1.6
149.04459	0.4
161.04485	2.4
167.03386	0.4
171.10175	1.2
173.04498	0.8
179.05505	3.1
179.14258	0.6
180.58392	0.3
195.13846	6.9
196.14365	0.8
197.11754	0.4
199.09618	0.4
201.11232	0.4
205.12292	0.9
209.11699	0.7
211.13344	2.3
217.06915	0.4
221.06647	0.8
222.71902	0.3
223.13345	5.6
224.13670	0.4
225.11096	0.3
228.13580	0.6
231.21259	0.4
235.08185	3.9
249.21999	0.3
253.09267	1.2
256.13113	0.8
263.07593	0.4
275.20163	4.2
287.07654	0.7
293.21222	100.0
294.21548	10.1
305.08719	0.7
311.92630	0.4
323.09756	0.5
397.13489	21.2
398.13742	2.0
415.14566	22.2
416.14902	2.3
540.53381	0.4
551.83386	0.5
691.35712	1.0
691.79694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84315	1.5
57.03317	3.7
59.00987	2.1
59.01251	20.1
61.98698	7.7
69.03318	2.0
69.43307	10.8
71.01244	16.2
72.78900	1.5
72.84705	1.4
73.02819	3.6
75.45834	1.3
81.03315	1.7
83.01259	3.0
83.04897	5.9
85.02828	4.2
87.00745	2.5
87.23584	1.2
88.98646	1.5
89.02314	5.9
93.03342	1.6
95.04897	2.8
96.95889	2.9
97.02847	1.6
97.06456	6.1
101.02322	7.6
109.02864	1.9
113.02323	4.7
119.03342	1.9
121.02850	1.4
125.02338	5.3
125.09628	1.5
133.04991	2.1
137.02310	3.9
151.11208	14.7
161.04459	2.2
163.11205	2.6
165.01875	1.4
165.12759	1.8
169.12263	77.6
170.12589	4.9
171.10175	5.3
173.04501	2.6
183.13826	2.1
191.05547	2.5
195.10132	2.1
207.10162	1.7
209.11766	51.9
210.12112	3.2
211.13260	6.9
213.11261	10.0
227.12837	6.6
235.08080	2.3
253.09267	4.1
256.31708	1.5
289.07135	2.2
293.21344	3.2
296.32620	1.5
397.13528	2.4
431.19345	2.8
449.20258	4.4
641.32129	2.2
647.34625	1.9
659.32825	100.0
660.33276	18.6
691.24524	2.2
691.35651	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	692.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32038	0.6
59.00991	0.8
59.01253	6.7
59.15625	0.6
64.70126	0.6
69.49605	0.7
71.01254	3.7
71.52601	0.6
73.02816	1.9
76.89514	0.6
83.01277	1.1
85.02806	1.8
87.00725	0.9
93.03361	1.2
94.02882	1.1
95.82921	0.7
96.95888	1.8
101.02341	2.0
108.08074	100.0
109.08397	3.1
113.02330	1.6
119.03526	0.8
120.08096	4.4
122.02360	0.7
122.06023	4.0
122.09657	1.0
123.06339	0.8
125.02330	3.3
125.13364	0.7
132.08092	4.3
134.06024	2.3
135.04433	1.5
136.03955	1.2
136.07584	3.7
137.02370	1.3
138.05513	1.1
143.04517	0.7
148.07603	3.2
150.05493	3.1
150.09145	1.0
152.07080	79.7
153.07417	3.6
164.07053	2.0
166.08650	29.4
167.08990	1.8
173.04434	1.5
174.03181	0.7
176.07063	3.2
177.01945	1.1
178.08662	0.9
186.09116	1.0
191.05521	2.4
194.08130	10.9
195.08458	0.8
196.06084	74.0
197.06499	3.1
201.06566	0.9
214.07394	0.7
224.09203	2.0
229.09712	4.0
230.09984	0.9
230.11996	1.9
238.07170	19.0
239.07780	0.8
245.09267	1.4
250.07245	0.9
252.08859	1.7
255.02975	0.8
255.11473	1.2
257.09442	0.9
262.42999	0.8
273.12451	4.4
274.12851	2.1
280.08139	3.5
306.07785	1.7
311.10284	1.0
312.10495	0.7
317.11423	3.8
318.11642	2.2
327.15933	5.4
335.12451	18.0
336.12735	10.9
340.10333	11.3
341.10641	1.1
358.11423	1.2
400.12482	79.7
401.12787	11.0
442.13913	1.8
444.25839	1.3
483.56393	0.7
531.22913	0.8
600.21094	0.9
642.22992	2.0
643.23395	1.0
674.26239	1.3
675.25879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
59.01255	28.4
61.98701	2.7
64.91788	0.7
69.03325	1.6
69.61562	0.7
71.01253	6.3
72.65239	0.7
72.99210	0.9
73.02806	5.0
83.01258	1.2
85.02831	2.9
87.00747	1.0
89.02331	0.9
93.03343	0.9
95.04913	1.1
96.95891	1.0
97.02835	1.3
99.00777	1.2
101.02335	2.5
107.04922	1.7
113.02350	3.1
119.03321	0.7
120.01168	0.7
125.02323	2.5
134.05983	1.0
135.04416	0.9
135.08060	1.8
137.09636	9.7
150.05450	0.8
151.03920	1.2
152.07121	0.8
155.10693	100.0
156.11055	5.4
159.03000	0.8
159.08063	0.9
164.03419	1.3
173.04460	1.2
175.02414	0.8
185.00740	1.0
188.94814	0.7
191.05453	1.1
199.09705	55.5
200.10043	3.2
281.09247	1.5
283.11133	1.4
287.10443	2.9
331.09268	1.5
331.14020	3.0
359.28229	1.1
361.82458	0.7
404.71027	0.7
459.43692	0.8
471.23862	2.0
485.31256	3.0
489.24985	2.1
503.32324	9.3
504.32925	1.0
517.24463	30.3
518.24701	5.7
521.33557	0.9
545.33380	3.2
561.23468	12.3
562.23718	2.3
599.23468	0.9
617.22290	0.9
643.21979	0.9
651.40204	1.1
661.24878	1.4
693.27411	12.8
694.27606	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	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04593	1.5
59.01249	4.1
61.74013	1.6
64.32160	1.7
71.01241	1.8
80.89124	1.6
85.02824	2.2
96.95881	2.6
98.19781	4.5
107.01259	2.5
109.02913	1.8
110.45606	1.7
113.72901	1.8
122.06016	6.7
125.02319	1.9
128.60274	1.7
134.06006	6.9
135.06827	1.9
136.07613	1.9
140.07060	9.5
144.04388	1.8
149.04752	3.1
150.27562	1.9
151.00276	5.7
151.78078	1.6
153.09116	3.1
156.02106	2.8
160.04024	2.5
161.04716	5.6
162.05505	6.8
164.07083	5.8
166.05013	2.2
174.05482	2.3
178.99734	3.0
184.68687	1.7
191.05583	2.7
193.01317	1.9
204.06601	10.2
212.05875	12.2
213.10039	1.7
215.03497	2.8
220.54724	2.0
225.06635	3.6
225.10394	2.4
226.02669	3.0
227.03392	3.9
227.11873	3.9
237.10291	10.4
239.08270	11.3
240.09039	4.1
241.09680	2.9
242.02179	3.4
243.02992	2.4
243.11195	4.2
251.08359	3.9
251.11732	2.2
252.10431	2.2
252.12701	12.9
253.06255	11.2
253.09756	11.6
253.13548	2.1
254.06558	2.0
255.02974	10.5
255.11441	8.7
256.03369	2.5
257.04636	2.9
265.06207	2.9
266.06921	6.0
267.07745	20.3
267.11142	9.2
268.08594	12.4
268.12161	13.1
270.01724	7.1
271.02472	13.0
271.10889	3.3
273.12448	8.1
277.09723	2.9
279.07599	4.0
279.11679	2.2
280.08511	18.1
281.09317	31.0
282.09738	4.0
283.10831	2.2
284.03168	7.0
285.04062	19.8
285.08774	5.9
295.10889	54.7
296.11624	36.4
297.09158	3.0
297.12384	16.4
298.01328	8.8
299.01965	13.7
299.10260	9.7
300.02664	9.0
300.11053	4.7
301.03494	10.2
301.11884	6.3
302.03946	2.8
303.13516	10.1
311.02335	2.6
311.10257	2.1
313.12109	8.6
324.05396	2.1
327.13467	13.6
328.10513	2.6
328.14267	4.4
339.09888	6.4
340.02417	1.8
340.10541	5.2
341.11325	6.7
342.05811	3.6
343.12943	2.3
351.12317	2.7
371.12500	5.7
372.13229	5.4
373.14056	12.4
390.14560	8.0
404.16284	5.5
406.13983	3.0
407.14752	2.8
420.15643	4.9
423.48590	2.1
434.13666	5.1
436.18817	2.4
448.15118	4.9
452.18253	3.6
466.16089	6.7
469.45026	2.0
479.16833	3.2
480.17810	3.3
489.10388	6.5
505.09747	4.9
511.19562	17.9
512.20245	6.1
633.25592	23.3
634.25378	3.9
643.24176	8.7
649.13934	6.7
675.26654	100.0
676.27203	20.3
693.27802	22.6
694.16840	2.4
694.28003	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	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76398	1.6
59.01244	2.9
61.74555	1.6
63.52180	1.6
71.01220	2.2
71.33453	3.6
73.15645	2.0
79.68102	1.5
108.04422	5.9
110.06002	3.8
121.05208	4.7
122.06002	17.2
125.02326	1.6
134.05998	19.7
135.04387	1.9
135.06747	6.6
136.07571	6.2
138.05502	3.7
140.07083	23.8
144.04445	2.0
146.06027	4.0
149.04765	8.5
150.05502	5.1
152.07100	3.9
160.03976	3.8
161.04767	9.3
162.05501	16.4
164.03462	6.4
164.07106	14.2
166.05016	5.0
167.05861	2.7
171.56648	2.0
172.03998	4.9
173.04558	2.7
174.05504	4.8
190.05057	3.2
204.06628	13.1
211.08698	5.3
212.05833	13.1
212.45900	2.0
213.06332	2.1
219.90228	1.6
223.08832	1.8
224.09357	2.7
225.06683	7.2
225.10300	4.3
226.07172	2.3
227.08142	1.9
227.11841	3.8
229.09752	2.9
237.10265	14.7
238.07500	5.1
238.58510	1.9
239.08218	22.9
239.10486	2.0
239.11824	4.0
240.08977	5.9
241.09634	3.8
243.11394	8.3
251.08197	6.0
251.11868	4.1
252.08826	4.3
252.10304	3.3
252.12592	12.4
253.06189	22.1
253.09814	25.8
253.12509	2.7
254.10268	3.1
255.11337	7.8
259.10806	1.9
261.12454	5.3
264.08987	2.8
265.06003	4.2
266.07050	10.3
267.07724	27.8
267.11401	14.3
268.08597	15.4
268.12067	14.8
269.08835	3.7
269.12500	2.9
270.10190	2.6
271.10907	6.4
273.12494	11.6
279.07675	11.3
279.11234	3.5
280.08521	32.5
281.09290	43.9
282.09796	7.5
283.10934	4.1
284.07938	2.2
284.12903	2.5
285.08792	6.6
285.12320	2.7
295.10873	97.4
296.11581	51.9
297.09155	1.9
297.12387	25.3
298.09485	2.6
299.10327	8.2
300.02814	3.3
300.11182	3.7
301.03406	3.3
301.11963	11.3
302.12253	2.3
303.13547	42.0
304.13843	3.2
311.10233	2.8
312.10962	2.2
313.12097	9.0
321.14627	3.6
327.13498	26.5
328.10599	4.2
328.14114	2.7
339.09866	22.4
340.10547	12.3
341.11417	8.0
371.12537	25.4
372.13104	5.1
373.13995	9.5
390.14569	6.2
404.16068	5.7
406.13654	3.3
407.14642	3.3
420.15396	4.1
434.13428	4.2
435.17847	2.4
436.18686	3.2
438.16550	2.6
466.16327	5.0
479.16650	5.6
480.17722	3.1
487.21457	1.8
505.09772	4.0
510.18875	1.7
511.19388	22.1
512.20270	7.3
532.15027	1.8
557.24292	5.9
581.24139	2.1
599.25104	14.7
601.23035	25.5
602.23645	3.8
617.26019	6.3
633.25610	29.9
634.25861	6.7
643.24091	60.2
644.24207	14.1
661.25238	34.0
662.25696	8.1
674.24323	1.9
675.26727	100.0
676.27087	24.1
690.80090	2.1
693.27722	34.6
694.28052	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	693.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.7
59.02145	0.8
61.98695	2.8
69.03312	3.0
70.85647	2.3
71.01257	6.0
73.02819	5.9
80.21793	0.9
83.01251	1.3
85.02820	3.7
87.00716	1.4
89.02320	2.2
89.07217	1.2
93.03326	2.5
94.02856	3.3
95.01252	1.0
96.95876	2.3
101.02305	3.3
108.04441	2.0
108.50596	0.8
109.02821	1.6
111.04396	1.4
113.02320	2.4
119.04881	0.9
121.05199	1.2
122.02325	1.1
122.06010	6.3
125.02318	2.7
134.06042	6.1
135.04402	3.6
135.05334	1.0
136.07561	3.3
137.09590	0.8
138.05531	2.3
140.07086	5.3
144.04417	1.6
146.06009	1.5
149.04713	2.7
149.33849	0.9
150.05481	2.5
152.07065	4.6
156.02617	0.9
160.03998	1.7
161.02336	1.3
161.04665	3.9
162.05493	3.1
164.01044	0.9
164.03375	1.6
164.07034	3.6
166.04970	2.1
167.05656	1.2
172.03928	1.8
173.04471	3.9
174.05591	2.1
177.01866	1.2
179.03296	1.1
185.06030	1.3
187.08565	1.1
190.05057	1.6
191.05493	4.2
199.09709	1.2
204.06610	6.9
211.05225	1.2
211.08713	1.4
212.05812	9.6
213.10268	1.2
223.08800	0.9
225.06584	1.1
225.10313	1.5
227.11797	1.6
229.09741	1.1
237.10315	7.3
239.08276	6.1
239.11757	1.1
239.16458	2.4
240.08919	2.8
241.08775	1.9
243.11269	2.6
251.11838	3.4
252.10405	1.2
252.12637	6.8
253.05780	7.4
253.09814	8.6
253.13278	1.5
254.06584	1.2
254.10097	1.1
255.11420	5.3
258.06424	1.2
263.08038	1.6
265.06042	1.9
265.09631	0.9
266.06836	3.2
267.07706	13.5
267.11310	5.4
268.08487	6.8
268.12097	6.7
269.12784	1.4
271.10815	1.3
273.12390	3.6
277.09717	2.0
279.07742	2.9
279.11154	2.2
280.08572	10.4
281.09311	21.6
282.09811	3.3
283.10812	2.5
283.15482	8.0
285.08670	3.8
285.12061	1.4
289.07104	1.2
291.07910	7.0
294.09961	1.3
295.10864	30.3
296.11603	25.1
297.12405	10.7
298.09494	1.1
299.10367	8.0
300.11017	2.2
301.11877	3.5
303.13550	8.6
305.09180	1.5
306.10165	7.7
307.10739	2.6
309.15091	1.1
311.10382	2.2
313.11920	4.0
321.08438	1.1
327.13199	6.3
328.14172	1.4
339.09799	4.1
340.10504	4.4
341.11478	2.9
346.15668	1.4
349.13980	2.2
350.09103	12.7
351.09055	1.2
365.11444	2.3
371.12604	4.3
372.13168	5.0
373.14041	7.5
390.14484	3.7
404.16074	2.3
406.13766	1.9
407.14713	1.9
415.10327	8.0
416.16287	1.2
420.15436	2.1
424.15100	1.2
430.13748	1.2
435.17932	2.2
436.18640	1.8
438.16846	1.5
445.16290	1.5
446.17337	1.4
460.18707	2.2
466.16248	3.5
471.19955	3.1
479.16190	1.2
480.17807	3.5
484.27887	1.2
487.21951	2.2
489.21402	3.6
490.16177	2.0
504.17914	3.0
505.18240	2.1
510.18820	1.2
511.19412	10.8
512.20081	2.7
522.18304	2.5
531.22235	3.3
536.20441	3.5
537.20746	1.5
585.23389	3.0
599.24255	2.6
601.23163	1.3
617.26172	3.3
619.24365	1.6
629.22766	3.2
633.15668	0.7
633.25537	20.8
634.25934	4.8
643.23700	7.1
644.24268	2.5
657.25549	1.4
661.25085	18.8
662.25500	4.6
675.26685	100.0
676.27161	21.2
693.27759	57.9
694.28046	14.4
713.42938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1461
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
50.76038	0.4
51.12625	0.4
53.10548	0.4
56.92759	0.4
61.61240	0.4
62.73257	0.4
63.69450	0.4
65.59935	0.4
66.23521	0.4
69.52757	0.8
69.53159	1.6
151.00275	1.8
151.01395	0.4
178.85870	0.4
178.99803	2.8
226.02826	0.6
227.03403	1.3
243.02975	4.2
244.03442	0.5
254.02220	1.1
255.02974	12.6
256.03360	0.9
271.02457	27.2
272.03000	3.4
293.93173	0.5
299.01993	1.4
300.02737	100.0
301.03223	11.6
405.22812	0.4
487.09201	0.6
489.10477	0.9
505.09482	0.8
565.07257	0.5
609.14758	2.4
651.15643	80.8
652.15991	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	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24186	0.5
59.01247	5.3
61.94798	0.5
63.02280	0.6
65.00177	1.4
69.03334	0.7
69.19933	4.7
71.01233	2.7
73.02814	2.6
76.22820	0.5
83.01256	1.8
83.04932	0.7
85.02804	1.0
87.04385	1.0
93.03359	0.8
95.01276	0.9
101.02319	2.1
105.63580	0.5
105.65636	0.5
107.01260	1.9
108.02058	1.2
109.99998	6.8
111.00761	1.8
113.02322	1.1
117.03301	0.8
119.03356	0.7
119.04768	0.5
121.02832	0.5
122.05943	0.8
123.00735	1.5
123.04449	0.6
125.02322	1.4
135.00760	0.8
135.04445	1.6
135.08061	0.9
136.98672	1.7
137.09636	5.6
137.99474	3.0
139.00269	7.3
148.01552	1.0
151.00275	6.5
152.01074	1.2
155.04886	0.7
155.10683	43.2
156.10982	1.5
158.91396	0.5
161.04558	0.9
163.00316	1.1
165.98987	11.2
166.99763	3.8
169.01476	0.6
169.12260	0.5
171.04466	0.7
173.04489	1.2
173.05864	0.6
177.66974	0.4
178.99774	4.1
179.03423	0.6
181.08553	0.7
182.03601	0.5
183.04445	0.9
187.03879	0.6
189.01944	0.5
191.03334	0.6
191.05510	0.9
193.98471	1.5
194.00908	0.6
194.99103	1.2
198.03142	0.9
199.03926	2.0
199.09695	46.0
200.10016	2.3
203.03389	0.6
206.99344	0.8
211.03951	1.4
212.05800	0.9
215.03464	1.4
216.04120	0.6
226.02625	1.7
227.03453	8.3
228.03925	1.4
229.04971	1.1
237.10246	0.7
241.10794	2.4
243.02960	22.3
244.03403	2.3
253.09727	1.2
254.02234	3.0
254.10497	0.7
255.02963	44.4
256.03394	3.9
257.04449	0.6
267.07483	1.0
268.08054	0.6
268.11987	0.6
269.08444	0.8
271.02475	67.8
272.03049	11.2
281.09256	1.2
282.09711	1.2
283.02469	11.1
283.10071	0.7
284.03116	2.1
285.03943	4.8
285.09048	0.6
295.10770	1.6
296.11346	2.5
297.12088	2.1
298.12671	0.8
299.01984	4.9
300.02731	100.0
301.03339	16.8
302.03867	0.8
303.13443	0.8
328.13745	0.6
329.02985	1.2
329.13873	1.7
341.11154	0.6
344.04996	0.6
373.13654	0.6
374.13980	0.7
390.87729	0.5
403.15994	6.0
404.16428	0.9
483.62213	0.6
487.08173	0.7
489.10226	2.0
490.10751	0.8
512.20117	1.2
513.20264	0.7
533.20386	0.6
591.30536	0.7
609.14703	1.3
615.56775	0.5
634.25818	1.2
635.26160	1.8
651.15649	97.6
652.15942	18.0
676.26959	4.5
677.27148	6.8
694.27814	1.2
695.17468	1.2
695.28467	1.4
696.16962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24186	0.5
59.01247	5.3
61.94798	0.5
63.02280	0.6
65.00177	1.4
69.03334	0.7
69.19933	4.7
71.01233	2.7
73.02814	2.6
76.22820	0.5
83.01256	1.8
83.04932	0.7
85.02804	1.0
87.04385	1.0
93.03359	0.8
95.01276	0.9
101.02319	2.1
105.63580	0.5
105.65636	0.5
107.01260	1.9
108.02058	1.2
109.99998	6.8
111.00761	1.8
113.02322	1.1
117.03301	0.8
119.03356	0.7
119.04768	0.5
121.02832	0.5
122.05943	0.8
123.00735	1.5
123.04449	0.6
125.02322	1.4
135.00760	0.8
135.04445	1.6
135.08061	0.9
136.98672	1.7
137.09636	5.6
137.99474	3.0
139.00269	7.3
148.01552	1.0
151.00275	6.5
152.01074	1.2
155.04886	0.7
155.10683	43.2
156.10982	1.5
158.91396	0.5
161.04558	0.9
163.00316	1.1
165.98987	11.2
166.99763	3.8
169.01476	0.6
169.12260	0.5
171.04466	0.7
173.04489	1.2
173.05864	0.6
177.66974	0.4
178.99774	4.1
179.03423	0.6
181.08553	0.7
182.03601	0.5
183.04445	0.9
187.03879	0.6
189.01944	0.5
191.03334	0.6
191.05510	0.9
193.98471	1.5
194.00908	0.6
194.99103	1.2
198.03142	0.9
199.03926	2.0
199.09695	46.0
200.10016	2.3
203.03389	0.6
206.99344	0.8
211.03951	1.4
212.05800	0.9
215.03464	1.4
216.04120	0.6
226.02625	1.7
227.03453	8.3
228.03925	1.4
229.04971	1.1
237.10246	0.7
241.10794	2.4
243.02960	22.3
244.03403	2.3
253.09727	1.2
254.02234	3.0
254.10497	0.7
255.02963	44.4
256.03394	3.9
257.04449	0.6
267.07483	1.0
268.08054	0.6
268.11987	0.6
269.08444	0.8
271.02475	67.8
272.03049	11.2
281.09256	1.2
282.09711	1.2
283.02469	11.1
283.10071	0.7
284.03116	2.1
285.03943	4.8
285.09048	0.6
295.10770	1.6
296.11346	2.5
297.12088	2.1
298.12671	0.8
299.01984	4.9
300.02731	100.0
301.03339	16.8
302.03867	0.8
303.13443	0.8
328.13745	0.6
329.02985	1.2
329.13873	1.7
341.11154	0.6
344.04996	0.6
373.13654	0.6
374.13980	0.7
390.87729	0.5
403.15994	6.0
404.16428	0.9
483.62213	0.6
487.08173	0.7
489.10226	2.0
490.10751	0.8
512.20117	1.2
513.20264	0.7
533.20386	0.6
591.30536	0.7
609.14703	1.3
615.56775	0.5
634.25818	1.2
635.26160	1.8
651.15649	97.6
652.15942	18.0
676.26959	4.5
677.27148	6.8
694.27814	1.2
695.17468	1.2
695.28467	1.4
696.16962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56162	1.2
59.01252	12.6
60.43138	1.4
69.52838	10.8
71.01254	5.9
71.82893	1.4
73.02816	9.1
83.01241	1.7
85.02824	1.8
87.04401	2.8
97.02082	1.4
101.02311	5.0
109.99989	1.7
113.02328	1.7
125.02364	3.1
135.04417	1.7
137.09608	12.3
139.00266	3.5
149.49646	1.4
151.00287	6.1
154.66400	1.4
155.10692	100.0
156.11002	4.2
165.99004	4.7
166.99771	2.4
178.99799	2.2
181.08702	1.7
199.09698	96.8
200.09991	4.4
223.08479	1.4
227.03474	2.6
241.10757	4.1
243.02942	8.7
255.02971	18.3
271.02481	31.9
272.03101	4.0
283.02435	3.9
285.04230	2.9
299.01959	2.6
300.02722	44.2
301.03326	9.2
315.05103	2.0
381.01123	1.7
402.55719	1.5
403.16171	15.0
404.16754	1.7
466.01361	1.7
609.13593	1.9
651.15643	43.8
652.15747	11.1
677.26978	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	695.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80380	0.8
57.08770	0.7
59.01237	1.0
67.01741	2.4
71.01250	2.2
71.51511	1.2
81.03343	0.7
85.02816	8.8
87.00733	1.3
93.03336	15.1
109.02844	1.7
111.04411	4.1
127.03986	1.5
133.02832	0.9
134.03648	1.9
135.04414	32.5
136.04738	1.1
137.02336	2.8
138.05490	1.8
149.42899	0.7
155.03371	1.8
161.02332	2.0
173.04483	41.7
174.04802	2.1
179.03427	30.3
180.03787	1.7
191.05551	100.0
192.05899	3.3
207.70868	0.7
353.08746	47.2
354.09052	4.5
511.94568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50676	0.7
55.01725	0.9
57.03317	2.1
59.01249	19.5
61.98689	1.8
64.75594	0.8
69.03309	1.7
71.01256	18.7
71.53876	1.2
72.99167	3.7
73.02811	4.9
75.00745	12.2
80.12280	0.8
83.01255	1.8
83.04883	0.9
85.02829	13.6
86.01199	0.9
87.00760	5.9
89.02302	2.9
90.98470	0.8
93.03319	1.9
95.01243	3.6
96.95895	1.1
97.02801	1.1
99.00758	23.8
101.02306	4.4
101.05963	26.4
109.02865	0.9
111.00775	2.2
113.02319	15.5
115.00249	2.5
117.01811	1.3
117.73615	0.8
125.02382	1.1
127.03890	0.9
129.01823	1.8
135.04482	1.6
135.08052	2.4
136.05066	0.9
137.09633	11.9
139.00247	1.9
151.00287	0.9
153.01836	1.2
155.10681	53.6
156.10994	3.5
157.01326	3.7
161.04543	0.8
173.04448	1.8
175.02341	2.4
179.03334	0.9
181.08601	3.4
191.05540	2.0
199.09706	13.5
215.29990	0.8
243.06596	1.4
249.06073	2.0
255.02925	2.0
255.12303	2.0
258.23059	0.9
271.02386	2.7
273.13379	3.2
283.02576	1.0
300.02759	3.4
301.03363	1.4
326.00784	2.0
357.19073	2.3
386.02679	1.8
404.47189	0.9
413.14609	2.2
431.15341	2.2
446.47592	1.0
447.23911	0.9
449.16611	1.6
471.22476	1.6
487.32758	1.2
497.27539	2.9
505.33572	1.2
515.21307	31.1
516.21594	5.0
533.22394	100.0
534.22870	11.6
540.25104	0.8
575.23279	3.7
593.18939	1.0
646.41858	0.9
651.15997	2.6
695.15216	1.3
695.27075	19.5
696.27814	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	695.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18200	1.8
52.21877	1.9
55.28271	1.9
59.01250	16.6
64.20503	1.9
71.01243	4.0
73.02832	4.0
79.81143	1.9
80.62418	1.8
89.02283	2.1
93.03378	2.3
94.02871	23.6
101.02341	3.2
108.04414	3.8
110.05988	3.2
113.02351	2.6
113.18358	2.1
122.05997	9.8
124.03935	2.9
125.02342	1.9
136.03951	3.9
137.02365	3.0
138.05508	8.1
150.05486	5.7
161.02422	2.1
161.04654	3.4
173.04501	4.1
174.05588	5.1
201.10245	11.6
203.05794	4.1
212.59000	2.2
213.10280	6.6
215.11937	3.1
227.11826	3.0
229.09790	10.3
229.13380	5.3
230.09915	2.1
237.10272	3.1
239.11856	14.5
241.09805	3.4
243.02977	3.0
251.11813	4.3
255.02866	2.3
255.11336	3.7
257.13037	6.4
264.08932	8.3
265.09717	3.5
267.11505	4.1
271.02484	6.4
273.12497	2.9
276.09122	2.7
277.09833	5.0
279.11472	9.9
280.12003	2.6
283.10947	5.9
284.94891	2.2
291.07907	2.3
291.11368	7.5
292.08548	9.3
293.09369	6.6
300.02518	9.6
301.03186	3.5
301.12000	18.8
306.09796	4.0
307.10904	26.6
308.11505	6.5
309.12183	3.3
311.10452	3.7
319.13000	60.0
320.13242	4.6
327.13446	4.0
343.13104	4.7
345.14868	2.2
350.08969	6.5
351.09946	21.5
352.10385	3.4
354.55994	2.0
358.11508	2.4
371.12622	2.8
372.13623	2.7
386.15088	5.7
387.15891	3.1
403.19882	2.5
404.15906	6.5
405.17010	3.1
414.14468	2.1
430.17734	4.8
432.15448	4.2
437.15878	2.5
446.17453	3.9
489.10452	2.3
492.17538	3.2
493.17899	2.6
506.19263	14.5
527.23126	7.9
538.22003	44.8
539.22443	9.2
545.24329	12.6
551.23517	3.9
569.23926	11.1
570.24939	2.6
571.22125	7.1
572.22937	3.0
587.16119	1.9
587.25055	44.2
587.34357	3.1
588.25409	8.7
603.24695	11.5
604.25861	2.8
613.23254	6.9
619.27509	3.9
631.24072	55.1
632.24554	11.9
635.27344	7.2
645.25568	10.8
651.15619	6.6
663.26721	100.0
664.27069	19.0
677.29504	2.7
695.29852	22.4
696.29340	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	695.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18200	1.8
52.21877	1.9
55.28271	1.9
59.01250	16.6
64.20503	1.9
71.01243	4.0
73.02832	4.0
79.81143	1.9
80.62418	1.8
89.02283	2.1
93.03378	2.3
94.02871	23.6
101.02341	3.2
108.04414	3.8
110.05988	3.2
113.02351	2.6
113.18358	2.1
122.05997	9.8
124.03935	2.9
125.02342	1.9
136.03951	3.9
137.02365	3.0
138.05508	8.1
150.05486	5.7
161.02422	2.1
161.04654	3.4
173.04501	4.1
174.05588	5.1
201.10245	11.6
203.05794	4.1
212.59000	2.2
213.10280	6.6
215.11937	3.1
227.11826	3.0
229.09790	10.3
229.13380	5.3
230.09915	2.1
237.10272	3.1
239.11856	14.5
241.09805	3.4
243.02977	3.0
251.11813	4.3
255.02866	2.3
255.11336	3.7
257.13037	6.4
264.08932	8.3
265.09717	3.5
267.11505	4.1
271.02484	6.4
273.12497	2.9
276.09122	2.7
277.09833	5.0
279.11472	9.9
280.12003	2.6
283.10947	5.9
284.94891	2.2
291.07907	2.3
291.11368	7.5
292.08548	9.3
293.09369	6.6
300.02518	9.6
301.03186	3.5
301.12000	18.8
306.09796	4.0
307.10904	26.6
308.11505	6.5
309.12183	3.3
311.10452	3.7
319.13000	60.0
320.13242	4.6
327.13446	4.0
343.13104	4.7
345.14868	2.2
350.08969	6.5
351.09946	21.5
352.10385	3.4
354.55994	2.0
358.11508	2.4
371.12622	2.8
372.13623	2.7
386.15088	5.7
387.15891	3.1
403.19882	2.5
404.15906	6.5
405.17010	3.1
414.14468	2.1
430.17734	4.8
432.15448	4.2
437.15878	2.5
446.17453	3.9
489.10452	2.3
492.17538	3.2
493.17899	2.6
506.19263	14.5
527.23126	7.9
538.22003	44.8
539.22443	9.2
545.24329	12.6
551.23517	3.9
569.23926	11.1
570.24939	2.6
571.22125	7.1
572.22937	3.0
587.16119	1.9
587.25055	44.2
587.34357	3.1
588.25409	8.7
603.24695	11.5
604.25861	2.8
613.23254	6.9
619.27509	3.9
631.24072	55.1
632.24554	11.9
635.27344	7.2
645.25568	10.8
651.15619	6.6
663.26721	100.0
664.27069	19.0
677.29504	2.7
695.29852	22.4
696.29340	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	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38214	0.5
59.01251	100.0
60.01595	0.7
67.02023	0.5
69.80537	3.1
77.52882	0.5
78.95771	11.7
110.37087	0.5
146.22127	0.6
152.99507	1.0
162.84720	0.6
176.00540	0.6
185.39330	0.5
205.15979	1.1
257.66623	0.7
285.12723	0.7
472.89349	0.6
667.62122	0.7
695.31171	55.8
696.31415	11.0
696.42480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84504	0.4
59.01259	3.0
62.93239	0.3
63.42207	0.3
69.03320	0.3
70.71989	0.5
70.72331	0.6
71.01249	2.6
73.02811	0.5
85.02845	0.9
87.00792	0.4
89.02313	2.2
89.93957	0.3
97.34502	0.3
101.02322	1.7
106.12656	0.3
109.99631	0.3
111.22587	0.3
113.02318	1.3
119.03397	0.5
125.09604	1.3
127.11192	1.7
133.04941	0.4
153.12785	0.4
161.04437	1.2
163.11208	0.4
171.10147	0.3
179.05521	0.4
181.12253	2.2
197.11734	1.2
199.13332	100.0
200.13661	5.8
218.76965	0.3
235.08206	1.9
253.09247	10.5
254.09625	0.4
259.20673	0.4
277.21716	71.8
278.22079	5.7
301.48160	0.4
374.46179	0.3
435.22171	1.2
459.34723	4.7
460.35043	0.7
648.96527	0.4
698.50531	0.3
704.18005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.4
59.01258	12.1
60.76308	2.3
61.98668	3.0
63.02267	6.1
65.00191	11.0
67.01771	2.7
70.34213	6.9
71.01225	7.0
72.35554	2.7
72.99182	2.4
73.02821	3.3
83.01251	7.3
85.02831	3.1
87.00748	4.8
89.02297	2.6
95.01258	10.3
99.00751	3.9
101.02342	5.0
106.00446	2.3
107.01278	11.9
108.02069	3.8
109.02827	3.1
109.99967	7.7
111.00774	14.8
123.00748	10.4
123.04399	3.1
124.01638	4.5
125.02310	9.6
132.22908	2.3
133.02803	3.0
135.04379	6.7
136.98694	4.0
137.02330	6.7
137.99500	2.7
139.00290	17.5
140.01035	3.2
145.02829	4.9
147.00778	2.4
147.04417	5.1
149.02321	5.8
149.99464	3.6
150.99136	4.0
151.00272	48.1
151.03871	3.4
152.00974	8.8
153.01833	2.5
154.60556	2.3
154.99698	4.3
155.10652	5.0
157.02785	2.8
158.03624	5.2
159.04372	6.4
161.02348	9.7
161.99390	2.5
163.00252	10.5
164.01082	4.9
164.98154	4.7
165.01773	3.3
165.98941	8.6
166.99730	7.6
169.01334	4.0
171.04407	2.5
173.04454	6.1
174.03081	4.2
175.00272	7.9
175.03860	6.6
176.01006	2.5
177.01790	7.8
178.99800	49.7
179.03360	4.6
185.02280	5.3
186.03081	7.5
187.03984	11.3
189.01839	9.5
190.02490	3.5
191.03403	2.9
191.05424	3.6
192.00575	4.7
193.01276	6.8
193.98547	3.0
194.99240	5.7
198.03065	5.7
201.01831	7.7
201.11198	2.9
202.02637	9.5
203.03432	16.1
205.01321	6.6
206.99323	3.5
213.01874	7.9
214.02615	11.9
215.03470	20.9
216.04047	4.6
217.01311	8.6
218.02162	4.4
219.02917	5.2
226.02565	3.4
227.03444	5.7
229.01335	10.4
229.04958	3.1
230.02191	12.6
231.03038	11.8
232.03653	14.1
233.01001	2.7
241.01305	6.8
242.02109	15.9
243.02907	18.3
244.03583	4.0
245.00864	9.7
245.04332	2.4
246.01543	2.9
247.02296	2.4
247.06056	7.0
255.02905	7.9
257.00888	19.7
257.04443	5.0
258.01614	18.6
259.02368	23.9
260.03085	3.7
261.00339	12.0
261.04028	2.8
269.00854	7.6
270.01636	9.9
271.02457	22.2
272.03152	8.5
273.03671	3.1
274.01157	3.7
275.01938	6.0
285.00369	10.1
285.03973	19.3
286.01248	22.6
287.02011	30.6
287.05106	4.8
288.02557	7.0
289.03635	3.1
290.04065	3.4
297.00461	18.0
298.01202	4.1
299.02029	15.9
300.02695	18.1
301.03348	24.6
302.04169	14.7
303.01376	24.3
303.05020	15.3
313.03461	3.7
314.00638	9.9
314.04068	3.4
315.01340	13.8
315.05081	7.9
316.02026	3.3
317.03104	3.1
318.03784	3.7
329.03006	91.7
329.06897	5.7
330.03546	15.6
331.00842	18.0
331.03903	17.9
332.01602	7.5
345.02396	2.7
346.03226	36.8
347.03870	19.4
442.50168	2.5
543.12799	4.2
555.16821	5.1
597.18158	4.0
637.14496	4.5
653.16724	22.8
654.17535	4.7
665.13739	18.6
666.14337	5.3
669.16498	5.3
679.15137	11.8
697.16162	100.0
698.16583	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	697.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	0.9
61.98709	1.0
69.15546	0.3
71.01271	0.5
71.50751	0.3
78.95828	0.3
101.02352	0.4
102.31543	0.2
109.06510	0.4
119.04929	0.8
120.68951	0.2
121.02858	1.8
121.75781	0.2
125.02328	0.5
137.02353	0.4
139.63812	0.2
154.79523	0.3
163.03957	0.5
171.10182	7.8
173.04478	0.3
185.11884	0.4
191.03477	0.7
195.13963	0.4
209.04546	1.0
224.11153	0.3
235.08226	0.3
253.09300	0.8
255.23154	0.3
264.04718	0.3
289.07294	0.3
289.18079	4.5
293.21320	0.5
307.19247	0.5
351.33804	0.3
433.18521	0.3
461.23425	0.6
593.13739	0.8
604.50281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53469	1.0
54.89455	1.0
56.10818	1.0
57.03318	2.3
59.00994	1.3
59.01255	14.4
64.54608	0.9
71.01250	13.6
71.52680	1.0
72.99168	1.6
73.02821	3.4
83.01250	4.4
85.02826	7.0
87.00751	2.4
89.02313	10.8
95.01266	2.8
99.00737	2.2
101.02322	9.2
111.00726	1.3
113.02348	4.8
113.47117	1.1
117.44800	1.0
119.03431	2.1
119.04915	12.3
123.08056	1.0
131.03398	2.1
135.04411	2.0
137.02260	1.2
149.04459	31.6
151.00288	2.9
155.10704	5.7
155.98730	0.9
161.04431	1.2
163.03923	19.8
173.04478	1.6
177.01889	1.1
177.12752	3.2
178.99789	1.5
184.19104	1.0
191.05528	2.2
199.09695	2.9
215.90718	1.0
221.11769	2.4
271.02533	1.2
287.05655	2.7
295.08188	8.1
300.02707	1.1
334.55670	1.1
401.18152	100.0
402.18549	10.8
449.10837	1.6
449.16415	2.3
491.17740	1.1
534.68744	1.1
629.42755	1.0
650.32379	1.3
653.15717	1.2
681.98511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.7
60.99181	8.9
66.15345	1.1
71.01245	2.2
85.02789	1.3
88.98674	25.7
89.02293	1.4
101.02287	1.4
107.01256	2.9
108.02065	1.3
109.02873	1.4
111.00692	2.1
129.01776	1.5
135.00764	1.7
145.00111	1.1
148.01558	1.7
151.00227	4.7
163.00058	1.1
164.00983	1.3
170.61594	1.4
175.40344	1.1
177.01869	1.6
178.99759	4.5
181.04936	5.5
191.05637	1.4
193.95712	1.2
209.39429	1.0
211.03812	1.2
217.01566	1.3
224.01974	1.1
226.02760	1.6
227.03519	1.3
243.02948	11.1
246.86722	1.1
254.02147	1.8
255.02974	25.1
256.03220	2.1
271.02481	54.0
272.02869	4.9
299.01947	1.3
300.02734	100.0
301.03256	11.2
325.92834	1.3
491.99213	1.2
504.74374	1.3
513.24969	1.2
609.14600	93.8
610.14819	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	699.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70710	1.3
56.44040	1.1
59.01239	8.1
60.01551	1.0
60.99184	7.3
64.58009	1.2
69.31821	8.4
69.32232	3.1
85.02813	2.1
86.94485	1.3
88.98674	23.9
107.01266	1.4
108.02039	1.4
113.02336	1.5
130.20842	1.4
139.00276	1.7
141.39279	1.3
145.43735	1.3
151.00262	4.6
172.49905	1.2
178.99739	4.4
181.04935	3.4
191.05669	1.4
227.03471	2.3
243.02972	8.4
254.02252	1.9
255.02946	20.5
271.02475	52.8
272.03021	6.1
299.02026	2.9
300.02740	100.0
301.03204	9.9
522.26483	1.3
609.14624	86.5
610.14777	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	699.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
59.01253	5.0
59.68278	0.3
61.98679	1.0
62.79072	0.3
64.34385	0.3
69.03324	0.8
71.01258	3.8
73.02813	1.0
82.53523	0.3
83.01273	0.9
83.04897	0.6
85.02834	1.0
87.00753	1.0
89.02312	3.0
95.01266	0.4
95.04903	0.7
97.06474	3.8
98.20585	0.6
99.08027	0.4
101.02332	4.1
106.60138	0.4
109.06488	0.5
111.04401	0.4
111.08050	5.1
113.02345	2.7
119.03386	1.0
123.04417	0.5
123.08059	2.0
125.02374	1.8
125.09614	22.3
126.09960	0.5
127.07578	0.5
127.11160	2.0
143.03511	0.5
145.05022	0.5
151.03885	0.6
153.09088	0.7
153.12624	0.5
157.28336	0.4
161.04474	1.5
169.08675	0.4
169.12212	2.1
171.10178	100.0
172.10518	3.9
179.05464	0.6
181.12202	0.6
183.13837	0.5
187.09682	17.5
188.10008	1.0
193.12198	0.4
195.13873	0.7
197.11761	24.5
198.12064	1.4
199.13336	1.5
211.13315	3.5
227.12755	0.4
235.08199	4.7
253.09262	12.6
263.20224	2.2
265.18195	0.5
273.18488	0.4
278.45419	0.4
291.19662	11.2
292.19968	0.8
293.21265	2.3
309.20703	30.1
310.21085	2.4
405.17569	0.8
407.19220	2.1
423.18765	3.2
545.29602	0.9
579.82349	0.4
607.57605	0.4
650.67322	0.4
699.39563	22.7
700.40009	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	699.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03324	0.5
58.00463	0.2
59.01251	3.4
60.10596	0.2
61.98711	0.4
69.03327	0.8
69.25799	0.2
71.01248	2.8
71.52104	0.4
73.02827	0.6
80.12831	0.2
82.81606	0.2
83.01263	0.3
83.04893	0.4
84.99606	0.2
85.02840	0.8
87.00768	0.6
89.02322	2.1
93.33450	0.2
97.02829	1.6
97.06464	0.5
99.00765	0.2
101.02333	2.9
109.06471	0.3
111.08045	3.0
113.02354	1.2
116.39500	0.2
119.03389	0.8
125.02343	0.3
125.09627	1.6
127.11185	1.9
133.04961	0.3
137.09601	0.5
139.47365	0.2
143.03418	0.3
145.04921	0.2
149.04486	0.2
150.10501	0.2
151.71176	0.2
153.09131	0.7
161.04483	1.5
163.11243	0.5
165.12773	0.9
169.12283	1.4
171.10191	100.0
172.10538	4.4
179.05563	0.6
181.12257	0.5
183.13879	0.3
197.11778	16.1
198.12172	0.8
199.13315	0.9
209.11726	0.4
211.13336	2.4
223.13496	0.2
227.12910	1.1
235.08191	4.0
247.20740	0.6
249.14941	0.4
253.09280	9.1
254.09535	0.5
255.23109	0.3
263.20142	0.6
265.18106	0.4
273.18680	0.7
289.07150	0.2
291.19681	13.3
292.19955	1.2
293.21237	0.5
298.35962	0.2
309.20712	27.3
310.21091	2.5
407.19272	1.1
463.30661	0.5
527.28564	0.3
545.29211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45351	0.2
59.01254	0.9
61.98704	100.0
66.86811	0.2
69.19343	2.3
71.01239	0.2
78.95815	0.3
85.02850	0.3
85.16346	0.2
85.43600	0.2
94.15406	0.2
111.08070	0.2
152.99562	0.2
165.05716	0.2
171.10176	2.6
172.10585	0.8
173.04431	0.2
197.11867	0.3
211.13428	0.3
255.23273	0.5
256.23746	0.3
291.19809	0.2
293.21317	0.5
294.21695	0.3
309.20651	0.5
310.21033	0.4
465.25555	0.2
504.06830	0.2
656.41364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01594	1.2
84.76235	0.2
97.37248	0.3
218.81441	0.3
295.22678	0.3
437.12662	1.2
438.13403	4.0
439.13614	1.0
451.14221	1.2
452.14966	1.9
453.15323	0.8
455.09961	0.5
459.99924	0.3
465.11783	0.3
467.13571	0.9
470.12314	0.7
480.14471	0.7
481.15186	31.4
482.15552	7.7
484.13629	0.3
493.15689	0.3
494.16010	0.3
495.16791	11.3
496.17181	3.6
497.18420	5.2
498.18616	0.7
511.15979	0.3
514.15228	2.2
515.15259	0.5
523.16321	1.2
525.14209	0.9
526.14917	0.4
528.16510	0.4
539.15839	2.2
540.16492	7.3
541.16638	1.8
553.17059	0.4
554.18140	2.8
555.18854	50.3
556.19147	12.7
567.18884	1.2
569.20325	0.4
572.15552	14.0
573.15594	3.1
586.17133	5.5
587.17755	1.5
599.21497	0.4
609.20209	1.4
610.20325	0.4
627.21039	1.2
641.22552	23.0
642.22693	6.6
642.33167	0.5
658.19714	0.5
701.24683	51.3
702.24908	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40804	0.7
58.70064	0.7
59.01251	100.0
59.49479	0.6
60.12799	0.7
79.34157	0.6
81.17419	0.6
81.45187	0.8
95.30740	0.6
98.20560	1.7
98.85406	0.7
107.18800	0.6
137.16615	0.6
179.56213	0.6
218.41335	0.7
228.33980	0.8
255.23412	1.9
295.22757	0.9
423.10864	0.8
437.12372	1.6
438.13458	4.9
439.13721	1.3
452.14807	2.8
455.10043	0.9
467.12994	0.9
470.12341	0.9
480.14685	1.0
481.15173	44.8
482.15561	11.7
495.16708	11.7
496.17056	3.0
497.18542	5.0
498.18231	1.2
514.14813	2.9
525.14545	1.5
526.14911	1.4
537.08020	0.8
539.15894	2.4
540.16351	12.1
541.16583	1.7
553.17859	1.2
554.18109	2.4
555.18860	77.8
556.19135	18.7
567.18976	2.9
569.20447	2.0
572.15527	20.6
573.15692	4.5
586.16943	4.9
599.21039	1.4
609.19965	1.4
626.20825	1.5
627.20801	1.4
641.22485	32.5
642.22644	9.5
658.19836	1.6
701.24646	65.2
702.24908	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	701.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38396	14.7
59.01244	24.0
59.43091	12.6
61.98698	41.4
75.72585	11.9
95.86830	12.3
97.02843	14.2
101.89720	15.4
113.22613	13.9
125.02325	20.5
125.61306	13.0
171.10168	100.0
211.13342	32.3
223.13246	27.1
233.48369	14.6
253.09332	17.0
255.23309	21.3
277.21768	27.8
295.22723	36.5
311.22159	64.7
553.93451	14.5
618.30267	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	701.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97222	0.3
58.84977	0.4
59.01251	7.6
61.98700	1.4
64.74464	0.4
69.03359	0.4
71.01254	1.6
71.52851	0.4
71.60323	0.4
73.09956	0.3
73.54664	0.3
77.11961	0.3
78.95777	0.5
85.02857	0.3
89.02314	1.3
101.02323	1.4
111.08030	0.5
113.02343	0.9
113.78681	0.4
119.03371	0.6
125.02310	0.5
130.22897	0.4
161.04420	0.6
165.12793	0.5
167.14355	0.5
171.10185	4.4
172.10522	1.6
183.12366	0.6
183.13824	5.1
193.12260	1.6
197.11798	0.7
198.12086	0.4
200.32838	0.4
209.11830	0.5
211.13336	100.0
212.13670	5.5
235.08212	1.9
253.09222	4.0
254.09566	0.5
266.74338	0.5
293.21112	0.4
295.22812	0.4
309.20740	0.7
310.20966	0.6
311.21298	0.4
387.25467	0.5
405.25858	0.4
429.21359	0.8
447.22385	6.7
447.28287	0.7
448.22726	0.9
467.47153	0.4
623.34320	1.2
641.35773	0.6
686.05579	0.5
686.17383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98701	100.0
62.98402	0.1
62.99120	0.1
69.20857	0.8
71.01257	0.1
74.48007	0.1
101.02380	0.1
125.02325	0.2
134.03378	0.1
139.03909	0.1
158.68175	0.1
197.11751	0.1
209.11826	0.2
214.49344	0.1
237.15045	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	703.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86678	1.4
59.01255	9.1
61.98699	11.9
69.71011	10.3
70.09789	1.6
71.01247	3.5
78.95747	1.6
89.02331	2.8
101.02328	3.3
130.72511	1.8
161.04485	3.3
173.04492	2.1
183.13857	15.6
191.05405	2.3
195.13837	10.1
211.13335	100.0
212.13698	6.4
213.14911	82.6
214.15231	5.3
227.31123	1.6
235.08221	2.0
251.46352	1.5
253.09247	14.1
264.28680	1.6
272.73645	1.6
302.83713	1.6
315.64328	1.9
407.28107	5.9
447.22382	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	704.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86863	0.1
59.01251	6.0
60.01590	0.4
61.01671	0.2
61.98703	100.0
62.98407	0.2
71.01241	0.1
77.17673	0.1
84.59399	0.1
125.37151	0.1
277.21628	0.1
336.78256	0.1
440.12952	0.2
454.14478	0.1
482.15417	0.2
483.15323	0.8
484.15317	1.3
485.16229	0.2
497.17004	0.3
498.16934	0.5
499.18350	0.1
500.18497	0.2
542.16382	0.2
543.17230	0.3
555.18823	0.1
556.18829	0.3
557.18927	1.2
558.19086	2.6
559.19220	0.1
573.15442	0.1
574.15680	0.3
575.15942	0.7
588.17511	0.1
589.17542	0.3
619.49982	0.1
643.22778	0.3
644.22736	1.6
703.24615	0.6
704.24603	3.7
705.23914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.0
60.01601	0.2
61.98705	100.0
65.10249	0.2
70.55033	0.2
71.52851	0.3
77.98810	0.2
83.04931	0.2
137.90460	0.2
143.92290	0.2
163.11246	0.3
174.13196	0.2
209.11783	4.6
237.87071	0.2
253.09479	0.3
277.21744	2.6
441.12933	0.2
483.14941	0.9
484.15292	1.3
498.16852	0.3
499.17908	0.2
543.16809	0.5
556.19757	0.5
557.18927	1.1
558.19110	2.4
575.16626	0.3
589.17804	0.4
643.23132	0.3
644.22601	1.3
703.24860	0.3
704.24420	3.6
705.24164	0.4
720.98395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72281	0.1
59.01255	0.2
61.98705	100.0
62.98433	0.1
71.18856	0.2
78.44241	0.1
106.92138	0.1
139.07616	0.1
199.13342	0.1
212.35582	0.1
235.79393	0.1
242.74957	0.1
317.35254	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	704.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51224	0.1
61.98703	100.0
69.35545	0.1
70.80920	0.1
70.81244	0.2
78.19357	0.1
82.58337	0.1
85.81866	0.1
92.62323	0.1
99.77841	0.1
136.56325	0.1
141.22728	0.1
161.03957	0.1
198.85478	0.1
211.13155	0.1
214.89970	0.1
234.82794	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	707.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52311	0.3
57.03318	0.5
59.01258	1.4
67.01759	2.9
69.03336	0.5
70.84614	0.7
71.01265	2.3
83.04903	1.0
85.02817	4.3
87.00768	0.6
93.03338	16.4
94.03670	0.6
99.00732	0.4
107.04909	0.7
109.02872	0.9
111.04400	4.2
113.02347	0.4
127.03917	1.2
127.92775	0.4
133.02820	0.9
134.03630	2.0
135.04417	48.4
136.04752	2.1
137.02353	5.2
155.03416	4.5
161.02345	2.3
173.04480	100.0
174.04800	3.7
179.03432	63.9
180.03783	2.7
191.05557	38.1
192.05928	1.1
193.26709	0.3
298.44861	0.4
353.08768	79.4
354.09100	8.2
393.15091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65995	0.8
59.01247	1.4
60.99193	0.8
67.01762	2.0
69.75313	4.1
71.01252	4.0
83.04896	1.0
85.02820	9.3
87.00750	1.6
93.03333	17.5
96.95880	1.6
108.02045	3.1
109.02827	8.6
111.04410	3.7
115.00234	4.3
121.02849	1.4
123.04395	1.0
127.03909	2.6
133.02847	1.4
134.03545	1.0
135.04407	23.2
137.02359	2.3
148.05243	1.5
149.06010	2.8
155.03435	3.5
161.02382	2.6
161.05963	3.4
168.40074	1.0
173.04471	36.0
174.04836	1.3
179.03418	22.1
180.03722	1.0
191.05537	100.0
192.05920	3.6
218.73503	0.8
241.04984	1.8
242.05841	9.7
243.06551	11.5
271.09732	14.5
272.09827	1.2
289.05710	2.7
297.07709	2.8
312.90030	0.9
341.06546	2.1
353.08759	21.6
354.09128	2.0
359.07672	15.6
360.07910	1.5
365.95444	1.0
463.10696	2.4
489.13647	1.3
530.18530	1.0
533.13019	19.8
534.13226	2.0
689.17169	1.4
707.18311	26.9
708.18762	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	707.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02193	0.6
59.01242	7.8
61.22030	0.7
64.08594	0.7
69.57768	5.3
71.01251	2.2
73.02808	1.1
80.04922	8.8
80.05339	1.0
82.02882	1.4
85.02827	1.1
93.03302	1.5
94.02859	18.1
94.06496	3.2
96.95883	1.7
97.42989	0.8
101.02325	0.9
101.40021	0.7
104.04924	3.2
106.06508	3.7
107.03651	5.2
108.04422	4.1
113.02299	0.7
120.04406	2.1
120.08058	1.4
121.05206	1.2
122.02357	0.8
122.06008	35.7
123.04498	0.9
123.06282	1.3
124.03910	2.4
124.07568	1.3
125.02335	1.2
130.06537	0.8
132.04463	1.6
134.06027	10.4
135.04446	1.2
136.03929	3.6
136.07574	2.1
137.02312	1.0
137.04762	0.8
138.05508	7.3
139.02635	3.1
139.03723	0.9
143.90277	0.8
146.05974	1.4
146.58049	0.7
147.05551	1.5
148.03932	2.7
148.07552	0.8
150.05521	6.0
152.07074	59.5
153.07306	1.6
155.10640	0.7
160.03951	1.4
160.07471	0.8
161.04686	1.7
162.05528	1.2
168.06438	0.9
172.11031	0.8
173.04549	2.2
174.05565	3.5
175.05020	2.0
180.06590	1.9
186.12788	1.2
188.07056	2.7
190.05035	2.6
191.05534	3.1
201.10284	7.3
208.80580	0.8
211.08720	2.1
213.10300	4.5
223.08701	1.4
224.09476	1.6
225.10298	3.6
226.10976	1.2
227.08327	1.0
227.11763	4.3
229.09793	8.7
229.13403	3.2
237.10298	3.5
238.11041	0.8
239.08148	1.2
239.11830	6.4
241.09790	2.5
245.12924	7.7
247.10820	1.5
249.10165	1.7
250.07425	3.1
251.08189	3.0
251.11932	1.5
252.09026	2.1
253.09763	4.3
255.11354	5.9
257.12918	4.0
259.11014	1.4
261.10632	0.7
263.08154	2.2
264.09027	1.3
265.09842	6.7
266.10474	2.4
267.11374	4.9
269.12732	0.9
271.02692	1.0
271.10626	0.9
273.12411	3.1
277.09766	2.7
278.06973	5.5
278.10513	2.1
279.07727	7.8
279.11365	2.6
280.08331	1.3
280.11819	1.5
281.09259	1.5
281.12885	0.9
287.10413	1.1
289.07162	1.3
289.12003	1.2
291.07373	1.0
291.11322	1.1
292.08411	0.9
293.09314	17.8
294.10031	4.7
295.10776	8.7
296.11420	1.8
297.12488	1.5
301.11948	12.1
302.12146	1.0
304.14548	0.7
306.09943	2.2
307.10812	2.6
309.12466	3.2
312.11102	0.8
313.11917	3.8
316.10822	0.9
319.12976	33.1
320.13275	3.2
321.08826	1.3
323.10309	5.5
324.10892	1.1
325.11829	1.4
327.13571	2.8
330.12451	1.4
337.08334	9.2
338.08740	1.5
339.09909	3.0
343.13531	0.9
344.10522	1.0
344.14197	1.6
346.15482	1.1
351.09912	1.4
353.11557	1.3
355.13046	2.4
356.13754	1.1
358.11832	1.5
358.15756	0.9
359.12582	0.9
360.13312	0.8
361.09500	0.9
372.13467	1.6
373.14261	1.6
374.15036	6.1
386.15280	1.1
387.15540	1.1
388.16794	1.0
391.15250	2.0
392.16190	5.8
393.16611	0.8
398.15097	0.8
400.12564	1.1
402.14182	1.1
403.15005	1.2
416.16003	4.5
417.16690	2.0
428.16077	1.0
430.13690	1.1
431.18698	1.4
432.19037	1.9
434.17099	2.3
444.15408	1.3
458.17130	1.4
459.17819	3.6
460.18658	2.7
462.16721	1.7
474.20346	1.7
476.18240	2.7
486.16595	2.2
492.21350	3.0
493.21597	1.0
503.16901	3.8
504.17783	9.0
505.18069	1.5
518.19214	16.4
519.19580	2.7
531.25989	1.2
535.19415	0.9
536.21002	0.8
539.22845	4.7
540.22974	0.8
550.21942	30.9
551.22278	5.7
555.25635	0.9
557.24121	7.4
558.24689	1.2
571.26099	1.9
575.24695	0.9
581.24066	6.7
582.24487	1.3
583.22260	4.5
599.25073	41.9
600.25323	8.9
602.23889	1.5
615.24463	5.2
616.24652	0.9
625.23041	3.4
626.23096	1.1
631.27991	4.2
632.28229	0.8
643.24023	45.3
644.24451	10.0
647.27075	2.1
657.25653	5.7
658.26105	1.2
675.26703	100.0
676.26990	22.0
689.27844	2.5
707.29413	14.3
708.29639	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	707.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56288	0.2
58.00470	0.2
59.01250	2.7
59.51125	0.2
61.98699	0.9
62.50893	0.2
68.14140	0.2
69.03328	0.3
70.43062	0.7
70.81174	0.2
71.01258	2.4
73.02822	0.6
78.95757	0.2
83.04896	0.4
85.02847	0.5
87.00743	0.4
89.02322	1.9
91.03840	0.2
101.02320	2.6
106.39798	0.2
107.23560	0.2
111.86468	0.2
113.02355	1.3
119.03378	0.6
127.50720	0.2
131.61214	0.2
145.04999	0.3
149.81485	0.2
161.04448	1.0
165.12810	0.4
167.10645	0.3
167.14360	0.8
179.05528	0.4
183.13832	6.1
184.14236	0.3
193.12247	1.8
211.13335	100.0
212.13684	6.4
222.38814	0.2
233.22690	0.3
235.08156	1.9
253.09262	7.4
254.09729	0.2
277.21713	62.0
278.22046	6.2
429.21240	0.8
447.22369	3.4
448.22452	0.5
538.63470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
58.00509	0.3
59.01250	2.7
61.98687	0.4
71.01249	2.6
71.52914	0.3
73.02805	0.6
77.33173	0.3
78.70609	0.3
78.95760	1.9
81.08498	0.3
83.04895	0.4
85.02836	0.6
87.00748	0.5
88.12586	0.3
89.02313	1.8
101.02335	2.7
113.02338	1.2
117.15861	0.3
119.03432	0.7
133.04999	0.4
143.03400	0.4
145.04967	0.3
152.99492	2.6
160.66406	0.3
161.04431	0.8
167.10735	0.5
167.14319	0.6
179.05530	0.6
183.13828	6.3
184.14178	0.4
184.97231	0.3
193.12276	1.9
194.45164	0.3
207.10054	0.3
209.11748	3.1
210.12155	2.3
211.13342	100.0
212.13684	6.7
225.11252	1.1
233.22466	0.4
235.08301	1.7
246.85632	0.3
253.09277	6.5
253.21626	0.5
277.21713	51.8
278.22067	7.5
279.22546	1.4
429.21225	0.6
447.22327	4.3
448.22711	0.3
453.15302	0.7
471.16379	1.7
500.04877	0.4
522.55206	0.3
638.27521	0.4
707.37183	2.2
708.38239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
58.95536	0.3
59.01254	4.0
61.98706	0.6
64.66982	0.4
71.01258	3.1
71.52382	0.6
73.02821	0.8
78.95777	0.7
83.04922	0.4
84.14127	0.3
85.02828	1.2
87.00758	0.7
89.02301	1.7
101.02341	3.1
113.02332	1.3
119.03414	0.6
145.04990	0.6
152.99474	0.9
161.04475	1.3
165.12856	0.4
171.10178	0.3
179.05615	0.4
183.13818	5.6
193.12308	1.4
209.11819	0.9
211.13347	79.0
212.13690	5.0
222.26300	0.4
235.08192	3.9
243.12230	0.3
253.09277	7.7
259.20688	0.3
277.21722	100.0
278.22046	11.2
279.23038	1.1
396.11914	0.4
429.21225	1.0
447.22424	1.5
471.16122	0.5
707.38141	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91387	0.1
58.00470	0.3
59.01250	2.4
61.98693	1.4
69.03331	0.5
71.01247	2.4
71.08908	0.2
71.86417	0.2
73.02819	0.5
78.33656	0.2
78.95772	0.4
83.01255	0.4
83.04910	0.3
83.34463	0.1
85.02837	0.6
87.00768	0.4
89.02315	2.0
95.01260	0.1
97.02832	0.2
101.02331	2.4
113.02337	1.1
119.03411	0.5
121.35298	0.1
136.25528	0.2
145.04973	0.2
152.99550	0.3
155.10715	0.2
161.04489	1.3
165.12759	0.3
167.10707	0.4
167.14365	0.5
171.10187	0.2
179.05486	0.4
181.12402	0.2
183.13820	6.0
184.14200	0.5
193.12239	1.7
207.10378	0.2
208.37463	0.1
211.13332	100.0
212.13683	6.3
225.11348	0.3
226.79948	0.1
230.42537	0.2
235.08188	1.5
240.26546	0.2
253.09261	6.9
254.09607	0.3
275.20074	0.2
277.21710	54.1
278.22058	5.2
282.87384	0.2
292.33420	0.1
429.21243	0.6
447.22318	3.7
448.22519	0.3
453.15454	0.2
513.30603	0.2
630.87451	0.2
707.37000	0.3
717.65857	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	707.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.8
69.03334	0.3
70.52937	0.9
71.01257	3.0
73.02832	0.6
78.95798	0.5
85.02800	0.7
87.00776	0.5
89.02310	2.1
95.01242	0.3
97.02893	0.4
101.02306	2.0
113.02348	1.3
152.99532	0.8
155.10732	0.4
161.04489	1.2
167.14377	0.5
171.29068	0.4
179.05598	0.4
181.12260	0.4
183.13829	6.6
193.12311	1.3
207.10097	0.4
211.13345	100.0
212.13730	6.4
235.08202	3.1
253.09279	7.3
254.09538	0.4
277.21713	62.8
278.22095	7.2
288.97360	0.4
375.26678	0.3
447.22394	3.2
453.15021	0.5
488.02173	0.3
574.32782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.2
61.98693	0.8
65.00214	0.8
69.21557	7.4
69.58432	0.7
71.01257	2.9
73.02816	1.8
79.70570	0.8
85.02815	1.4
89.02344	1.0
93.03327	0.8
95.01243	0.8
96.95909	2.6
97.02800	0.9
98.19694	1.4
101.02348	1.4
113.02299	0.7
115.91954	1.0
116.92741	2.0
119.30240	0.8
125.02328	1.3
126.75854	0.8
134.62790	0.8
135.04428	1.1
139.34891	0.7
149.02383	0.9
151.00244	1.8
152.07088	1.1
153.54276	0.8
155.10664	1.4
161.02377	1.0
165.01898	4.2
173.04556	1.9
175.03795	0.8
191.05563	1.6
191.10611	0.8
193.01295	2.7
199.03947	2.8
215.03468	1.7
226.02638	0.8
226.16811	0.9
227.03471	4.1
243.02943	4.7
254.02194	1.3
255.02908	1.1
269.04620	2.7
270.01746	1.2
271.02484	68.9
272.02692	4.1
285.04050	2.8
299.01965	100.0
300.02332	9.0
302.02005	0.8
314.04321	93.4
315.04871	13.0
316.05182	1.0
457.13193	0.8
618.98950	0.9
623.16180	2.2
649.37598	0.8
659.23767	1.2
665.17200	73.3
666.17444	12.5
677.25677	0.9
709.25366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89656	1.5
57.03325	2.1
58.00469	2.0
59.01257	35.6
59.45200	1.4
61.98691	2.0
69.03335	4.4
70.85460	2.7
71.01257	22.7
72.99197	2.1
73.02819	8.4
75.00729	2.7
83.01256	5.7
85.02820	12.0
87.00734	3.5
89.02312	6.3
90.27290	1.5
93.03328	4.1
95.01261	2.0
96.95898	9.0
97.02830	3.1
99.00735	2.9
101.02337	11.3
102.02653	1.4
106.04065	1.6
106.06548	1.4
109.02795	2.0
111.00766	3.5
112.01505	2.5
113.02309	10.6
119.03349	1.8
119.04918	1.4
121.06480	2.7
122.06013	5.0
125.02335	4.5
134.05977	3.3
135.04381	2.8
136.07573	5.0
149.05960	1.9
150.05492	1.8
152.07053	3.9
155.10666	3.1
160.03926	2.3
164.07065	5.9
169.09967	1.5
173.04410	5.5
175.02356	2.8
175.86211	1.4
177.01857	2.0
177.09084	5.9
179.03415	2.6
185.00919	2.0
191.05569	3.8
191.08144	1.6
191.10727	3.5
199.09648	1.8
213.09148	19.1
233.09267	3.9
251.10281	9.9
267.11374	1.9
269.62579	1.5
271.02478	5.0
271.10886	2.9
295.10919	2.1
299.01901	5.5
299.16513	81.3
300.02655	3.3
300.16931	7.3
301.11899	2.1
306.07718	2.6
308.07791	1.6
314.04166	2.3
317.98010	1.4
357.13461	2.1
381.14844	2.2
425.13489	3.2
443.20743	42.5
444.20996	5.1
457.16388	2.4
461.21814	100.0
462.22086	14.3
501.31079	2.4
502.22345	1.7
503.22861	84.8
504.23306	13.8
517.18512	2.0
519.31641	3.5
561.32617	2.2
575.19183	2.3
601.22742	1.7
605.26312	4.9
649.35120	2.4
665.16986	5.5
665.27277	3.0
666.17401	2.3
673.25146	2.6
677.24353	3.5
687.04761	1.7
691.25580	4.4
709.27618	5.8
709.39917	1.6
715.88556	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55061	5.7
59.01245	41.4
61.98706	20.9
68.24229	6.8
68.87154	6.6
71.01252	26.5
71.51810	10.8
71.52222	8.4
89.02282	10.5
101.02335	9.8
105.37996	6.3
114.78107	7.8
125.02406	8.7
139.06665	7.0
145.04944	7.3
166.39000	7.4
171.10109	9.2
183.13863	51.8
197.11784	57.3
199.09729	30.3
207.10161	15.2
209.11778	19.7
211.13316	100.0
225.11345	10.2
227.12804	19.8
235.08257	13.9
253.09138	17.5
289.07083	9.4
293.21228	41.2
350.01373	7.4
379.30542	8.8
452.49939	9.1
611.30597	14.4
637.32227	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	709.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01253	4.7
61.98700	0.5
69.03326	0.8
71.01257	3.4
71.52428	0.4
83.04852	0.5
85.02837	0.8
87.00742	0.4
89.02313	2.4
95.01258	0.3
95.04891	0.4
97.01633	0.3
97.06432	0.3
101.02325	2.9
113.02318	1.3
119.03410	0.7
123.08080	0.4
125.02355	1.3
131.03432	0.3
141.09106	0.4
151.11168	0.6
153.09261	0.3
153.12741	1.5
161.04466	1.6
167.03433	0.6
169.12254	6.6
179.05536	0.3
179.10709	0.9
179.14323	0.4
180.14706	0.3
195.13831	5.0
197.11774	100.0
198.12111	6.0
199.13214	0.6
205.12289	0.5
209.11769	0.8
211.13358	1.4
223.13374	2.8
224.66072	0.3
225.14836	0.4
228.13692	0.6
235.08197	2.9
249.22244	0.5
253.09262	12.3
253.11914	0.6
254.09656	0.7
256.13260	0.8
275.20114	4.0
276.20337	0.4
277.21786	0.8
278.22128	0.6
279.22968	0.5
293.21228	57.3
294.21536	5.6
433.20816	4.0
434.21002	0.3
442.18762	0.3
463.67941	0.3
473.32541	0.7
529.30585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21589	0.9
55.66673	0.8
57.03320	2.6
59.00971	1.2
59.01243	6.1
61.83285	0.9
61.98706	0.8
68.01992	0.8
71.01266	4.4
71.31738	1.6
78.95763	4.8
82.71497	0.9
83.04903	1.5
83.32581	0.8
84.09575	0.8
85.02791	2.3
85.25788	0.9
87.00746	1.0
89.02311	2.9
95.04915	1.6
97.06469	6.7
101.02318	4.2
105.98470	0.9
107.75969	0.8
113.02273	1.7
115.19490	0.8
149.09558	1.0
151.11191	18.0
152.99484	6.1
154.80653	0.9
161.04425	2.1
169.12262	49.7
170.12579	4.2
195.10231	4.6
201.11250	7.2
209.11800	7.9
211.13321	2.9
212.13647	1.9
213.11287	8.4
227.12845	1.3
235.08168	1.6
253.09276	3.7
253.21706	1.5
277.21725	66.2
278.22137	6.6
279.22839	1.8
340.17020	1.1
431.19025	2.9
449.20355	2.6
455.17117	1.5
473.17978	6.2
709.41534	100.0
710.41833	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	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01307	0.6
52.40071	0.5
52.63306	0.6
54.69115	0.5
57.03336	0.9
59.01252	6.3
69.15217	0.6
71.01248	5.2
73.02821	1.4
78.95789	4.1
81.03367	0.6
83.01271	0.8
83.04908	0.9
85.02796	1.4
87.00765	0.7
89.02306	2.9
97.06445	2.9
98.20563	1.4
101.02314	6.0
113.02311	1.8
119.03409	1.4
151.11198	13.6
152.99524	6.3
161.04486	1.4
169.12257	100.0
170.12584	6.0
171.00542	1.1
179.05460	0.7
183.13860	0.8
189.52156	0.6
192.95262	0.6
194.24397	0.6
195.10208	2.1
201.11301	5.9
209.11783	6.6
210.12276	0.8
211.13335	2.8
212.13756	0.7
213.11269	12.7
214.11501	0.9
214.13374	0.6
227.12929	1.0
235.08160	2.0
253.09259	3.0
253.21835	1.5
277.21729	27.9
278.22101	3.3
279.23172	1.4
431.19141	2.5
449.20294	8.4
450.20450	1.0
455.16928	1.1
473.17972	6.6
552.47028	0.6
558.60132	0.7
691.38770	1.6
709.41541	96.6
710.41949	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	709.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.40112	0.2
59.01250	3.7
71.01250	3.3
71.51886	0.3
72.99179	0.3
73.02832	0.6
75.37463	0.2
78.95766	0.5
83.01273	0.4
84.35361	0.3
85.02831	0.8
87.00766	0.5
89.02316	2.7
95.01266	0.3
101.02318	3.6
113.02336	1.9
115.03938	0.3
119.03390	1.0
119.49857	0.3
125.02319	0.3
133.04993	0.3
143.03391	0.5
147.50684	0.3
161.04494	1.6
171.10161	0.3
176.25215	0.2
179.05487	0.6
183.13829	12.9
184.14201	0.7
195.13840	22.7
196.14154	1.5
211.13289	1.3
212.13625	0.4
213.14906	96.6
214.15244	5.7
235.08113	2.0
242.14407	0.3
253.09262	17.5
254.09671	0.9
255.23303	0.3
259.20712	0.4
277.21716	100.0
278.22040	9.9
279.23224	0.6
281.24826	0.3
473.36414	3.9
474.36853	0.6
564.56329	0.3
709.39124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24312	1.9
59.01244	9.9
63.02258	8.7
65.00188	15.9
67.01744	2.1
69.24952	21.9
71.01238	4.8
73.02811	2.4
73.41716	2.4
83.01255	9.9
85.02834	3.3
89.02312	2.1
93.03335	7.5
95.01288	5.1
99.92469	2.5
101.02319	3.0
105.97954	1.9
107.01270	19.6
108.02100	3.5
108.32121	2.1
109.02810	5.9
109.99972	7.2
111.00777	14.1
116.92731	34.0
117.03360	9.4
121.02859	4.0
123.00750	6.9
124.01521	4.2
125.02322	9.6
132.02066	4.6
133.02824	3.7
135.00752	2.8
136.98727	3.2
137.02417	5.1
137.99533	3.2
139.00267	17.2
141.01755	2.5
143.04886	2.8
145.02832	4.7
147.04413	2.2
149.99588	2.7
151.00278	70.3
152.00858	6.4
153.01822	3.0
154.99727	3.6
155.04912	4.9
157.02940	2.6
159.04449	7.3
161.02475	3.8
163.00261	6.4
164.01019	6.6
164.65361	2.2
164.98224	2.5
165.01891	4.1
165.98987	9.9
166.99741	6.4
168.00542	4.1
169.01337	6.6
171.04417	9.2
173.02292	3.2
173.04448	4.3
174.03207	3.0
177.01787	3.3
178.99792	55.4
180.00107	3.8
183.04460	8.3
185.02328	2.3
187.03877	5.2
189.01816	2.7
191.05522	3.3
193.01358	2.8
197.02419	2.4
199.03963	2.9
201.01862	4.8
203.03416	6.6
205.06891	2.1
206.99336	2.0
209.00833	3.7
211.03903	4.4
214.02608	4.3
215.03407	5.2
216.04251	3.1
226.02646	2.4
227.03458	16.5
231.02849	6.6
242.02142	4.7
243.03064	12.7
244.03494	4.5
245.04756	2.7
254.01904	2.7
255.02982	39.9
256.03284	5.2
257.04584	3.7
259.02469	10.9
270.01675	9.2
271.02472	79.6
272.03058	18.6
273.03888	3.7
283.02484	23.0
284.03128	11.6
285.04007	10.0
286.04364	3.6
287.02036	26.7
288.02505	5.3
298.01245	2.5
299.01974	100.0
300.02505	19.1
301.03516	11.0
315.01443	3.9
316.02197	73.6
317.02884	10.2
353.08981	2.3
505.09995	6.3
506.09686	2.5
517.94147	2.8
555.13641	5.9
623.16418	2.9
625.14471	2.7
649.14410	3.9
667.15143	64.4
668.15118	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	711.1416
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
58.64876	0.3
63.02267	1.8
64.31362	0.4
65.00191	2.9
70.83551	0.9
71.01268	0.5
73.50841	0.4
83.01256	2.9
91.01755	0.4
93.03321	1.0
104.71874	0.4
107.01276	6.8
108.02076	1.0
109.02831	1.2
121.02851	5.4
125.02322	2.1
135.00804	0.9
135.04399	0.5
137.02328	0.6
139.27686	0.4
148.01590	0.8
149.02327	0.7
151.00275	25.7
152.00655	1.6
163.00285	1.7
163.03928	1.1
164.01064	1.1
165.04091	0.4
166.02672	0.5
169.01331	1.5
171.04492	0.4
173.04436	0.4
178.99786	12.3
180.00124	0.6
181.04971	0.4
183.04434	0.4
185.06020	0.5
191.05542	0.7
192.00488	0.6
193.01270	0.5
194.28516	0.4
199.03978	0.6
201.05537	0.5
211.03973	0.9
215.03537	0.6
216.04198	0.7
226.02725	1.1
227.03384	1.7
229.04962	0.9
243.02980	6.9
244.03366	0.7
245.04533	1.4
254.02263	1.2
255.00249	0.6
255.02979	18.3
256.03363	1.3
271.02481	39.2
272.02930	4.6
273.04041	1.5
283.02417	0.7
286.08414	0.5
289.07053	0.7
297.03989	0.5
299.02081	1.7
300.02753	71.2
301.03500	87.3
302.03860	7.8
353.09134	0.5
364.27621	0.4
365.30289	0.4
387.14255	0.8
418.95853	0.4
463.08847	19.2
464.09219	2.1
505.09875	100.0
506.10159	15.1
560.14948	0.4
607.26648	0.5
617.82184	0.5
667.15460	3.6
668.15588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.4
59.10414	1.2
65.00195	5.3
68.99674	2.2
70.01334	2.6
70.01725	3.4
83.01254	2.6
93.75005	1.5
95.01278	2.9
107.01286	3.2
109.02847	1.7
109.99977	20.7
111.00777	7.9
123.00767	3.8
124.01572	2.6
124.98630	1.4
136.01524	1.6
136.98703	3.8
137.02237	1.6
137.99506	8.4
139.00275	19.3
141.98927	1.5
151.00305	9.9
152.01015	3.4
163.00281	1.7
164.01091	2.6
165.98976	22.1
166.99802	8.6
174.03244	1.5
175.03995	1.7
178.99808	13.3
189.01962	1.4
190.02695	1.3
193.98492	2.0
194.99274	2.6
198.03186	3.1
199.03883	4.7
201.01918	2.2
203.03467	1.4
204.70450	1.3
214.02634	5.0
215.03447	3.7
216.04251	1.7
219.03009	1.5
227.03477	4.8
231.02940	2.0
232.03621	1.9
242.02167	7.0
242.44435	1.5
243.03035	10.7
244.03740	3.3
252.05043	1.3
255.03018	2.3
259.02460	4.8
270.01688	9.0
271.02472	54.5
272.03058	6.0
287.01962	36.3
288.02451	6.1
294.41470	1.6
299.01938	39.2
300.02496	4.8
301.03391	3.1
315.01425	3.0
316.02219	98.6
317.02698	16.8
505.09924	3.1
625.13794	2.9
643.83667	1.5
667.15118	100.0
668.15509	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	711.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24490	0.2
55.01759	0.5
57.03326	0.7
58.00470	0.2
58.85891	0.2
59.01250	100.0
60.01590	1.0
61.10120	0.2
70.84869	0.3
71.01254	9.3
72.99181	0.2
73.02820	3.5
77.45763	0.2
79.54998	0.2
83.01250	1.5
85.02826	4.8
86.00002	0.2
87.00750	0.2
89.02325	0.5
95.01278	0.5
97.02907	0.2
99.00759	1.4
101.02325	7.5
106.42616	0.2
107.01285	0.3
109.76155	0.2
111.00795	0.2
113.02329	3.7
121.02843	0.3
125.02330	0.4
143.03430	0.4
151.00302	1.7
159.02892	0.9
161.04465	4.5
163.00275	0.2
168.65967	0.2
178.99771	1.0
205.01643	0.2
206.07715	0.2
243.02974	0.3
252.34981	0.2
255.02928	1.2
269.10297	10.6
270.10522	0.9
271.02530	1.8
272.02975	0.3
280.16629	0.2
293.17081	0.2
299.01917	1.0
300.02734	5.0
301.03503	5.7
302.03870	0.4
311.11349	3.9
311.14948	0.2
312.11792	0.3
353.45102	0.3
462.08725	0.2
463.08719	2.2
464.09344	0.3
505.09882	4.6
506.10352	0.7
667.14819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07404	0.3
55.01753	0.4
56.74517	0.4
59.00957	0.9
59.01252	15.7
61.44756	0.4
61.98705	4.0
69.03314	1.9
71.01252	3.7
71.04890	0.5
71.31753	0.6
72.14531	0.4
73.02818	0.9
80.37908	0.4
85.02828	0.8
85.06452	0.4
87.00752	0.8
89.02331	2.6
93.03337	0.5
94.72642	0.4
94.77406	0.5
95.04867	0.4
101.02342	3.2
109.06430	0.4
113.02317	2.4
119.03394	0.8
123.22358	0.5
125.02332	0.9
125.09599	1.1
135.46812	0.4
137.02283	0.4
138.83693	0.4
145.04939	0.5
149.09607	0.5
153.09045	0.5
158.85179	0.5
161.04451	1.5
167.10777	2.2
167.14355	0.7
179.05504	0.5
179.10806	0.8
179.14363	2.7
183.13852	6.0
185.11806	0.9
193.12329	2.2
195.13846	7.4
196.14156	0.5
199.09651	0.5
201.11244	3.4
205.12279	7.2
206.12590	0.8
209.11729	0.5
209.14746	0.5
211.13338	100.0
212.13666	5.3
223.13350	76.2
224.13683	5.0
235.08188	3.5
253.09283	8.2
254.09749	0.5
277.21664	0.8
293.21259	1.7
397.13574	1.4
399.25375	0.8
417.26428	1.2
429.21103	0.9
441.21152	1.9
447.22336	7.0
448.22931	0.8
459.22318	10.0
460.22757	1.1
545.97504	0.5
609.33148	0.9
635.34448	2.4
653.35388	2.8
654.36053	0.7
713.34399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55484	0.8
59.01259	2.1
64.86743	0.8
71.01223	1.4
72.66695	0.7
83.04891	1.1
89.02316	1.0
122.02395	0.8
132.96278	0.8
135.04434	1.1
137.02347	1.0
149.04494	1.0
155.10637	1.4
173.04541	0.8
179.03412	1.0
191.05566	1.1
229.91757	1.2
255.03111	1.2
271.02536	1.1
296.78870	0.9
300.02786	1.1
315.05002	1.8
483.07336	0.8
677.49774	3.3
713.47369	100.0
714.47668	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2456
Annotation	Lisianthioside
Peak:m/z	Relative Intensity
53.95573	0.6
54.83095	0.8
55.01755	1.2
57.03316	2.3
59.01254	11.8
61.98714	1.7
67.01773	0.8
68.99687	1.3
69.03307	1.5
69.31141	0.7
70.47982	1.4
71.01256	20.2
72.99191	5.9
73.02827	5.0
75.00751	12.5
75.99757	0.7
78.95774	0.6
79.02679	0.7
83.01264	2.3
83.04907	0.9
85.02824	17.4
87.00745	4.9
89.02337	3.9
93.03352	1.0
95.01266	4.7
96.95908	1.9
97.02812	0.7
99.00758	22.8
99.04443	0.7
101.02328	3.8
103.00253	1.3
106.77595	0.7
109.02833	2.4
111.00768	2.1
112.82612	0.6
113.02328	12.7
115.00243	2.0
117.01789	1.0
121.02845	63.9
121.17861	0.6
122.03150	1.4
125.02332	2.7
129.01799	2.4
134.52498	0.7
135.04385	1.0
135.08043	1.8
136.05203	1.6
137.02306	1.5
137.05653	0.8
137.09630	12.3
139.00281	1.1
141.01875	0.7
150.02950	0.9
150.06796	4.2
153.01828	1.1
155.10687	42.4
156.11029	1.8
157.01349	2.8
162.06781	1.1
163.07539	1.5
164.08421	1.1
165.01765	1.1
165.09148	2.1
173.04489	2.0
174.01627	1.3
175.02371	2.0
177.09123	0.9
179.10648	2.1
181.08644	2.5
191.05582	1.5
193.03468	1.5
199.09705	11.0
214.86931	0.7
223.26866	0.7
241.05322	0.8
255.12433	1.2
331.99078	0.9
346.89908	0.7
353.08752	1.0
369.15765	0.9
377.15887	2.1
413.14417	4.2
431.15607	2.2
465.32407	0.9
467.26443	1.4
491.19196	1.6
510.35593	1.7
511.37100	3.7
535.18207	26.5
536.18549	3.8
553.19257	100.0
554.19659	13.5
595.20276	5.0
596.20685	1.3
625.54852	0.8
655.22467	1.0
655.40198	1.3
673.41498	0.7
684.21539	1.1
713.35504	0.8
714.38293	1.5
715.24524	13.9
715.38550	6.1
716.24969	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.4
58.00468	2.1
59.01253	100.0
61.98706	8.4
71.01255	43.6
71.51514	2.5
71.51965	3.5
72.99165	2.3
73.02825	9.8
78.95802	4.2
79.95628	1.9
83.01254	6.3
83.04909	4.9
85.02818	15.2
87.00765	3.2
88.44453	2.7
89.02319	26.1
95.01243	3.5
96.95895	35.3
97.02852	2.5
101.02332	24.5
110.98376	2.1
113.02339	24.8
119.03391	9.8
125.02340	8.6
127.03907	5.1
135.08044	4.7
136.05128	2.9
137.06000	2.1
138.16280	1.9
139.03951	2.1
139.07530	5.3
143.03412	2.9
145.06429	1.8
150.06804	2.6
151.07544	8.7
159.84807	2.2
161.04465	8.9
162.06833	2.5
165.05521	2.8
173.04414	2.6
177.09132	3.9
179.05516	3.0
197.11859	2.1
209.11781	6.2
255.23372	5.9
327.21777	2.9
383.24298	5.7
457.28027	2.4
467.30136	8.7
511.28949	5.5
611.34302	56.0
612.34863	7.8
629.35260	50.0
630.36182	9.4
651.46118	2.1
661.12396	2.0
671.39337	21.8
672.40234	3.5
673.40527	2.7
715.40973	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.4
58.00468	2.1
59.01253	100.0
61.98706	8.4
71.01255	43.6
71.51514	2.5
71.51965	3.5
72.99165	2.3
73.02825	9.8
78.95802	4.2
79.95628	1.9
83.01254	6.3
83.04909	4.9
85.02818	15.2
87.00765	3.2
88.44453	2.7
89.02319	26.1
95.01243	3.5
96.95895	35.3
97.02852	2.5
101.02332	24.5
110.98376	2.1
113.02339	24.8
119.03391	9.8
125.02340	8.6
127.03907	5.1
135.08044	4.7
136.05128	2.9
137.06000	2.1
138.16280	1.9
139.03951	2.1
139.07530	5.3
143.03412	2.9
145.06429	1.8
150.06804	2.6
151.07544	8.7
159.84807	2.2
161.04465	8.9
162.06833	2.5
165.05521	2.8
173.04414	2.6
177.09132	3.9
179.05516	3.0
197.11859	2.1
209.11781	6.2
255.23372	5.9
327.21777	2.9
383.24298	5.7
457.28027	2.4
467.30136	8.7
511.28949	5.5
611.34302	56.0
612.34863	7.8
629.35260	50.0
630.36182	9.4
651.46118	2.1
661.12396	2.0
671.39337	21.8
672.40234	3.5
673.40527	2.7
715.40973	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92722	0.8
56.26662	1.0
57.48851	0.8
59.01250	10.7
59.78160	0.8
61.98687	1.0
69.45735	0.8
71.01255	2.7
71.46396	0.8
78.95755	1.0
98.19807	3.2
101.02355	2.1
113.02367	1.4
113.09579	6.0
141.09131	1.0
159.10173	100.0
160.10574	4.6
161.04355	1.4
214.87532	0.8
229.81888	1.3
235.08119	1.4
253.09271	13.8
255.23376	1.3
277.21713	51.3
278.22000	5.8
300.43301	0.9
395.19153	2.2
419.31726	10.0
420.32178	1.9
541.35364	1.1
715.44403	1.4
718.11481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.5
61.98703	100.0
62.98417	0.1
69.59456	0.7
71.01268	0.2
89.02319	0.2
109.02798	0.1
121.02802	0.1
125.02355	0.5
126.02625	0.1
151.03938	0.3
161.02586	0.1
164.71393	0.1
169.56575	0.1
171.10158	0.8
209.11812	0.2
211.13454	0.5
212.13766	0.4
213.14047	0.2
223.13460	0.4
224.13710	0.3
225.13921	0.2
277.21805	0.3
282.75385	0.1
289.06934	0.2
334.94504	0.1
388.75922	0.1
393.81073	0.2
435.47711	0.1
599.69666	0.1
632.37628	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	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47407	0.1
59.01250	0.8
61.98703	100.0
62.98409	0.2
70.39842	0.3
83.97093	0.1
89.02296	0.1
94.23466	0.1
122.19794	0.1
133.45674	0.1
237.76758	0.1
244.13815	0.1
255.23268	0.1
256.23611	0.2
308.23538	0.1
360.81903	0.1
398.13882	0.2
399.14172	0.2
400.14465	0.1
599.21649	0.2
657.21649	0.2
717.24347	0.8
721.83704	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	716.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46147	0.1
55.13372	0.1
59.01251	0.2
61.98703	100.0
65.31123	0.1
71.52093	0.2
101.02321	0.1
112.49026	0.1
161.04768	0.1
182.74768	0.1
255.23477	0.2
256.23630	0.2
277.21976	0.1
399.13983	0.2
400.14325	0.1
436.61221	0.1
440.80298	0.1
742.97485	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	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93582	0.8
59.01252	100.0
60.58478	0.8
61.98699	3.9
71.53006	0.9
83.43264	0.8
85.16905	0.9
85.57031	0.7
86.55438	0.8
87.97453	0.8
94.55942	0.9
125.02251	1.2
161.98141	0.9
168.64690	1.1
237.55096	0.9
438.09723	1.0
442.16071	0.9
453.11777	2.1
454.12213	1.4
457.18817	1.8
459.16559	1.0
467.13535	1.7
481.11600	2.7
495.12250	1.3
496.13861	15.3
497.14413	5.4
498.15088	2.0
509.14740	1.9
510.15692	3.8
511.16336	7.8
512.16571	3.5
513.17834	4.4
523.16101	1.3
530.14728	1.4
539.18939	3.2
540.19977	1.2
544.16022	3.6
545.16339	1.3
567.18988	9.2
568.19287	1.6
570.16901	1.3
571.18182	6.9
589.19336	1.6
597.19843	2.6
598.20575	3.3
599.21570	32.6
600.21802	9.5
602.16656	3.0
625.19403	3.6
630.19635	1.9
631.20313	2.3
643.20551	1.5
657.22064	17.7
658.22107	5.7
701.93939	1.1
717.24170	78.7
718.24432	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15000	0.4
57.52120	0.5
59.01251	100.0
60.01591	1.1
61.98708	8.7
68.05236	0.4
74.46258	0.4
75.29828	0.4
98.20555	1.1
159.77205	0.4
269.60254	0.6
277.21518	0.5
286.65079	0.5
320.70187	0.5
398.93292	0.5
438.09464	0.9
441.15628	1.2
452.10422	0.6
452.15695	0.6
453.11227	2.5
454.12723	0.7
457.18872	2.0
458.19254	0.5
459.16708	2.0
467.13727	1.4
468.13617	0.7
480.14362	1.0
481.10638	3.2
482.11716	0.7
493.15012	0.6
495.16312	1.9
496.13803	14.4
497.14124	8.3
498.15231	2.7
499.15710	0.6
509.14685	1.0
510.15363	5.0
511.16190	8.4
512.17047	3.2
513.17761	4.0
514.18073	0.6
523.16461	0.7
527.19482	0.6
528.12805	1.1
530.14404	0.9
538.14893	0.9
539.19031	2.2
540.18958	0.6
542.14307	0.9
544.15814	6.0
545.16339	1.8
551.15601	0.6
552.16644	0.6
567.18866	10.2
568.18774	2.5
570.17584	2.0
571.18311	11.2
572.18518	2.2
583.18402	0.9
584.18604	0.6
588.14514	0.6
589.19043	1.9
590.19470	0.6
597.19611	2.3
598.20679	3.7
599.21478	33.5
600.21600	8.3
602.16241	3.0
603.17188	1.4
625.19574	1.3
630.19727	2.3
631.19891	1.3
643.20673	0.9
657.22064	15.9
658.22546	4.6
717.24146	74.8
718.24469	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	719.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.25754	0.3
59.01250	6.2
61.98706	2.3
65.00330	0.3
69.03332	2.3
70.25742	1.0
70.68933	0.3
71.01250	4.4
71.04919	0.7
73.02827	0.8
81.03344	0.3
83.01271	0.7
85.02843	0.8
85.06490	0.3
87.00772	0.7
87.79011	0.3
89.02319	3.0
92.79659	0.2
95.01274	0.5
95.04903	0.5
95.35664	0.3
97.06460	0.4
101.02330	3.6
107.08524	0.3
109.06503	0.6
113.02369	1.8
115.03911	0.3
119.03403	1.0
143.03444	0.3
145.04903	0.4
149.09662	0.8
161.04416	1.6
161.13199	0.4
167.10722	3.0
177.12779	0.6
179.05528	0.9
179.10718	1.1
179.14314	2.8
195.13843	8.2
205.12288	10.4
206.12617	0.6
209.11734	0.5
223.13354	100.0
224.13695	7.0
224.15865	0.3
235.08200	3.9
236.08514	0.4
253.09288	10.4
254.09665	0.5
277.21725	88.9
278.22067	9.2
290.18912	0.3
305.82382	0.3
441.21158	1.6
459.22354	8.1
460.22525	0.9
513.31091	0.4
622.27332	0.4
719.43921	0.6
720.44476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78352	0.1
53.51499	0.1
59.01252	3.3
59.67792	0.1
60.01584	0.3
61.01673	0.1
61.98703	100.0
62.98400	0.1
62.99126	0.1
70.32201	0.1
71.01258	0.2
86.39961	0.1
89.02319	0.1
125.02341	0.4
126.02661	0.1
137.02394	0.2
163.11273	0.1
165.01805	0.1
167.61209	0.1
188.80727	0.1
207.10190	0.4
211.13408	0.2
225.11275	1.0
253.09363	0.2
277.21707	0.8
289.07278	0.1
291.19717	0.2
312.29449	0.1
484.12039	0.1
498.13974	0.2
499.14291	0.5
500.14856	0.2
513.15930	0.3
514.16992	0.3
516.17749	0.2
546.15460	0.2
547.16376	0.1
565.29858	0.1
570.19525	0.3
574.18884	0.4
600.20990	0.2
601.21741	0.3
602.21692	1.0
605.17560	0.1
659.22253	0.1
660.22131	0.6
720.23578	3.9
721.22980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39341	0.2
56.47970	0.1
58.82357	0.2
59.01250	0.5
59.61448	0.1
61.98704	100.0
68.24923	0.1
70.65050	0.2
70.65394	0.4
76.91280	0.2
101.02345	0.2
125.02358	0.2
130.11086	0.2
173.04494	0.3
179.03264	0.2
191.05502	0.2
203.44733	0.2
209.11743	0.3
211.13382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65203	0.9
59.01255	1.6
59.10072	1.0
67.55053	1.0
69.54959	2.2
69.55364	4.8
71.01247	2.3
81.03351	1.0
85.02830	9.5
87.00758	2.1
89.03877	1.0
93.03336	17.2
111.00774	2.0
111.04424	3.5
117.03352	3.4
121.02839	8.3
123.57793	1.1
127.03909	1.3
129.01799	2.0
133.02864	1.7
134.03633	59.7
135.04442	25.6
136.04791	1.4
137.02339	4.5
137.75462	1.2
139.03928	3.5
149.02336	16.5
149.05984	6.4
155.03474	4.9
161.02382	1.7
173.04471	64.6
174.04947	2.1
179.03430	28.9
191.05545	43.1
192.05969	2.2
193.01358	10.1
193.04991	100.0
194.02077	1.6
194.05338	6.1
205.03482	2.9
216.67511	1.0
242.05756	1.1
244.45390	1.0
257.08069	1.1
285.11346	1.4
310.61063	1.3
353.08765	37.4
354.09122	3.4
367.06860	3.9
367.10370	56.1
368.06754	1.5
368.10648	7.4
373.09546	2.9
454.79559	1.0
457.33276	1.2
547.14410	1.5
721.19733	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	721.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.3
57.03330	7.1
59.01254	100.0
61.98702	36.4
69.03329	10.3
69.46626	3.9
69.46934	34.2
71.01252	62.6
72.54372	4.1
72.99173	6.9
73.02802	30.0
73.23782	3.7
74.79774	3.8
80.04942	12.7
82.02863	4.2
83.01275	13.1
85.02833	21.6
87.00766	10.1
87.04470	4.1
88.19544	3.7
89.02325	32.6
93.03316	5.8
94.02874	20.2
95.01259	6.7
95.16631	3.6
96.95908	21.5
97.02846	6.9
98.19790	5.0
99.00763	7.7
101.02331	41.1
107.03676	11.5
108.02092	3.8
108.04434	5.3
109.02821	7.1
113.02338	34.7
118.74886	4.0
119.03393	8.3
122.06006	48.3
124.03931	8.2
125.02328	12.6
127.03905	4.3
130.46062	4.2
132.04414	4.2
134.06009	8.8
135.04468	5.2
137.02348	8.0
138.05518	5.2
139.02600	5.8
149.04495	5.4
150.05533	34.3
152.07086	73.7
154.75697	4.4
155.10655	9.8
161.04514	9.5
165.01794	5.1
171.10144	5.8
173.04506	11.6
173.05959	5.9
174.01692	4.4
177.01865	5.8
190.05020	7.6
191.05544	7.2
199.09718	5.9
209.11884	4.9
210.36090	4.8
229.09586	4.9
255.11118	5.7
259.07239	7.9
259.10928	19.3
265.09775	5.6
273.12366	4.5
279.07687	4.6
285.12479	14.7
293.09354	10.2
297.12399	4.9
313.11783	5.4
315.13589	18.6
320.07977	9.3
333.14651	27.7
355.12994	16.1
367.12820	5.1
374.15033	6.1
385.14352	5.2
393.16687	4.3
399.15573	6.5
400.66946	4.6
417.16504	12.7
455.20905	29.1
456.21292	4.7
473.20947	22.9
515.22821	12.2
517.30084	21.8
557.20844	9.7
559.31311	6.4
564.23505	55.1
565.23730	8.2
571.26093	4.9
589.26703	26.6
627.21503	4.6
629.25952	9.6
639.24084	7.0
657.25543	90.4
658.26324	12.9
689.28351	86.6
690.28381	19.5
721.23627	6.2
721.35492	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	721.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59803	0.7
57.03323	3.1
59.01250	12.1
61.98703	25.7
69.03319	2.4
71.01256	9.2
71.04873	3.9
71.52998	1.2
73.02811	1.1
81.03345	2.2
82.83326	0.7
83.01263	1.1
83.04896	4.1
85.02833	2.1
87.00774	1.6
88.98681	1.2
89.02319	5.1
93.03336	1.4
95.04902	1.7
96.95899	0.8
97.02827	4.1
97.06451	2.3
99.00758	18.3
101.02339	5.3
109.06480	2.6
113.02347	2.6
122.06038	1.2
123.08068	1.5
125.02363	1.7
125.09612	7.3
135.04356	1.1
135.08047	1.1
142.02631	1.9
161.04478	1.8
161.09622	1.2
163.11209	12.6
163.70018	0.8
165.12746	1.2
171.10175	2.8
173.04413	1.6
181.12256	17.5
191.10660	1.1
197.11856	1.0
199.13344	9.8
207.10199	26.8
208.10619	1.6
209.11765	40.0
210.12148	2.4
214.97165	0.8
225.11276	40.1
226.11621	1.7
227.12828	3.1
243.09877	1.4
243.12332	21.5
244.12523	1.4
253.09308	2.8
289.07324	1.4
340.13583	0.9
461.20349	2.9
479.21426	6.8
480.21506	1.7
527.28351	1.2
627.20276	0.9
671.33026	3.4
677.30505	1.0
689.33923	100.0
690.34314	19.6
690.46259	1.1
721.37366	4.5
725.77350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71409	1.1
59.01249	15.6
61.98698	4.2
71.01262	8.8
71.51278	1.1
71.51676	1.8
73.02813	1.1
81.03329	2.2
83.04890	2.7
84.94290	1.0
85.02810	2.1
87.00752	2.6
87.12103	1.0
89.02309	4.6
95.01281	1.4
95.04906	5.1
97.02814	6.2
99.00776	1.3
101.02329	7.3
109.06478	28.2
110.03599	1.9
113.02289	5.1
119.03342	1.9
125.02309	1.9
125.09602	1.7
135.08047	3.2
142.02580	1.4
145.10181	1.4
161.04437	2.7
161.09596	2.2
163.11189	17.8
169.12292	1.4
179.05556	2.0
179.10707	1.5
181.12230	4.1
183.23193	1.0
189.09164	5.4
194.75395	1.2
197.11780	2.0
207.10199	86.3
208.10495	5.5
209.11766	6.6
211.13329	5.1
225.11275	100.0
226.11652	5.3
235.08174	5.1
253.09251	15.2
275.20160	1.9
277.21725	73.9
278.22021	6.5
291.19604	2.1
293.21082	1.3
299.14941	1.4
300.70456	1.1
400.86011	1.1
443.19070	8.7
461.20291	21.7
462.20804	3.3
467.31107	1.3
508.21747	1.2
721.41705	27.3
722.42432	6.1
727.17621	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33701	0.6
53.29201	0.6
53.49302	0.6
59.01250	12.2
61.98703	0.7
71.01250	8.1
72.99174	1.0
73.02815	1.1
81.03330	1.6
83.01225	1.1
83.04893	1.7
83.42335	0.6
85.02793	1.5
87.00752	1.6
89.02317	3.4
95.01280	1.5
95.04902	4.1
97.02827	4.4
97.19963	0.6
98.20663	1.5
99.00742	0.9
99.04381	1.1
101.02317	6.3
106.04124	0.8
109.02803	0.9
109.06469	8.9
110.03592	2.0
111.04382	1.1
113.02356	3.2
119.03381	1.4
121.06494	0.9
135.08058	2.5
142.49644	0.6
143.03482	0.9
145.05045	0.9
149.09540	0.7
161.04457	2.0
161.09613	2.0
163.11189	12.3
169.12207	0.6
179.05565	1.9
179.10687	2.1
181.12234	2.2
189.09109	4.7
197.11754	1.4
207.10207	37.8
208.10480	1.9
209.11746	3.0
211.13332	1.6
225.11275	100.0
226.11627	6.2
229.41527	0.7
235.08173	5.4
253.09273	9.8
275.20059	1.3
277.21722	63.5
278.22000	6.1
280.71487	0.7
286.99973	0.6
291.19879	0.7
293.21368	0.9
299.15128	0.7
381.45651	0.6
409.27185	0.7
443.19183	7.0
461.13705	0.8
461.20297	16.9
462.20602	2.4
721.41504	12.0
722.41956	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.0
63.38610	0.8
67.01768	2.0
69.76939	5.3
71.01270	1.3
85.02836	4.9
86.25919	1.1
89.61118	0.9
93.03339	10.9
105.03386	1.2
109.02849	1.6
111.00861	1.2
111.04428	2.6
123.04409	24.7
133.02841	7.0
135.04407	7.7
137.02357	2.6
142.05708	0.9
149.02306	1.4
151.03925	12.0
155.03400	1.6
173.04472	100.0
174.04778	4.4
177.01843	18.8
179.03384	10.7
186.67612	1.0
191.05536	59.1
192.05878	1.9
195.02921	21.8
314.64807	1.0
353.08731	11.1
354.09012	1.2
369.08258	23.9
370.08759	2.0
451.40985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69770	1.3
59.01251	1.3
60.99164	1.2
67.01743	2.9
69.03320	1.1
70.66208	2.2
70.66575	2.8
71.01265	4.2
81.03369	1.4
85.02819	12.6
87.00766	5.1
93.03336	24.7
105.07066	1.2
105.90729	1.0
106.66079	1.3
109.02827	3.4
109.19887	1.2
109.83102	1.1
111.00783	2.5
111.04411	5.8
121.02805	1.5
122.03636	1.7
123.04406	20.0
127.03924	2.1
129.01804	2.0
133.02869	8.1
135.04413	21.4
136.04787	1.6
137.02332	3.8
149.02400	1.3
151.03911	6.2
155.03352	1.6
161.02351	1.9
171.02933	1.5
173.04474	63.5
174.04819	3.3
175.02275	1.2
177.01833	12.3
179.03418	16.9
191.05540	100.0
192.05898	3.4
195.02933	11.5
205.03448	1.9
223.04626	6.7
224.04837	1.3
233.22571	1.1
255.10097	1.4
339.05249	2.1
351.07004	1.8
353.08759	34.1
353.13049	2.1
354.09302	1.2
369.08240	28.3
370.08459	2.7
375.07135	1.4
408.35474	1.3
494.84259	1.4
629.51764	1.4
641.29327	1.5
723.18030	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01255	22.3
61.62206	1.0
61.98709	5.8
62.53006	1.0
66.80225	1.0
69.03333	3.9
69.33019	9.7
71.01257	11.8
72.99196	1.3
73.02814	5.1
77.27316	1.0
77.76898	1.0
83.01266	2.8
84.23425	1.1
85.02848	5.4
87.00778	1.5
89.02322	3.5
90.47356	1.1
93.03285	1.3
95.01258	1.3
96.95876	2.7
97.02882	3.0
99.00765	1.9
101.02324	9.2
111.00735	1.1
113.02338	5.4
118.97992	1.2
125.02344	2.2
141.01791	1.3
155.10680	3.9
157.47189	1.2
161.05717	1.0
162.45776	1.0
165.01826	2.6
173.04446	2.1
179.03464	1.3
185.00888	2.4
191.05539	2.1
217.57977	1.1
227.03439	1.3
242.02263	1.3
243.03076	1.4
254.02148	1.6
257.04596	1.6
269.04608	2.0
270.01614	1.6
271.02475	28.9
272.02859	2.0
285.04041	4.2
299.01981	63.8
300.02304	5.8
313.03641	8.2
314.04312	100.0
315.04712	8.8
327.05341	1.5
328.05832	1.3
329.06656	36.6
330.07050	3.3
355.81073	1.2
431.22827	3.9
448.98569	1.3
475.27139	2.5
519.31812	13.0
520.31836	1.5
561.32880	2.8
619.16791	6.6
620.16632	1.5
637.17719	24.0
638.17859	5.8
679.18903	42.8
679.31763	3.3
680.19043	9.8
681.36584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04668	1.2
59.01258	8.8
61.98705	17.2
70.90398	1.9
78.95778	30.3
79.64278	1.2
80.02541	1.6
83.04899	7.6
84.02033	2.2
96.96835	3.1
135.08046	1.7
152.99487	49.4
163.11215	5.9
165.12741	4.2
171.00545	4.4
174.14728	1.2
186.95100	1.4
209.11771	100.0
210.12115	7.2
227.03160	4.8
227.12808	12.5
228.90973	1.2
253.21698	26.4
254.22119	2.4
277.21744	3.4
353.98901	1.4
363.12155	4.3
392.61853	1.3
395.14825	2.8
400.52423	1.2
406.81308	1.4
437.15875	4.7
455.16931	14.0
455.91547	1.7
469.18292	1.8
487.19476	89.7
488.19800	10.9
492.56326	1.4
536.48413	1.5
538.51404	1.5
689.18115	1.5
691.37891	10.7
712.27686	1.5
723.40802	64.7
724.41315	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	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
55.94105	0.2
58.00476	0.3
59.01251	4.8
61.27172	0.2
66.72759	0.2
69.53603	0.3
70.90189	0.4
70.90523	0.4
71.01248	4.2
72.99192	0.3
73.02819	1.1
77.65302	0.3
79.98129	0.2
80.02547	0.8
81.03340	1.0
83.01242	0.6
83.04888	3.9
84.02029	0.6
85.02827	1.1
87.00761	0.7
89.02335	2.3
90.10459	0.3
91.03898	0.3
95.04933	0.6
97.02847	0.3
97.06467	0.5
97.85725	0.3
99.00752	0.3
99.42908	0.2
101.02322	3.8
109.06448	0.4
113.02322	1.9
119.03373	0.7
125.05926	0.4
133.05006	0.4
135.08066	0.6
143.03477	0.3
145.04967	0.7
151.48497	0.2
158.20724	0.2
161.04504	1.4
163.11215	3.0
165.11572	0.3
165.12790	1.7
179.05579	0.5
181.12283	0.7
182.79730	0.2
183.13826	0.3
191.10718	1.0
199.13361	1.8
207.10109	0.6
209.11778	87.6
210.12125	5.3
211.13289	0.4
217.78047	0.2
227.12857	13.4
228.13222	0.9
235.08195	4.9
236.08531	0.3
253.09288	9.6
254.09637	0.6
259.20660	0.4
275.20242	0.4
277.21725	100.0
278.22079	9.3
414.15356	0.3
445.20868	0.9
463.21619	0.8
625.36847	0.3
723.42218	1.2
729.57208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70634	0.2
55.01736	0.4
58.00475	0.3
59.01252	4.7
69.03342	0.3
69.79940	0.8
69.80370	0.7
71.01255	3.8
73.02818	0.8
80.02549	1.0
81.03348	1.1
83.01262	0.8
83.04903	4.3
84.02021	0.5
85.02835	1.0
86.57346	0.2
87.00758	1.1
89.02326	2.1
95.01277	0.4
95.04940	0.2
97.02855	0.3
97.30199	0.3
101.02333	3.2
103.68622	0.2
112.10571	0.3
113.02354	1.6
119.03416	0.5
135.08069	0.7
145.04958	0.6
152.17937	0.3
160.64838	0.2
161.04488	1.3
163.11218	3.5
165.12758	2.1
179.05528	0.3
181.12228	0.5
182.51555	0.2
191.10706	1.2
199.13358	0.6
209.11778	92.1
210.12126	5.9
211.13316	0.5
224.81706	0.2
227.12851	10.5
228.13211	0.7
235.08192	5.2
253.09271	8.7
254.09590	0.4
259.20493	0.3
259.86969	0.3
275.20059	0.5
277.21729	100.0
278.22089	9.2
278.24435	0.1
293.92645	0.2
445.20596	0.5
463.21597	0.4
513.30530	0.3
583.24103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
56.02255	0.1
57.03318	0.3
58.00465	0.2
59.01251	3.4
59.48219	0.1
62.42885	0.1
69.01648	0.1
69.03320	0.2
69.25758	1.1
69.26167	0.3
71.00854	0.2
71.01248	2.6
72.99162	0.1
73.02842	0.3
73.86520	0.1
79.92320	0.1
80.02547	1.1
81.03328	1.3
83.01254	0.6
83.04396	0.3
83.04897	5.0
84.02039	0.8
85.02397	0.2
85.02827	0.7
87.00752	0.6
89.02316	1.9
93.03326	0.2
95.04906	0.5
97.02856	0.2
101.02325	2.0
109.06438	0.3
111.26700	0.1
111.60845	0.1
113.02331	1.3
119.03395	0.6
125.05970	0.4
125.09575	0.2
131.03346	0.2
132.60387	0.1
133.04994	0.2
135.08073	0.6
143.03418	0.3
145.05014	0.2
147.11671	0.3
161.04517	0.8
163.11209	3.7
164.11540	0.2
165.12784	2.2
166.13074	0.2
179.05521	0.5
181.12270	0.5
186.78827	0.1
191.10719	1.0
199.13348	0.1
209.11780	100.0
210.12114	6.6
211.13358	0.5
227.12846	10.6
228.13196	0.6
233.22665	0.2
235.08200	1.1
253.09271	6.7
254.09549	0.2
259.20709	0.1
275.20065	0.2
277.21716	46.5
278.22079	4.5
285.69730	0.1
293.21237	0.2
333.80386	0.2
427.45273	0.1
429.32632	0.1
445.20914	1.0
692.80255	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90858	0.2
55.01763	0.2
56.32798	0.2
57.03293	0.2
58.00468	0.3
59.01248	4.0
71.01251	2.8
71.10174	0.4
72.99184	0.2
73.02822	0.5
80.02130	0.2
80.02512	0.9
81.03331	1.2
83.01237	0.7
83.04900	4.2
84.02034	0.8
85.02829	0.6
87.00740	0.6
89.02319	2.3
95.01279	0.4
95.04901	0.4
97.02824	0.2
97.06452	0.2
101.02325	2.6
109.06481	0.4
111.64305	0.2
113.02332	1.3
119.03385	0.7
125.05984	0.4
125.09684	0.2
135.08049	0.6
145.04935	0.4
158.92455	0.2
161.04523	1.2
163.11205	3.4
165.12747	2.0
179.05540	0.4
181.12341	0.4
191.10760	0.9
199.13297	0.4
209.11769	100.0
210.12105	5.8
211.13402	0.3
223.90182	0.2
227.12837	10.8
228.13159	0.5
233.22794	0.2
235.08134	2.3
242.18338	0.2
253.09271	8.2
254.09579	0.4
259.20609	0.3
277.21722	62.5
278.22070	5.6
280.88348	0.2
445.20862	0.8
463.22064	0.2
723.42511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05684	0.2
57.03315	0.3
59.01249	4.1
69.03334	0.5
71.01255	3.3
72.99185	0.3
73.02826	0.4
80.32739	0.2
81.03345	0.3
83.01262	0.7
83.04893	1.0
85.02822	0.9
86.47358	0.2
87.00756	0.8
89.02314	2.5
95.01257	0.5
95.04910	0.4
95.32580	0.2
99.00729	0.2
101.02325	3.1
104.30231	0.2
111.08050	0.3
111.20730	0.3
113.02340	1.4
119.03392	0.6
143.03394	0.4
144.53563	0.2
145.04961	0.3
155.10579	0.3
161.04485	1.3
163.11169	0.8
165.12761	0.7
167.10643	0.5
167.14304	0.8
171.10196	0.3
179.05511	0.5
179.14326	0.5
181.12312	0.5
183.13832	6.1
183.15375	0.4
184.14127	0.3
193.12244	1.8
195.13824	4.7
196.14429	0.4
199.64601	0.2
205.12254	0.4
209.11771	24.1
210.12173	1.3
211.13333	100.0
212.13673	6.8
223.13327	3.2
224.13652	0.4
225.11284	0.2
227.12843	2.1
228.13522	0.5
231.21169	0.5
235.08170	3.5
236.08641	0.2
253.09267	14.4
254.09618	0.8
256.13187	0.8
265.21661	0.3
275.20129	4.7
276.20541	0.4
277.21719	10.8
278.22021	0.9
291.19690	0.3
293.21216	59.9
294.21561	6.3
422.41116	0.2
429.21017	0.2
447.22275	4.2
448.22516	0.8
487.34244	0.3
492.21524	0.3
529.30042	0.7
626.49988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44705	0.3
54.30933	0.3
55.01752	0.4
58.00464	0.5
59.01251	6.7
69.03317	0.4
70.89423	0.8
70.89745	0.5
71.01252	5.3
73.02814	0.7
80.02542	0.4
81.03345	0.7
83.01276	0.8
83.04908	2.5
84.02050	0.5
85.02837	1.2
87.00756	1.1
89.02313	3.6
95.01276	0.6
95.04910	0.4
101.02325	4.9
107.50655	0.4
110.89738	0.4
111.00768	0.4
111.08006	0.6
113.02329	2.1
119.03400	1.0
143.03464	0.7
145.04997	0.7
149.04662	0.3
161.04535	2.1
163.11111	1.7
165.12756	1.4
167.10699	0.6
167.14296	0.9
179.05560	0.7
179.14297	0.4
181.12267	0.8
183.13837	6.7
191.10764	0.8
193.12312	1.4
195.13838	4.9
196.14337	0.8
199.13350	6.2
205.12308	0.7
206.51895	0.4
209.11781	49.6
210.12105	3.4
211.13342	100.0
212.13663	5.4
223.13359	4.2
227.12857	19.1
228.13321	1.1
235.08215	4.4
253.09276	17.7
254.09457	0.7
275.20157	4.6
276.20471	0.6
277.21732	43.8
278.22134	4.0
293.21231	56.3
294.21591	4.9
445.20737	0.9
447.22397	4.5
463.21927	2.8
469.33371	0.7
487.34320	0.9
529.30286	0.7
553.86481	0.4
563.72827	0.4
624.73041	0.4
699.66925	0.4
723.42981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89284	0.2
55.01752	0.3
57.03317	0.2
58.00470	0.3
59.01247	4.3
61.98704	6.9
63.99127	0.3
69.03320	0.7
71.01254	3.7
71.04911	0.3
71.08798	0.5
73.02821	0.8
80.02538	0.5
81.03319	0.4
83.01267	0.5
83.04903	1.8
84.02014	0.2
85.02816	0.7
85.78907	0.2
87.00753	0.6
89.02316	2.9
99.00789	0.3
101.02335	4.0
111.08056	0.4
113.02332	2.4
113.18166	0.3
119.03389	1.1
125.74931	0.2
127.62764	0.2
133.05061	0.2
133.94936	0.2
143.03362	0.4
145.05003	0.4
161.04424	1.6
163.11168	1.3
165.12744	1.1
167.14337	0.8
171.10277	0.2
179.05554	0.6
179.14325	0.5
181.12331	0.4
183.13821	6.5
184.14122	0.3
191.10597	0.3
193.12279	1.8
195.13824	4.5
196.14444	0.3
205.12413	0.2
205.16025	0.2
209.11772	36.1
210.12119	2.1
211.13336	100.0
212.13684	5.4
223.13336	3.4
224.13835	0.2
227.12845	3.2
228.13518	0.6
235.08231	3.2
253.09265	15.4
254.09566	0.5
256.13260	0.6
275.20169	4.3
276.20450	0.4
277.21725	17.5
278.22153	1.6
293.21219	58.1
294.21552	5.6
421.79529	0.2
447.22327	4.8
448.22610	0.4
487.34045	0.7
529.30060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4326
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01246	6.9
61.98702	1.9
67.99873	0.6
70.85219	1.0
71.01257	5.4
73.02821	1.4
83.04916	1.6
85.02840	1.7
87.00748	0.7
89.02323	4.1
95.01244	0.7
95.18365	0.6
97.06491	0.9
101.02344	4.4
111.08041	2.1
113.02354	2.8
117.52572	0.6
119.03378	0.8
133.04953	0.8
133.81873	0.7
161.04485	1.8
163.69727	0.6
165.12773	10.4
183.13829	75.4
184.14139	3.4
185.11761	0.8
199.13312	1.2
209.11766	7.2
227.12842	5.6
233.22710	1.2
235.08139	2.9
253.09248	7.3
259.20462	0.8
277.21719	100.0
278.22089	9.2
282.67471	0.6
368.68704	0.6
445.20731	1.6
463.21964	3.5
496.62149	0.6
585.46613	0.6
714.58606	0.6
723.43231	75.4
724.43524	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	725.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.5
59.01245	1.8
60.80275	0.4
63.02269	0.4
65.00189	2.1
71.01240	0.9
71.53345	0.5
73.02784	0.8
75.38112	0.4
83.01253	1.0
85.02823	0.7
87.00723	0.8
93.03350	1.1
95.01297	0.7
96.95910	0.6
107.01283	1.9
109.02849	0.8
109.99982	3.7
111.00806	2.8
121.02846	0.8
123.00783	0.9
123.04419	0.8
124.01538	0.9
124.98724	0.5
125.02348	2.6
135.04388	0.7
136.57498	0.4
136.98706	0.9
137.02292	0.5
137.99486	0.8
139.00276	6.9
139.03882	1.8
141.98988	0.5
143.04919	0.9
145.02835	0.5
147.00775	0.8
149.02351	4.4
149.99510	0.7
151.00279	6.9
152.01022	0.4
159.04417	1.6
161.02361	1.6
163.00314	3.1
164.01042	1.8
164.98228	3.1
165.99002	7.2
166.99814	0.7
169.01357	0.6
169.02792	0.5
171.04437	3.7
173.02243	1.0
175.00293	4.4
175.03900	0.7
177.98991	1.6
178.99829	3.7
179.03413	0.9
182.00835	0.5
182.03340	0.5
185.02388	0.8
186.03117	0.5
187.03973	2.9
189.01875	2.0
190.02550	0.8
191.03307	0.8
191.05571	1.6
193.98537	2.7
197.02370	0.9
198.03088	0.5
199.03981	2.6
201.01852	1.5
202.02608	0.5
203.03468	2.6
205.01259	0.6
213.01915	1.0
214.02632	1.4
215.03409	8.3
216.04066	0.6
217.01340	1.3
219.02902	0.7
226.02614	1.3
227.03427	1.5
229.01373	1.0
230.01996	0.6
231.02995	6.0
232.03177	0.5
241.01428	2.7
242.02130	2.0
243.02940	7.9
244.03363	0.7
245.00821	1.3
255.02933	2.0
257.00830	1.1
258.01651	3.3
259.02432	11.8
260.02814	1.2
268.84320	0.4
269.00919	2.4
269.04156	0.5
270.01736	2.2
271.02472	8.0
272.03134	3.3
273.03946	0.5
284.03223	1.1
285.00708	0.8
285.04044	1.6
286.01382	2.2
287.01971	92.7
288.02292	8.2
295.02463	0.7
298.01123	3.2
299.01895	4.4
300.02609	5.1
301.03452	2.9
302.03937	0.9
311.02063	0.5
312.99994	1.0
313.03506	1.8
314.04230	0.8
315.01492	53.9
315.04956	3.4
316.02075	13.0
316.05750	1.0
317.02606	1.6
329.03125	2.7
330.03763	33.7
331.04446	10.1
332.04709	0.8
350.08798	0.8
359.14960	1.9
519.11438	1.2
521.20148	0.5
535.11267	0.6
639.15515	2.0
649.14642	0.9
681.16681	100.0
682.16937	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	725.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
59.01242	3.5
60.99158	1.1
62.85735	1.0
66.96040	0.7
67.01752	4.8
71.01263	4.3
71.51550	1.1
83.04901	0.9
85.02824	2.4
86.48497	0.7
87.00736	2.5
90.66068	0.8
93.03335	23.5
109.02837	66.5
110.03160	1.9
111.00728	0.9
111.04398	3.5
115.00242	1.2
125.02383	1.0
134.03629	16.0
137.02327	4.6
149.05963	3.0
151.49168	0.8
155.03380	3.3
163.03860	1.0
173.04465	100.0
174.04805	3.2
175.02507	4.0
175.03781	1.0
184.43259	0.8
191.05539	9.6
193.04984	14.3
229.61116	0.9
242.02058	2.0
243.02908	2.7
270.01685	2.0
271.02408	1.9
285.04074	1.5
299.02170	1.6
300.02658	2.9
313.03693	4.3
313.09244	6.3
314.04233	3.1
315.05139	5.6
357.06323	1.1
367.10278	22.0
368.10641	1.5
462.35898	0.9
477.10480	2.1
519.11572	8.1
520.11768	1.7
561.12189	1.0
583.21667	0.9
681.16663	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00494	0.6
57.03316	0.9
59.01258	14.0
61.83258	0.6
61.98702	1.9
62.87131	0.8
64.60515	0.7
69.03332	2.2
71.01254	4.2
72.99187	0.7
83.04892	1.0
85.02798	1.2
87.97508	0.7
89.02311	2.0
101.02331	2.6
109.06478	1.9
111.08024	2.0
113.02325	2.1
113.20617	0.8
125.02335	1.9
161.04369	1.6
167.03358	0.8
167.10675	3.6
169.12233	2.8
179.05608	0.9
179.10760	1.0
179.14380	4.0
195.13843	9.4
197.11772	37.2
198.12129	1.7
199.13333	1.0
205.12326	8.5
206.12619	0.8
209.11794	2.2
210.12115	1.5
211.13373	2.7
212.13635	0.7
223.13351	100.0
223.67093	0.7
224.13664	7.9
235.08263	4.6
253.09267	9.1
277.21805	1.7
278.21802	0.9
289.07257	1.1
291.19736	5.5
293.21173	2.3
294.21616	1.0
309.20718	10.7
340.52322	0.8
429.26514	1.4
433.20721	1.7
441.21246	2.9
459.22342	15.7
460.22711	2.6
595.31488	0.9
621.32648	1.0
643.82001	0.7
647.34912	2.1
648.34784	0.8
665.35254	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52389	1.0
55.60381	0.9
57.03308	1.8
59.01254	8.6
59.20942	1.0
61.98692	1.5
69.03314	1.1
70.15929	2.3
70.16323	2.5
70.44936	1.1
71.01253	7.8
73.02788	1.3
83.16486	1.0
85.02818	2.5
89.02317	3.1
97.06491	5.2
101.02347	5.2
113.02329	3.4
125.02269	1.2
128.69016	1.2
151.11197	12.5
161.04504	1.7
169.12259	90.3
170.12567	4.7
171.10069	1.2
195.10216	1.1
195.13875	2.4
197.11800	1.2
211.13196	2.4
213.11276	11.6
223.13474	1.9
235.08202	2.2
253.09247	3.7
275.20190	2.1
277.21664	1.5
293.21228	15.6
294.21530	2.5
322.00333	1.4
431.19083	2.5
449.20276	7.6
457.08795	1.6
725.41187	100.0
726.41437	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	725.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
57.49919	0.3
59.01252	3.7
61.98708	0.6
70.82364	0.3
71.01250	3.8
71.44267	0.7
73.02833	0.4
78.95795	0.4
81.02970	0.3
83.01262	0.6
85.02810	1.0
87.00739	0.6
89.02318	3.1
95.04829	0.3
101.02323	3.1
101.51824	0.3
111.08067	0.5
113.02357	1.8
119.03408	1.1
125.02382	0.5
131.03374	0.4
143.03363	0.4
146.46376	0.4
161.04475	1.9
167.10675	0.4
171.10242	0.6
179.05563	0.7
179.14371	0.6
183.13837	13.6
184.14165	0.7
195.13849	17.9
196.14214	1.3
211.13414	1.9
212.13608	0.8
213.14912	100.0
214.15245	6.0
223.13391	3.7
228.13660	0.3
229.70982	0.3
235.08182	1.6
253.09270	24.1
254.09590	1.0
256.13138	0.6
275.20206	3.9
276.20547	0.7
277.21649	0.7
293.21234	61.3
294.21530	6.4
295.21915	0.4
434.50299	0.3
440.80457	0.3
489.35818	5.5
490.36179	0.9
492.22192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	6.1
63.02274	2.5
65.00175	5.3
70.67064	4.1
70.67409	2.2
71.01256	5.1
83.01263	3.2
83.53557	1.9
89.02340	3.3
95.01271	4.0
99.92447	7.0
101.02342	3.6
106.00506	3.9
107.01260	8.5
109.02842	5.8
109.99974	4.4
111.00767	7.4
113.02269	2.4
116.92754	97.1
117.92751	6.1
121.02844	3.1
123.00753	6.8
125.02381	3.6
135.00726	3.6
135.04347	2.4
137.02362	3.9
139.00279	6.0
149.02325	3.8
149.99478	3.9
151.00290	32.2
152.00941	2.1
153.01817	2.8
153.98994	2.4
154.90376	2.4
154.99757	6.8
155.10672	15.0
159.04361	4.3
161.02338	3.9
163.00246	5.2
164.98335	2.9
165.01808	2.4
165.98975	3.8
166.99780	3.1
168.00645	2.8
169.01341	4.5
171.04477	2.3
173.02295	2.5
177.01836	3.7
177.98962	5.7
178.99789	37.2
181.98433	3.4
185.02498	1.9
187.03949	4.6
189.01735	2.3
192.00549	3.7
193.01331	4.2
194.99236	3.7
199.03929	3.9
199.09700	8.9
201.01900	3.8
203.03400	5.8
215.03438	6.7
230.01990	2.2
231.02934	6.4
232.03702	3.5
242.02321	3.1
243.02881	11.0
255.02988	4.3
258.01505	3.1
259.02417	6.3
260.03064	3.0
271.02536	29.8
272.02811	5.1
286.01160	6.8
287.01987	39.9
288.02600	9.0
297.00516	5.1
299.01971	8.0
300.02728	21.8
301.03299	7.7
314.00827	2.4
315.01456	100.0
316.01944	10.8
332.01743	19.4
402.20514	2.1
523.20178	8.6
543.13391	2.8
547.13318	2.7
609.14636	8.8
637.14276	4.4
665.13721	6.1
680.24695	2.3
683.14618	24.0
684.15247	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	728.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.3
61.98703	100.0
71.52100	0.2
75.00750	0.3
78.95750	0.1
81.87085	0.1
83.97790	0.1
115.91008	0.1
118.39967	0.2
123.08067	0.1
125.02326	0.3
157.48802	0.2
167.03444	0.2
197.11714	0.2
198.53331	0.2
199.80063	0.1
207.54448	0.1
223.13419	0.5
224.13744	0.4
251.90262	0.2
460.39185	0.2
480.82242	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77219	1.3
57.03324	5.2
58.02849	2.3
59.01253	18.2
61.98700	4.4
65.99727	2.8
68.01302	3.6
69.03329	2.1
69.32801	8.4
69.33218	4.1
71.01254	10.4
72.99195	1.8
73.02833	5.6
82.02859	11.4
82.06517	2.7
83.01268	2.8
83.02384	5.3
84.00795	2.1
85.02835	6.4
86.02401	1.4
87.00756	12.7
88.89615	1.7
89.02341	4.0
93.03321	2.2
94.02871	14.6
95.01266	2.2
95.02390	21.2
96.00809	1.6
96.95854	2.5
97.02834	1.9
97.03949	3.1
98.02401	1.5
99.00790	1.6
101.02325	6.7
106.02845	2.2
107.02422	3.7
108.02022	1.5
108.04436	4.2
109.02822	2.6
109.03964	31.3
111.00771	3.9
111.05535	3.0
113.02311	4.4
113.05973	4.3
114.01863	2.6
115.08644	12.0
119.03461	2.0
121.02784	1.9
122.02412	3.4
122.03516	5.3
123.05495	8.8
124.03916	3.6
125.02385	2.7
125.03440	1.7
126.01884	3.2
128.07051	1.4
129.01855	3.2
129.10246	4.6
130.08649	11.5
133.03999	1.4
135.01926	13.7
135.04411	4.1
136.03960	4.5
137.02431	2.6
137.03444	10.5
139.08673	2.6
141.10236	3.5
147.02986	3.2
148.05058	1.6
149.03467	9.2
149.06007	1.4
150.01877	4.5
150.06808	1.9
151.03864	2.1
151.05032	16.8
152.03471	1.7
152.07143	2.0
153.02979	2.2
153.06610	3.2
155.10701	6.2
156.06567	18.9
157.09737	20.8
161.03479	2.9
162.02966	2.8
164.02214	1.6
164.03468	2.9
164.18179	1.4
165.02972	4.3
165.10315	2.1
167.04559	6.3
173.04550	2.9
176.10704	2.6
177.02998	9.1
179.04559	4.8
179.11977	3.0
189.03091	1.9
191.01933	2.6
191.05704	2.7
193.02480	16.0
195.11365	2.3
199.09666	3.8
203.04630	3.1
204.11398	3.1
205.02484	6.7
207.04060	5.5
210.16212	7.0
219.11273	9.0
222.12482	21.6
228.17116	13.1
237.12431	4.3
247.03746	1.7
248.10406	8.5
249.12549	2.5
252.17104	8.8
260.10434	1.6
262.11902	7.3
266.08957	1.3
266.11432	8.2
270.18143	13.6
280.12903	7.1
289.07031	1.9
292.13065	5.7
302.69626	1.5
306.10941	3.4
324.12003	14.1
334.14084	2.0
336.12109	5.9
378.13043	4.1
439.25250	1.7
450.23511	2.3
464.21692	5.5
476.21338	2.4
508.51053	1.5
518.22455	1.8
537.30426	100.0
538.30731	18.5
565.29913	2.5
577.29926	4.1
580.78973	1.5
595.30957	65.7
596.31317	17.2
607.30951	23.6
608.31348	3.7
631.64874	1.4
649.32117	7.9
729.33069	14.1
730.34015	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	729.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20008	0.7
55.01764	0.9
57.03318	2.3
58.00478	1.6
59.01251	100.0
61.98703	11.7
62.20228	0.7
69.03338	3.0
71.01254	46.2
72.01595	0.8
72.99186	2.2
73.02820	38.5
75.00755	1.5
81.03356	0.8
83.01258	10.1
83.01713	0.9
85.02821	11.2
87.00755	2.3
89.02321	15.2
92.20498	0.7
93.03313	1.0
95.01279	3.1
96.95875	1.2
97.02836	9.3
97.56390	0.8
99.00763	1.3
101.02324	42.9
102.02682	1.0
107.00620	0.7
111.00756	0.7
113.02331	31.6
114.02639	0.9
119.03375	9.2
121.02865	3.3
125.02309	4.0
131.03404	3.8
135.04431	1.3
136.05217	1.2
137.02419	0.7
137.09669	2.0
143.03403	7.1
149.04509	5.4
149.06006	0.8
150.06918	0.8
151.04005	0.8
151.07524	0.8
155.03482	1.5
155.10689	23.4
156.11023	1.8
161.02400	0.9
161.04465	12.8
165.01906	2.8
165.05579	0.9
170.38364	0.9
173.04477	1.5
179.03966	0.6
179.05536	4.4
191.05553	1.0
199.09700	23.6
200.10072	2.2
203.05655	1.7
209.11813	2.2
221.06618	2.3
227.07726	0.8
227.13023	0.8
287.12405	0.7
299.01965	0.8
361.15125	1.9
419.20822	1.0
481.28583	0.9
481.35519	0.9
531.01837	0.8
567.21216	3.2
583.31543	2.1
597.87030	0.7
601.32397	1.1
627.34192	1.9
643.33856	2.4
649.98102	0.8
662.04901	1.0
685.38385	2.7
729.26868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
57.03318	1.2
59.00959	0.5
59.01251	9.0
59.98382	0.8
60.43527	0.4
61.98687	0.7
65.59921	0.4
69.03336	0.5
69.39857	0.7
69.40261	2.4
71.01254	12.5
72.99168	0.7
73.02824	5.8
75.00724	0.5
78.11806	0.4
83.01258	3.0
85.02824	8.8
85.99968	0.7
87.00745	0.8
89.02312	0.6
95.01259	1.6
97.02818	0.7
99.00748	2.5
99.04372	0.6
101.01707	0.8
101.02325	11.2
105.47433	0.4
113.02332	5.8
125.02328	0.7
129.01788	0.5
130.85780	0.5
143.03435	0.4
151.07533	0.8
159.02853	0.8
161.04448	1.3
166.54849	0.4
195.13000	0.4
217.15915	0.9
319.22757	5.8
320.23083	0.8
463.26248	0.5
481.28024	100.0
482.28427	14.0
523.28925	2.3
525.30499	0.4
685.40912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.6
57.03313	1.5
58.00460	0.8
59.01253	18.0
59.98392	0.4
61.98704	2.4
69.03332	0.9
71.01254	17.4
71.07951	0.6
72.99171	1.3
73.02822	5.6
78.95762	0.5
83.01270	3.2
85.02831	8.6
87.00748	1.0
89.02316	4.2
89.64002	0.3
95.01257	1.4
97.02833	0.7
99.00756	2.6
99.04386	0.8
99.68507	0.3
101.02325	10.0
110.37208	0.4
111.00721	0.3
113.02332	6.2
114.02658	0.3
114.95930	0.3
119.03393	1.3
119.04903	0.5
119.56811	0.3
125.02338	1.4
129.01826	0.9
137.02251	0.3
144.75488	0.3
148.00606	0.4
151.07588	0.8
159.02867	0.4
161.04492	0.8
163.04012	0.4
171.10204	0.4
173.04494	0.4
191.05566	0.6
209.11572	0.5
226.89365	0.3
253.09183	0.6
267.23245	0.4
301.21756	1.0
303.23276	8.3
304.23636	0.8
319.22787	2.4
463.26999	3.9
464.27545	0.4
465.32864	0.5
481.28049	100.0
482.28378	16.7
523.28937	4.6
524.29419	0.7
631.23883	0.4
685.41595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	13.0
60.99177	18.1
61.98700	3.9
69.03339	1.0
70.81477	1.5
70.81785	1.6
71.01246	4.4
72.99174	1.3
73.02818	1.9
79.99036	0.9
83.01265	1.1
85.02808	3.0
87.00742	3.7
88.00287	2.2
88.63622	0.9
88.98677	100.0
89.02317	16.6
89.99002	1.2
93.03354	1.0
95.01273	1.3
99.04444	1.4
101.02332	3.1
113.02343	1.7
117.94528	0.9
125.02358	1.9
133.51801	1.2
201.11250	1.9
211.13292	2.2
253.09167	1.5
381.30191	1.3
448.56836	1.0
477.62097	0.9
481.26981	7.9
482.28391	1.5
523.28796	2.4
598.96729	1.0
685.39447	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	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73942	0.1
59.01255	0.3
61.98703	100.0
62.98383	0.1
65.05294	0.1
70.38280	0.1
70.38612	0.2
80.96412	0.2
98.03014	0.1
121.48814	0.1
145.95607	0.1
171.10188	1.9
172.10547	1.1
173.10680	0.6
183.99658	0.1
237.45093	0.1
277.21707	0.7
278.22192	0.7
279.22467	0.5
576.73993	0.1
731.37177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19666	0.1
59.01253	0.4
61.98704	100.0
62.98405	0.3
68.01968	0.1
70.25750	0.3
70.26148	0.2
75.96497	0.1
77.94685	0.1
80.96401	0.5
83.09154	0.1
96.94267	0.1
171.10193	1.0
172.10583	0.4
173.10715	0.2
188.65117	0.1
277.21832	0.5
278.22180	0.7
279.22461	0.6
280.22571	0.2
341.99390	0.1
406.73898	0.1
496.27054	0.1
498.69559	0.2
519.14758	0.1
567.62878	0.1
696.94745	0.2
731.37262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.9
60.02031	0.6
60.99181	20.2
61.98701	1.2
68.58877	0.6
70.39386	0.5
87.00747	7.6
88.00264	1.4
88.98680	100.0
89.02320	20.0
222.10530	0.6
275.93228	0.8
277.60367	0.7
400.14188	1.7
438.13379	2.4
439.14432	0.7
467.13779	2.6
470.12485	0.9
474.69324	0.6
481.15198	15.2
482.15665	6.4
495.16840	1.8
497.18390	3.7
512.30634	0.7
514.14966	7.8
515.15698	1.5
525.14972	0.8
528.16693	0.9
540.16589	4.0
541.17151	0.8
555.18872	36.0
556.18988	8.8
572.15552	6.8
573.16144	1.1
641.22894	2.3
659.23572	24.8
660.23846	4.8
731.25482	4.4
732.25958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07611	0.7
59.01248	2.2
60.99176	17.0
61.98707	3.8
70.72913	1.4
71.01237	1.5
84.02037	0.7
86.58044	0.5
87.00761	1.4
87.99789	0.6
88.00286	2.7
88.98678	100.0
89.02320	11.1
89.99032	1.4
90.74317	0.6
93.03272	0.6
101.02319	0.9
109.02859	0.8
110.36394	0.7
123.04429	0.6
125.02345	2.4
151.03918	1.1
163.25946	0.6
166.29803	0.6
167.03378	0.8
171.10179	27.8
193.12227	1.0
196.45815	0.7
196.48140	0.6
211.13358	2.2
225.14949	1.6
235.08096	1.3
237.85605	0.6
244.81982	0.7
253.09131	3.7
272.63852	0.7
278.19370	0.6
289.07187	1.4
341.23309	13.3
342.23773	0.9
407.19269	1.1
481.41312	0.7
589.01019	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.9
61.02847	1.2
61.98695	4.1
62.42696	1.2
64.20646	1.2
68.07694	1.3
70.76991	1.5
71.01256	2.0
71.52306	1.3
71.52727	1.5
75.00726	1.3
78.91766	4.3
125.02332	2.1
315.83072	1.4
438.09903	1.4
442.16473	3.2
453.11429	1.5
455.17261	9.2
456.17349	2.9
456.91632	1.4
457.18915	14.0
458.19189	2.8
469.11288	3.4
473.18369	13.5
474.15720	4.4
485.18112	5.8
494.00089	1.5
496.13864	10.1
497.14328	4.7
499.16556	1.5
502.14764	1.9
510.15302	1.7
511.16150	10.5
512.13123	23.3
513.13684	7.1
513.20923	2.4
526.14874	15.9
527.15820	15.0
528.16687	6.3
529.16998	2.1
560.15540	2.3
583.18359	9.7
584.18494	3.2
597.19501	3.3
599.21442	8.1
600.21387	2.0
614.20215	100.0
615.20593	46.8
616.20898	5.3
631.71222	1.4
646.19501	13.2
647.19678	2.3
673.21442	5.8
674.21973	2.8
733.23676	3.1
734.24017	1.4
751.83044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17818	1.4
57.03316	3.2
59.01253	100.0
60.01596	1.9
61.98702	14.4
62.55628	1.4
69.03339	2.9
71.01255	32.8
71.53709	1.9
72.99179	2.5
73.02825	10.2
74.90822	1.6
75.00724	1.5
83.01253	7.6
83.04926	1.7
85.02832	14.1
87.00771	3.8
89.02315	13.5
95.01271	5.1
95.11171	1.4
96.95892	5.4
97.02843	3.8
99.00756	3.7
101.02322	20.3
109.02914	1.6
113.02331	24.5
114.02689	1.5
119.03382	5.0
119.04930	1.6
124.01572	2.2
125.02310	8.7
135.04410	2.4
135.08086	2.0
137.02324	3.1
143.03403	5.9
151.03899	1.4
151.07510	2.0
155.10596	1.9
159.02931	1.4
161.02431	1.9
161.04501	6.8
173.04468	3.1
179.03320	1.6
179.05508	3.5
186.87395	1.4
191.05574	3.4
277.34753	1.5
289.07263	3.8
381.22864	4.6
399.23932	3.9
441.21204	3.8
507.26215	1.8
520.04358	1.6
525.27063	19.8
526.27557	4.1
543.28113	54.1
544.28632	7.9
561.29199	14.9
562.29169	3.3
585.29279	8.2
603.30725	9.5
604.30670	2.6
647.35254	2.5
733.25476	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	733.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58092	0.3
56.67440	0.3
58.53636	0.3
59.01250	9.0
61.98705	4.1
67.42696	0.3
69.03331	0.3
71.01257	3.8
71.04575	0.2
71.51933	0.3
71.52318	0.3
73.02810	0.4
73.08315	0.2
83.04874	0.3
85.02818	0.5
87.00748	0.4
89.02297	1.2
101.02334	1.4
109.06453	0.4
112.29076	0.3
113.02319	1.2
119.03425	0.3
125.02341	0.6
133.04285	0.3
137.02336	0.3
161.04428	0.6
163.11205	0.4
167.14322	0.7
171.10167	0.3
181.12297	0.4
183.13838	6.9
193.12312	1.7
199.13193	0.3
203.89568	0.3
207.10231	1.1
209.11700	0.8
211.13338	100.0
212.13673	5.5
222.90157	0.2
225.11241	0.9
227.12845	0.7
235.08205	1.9
253.09267	3.2
254.09679	0.3
262.53656	0.3
277.21817	0.4
301.21378	0.3
401.23206	0.3
429.21198	1.2
447.22382	8.5
448.22556	1.0
461.20450	0.3
522.25549	0.3
597.32574	0.3
623.34283	2.2
637.31976	0.4
641.35992	1.2
642.35626	0.5
655.33228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.0
59.01248	7.1
60.89618	0.6
61.98706	2.2
68.05967	0.6
69.03341	1.8
70.08420	3.0
71.01239	4.1
73.02833	0.7
85.02833	1.1
87.00754	0.9
89.02336	2.3
95.04916	1.4
95.58525	0.7
100.72184	0.7
101.02327	3.6
109.06474	0.6
111.08041	8.2
112.08341	0.8
113.02369	1.8
119.03380	0.7
123.08049	0.7
125.02350	1.0
137.09518	0.8
149.09636	0.7
161.04474	2.0
167.10718	6.2
170.68474	0.6
177.12785	2.3
179.10709	2.5
179.14336	3.7
195.13852	13.0
196.14125	1.1
202.56128	0.8
205.12262	8.4
221.11896	0.7
223.13353	86.8
224.13699	4.7
235.08176	4.9
247.20644	2.0
251.97864	0.6
253.09279	10.1
273.18692	1.1
291.19659	100.0
292.19974	9.8
459.22388	9.5
460.22617	1.4
479.31436	1.0
497.33008	1.0
504.82562	0.8
509.27448	1.2
527.28778	7.2
528.29120	1.0
689.38934	0.8
715.40082	1.0
733.42041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03323	0.6
58.02306	0.2
59.01250	5.5
61.98734	0.2
65.66145	0.2
69.03326	2.3
71.01251	4.4
71.04891	0.9
73.02831	0.6
83.01260	0.3
83.04909	0.5
85.02831	1.0
85.06476	0.4
87.00758	0.8
89.02314	2.5
95.01256	0.2
95.04910	0.6
97.02811	0.3
99.00763	0.6
101.02328	2.9
103.19469	0.2
109.06469	0.5
111.08041	0.5
113.02349	1.9
113.09561	0.3
119.03413	0.8
123.08059	0.4
125.02341	0.6
125.09619	0.4
135.11668	0.7
141.09135	0.4
143.03394	0.4
149.09628	0.7
161.04449	1.6
161.13235	0.7
167.10703	3.2
168.11018	0.3
177.12772	0.8
179.05493	0.6
179.10794	1.3
179.14360	4.0
192.22708	0.3
195.13840	16.4
196.14258	0.9
205.12291	9.5
205.15730	0.3
205.50101	0.3
206.12607	0.7
211.13326	0.7
223.13353	100.0
224.13708	7.2
225.14926	0.8
227.90448	0.3
228.13753	0.5
235.08185	3.4
239.12764	0.3
253.09262	16.7
254.09712	0.9
256.13120	0.9
275.20154	4.8
276.20389	0.4
293.21222	80.1
294.21585	7.2
425.98175	0.3
441.21277	0.5
459.22357	10.9
460.22708	1.4
492.22287	0.4
499.34186	0.6
529.30042	1.1
547.35541	0.3
735.42841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.3
55.19901	0.2
57.03326	1.0
59.01249	5.0
61.98701	0.4
69.03320	2.4
71.01259	4.0
71.04903	1.0
73.02835	0.4
80.09622	0.2
81.03342	0.3
81.11368	0.2
83.01267	0.6
83.04917	0.5
85.02826	1.1
85.06460	0.5
87.00766	0.7
89.02321	2.2
93.03342	0.3
95.01272	0.4
95.04887	0.7
101.02328	3.3
109.06486	0.7
111.08030	0.5
113.02328	2.0
119.03412	0.5
125.02369	0.5
125.09608	0.4
135.11674	0.4
141.09102	0.4
143.03328	0.3
145.04987	0.3
147.87024	0.2
149.09683	0.6
159.79535	0.3
161.04445	1.5
161.13223	0.3
167.10689	3.6
171.10159	0.3
177.12787	0.9
177.81528	0.2
179.05540	0.6
179.10706	1.2
179.14330	3.9
183.13857	0.3
195.13838	16.7
196.14287	1.1
205.12280	9.8
205.15990	0.3
206.12640	0.7
211.13333	0.6
221.11630	0.3
223.13350	100.0
224.13658	6.5
225.14912	1.0
228.13548	0.5
229.66081	0.3
231.21114	0.6
235.08221	3.6
253.09268	16.8
254.09598	0.6
256.13177	1.1
265.21643	0.3
275.20187	4.8
276.20432	0.4
283.54391	0.3
293.21222	84.0
294.21545	7.8
294.24777	0.5
356.48108	0.3
441.21362	0.4
459.22382	10.3
460.22705	1.2
492.21762	0.4
499.34253	0.9
529.30334	1.2
735.43048	1.2
736.43213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4325
Annotation	Nonactin
Peak:m/z	Relative Intensity
57.03327	0.9
59.01245	8.3
61.98695	2.4
66.11051	1.2
66.27885	1.1
66.28288	0.9
71.01243	5.2
71.52143	1.2
85.02805	2.0
89.02314	3.7
96.44316	1.0
101.02328	3.5
103.34300	0.8
113.02348	1.6
137.06099	0.9
158.94415	1.0
161.04434	1.2
177.12788	12.1
179.75404	0.9
194.37216	1.0
195.13834	100.0
196.14200	4.1
219.77232	1.0
221.11850	6.6
225.07568	1.0
235.08269	2.7
239.12910	10.3
253.09258	5.2
265.39117	1.0
277.21710	33.1
278.21967	3.7
457.20865	2.7
475.21951	8.7
532.56866	1.0
735.43292	81.9
736.43451	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	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50623	0.1
59.01252	0.3
61.98701	100.0
62.98400	0.2
66.90045	0.1
67.16042	0.1
67.46304	0.1
68.09114	0.1
71.01266	0.2
71.52351	0.2
74.74854	0.1
89.47450	0.1
101.02357	0.2
109.06493	0.2
124.16510	0.1
124.44456	0.1
125.02346	0.3
152.63452	0.2
163.11194	0.3
165.12712	0.2
171.10191	0.2
207.10243	0.5
209.11772	2.3
211.13329	1.0
225.11246	0.4
227.13016	0.2
229.14037	0.1
251.25320	0.1
253.09361	0.5
289.18185	0.2
291.19669	1.3
293.21170	0.7
334.80450	0.1
511.10233	0.2
542.72180	0.1
590.07050	0.1
737.41711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.98703	100.0
62.25241	0.1
62.98398	0.2
70.79647	0.2
71.01266	0.7
73.02813	0.1
85.02836	0.1
87.00741	0.2
89.02331	0.5
90.09525	0.1
97.02882	0.1
101.02327	0.4
105.88459	0.1
109.02825	0.1
109.06491	0.2
111.04429	0.1
113.02361	0.3
118.63625	0.1
119.03394	0.2
123.04269	0.1
124.04029	0.1
125.02354	0.4
133.02863	0.1
139.03265	0.1
149.27177	0.1
153.10600	0.1
161.04509	0.1
163.11208	0.2
163.94188	0.1
171.10222	0.2
175.62183	0.1
179.05589	0.1
181.12250	0.1
183.13858	0.2
193.12314	0.1
195.13872	0.2
207.10164	0.4
209.11723	0.6
211.13338	3.5
225.11288	1.2
227.12985	0.1
235.08241	0.3
253.09222	0.6
277.21680	0.7
278.22101	0.6
289.07266	0.1
289.18094	2.4
289.21057	0.1
291.19708	0.4
293.21201	0.8
307.19391	0.2
309.20709	0.1
397.13580	0.9
398.13959	0.6
415.14807	0.3
416.15289	0.2
417.15115	0.1
447.22745	0.1
461.20560	0.3
737.28650	0.1
737.40930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38623	0.1
57.49106	0.1
59.01252	1.3
61.98704	100.0
66.07238	0.1
70.73029	0.4
71.01257	1.0
73.77032	0.1
78.95784	1.3
80.96381	0.1
81.00470	0.1
83.04871	0.1
85.02850	0.3
89.02338	0.6
95.04956	0.2
97.02847	0.2
101.02342	0.6
109.06490	0.6
110.98419	0.2
111.08031	0.2
113.02348	0.3
119.03446	0.3
125.02366	0.4
125.09638	0.1
140.94464	0.1
143.03423	0.2
151.03928	0.3
152.99493	1.9
155.10588	0.2
161.02342	0.2
161.04497	0.4
163.11229	0.4
167.03456	0.2
171.10229	0.6
172.10614	0.1
179.05466	0.1
183.13928	0.4
185.11780	0.2
196.53627	0.1
206.29465	0.1
207.10237	1.0
209.11775	1.2
211.13344	7.2
212.13589	0.2
225.11308	2.7
227.12869	0.3
233.00246	0.1
235.08279	0.4
245.19066	0.3
253.09280	1.2
255.23309	1.1
256.23700	0.5
267.03403	0.1
277.21707	3.5
278.22067	0.9
279.23291	5.4
280.23657	0.4
289.18097	4.9
291.19788	0.7
293.21329	1.0
307.19388	0.5
309.20880	0.4
329.23206	0.2
336.30243	0.2
360.28943	0.1
397.13431	0.7
398.14020	0.6
415.14957	0.2
416.15170	0.3
443.19400	0.2
447.22372	0.3
461.20569	0.6
469.99380	0.2
483.31699	0.2
525.27258	0.3
534.46246	0.2
612.16223	0.2
737.28607	0.2
737.41595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95858	0.3
57.03329	2.9
59.01259	1.1
63.02266	0.7
65.00213	0.7
69.22229	3.2
73.52032	0.3
75.85179	0.4
83.01263	0.5
90.32028	0.3
92.11451	0.3
98.20580	0.8
99.91582	0.3
100.81979	0.3
101.02322	0.6
107.01252	1.7
125.02309	0.5
131.80766	0.4
132.02106	1.4
135.00806	1.0
143.04921	0.3
150.03119	0.4
151.00284	2.4
159.04402	0.4
163.00264	0.9
164.01097	0.6
171.04402	0.5
175.01791	0.3
178.99828	0.9
183.04456	0.6
187.03958	0.6
191.05528	0.7
199.03996	0.8
211.03964	1.5
212.04622	0.4
213.05588	0.7
227.03462	42.5
228.03819	3.2
229.05025	1.6
239.03410	0.9
255.02982	86.9
256.03497	9.3
257.04526	1.4
281.04739	0.5
283.02377	2.0
284.03275	100.0
285.03864	15.6
286.04346	0.5
309.04013	0.5
327.05307	0.4
346.58795	0.4
396.16711	0.4
593.05164	0.7
593.15106	41.1
594.15442	6.2
635.16174	45.5
636.16608	6.9
675.19250	17.8
676.19702	3.0
677.16992	0.9
737.19275	7.9
738.19775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.6
61.98705	100.0
65.06660	2.2
68.21858	2.3
71.01253	5.4
71.52025	2.0
76.79636	2.3
78.95772	4.2
82.44360	2.0
89.02322	3.6
94.11068	2.4
96.95889	4.8
101.02365	5.5
113.02356	3.1
117.80250	2.1
123.04445	5.0
125.02348	11.4
137.02295	2.9
151.03934	4.7
153.95996	2.3
165.01816	3.9
173.04468	3.2
189.46915	2.2
197.11771	8.9
207.10208	11.3
209.11743	36.9
210.12119	2.9
211.13312	11.2
223.13342	9.8
225.11327	3.5
225.39070	2.7
227.12813	3.1
235.08289	3.4
253.09273	6.9
279.23380	5.3
289.07220	6.2
289.18292	4.2
290.18509	2.4
291.19727	8.7
293.21201	6.4
309.20703	5.5
419.28131	2.6
705.87891	3.0
737.34656	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	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	0.9
59.01249	7.0
61.61312	0.8
61.98701	12.4
69.03308	4.3
71.01250	7.4
71.04887	1.2
71.40511	1.1
73.02827	1.2
83.04897	1.3
85.02816	1.8
87.00742	1.5
89.02309	2.4
93.64337	0.8
97.02822	0.8
97.06459	1.3
101.02319	4.7
113.02323	2.2
123.08073	1.3
125.09600	2.4
151.11275	3.8
153.12752	1.4
161.04404	1.6
161.09621	3.3
169.12256	2.6
171.10265	1.0
179.10701	7.8
197.11761	47.5
198.12054	2.5
205.08549	0.8
207.10162	2.2
209.11751	0.9
211.13354	2.3
223.09671	2.4
225.11485	1.0
240.17268	0.9
241.10858	2.7
253.09296	4.2
273.05981	0.8
273.57111	0.8
275.20270	1.0
277.21716	57.5
278.22034	6.6
289.18246	1.0
291.19504	0.8
293.21176	2.4
323.50345	0.9
399.77591	0.8
425.92810	0.8
459.18643	1.0
719.40161	1.0
737.41168	100.0
738.41486	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	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03325	0.7
59.01250	6.5
61.98700	4.8
63.59439	0.5
65.34760	0.5
69.03325	4.0
70.08092	1.4
70.08504	1.3
71.01254	6.9
71.04899	2.3
73.02828	1.0
83.01269	1.1
83.04910	0.7
85.02845	1.7
87.00748	1.2
89.02322	3.3
95.01234	0.7
95.04884	0.6
97.02831	1.4
97.06470	0.8
98.20594	1.0
99.00753	0.7
101.02321	4.0
111.08087	0.5
113.02338	2.3
119.03397	1.5
123.08028	1.2
125.02308	0.6
125.09628	1.7
149.43904	0.5
151.11209	3.1
153.12784	2.1
161.04482	1.4
161.08498	0.6
161.09602	3.7
169.12357	1.1
171.10149	0.6
179.10678	7.9
180.11021	0.6
197.11777	91.9
198.12093	4.8
205.08673	1.9
207.10139	2.5
209.11836	1.0
211.13315	0.8
223.09734	3.1
225.11243	1.4
235.08182	0.9
241.10793	4.8
253.09308	4.7
255.22873	0.6
277.21732	32.4
278.21988	3.7
279.23129	0.8
293.21362	1.3
358.06851	0.7
433.20856	0.6
459.18768	1.6
477.19724	3.1
621.78760	0.7
719.40509	1.2
720.40930	0.7
737.41162	100.0
738.41418	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	738.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09423	0.1
59.01242	0.2
59.46903	0.1
61.98704	100.0
62.98397	0.2
65.62325	0.1
70.52867	0.3
71.01259	0.1
81.97994	0.1
85.29315	0.1
89.02329	0.1
98.20406	0.1
101.02339	0.1
103.42118	0.1
125.02399	0.1
138.69749	0.1
151.39821	0.1
178.07324	0.1
182.34357	0.1
209.11787	0.3
211.13496	0.2
219.55013	0.1
227.12871	0.2
253.09349	0.1
277.21579	0.1
278.22021	0.1
293.21301	0.3
397.13794	0.1
399.14450	0.2
609.70447	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	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78611	0.1
59.01245	0.6
61.98701	100.0
62.98405	0.2
65.10387	0.1
71.01254	0.3
71.32008	0.1
71.32339	0.2
78.03765	0.1
83.04919	0.2
89.02343	0.2
91.57187	0.1
97.02864	0.2
101.02342	0.3
108.09026	0.1
111.07986	0.1
113.02337	0.2
125.02362	0.3
137.09714	0.1
137.72113	0.1
144.68369	0.1
161.04489	0.1
163.11259	0.2
165.12701	0.1
171.10175	0.1
177.01953	0.2
183.13766	0.1
195.13951	0.3
197.11815	0.1
199.13324	0.2
209.11774	6.0
211.13344	1.8
227.12828	1.2
235.08154	0.3
253.09262	1.1
275.20200	0.1
277.21793	0.2
278.22089	0.2
289.18164	0.2
290.18362	0.1
291.19714	0.4
293.21222	2.9
293.64645	0.1
309.20752	0.8
359.35196	0.1
384.21747	0.1
385.67392	0.1
400.14276	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	738.5083
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
53.14997	17.8
55.91801	19.4
56.69563	20.9
73.34680	17.6
78.95763	26.3
190.39734	20.7
234.33206	25.3
263.11755	23.7
279.23264	100.0
381.55594	24.2
653.25140	23.3
738.50372	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	4.0
59.01250	2.7
60.99154	1.6
67.01751	4.7
69.03333	2.3
69.74133	8.2
71.01257	3.5
72.99179	8.4
80.82935	1.4
81.59894	1.4
85.02825	20.6
87.00742	3.6
93.02767	2.8
93.03336	34.1
95.01244	1.7
95.04882	2.7
99.04386	1.5
105.03346	2.5
107.18434	1.7
109.02834	5.2
111.04380	7.5
121.02855	9.9
123.00763	2.6
123.04386	8.0
124.01514	2.6
125.02358	1.8
133.02821	4.5
135.04431	12.0
137.02345	19.3
139.03885	8.7
147.02902	1.6
149.02367	15.5
151.03938	4.4
155.03391	3.2
161.02248	1.9
167.03371	7.9
173.04465	100.0
174.04825	2.2
177.01852	5.6
179.03395	7.5
191.01929	10.6
191.05536	41.4
193.01373	20.4
195.02827	3.9
205.03278	1.7
211.02394	8.4
223.04523	2.2
241.78976	1.6
247.04625	2.8
351.07175	1.9
352.07947	2.5
353.08774	10.8
369.08124	4.0
385.07718	21.4
701.86163	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2098
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.01246	2.6
61.95751	0.5
63.02253	0.9
63.54625	0.5
64.13014	0.4
65.00206	0.5
69.46525	3.7
83.01278	1.4
85.88145	0.5
93.03326	1.0
96.95892	0.9
98.20594	0.5
107.01273	2.3
125.02335	0.9
132.02083	1.3
135.00748	0.9
135.04453	0.5
151.00279	3.5
152.00987	0.5
159.04391	0.8
162.03204	0.5
163.00302	1.1
164.01053	0.8
169.01320	1.0
173.04491	1.0
178.99797	2.2
179.03362	0.9
183.04440	1.1
191.05556	1.3
195.04482	0.5
199.04062	1.2
201.35519	0.5
206.26608	0.5
211.03925	2.4
213.05603	0.5
227.03447	40.9
228.03827	2.7
229.05051	2.4
232.45435	0.5
239.03448	0.9
255.02968	78.6
256.03467	9.8
257.04446	1.8
271.02359	0.5
283.02341	2.4
284.03256	100.0
285.03879	17.5
286.04297	0.8
326.04178	0.6
327.04968	0.9
369.09900	0.8
484.17868	0.7
575.13910	1.2
609.14075	0.7
739.20923	76.1
740.21204	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	739.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42712	0.2
54.14444	0.3
55.01754	0.3
56.23735	0.3
57.03318	0.4
59.01257	5.2
61.98692	0.8
63.23424	0.2
69.26660	2.6
71.01255	2.1
73.02812	0.9
80.54536	0.2
81.03345	0.7
83.01261	0.8
85.02824	0.9
87.00759	0.5
89.02325	0.9
91.00110	0.2
93.03342	1.4
95.01280	0.4
97.02820	0.4
99.00729	0.3
101.02322	1.2
108.02068	0.7
109.02842	0.9
113.02318	0.6
118.98011	0.3
119.03400	0.3
121.02856	1.1
122.03634	5.4
125.02336	1.2
135.04398	1.0
136.05171	0.4
137.02327	1.2
149.02370	0.6
151.03896	0.9
153.01912	0.6
155.10686	1.1
158.07320	0.4
161.02464	0.7
173.04480	2.4
175.03900	0.4
177.01843	0.4
179.03458	0.5
184.08798	0.5
185.06070	0.3
186.06831	0.6
191.05502	1.5
199.09641	0.7
201.09172	2.2
227.07095	13.5
228.07637	2.2
243.10245	100.0
244.10571	8.4
267.10324	1.5
285.11386	0.9
289.07147	0.4
297.11484	0.3
369.13531	0.8
374.48065	0.3
387.14520	10.0
388.14816	1.0
405.15570	1.0
406.15829	0.4
417.56308	0.3
423.10403	0.3
429.15546	3.2
430.16031	0.5
447.16589	5.7
448.17001	1.0
489.17703	1.2
521.17792	0.3
535.30920	0.6
577.21527	0.9
577.31940	0.3
679.35620	0.4
695.31274	0.4
697.36267	0.4
739.22943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48801	0.4
56.55032	0.3
57.03321	0.7
59.01249	6.2
61.49321	0.3
61.98704	19.6
69.03319	0.7
70.54116	0.4
70.54461	0.9
71.01252	5.4
71.04893	0.4
71.34518	0.4
72.05779	0.4
73.02811	0.9
77.24372	0.4
80.02540	0.7
81.03320	1.3
83.01286	0.5
83.04900	4.4
84.02039	0.4
85.02827	1.0
85.81183	0.3
87.00760	0.8
89.02314	3.3
90.34640	0.3
95.01243	0.7
95.04913	0.8
97.02841	0.7
101.02323	4.2
107.81682	0.3
109.06478	0.6
111.08032	1.0
112.61175	0.3
113.02332	1.8
119.03384	0.9
125.02349	1.5
125.05981	0.6
125.09660	0.4
133.02719	0.3
137.02362	0.7
161.04462	2.1
163.11195	3.5
165.12781	2.8
167.03394	0.4
167.10693	0.4
167.14236	0.6
169.12216	0.4
171.10207	0.8
177.01917	0.6
179.05563	0.6
179.14433	0.4
181.12250	1.1
183.13777	2.3
191.10730	1.2
193.12248	0.6
195.13818	6.3
197.11731	3.6
199.13313	1.9
203.07210	0.4
205.12190	0.5
209.11768	100.0
210.12112	5.5
211.13332	41.1
212.13762	2.1
221.15410	0.7
223.13310	4.3
227.12856	13.3
228.13336	1.0
235.08215	3.7
247.20869	0.4
253.09265	18.7
254.09541	0.9
256.13153	0.7
266.21646	0.3
273.18399	0.5
275.20117	4.9
277.21771	0.7
289.07068	0.5
291.19666	6.9
292.20084	0.7
293.21219	60.6
294.21573	5.8
309.20706	17.3
309.24310	0.8
310.21149	1.7
320.86652	0.3
445.20569	1.0
447.22235	1.8
463.21631	0.5
485.32349	0.4
503.33774	0.7
529.30121	0.5
739.42096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
59.01254	9.4
60.28655	0.9
61.98691	1.5
69.59518	4.9
71.01251	8.3
71.04881	2.9
73.02802	2.4
78.95770	0.8
83.04896	1.1
85.02816	1.7
87.00723	1.7
89.02309	3.3
90.88937	0.9
97.02832	4.5
97.06432	1.8
99.00751	13.6
101.02329	5.1
109.06452	2.6
110.03606	1.3
113.02323	1.3
119.03334	1.0
123.08029	1.6
125.09608	6.5
127.11178	1.2
132.04997	0.7
135.08032	1.4
143.03401	1.0
161.04477	1.3
161.09544	0.8
163.11169	6.7
171.10181	19.7
171.19527	0.8
172.10512	1.6
181.12244	12.8
197.11810	2.1
199.13321	13.3
201.11217	3.5
207.10199	27.7
208.10538	1.7
209.11771	1.9
211.13341	4.0
215.12889	1.1
225.11278	53.5
226.11554	3.6
227.12794	1.9
235.08162	3.7
243.12376	6.8
253.09271	7.9
275.20187	1.4
277.21716	88.6
278.22067	8.8
285.43506	0.9
291.19589	2.7
293.21185	5.4
443.19006	2.4
461.20245	7.1
479.21042	1.4
612.79504	0.8
644.82422	0.8
662.21722	0.9
699.71423	0.8
721.41644	7.1
722.42010	0.9
739.42706	100.0
740.42902	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56485	0.7
57.03307	1.4
58.00457	0.7
59.01252	7.7
59.52253	0.5
61.98705	5.5
63.74229	0.6
65.25485	0.6
65.70877	0.5
69.03343	1.0
69.17041	4.5
69.17446	1.4
71.01253	8.0
71.04881	2.1
73.02823	1.6
83.01288	1.1
83.04877	0.8
85.02824	2.9
87.00735	1.1
89.02309	4.5
95.01251	0.9
95.04916	0.9
96.95870	1.5
97.02819	4.2
97.06450	2.2
99.00761	13.6
99.04282	0.6
101.02334	5.2
101.92112	0.5
103.05902	0.6
106.04084	0.6
109.06482	1.8
110.03605	1.4
111.04392	0.5
113.02316	2.4
119.03344	0.9
125.02354	1.1
125.09589	5.0
127.11198	1.0
135.08057	0.7
142.02579	1.2
161.04469	1.4
161.09642	0.7
163.11189	8.7
171.10178	20.6
172.10481	0.9
179.05589	1.4
179.10704	0.9
181.12274	16.5
183.10193	0.7
197.11726	2.1
199.13339	25.1
200.13593	0.9
201.11235	2.6
207.10201	35.2
208.10533	1.7
209.11761	1.2
211.13292	2.6
225.11278	69.3
226.11571	4.7
227.12865	1.6
235.08163	3.0
243.12344	15.4
244.12723	0.9
252.94334	0.7
253.09261	6.1
275.20102	0.7
277.21716	61.8
278.22107	5.5
293.21240	2.3
309.20648	0.7
313.09698	0.6
317.16077	0.8
443.18918	1.2
461.20349	11.1
462.20755	0.8
463.21762	0.7
479.21204	2.9
719.19037	0.6
721.41522	4.5
722.41528	0.7
739.42725	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	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
55.05684	0.7
56.57558	0.8
57.03309	1.6
58.00466	1.2
59.00997	0.9
59.01247	10.7
61.98701	15.3
69.03327	0.8
70.86032	1.5
70.86366	0.8
71.01251	20.8
71.04892	4.9
72.01527	0.7
72.99155	1.1
73.02803	3.0
73.42252	0.6
81.03351	1.0
83.01266	1.3
83.04884	1.6
85.02806	2.5
87.00753	2.8
89.02316	4.5
95.04894	1.3
96.95892	3.7
97.02840	4.4
97.06461	3.8
99.00759	20.1
101.02335	7.7
109.06463	3.1
110.03588	1.0
111.73344	0.8
112.49196	0.7
113.02309	3.4
119.03376	1.4
123.08073	2.3
125.02345	1.0
125.09618	8.4
127.11173	1.2
135.08069	1.6
136.05180	1.1
145.05017	1.3
161.04391	2.1
161.09607	0.9
163.11195	14.9
166.89778	0.9
167.10672	0.8
169.12233	1.3
171.10181	33.3
172.10513	1.8
181.12262	21.5
182.12531	1.2
183.13805	1.0
185.11731	2.0
189.09227	1.2
191.73201	0.8
195.13824	1.4
197.11726	2.6
199.13321	13.2
200.13678	1.3
201.11292	6.1
207.10208	26.6
208.10492	2.0
209.11780	3.5
211.13332	9.8
225.11270	50.6
226.11577	2.5
227.12816	10.2
235.08148	4.8
243.12320	15.2
253.09312	11.7
275.20175	1.5
277.21716	77.4
278.22040	8.9
281.24869	3.4
291.19675	4.6
293.18402	1.2
293.21262	11.2
294.21661	1.1
309.20767	1.1
397.13397	2.6
415.14539	1.6
420.93829	0.9
443.19006	1.7
461.20380	8.3
462.20355	1.3
463.21881	1.9
479.21198	4.1
692.57318	0.8
721.41589	2.2
739.42706	100.0
740.43042	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	740.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.7
61.98705	100.0
62.98406	0.2
69.31789	0.6
69.32211	0.5
71.01266	0.2
76.39504	0.1
78.01676	0.1
82.49754	0.1
83.04912	0.3
89.02318	0.2
96.38064	0.1
98.02344	0.1
113.02263	0.1
165.20808	0.1
191.05486	0.2
225.66975	0.1
245.14029	0.1
245.42569	0.1
300.02847	0.2
315.05179	0.2
678.50714	0.4
679.50348	0.9
680.50580	1.7
740.49469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81736	3.8
59.01244	19.4
63.02295	3.8
65.00193	18.2
67.01772	5.6
69.50095	28.0
71.01257	10.1
73.30260	3.5
83.01248	10.7
85.02816	6.1
86.61974	3.8
87.00761	6.6
89.02360	4.6
95.01254	8.5
95.27637	3.8
96.99197	5.1
101.02320	7.8
107.01279	13.5
109.02805	6.2
109.99972	9.4
111.00769	37.6
113.02382	4.5
116.92755	4.5
121.02850	4.4
121.59195	3.4
123.00762	11.8
124.01559	5.9
125.02338	5.4
135.00771	4.7
136.98703	7.3
137.99519	7.5
139.00270	44.9
147.00819	5.9
148.01564	5.1
149.02324	5.3
149.99413	4.6
151.00267	52.5
152.00984	9.4
154.99734	11.9
159.04408	10.2
161.02357	3.6
162.03123	4.3
162.58949	3.5
163.00276	11.5
163.03896	6.2
164.01038	5.7
164.98186	10.8
165.01949	4.3
165.95580	3.2
165.98979	12.2
166.99776	9.9
169.01340	6.4
170.03703	3.7
173.02357	5.1
174.03091	7.2
175.00247	18.5
175.03952	6.4
177.01897	8.5
177.99109	3.4
178.18658	3.9
178.99763	43.7
180.00407	5.2
183.46007	3.6
186.03168	4.8
187.03891	11.6
189.01804	6.7
190.99773	11.9
191.03505	6.4
192.00671	6.1
193.01418	4.3
194.99310	7.9
197.02600	3.4
199.04019	4.5
201.01874	4.9
202.02631	12.4
203.03415	15.7
205.01396	5.1
206.99196	6.1
213.01912	8.0
214.02649	14.3
215.03418	10.4
216.04164	4.0
217.01384	7.0
218.02284	3.5
219.03140	3.9
227.03442	5.3
229.01436	6.6
230.02208	8.4
231.02977	9.8
232.03720	11.3
241.01311	6.0
242.02203	12.3
243.03049	20.9
245.00897	8.4
247.06166	7.0
255.02924	11.2
257.00970	8.8
257.04404	7.4
258.01691	12.9
259.02441	30.8
261.03931	5.9
269.00998	4.1
270.01743	15.4
271.02469	40.1
272.02896	7.4
274.01184	4.3
275.01956	5.7
283.02609	3.8
285.04080	16.3
286.01184	21.9
286.03928	3.8
287.01944	26.5
288.02554	8.1
290.04376	9.1
297.00406	5.8
299.02066	22.9
300.02774	53.4
301.03583	17.3
302.00732	7.5
302.04153	8.8
303.01404	49.0
303.05066	19.1
304.01392	4.4
314.00671	13.9
314.03922	4.5
315.01340	10.0
315.05060	15.4
316.02216	4.9
317.02878	6.6
318.03781	19.3
329.02972	83.9
330.03476	8.5
331.00925	14.3
331.04581	11.6
342.93320	4.1
346.03259	34.0
347.03745	9.9
369.93732	4.4
387.46704	4.1
429.37955	4.5
482.78549	4.2
555.16895	6.5
557.15167	8.9
563.51166	4.6
569.32361	4.0
597.17841	6.2
651.16071	7.6
653.17401	8.0
655.16901	5.0
665.14380	8.3
669.17065	11.8
679.14594	8.6
681.36475	7.0
697.16156	100.0
698.16675	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
59.01246	2.4
61.98682	0.9
69.43465	3.1
71.01241	1.1
73.02791	1.0
75.21587	0.4
87.00742	0.9
96.95887	1.1
99.04388	0.8
101.02301	0.6
111.04425	0.6
111.08054	0.6
113.02292	0.4
121.06504	2.1
122.03596	1.2
123.04375	0.4
125.02278	0.7
125.63154	0.3
135.04425	3.7
136.05199	49.6
137.05634	1.8
147.08041	1.7
148.05193	1.5
149.04848	0.7
149.05980	9.2
150.06796	3.9
151.07532	0.6
153.09032	0.9
157.08571	0.9
162.06784	3.4
163.07469	1.7
164.08345	6.6
165.09120	22.7
166.09464	1.0
169.12213	0.7
179.07025	0.8
224.70169	0.4
263.20273	0.7
279.23016	0.4
281.21191	1.8
283.18982	0.6
325.23938	0.6
327.21771	6.2
328.22055	0.8
414.27853	0.8
429.30106	1.5
430.30713	0.8
431.32114	0.5
432.28738	5.3
433.29248	0.6
446.30429	1.5
447.31128	15.5
448.31598	2.6
474.29816	1.1
475.30640	3.4
492.30917	2.8
493.31696	22.5
494.32147	3.9
505.25778	0.5
545.91492	0.5
625.74054	0.6
655.36829	1.8
697.38000	100.0
698.38324	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.7
57.04142	1.4
59.01256	8.3
61.98708	10.4
69.03331	1.4
70.01079	6.9
71.01250	7.7
73.02808	1.9
83.04874	3.3
85.02823	1.8
87.00744	2.7
89.02304	4.4
97.02819	2.5
97.06459	5.0
101.02312	6.4
109.30252	1.4
111.07999	4.6
113.02311	3.3
116.92729	1.3
125.02354	2.0
133.10115	1.5
149.49797	1.5
151.11194	19.0
152.99365	1.9
156.89497	1.7
158.26016	1.3
161.04414	3.1
163.11157	1.5
169.12262	68.2
169.53772	1.6
170.12613	2.6
171.10139	3.9
183.13768	2.1
185.11719	3.0
193.23593	1.7
195.10153	2.1
195.13806	2.3
197.11751	24.0
199.13367	3.5
209.11740	12.8
210.12059	3.1
211.13390	10.2
212.13766	4.0
213.11253	10.3
213.14807	1.8
227.12834	7.4
228.13284	4.0
235.08061	2.3
253.09328	7.3
254.09225	1.5
277.21667	6.7
291.19562	9.6
293.21155	5.2
294.21545	3.6
295.22333	5.7
309.20654	12.8
310.21002	2.5
362.71756	1.6
431.19180	4.3
449.20233	5.4
450.20813	2.4
453.00668	1.9
505.25653	4.2
506.40292	1.8
741.40607	100.0
742.41095	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	741.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	4.5
61.66932	0.8
61.98700	1.9
71.01253	4.9
78.95743	1.0
79.84864	0.9
83.04885	3.5
85.02818	1.4
87.00764	1.2
88.94909	0.9
89.02322	2.1
95.01224	0.8
98.19760	2.0
101.02332	3.4
113.02305	3.5
125.09588	2.2
127.11163	1.4
155.10666	1.1
161.04453	2.5
163.11157	2.7
165.12775	2.0
171.10162	3.9
201.11252	42.1
202.11507	1.7
209.11769	88.8
210.12125	5.9
227.11176	0.8
227.12901	9.4
228.13310	1.1
235.08118	5.6
245.13821	1.1
253.09271	16.3
277.21716	100.0
278.22089	11.0
279.22192	1.1
331.53030	1.0
437.20129	1.7
505.25653	2.6
741.46570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09270	1.5
59.01252	4.5
60.25655	1.4
63.11617	1.2
64.21101	1.3
70.57240	4.7
78.95769	29.0
90.10986	1.4
93.17316	1.3
96.96830	1.7
100.57838	1.4
116.28102	1.7
119.93597	1.4
122.56060	1.4
144.92018	1.4
152.99493	36.2
171.00568	3.0
227.03271	4.8
253.21700	28.8
254.21973	1.8
275.19821	1.7
277.21710	71.2
278.22049	6.6
279.23334	4.4
280.23499	1.8
281.24838	9.7
413.20746	1.9
459.44849	1.5
483.27069	1.8
505.25735	100.0
506.25974	16.1
628.54474	1.8
647.60004	1.5
741.46783	24.0
742.46735	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	743.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40696	0.3
55.01748	0.7
57.03321	0.7
58.00465	0.4
59.01251	100.0
60.01585	0.9
69.83196	1.7
71.01255	10.1
72.99172	0.3
73.02824	3.6
75.00749	0.4
75.01857	0.3
83.01265	2.1
85.02824	5.2
89.02319	1.9
95.01268	1.0
99.00755	1.5
101.02324	7.7
107.04958	0.4
113.02327	3.9
119.03398	0.4
121.02830	0.7
125.02352	0.4
128.30139	0.3
135.04411	0.4
138.01889	0.9
138.74953	0.4
143.03389	0.7
159.02957	0.8
161.04474	3.7
190.97556	0.4
225.14935	0.7
269.10269	10.2
270.10724	0.8
311.11325	6.8
312.11652	0.4
355.10294	0.4
387.20248	10.9
387.25058	0.6
388.20740	1.2
554.88013	0.3
729.84955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.9
59.01257	2.3
69.03329	0.6
70.55647	1.2
71.01256	1.1
73.02814	0.6
85.02807	1.1
87.00734	0.6
88.52039	0.4
97.11687	0.4
98.20460	0.5
99.04404	0.7
101.02307	0.4
107.04882	0.4
109.02892	0.3
109.06471	0.5
111.04426	0.5
113.34676	0.4
121.06483	2.1
122.03619	1.4
123.04441	0.4
127.11250	0.6
131.33180	0.4
134.03702	0.4
135.04402	4.4
136.05197	52.6
137.05589	2.1
137.09694	0.5
137.79433	0.4
139.11093	0.4
147.08055	1.4
148.05153	0.8
149.05972	11.1
150.06783	5.1
151.07474	0.8
155.10693	1.0
162.06754	3.7
163.07549	2.0
164.08324	7.0
165.09114	24.6
166.09503	1.1
179.06992	0.7
255.43062	0.4
265.21722	1.1
283.22812	0.8
311.22430	0.4
327.25375	0.5
329.23288	10.1
416.29227	1.0
418.55914	0.4
431.31689	2.5
432.32239	0.9
433.33163	0.7
434.30307	5.5
435.30731	0.6
448.32013	2.0
449.32706	19.2
450.32892	3.4
476.31461	2.6
477.32199	3.7
494.32291	3.2
495.33255	30.2
496.33548	4.1
657.38281	1.9
699.39545	100.0
700.39856	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
58.74636	0.2
59.01245	2.5
61.98703	0.5
69.03339	0.3
70.50165	0.9
70.50504	0.2
71.01264	0.7
73.02828	0.6
77.06659	0.3
83.04910	0.4
85.02837	0.4
87.00773	0.6
89.02315	0.3
98.84531	0.3
99.04398	0.8
101.02383	0.5
109.02842	0.3
111.04393	0.6
111.08033	0.4
113.02303	0.3
117.15176	0.2
121.06484	1.6
122.03625	1.3
123.04399	0.5
125.02332	0.7
127.11174	0.4
135.04416	2.8
136.05202	40.8
137.05682	1.1
137.09634	0.4
147.08075	1.2
148.05211	0.9
149.05997	8.0
150.06772	3.8
151.07483	0.4
155.10651	0.8
162.06766	3.6
163.07570	1.8
164.08345	5.0
165.09129	18.9
166.09477	0.6
179.07118	0.6
199.09746	0.3
265.21573	0.7
275.98865	0.3
283.22800	0.8
311.22424	0.4
327.25394	0.3
329.23334	7.1
330.23645	0.6
416.29300	0.7
418.31226	0.3
431.31750	1.7
432.32092	0.5
433.33017	0.6
434.30319	3.5
435.30850	0.6
448.31720	1.6
449.32712	15.5
450.32971	2.2
459.31570	0.4
476.31442	1.6
477.32187	3.6
478.32266	0.3
494.32550	2.6
495.33282	22.0
496.33548	3.1
572.31976	0.3
639.37115	0.4
657.38208	1.6
658.38525	0.4
681.38141	0.4
699.39581	100.0
700.39893	19.2
717.01324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85738	88.7
74.42483	31.4
78.95788	100.0
148.01212	36.0
152.64737	35.5
166.59224	36.1
168.85727	41.3
218.60394	38.7
277.21771	83.2
281.24814	43.7
297.64352	37.7
299.84033	37.1
302.32806	33.0
743.43188	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	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89211	1.2
57.03312	2.3
59.01254	17.2
61.98690	3.5
62.30476	0.9
66.45968	1.0
69.03326	1.7
69.32801	0.8
70.00943	3.9
70.34727	0.9
71.01253	6.1
72.99172	1.2
73.02816	5.8
83.01244	1.3
85.02804	4.7
85.82298	1.0
89.02295	2.0
96.88843	1.1
96.95892	1.0
99.04399	2.8
101.02326	4.4
109.02859	1.1
113.02286	1.8
121.06490	1.3
123.04414	1.5
125.02325	2.8
135.04411	2.8
135.08090	1.3
136.05209	23.4
137.05952	1.4
137.09534	1.3
149.05997	14.8
150.06770	81.1
151.07245	5.0
155.10696	2.3
160.20801	1.2
161.09532	1.7
162.06743	8.2
163.07568	17.4
164.08347	11.1
165.09148	8.5
173.04507	1.8
177.09113	11.0
178.09909	4.8
179.07036	1.2
179.10693	32.3
180.10994	2.1
201.11238	1.5
281.24915	1.5
289.21704	13.3
290.22198	1.3
315.19589	3.4
329.23315	4.4
333.20740	19.5
334.21024	2.5
434.30438	1.5
448.31915	1.8
449.32693	6.5
477.36139	6.5
480.34613	15.6
481.35019	2.2
493.35333	2.5
494.36398	18.5
495.37100	100.0
496.37363	17.0
537.26855	6.0
537.37701	4.9
552.35846	1.1
639.41205	12.3
640.41382	4.3
657.40735	2.1
687.79236	1.2
699.39545	42.1
700.40051	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	743.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89211	1.2
57.03312	2.3
59.01254	17.2
61.98690	3.5
62.30476	0.9
66.45968	1.0
69.03326	1.7
69.32801	0.8
70.00943	3.9
70.34727	0.9
71.01253	6.1
72.99172	1.2
73.02816	5.8
83.01244	1.3
85.02804	4.7
85.82298	1.0
89.02295	2.0
96.88843	1.1
96.95892	1.0
99.04399	2.8
101.02326	4.4
109.02859	1.1
113.02286	1.8
121.06490	1.3
123.04414	1.5
125.02325	2.8
135.04411	2.8
135.08090	1.3
136.05209	23.4
137.05952	1.4
137.09534	1.3
149.05997	14.8
150.06770	81.1
151.07245	5.0
155.10696	2.3
160.20801	1.2
161.09532	1.7
162.06743	8.2
163.07568	17.4
164.08347	11.1
165.09148	8.5
173.04507	1.8
177.09113	11.0
178.09909	4.8
179.07036	1.2
179.10693	32.3
180.10994	2.1
201.11238	1.5
281.24915	1.5
289.21704	13.3
290.22198	1.3
315.19589	3.4
329.23315	4.4
333.20740	19.5
334.21024	2.5
434.30438	1.5
448.31915	1.8
449.32693	6.5
477.36139	6.5
480.34613	15.6
481.35019	2.2
493.35333	2.5
494.36398	18.5
495.37100	100.0
496.37363	17.0
537.26855	6.0
537.37701	4.9
552.35846	1.1
639.41205	12.3
640.41382	4.3
657.40735	2.1
687.79236	1.2
699.39545	42.1
700.40051	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	743.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26221	0.4
56.05074	0.5
59.01255	6.1
61.98696	3.4
70.86098	1.3
71.01257	2.1
73.02831	0.8
75.26926	0.5
89.02318	1.1
92.02312	0.5
101.02318	2.6
102.84975	0.5
113.02320	1.1
125.02324	0.5
127.11172	1.2
161.04405	1.0
171.10179	100.0
172.10478	4.8
195.13805	3.0
209.11754	1.1
218.11511	0.5
223.13319	1.9
235.08221	4.9
253.09259	11.5
254.09569	0.8
256.13226	0.6
275.20111	3.9
277.21597	0.5
281.24496	0.5
293.21222	41.6
294.21631	3.8
298.67731	0.5
407.19208	4.1
447.31363	1.0
529.30206	1.1
630.31512	0.6
685.91162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67966	0.5
55.01736	0.9
57.03324	1.2
58.00455	1.0
58.35260	0.4
59.01252	37.4
60.01592	0.6
61.98690	1.9
69.03307	1.5
71.01252	16.3
71.62727	0.5
72.01579	0.5
72.99170	1.0
73.02818	6.4
83.01256	2.3
83.04886	1.0
85.02822	6.0
87.00745	1.8
89.02312	6.8
95.01273	1.2
96.95875	0.6
97.02789	0.6
99.00761	1.2
99.04413	0.9
101.01707	0.8
101.02328	10.9
113.02327	7.5
119.03403	2.7
119.08546	2.3
125.02332	1.5
127.79174	0.4
129.01854	0.7
136.05208	1.1
137.09610	4.9
143.03369	1.0
149.04459	0.7
153.09099	0.7
159.02931	0.5
161.04456	1.5
165.09067	0.7
167.03600	0.5
181.08577	2.3
191.05440	0.8
273.22205	1.5
283.23709	0.5
291.23218	0.7
317.21405	1.1
319.22769	4.0
335.22198	1.7
338.55997	0.5
345.37756	0.5
479.26529	2.2
497.27530	12.9
497.34229	0.9
498.28104	0.8
521.27246	1.7
539.28583	100.0
540.28925	15.7
540.35370	0.3
581.29907	0.9
701.34210	0.6
704.92865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.5
59.01252	38.6
61.98708	9.6
64.45901	0.9
66.09801	0.7
67.01764	1.2
69.03306	1.0
71.01253	23.2
72.99174	1.2
73.02818	13.6
75.00739	1.1
76.48056	0.8
81.03329	1.1
83.01264	4.2
85.02825	9.1
85.06476	1.0
85.11126	0.8
87.00738	1.0
89.02316	8.8
93.03346	2.1
95.01261	1.6
95.04908	1.1
97.02877	1.3
99.00743	1.5
99.04400	100.0
100.04734	2.5
101.02326	15.7
109.02897	1.0
109.06536	1.1
113.02326	11.1
113.05988	1.4
117.45409	0.8
119.03379	3.0
122.03654	1.0
123.04423	1.9
125.02335	4.8
135.04425	2.7
137.02361	1.6
139.07518	1.1
141.05493	3.2
143.03365	2.4
151.07544	2.9
161.04424	3.3
163.07455	0.8
171.06531	1.9
173.04469	2.5
177.01926	1.4
179.03435	1.0
179.05556	1.6
191.05603	1.4
209.11819	1.4
243.02718	1.0
261.09802	1.4
289.07208	2.4
319.22705	1.6
352.35324	0.9
397.22375	3.9
439.23294	1.4
497.27335	46.8
498.27872	6.5
521.27582	1.7
539.28595	51.3
540.28979	8.2
702.65814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
55.03020	0.5
55.80587	0.8
57.03315	3.2
58.00455	0.9
59.01252	32.1
60.27827	0.6
61.72950	0.5
61.98700	3.5
62.94165	0.5
69.03302	0.9
71.01254	26.6
72.99166	1.6
73.02822	11.2
74.03180	0.6
75.00740	0.7
83.01263	4.4
85.02823	12.4
86.03133	0.6
87.00739	2.0
88.98682	0.7
89.02315	7.8
93.03306	0.7
95.01263	2.7
96.95892	0.6
97.02827	1.5
97.42671	0.5
98.19769	1.4
99.00746	2.8
99.04396	4.6
101.02321	16.6
111.08019	1.1
113.02332	10.4
113.05969	0.8
119.03346	2.9
121.02847	0.6
123.04381	0.7
125.02304	1.5
131.03391	0.7
135.04356	0.9
136.05161	0.7
137.02357	0.9
137.05959	0.5
143.03514	0.6
145.90508	0.5
149.04485	0.9
151.03932	0.9
151.07460	0.9
151.11272	0.5
155.07016	0.8
155.10664	1.5
155.92976	0.5
159.02908	0.6
161.02429	0.6
161.04471	1.8
167.10666	2.2
171.10164	0.7
173.04434	1.1
179.03415	0.6
191.05489	1.5
199.09473	0.6
200.04428	0.5
215.12982	0.5
317.21204	1.0
319.22702	2.8
335.22314	1.3
442.22531	0.6
458.20734	0.5
479.26123	3.9
480.27057	0.7
497.27521	100.0
498.27936	15.6
521.27893	0.8
539.28577	33.2
540.28845	5.4
557.42908	0.6
583.27814	0.6
592.23724	0.6
701.34595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09851	0.8
59.01251	16.9
61.53063	0.7
61.98697	2.1
62.96284	0.7
65.52190	0.7
69.03329	2.3
70.57587	2.2
71.01257	3.6
73.02814	0.9
74.92807	0.8
77.62883	0.6
78.95790	0.7
80.73169	0.6
80.96374	0.7
81.03330	0.7
83.04884	0.8
87.00745	1.1
88.52846	0.7
89.02327	2.3
92.09713	0.7
96.01286	0.7
101.02306	2.6
109.02810	0.8
109.06496	0.9
113.02343	1.3
120.28434	0.7
125.02353	2.1
137.02347	0.9
144.43561	0.7
149.02330	0.8
149.09634	0.8
151.03926	0.9
152.99590	0.9
161.04465	1.3
167.10684	2.8
171.10132	0.9
179.05571	0.9
179.10753	1.1
179.14363	1.9
183.13805	6.0
193.12332	1.4
195.13884	8.2
197.72731	0.8
205.12309	5.5
211.13345	100.0
212.13705	7.1
223.13356	74.8
223.15611	1.6
224.13686	4.5
232.41684	0.8
235.08188	3.3
253.09242	6.5
258.20178	0.7
277.21725	1.2
281.24863	1.2
289.07227	1.3
309.20758	0.8
411.01016	0.8
429.21472	1.5
441.21390	1.8
447.22278	10.0
448.22314	1.5
459.22342	11.4
460.22903	1.3
509.28687	1.3
563.71826	0.8
609.32373	1.3
635.33972	4.2
636.34863	1.1
653.35370	5.5
654.35309	1.5
707.77643	0.9
731.82739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24335	0.1
57.57759	0.1
61.98703	100.0
62.98398	0.2
70.51602	0.1
81.04182	0.1
85.83672	0.1
99.92476	0.1
100.66735	0.1
114.87296	0.1
116.92761	0.6
117.92754	0.2
125.02340	0.4
135.16051	0.1
151.03922	0.2
170.28706	0.2
171.10269	0.2
172.10538	0.2
177.76863	0.1
183.88989	0.1
186.32043	0.1
219.73550	0.1
226.74002	0.1
281.24902	0.2
281.29184	0.1
289.07300	0.3
489.98175	0.1
591.39417	0.1
628.21008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51667	0.8
59.01253	100.0
61.98700	1.9
62.80592	0.8
69.24002	0.8
73.44279	0.8
73.87062	0.9
75.45354	0.9
77.05789	1.0
87.00675	1.0
100.95792	0.9
110.24567	1.0
277.21713	1.4
441.15228	1.4
455.17175	2.2
473.18326	4.2
495.12741	1.1
496.14032	2.6
511.16544	1.1
512.13208	11.5
513.13727	3.2
526.15021	10.4
527.15155	4.7
535.46161	1.1
569.17316	1.3
601.19385	4.0
602.19739	1.3
613.19263	1.4
614.20190	72.2
615.20459	17.5
618.15790	1.3
632.17535	2.1
646.19171	10.2
647.19617	2.0
673.21283	1.4
687.22974	5.1
688.22955	1.3
747.25250	52.9
748.25427	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	747.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06079	0.4
55.01752	1.3
57.03310	1.3
58.00456	0.5
59.01254	44.0
59.98382	0.4
60.01595	1.1
61.98717	2.7
69.03323	1.4
69.21468	3.0
69.21889	1.5
71.01254	22.3
72.99177	1.6
73.02444	0.8
73.02822	9.1
82.93839	0.5
83.01268	4.4
85.02819	10.0
87.00749	1.9
89.02325	4.3
93.03361	0.5
95.01274	1.9
96.95904	0.6
97.02827	1.4
99.00760	2.7
99.04392	1.6
101.02328	13.5
109.02827	0.8
113.02340	8.8
114.02677	0.7
119.03397	1.0
125.02325	1.9
129.01810	0.6
137.02385	0.7
143.03400	0.6
155.10649	0.8
159.02975	0.8
161.04462	2.2
173.04572	0.5
179.77138	0.6
196.64331	0.5
218.12868	0.5
233.15436	0.6
235.17003	10.3
236.17232	1.0
251.16571	2.9
298.17361	0.5
395.20779	3.1
413.21762	10.7
414.22354	1.4
437.21765	1.5
455.22876	100.0
456.23129	13.8
497.24048	0.8
498.28082	0.6
499.28308	2.5
539.28387	1.6
540.29132	1.7
541.29498	4.7
574.16443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.5
61.98701	100.0
62.98421	0.4
67.69492	0.2
71.52708	0.3
75.00749	1.3
83.01268	0.3
87.00712	0.3
125.02348	1.0
211.13406	0.7
212.13625	0.4
213.13872	0.3
218.26141	0.4
223.13443	0.6
255.23380	0.4
289.07108	0.5
289.17947	0.3
533.48126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03312	0.7
58.00474	0.5
59.01252	7.7
61.98707	1.8
67.83035	0.3
69.03327	2.6
71.01253	5.1
71.04898	2.2
71.96671	0.4
72.99178	6.9
73.02830	1.1
77.06633	0.4
78.42815	0.4
78.95779	0.5
80.02539	0.6
81.03323	1.2
83.01269	0.8
83.04904	1.3
85.02820	0.9
85.06467	0.6
87.00761	1.2
89.02316	2.6
93.03297	0.7
94.41275	0.4
95.01259	0.6
95.04902	1.6
96.95924	0.8
97.06473	0.8
98.03624	0.7
98.20653	0.9
101.02306	4.2
103.62000	0.4
106.04102	0.8
109.06474	7.3
111.00755	0.6
111.04404	2.5
111.08032	1.3
113.02319	2.6
113.32138	0.4
119.03393	0.8
119.57695	0.4
123.04401	0.5
123.08029	1.3
125.02310	1.0
127.07516	1.0
133.10094	0.4
135.08003	0.8
135.11679	0.7
143.10693	0.9
145.04906	0.9
145.06499	0.8
147.62561	0.4
149.09625	1.5
151.11192	1.1
161.04488	1.7
161.09662	0.5
167.10695	4.6
169.12263	0.4
171.10194	0.4
177.12744	1.7
179.05522	0.9
179.10724	2.2
179.14371	2.4
181.12222	0.4
191.14348	0.4
195.13814	12.5
196.14198	0.8
200.22171	0.4
205.12268	11.0
206.12654	0.9
223.13344	99.9
224.13687	6.2
235.08214	4.6
237.14915	2.1
245.19131	3.6
251.16382	0.6
253.09264	12.7
254.09566	0.7
271.17004	1.4
273.15103	0.4
275.16406	1.4
287.16626	1.2
289.18091	100.0
290.18405	8.3
293.21167	0.6
307.19174	6.8
308.19489	0.5
309.21130	0.5
437.26941	1.6
455.28033	1.8
459.22385	7.7
460.22549	0.8
477.30142	0.7
495.31323	1.6
513.32178	1.1
525.27069	2.5
526.27155	0.5
621.33197	0.6
673.36255	2.4
691.36469	0.6
731.40051	2.4
749.38885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59303	0.2
59.01255	1.3
61.98698	1.1
71.01253	1.5
71.52110	0.2
72.99178	2.5
75.00747	100.0
76.01074	1.0
76.03797	0.2
87.00765	0.2
89.02334	0.8
93.15197	0.2
96.95921	0.3
97.02811	0.2
101.02313	0.7
102.73093	0.2
103.42757	0.2
113.02346	0.4
119.03417	0.3
125.02330	0.4
138.80278	0.2
143.03444	0.3
143.54868	0.2
161.04440	0.3
171.10094	0.3
177.13002	0.2
179.05487	0.2
221.11766	0.4
223.13150	0.2
235.08206	0.7
253.09293	0.4
277.21710	2.8
278.22107	0.2
293.21295	0.2
305.08871	0.2
397.13486	5.7
398.13962	0.4
415.14627	2.1
672.50458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
59.01253	6.7
61.98704	1.5
65.34008	0.4
66.73553	0.5
67.67088	0.4
69.03332	2.3
71.01256	5.3
71.04897	1.3
71.52719	0.7
71.65145	0.5
73.02823	1.3
78.70599	0.5
83.01254	1.1
83.04912	1.4
85.02834	1.9
85.06445	0.9
87.00742	1.2
87.04379	0.8
89.02310	3.3
93.03339	0.6
95.01340	0.6
95.04904	1.0
97.02844	1.7
97.06488	0.7
101.02325	4.7
109.06487	1.7
111.04452	0.6
111.08044	3.4
113.02339	2.5
121.10014	0.4
125.02377	0.9
125.09560	0.6
127.07571	0.7
145.04950	0.8
149.09601	0.6
161.04463	1.8
163.11217	1.0
165.12831	0.7
167.10736	3.4
169.12262	0.9
171.10208	1.8
177.12770	0.8
179.05516	0.9
179.10660	1.1
179.14334	3.4
181.12289	1.0
183.13797	0.6
189.09344	0.4
193.12306	0.7
195.13826	12.2
196.14206	0.5
197.11780	18.3
198.12096	0.9
199.13330	1.0
205.12285	10.9
206.12589	1.1
207.10236	0.8
209.11789	3.2
211.13397	2.9
212.13676	0.6
221.11824	1.1
221.15395	3.0
223.13351	100.0
224.13670	7.1
225.11284	0.6
227.12926	1.0
235.08160	5.4
239.16495	0.9
247.20715	0.9
253.09271	16.3
261.97421	0.5
263.20053	0.9
265.18271	0.6
273.18524	1.2
287.16525	0.7
289.18372	0.6
291.19678	19.3
292.19995	2.3
293.21228	0.7
305.17783	0.7
309.20709	67.4
310.21039	5.9
323.22147	0.6
459.22372	11.0
460.22580	1.1
515.34033	1.1
525.94470	0.5
527.28418	0.8
545.29761	1.3
717.52106	0.5
731.59216	0.5
751.41595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
56.47221	0.3
57.03323	1.1
58.00477	0.5
59.01250	5.9
61.98703	0.5
67.01756	0.3
69.03323	1.8
69.80921	1.6
71.01253	4.7
71.04883	0.9
72.99171	0.4
73.02814	1.5
81.03328	0.4
83.00711	0.2
83.01247	0.9
83.04903	0.9
85.02822	2.0
85.06474	0.3
87.00771	0.9
89.02319	2.8
91.03883	0.5
93.03324	0.4
95.01257	0.6
95.04888	0.5
97.02854	0.7
97.06455	0.5
99.13713	0.3
101.02322	4.9
109.06477	1.1
111.08054	5.6
112.08369	0.5
113.02335	2.3
119.03384	0.9
121.06474	0.3
125.02345	0.4
125.09610	0.4
127.07516	0.3
130.99767	0.3
135.11664	0.4
141.09120	0.4
143.03362	0.5
145.04961	0.5
149.09673	0.6
151.11206	0.7
153.12753	0.7
161.04468	2.2
167.10695	2.9
169.12277	2.6
171.10095	0.4
177.12724	0.9
179.05518	0.7
179.10707	1.7
179.14323	3.7
181.12163	0.3
183.13878	0.5
193.12358	0.6
195.13837	10.3
196.14201	0.9
197.11771	32.4
198.12166	1.9
199.13364	2.1
200.49628	0.3
205.12289	10.8
206.12553	0.4
211.13329	4.4
221.11769	4.6
222.12305	0.4
222.14885	0.3
223.13348	100.0
224.13701	6.6
227.12811	0.5
235.08179	6.8
236.08644	0.3
239.12865	3.6
240.13281	0.5
253.09258	16.9
254.09607	0.9
259.83420	0.3
263.20102	2.2
264.20572	0.3
265.18182	0.9
273.18546	0.6
275.20132	0.3
291.19638	10.9
292.19928	0.8
293.21225	3.8
294.21661	0.4
309.20712	44.4
310.20993	4.7
433.21301	0.4
441.21075	0.7
457.21039	0.4
459.22342	11.6
460.22662	1.7
475.22006	0.7
515.33685	0.6
527.28424	0.6
545.29694	0.9
751.42590	1.8
752.42847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
57.67116	1.0
59.01246	8.9
61.98693	4.2
67.41486	0.9
69.52842	7.1
71.01261	7.0
83.04877	1.2
85.02809	2.3
89.02307	3.1
91.49316	0.9
96.95901	11.9
98.20608	1.3
100.19770	1.0
101.02337	4.3
113.02368	1.5
123.04447	1.1
159.11679	1.7
161.04431	1.3
177.12828	14.2
179.05728	1.1
179.14276	1.2
195.13846	79.1
196.14156	3.5
200.83061	1.0
207.10201	2.1
221.11769	4.2
223.13344	4.3
235.08118	2.3
239.12852	6.8
253.09271	5.1
275.20197	2.9
293.21231	30.1
307.19070	1.2
309.20731	1.7
349.28839	1.2
457.20615	1.9
463.60120	1.1
475.21823	5.5
751.42731	100.0
752.43030	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03317	0.9
58.00468	0.4
59.01250	7.0
61.98700	0.5
69.03321	2.8
71.00897	0.4
71.01260	4.6
71.04898	0.6
71.31621	0.6
72.99174	0.5
73.02824	1.1
81.03330	0.3
81.56752	0.3
83.01266	0.6
83.04919	1.2
85.02818	1.3
85.06471	0.6
87.00771	0.6
89.02325	3.3
93.03387	0.3
95.01292	0.3
95.04897	0.7
97.02819	1.5
97.06482	0.6
101.02329	4.5
101.88209	0.2
109.06481	1.1
111.08048	7.2
113.02341	2.5
119.03390	1.1
123.08033	0.3
125.02326	0.3
125.09596	0.7
127.07525	0.5
135.11760	0.4
137.09650	0.7
141.09106	0.4
143.03387	0.5
145.04993	0.5
149.09628	0.8
151.11157	0.4
153.09099	0.4
153.12715	0.9
161.04469	2.5
163.11185	0.5
165.12761	1.0
167.10692	3.6
169.12268	3.0
171.10162	1.2
177.12787	0.8
179.05545	0.8
179.10712	1.7
179.14336	3.4
181.12259	0.7
183.13838	0.7
193.12224	0.5
195.13853	9.7
196.14211	0.6
197.11765	35.6
198.12076	2.7
199.13277	2.2
205.12283	10.2
206.12611	0.8
209.11826	0.5
211.13348	5.4
212.13736	0.5
221.11816	0.6
223.13351	100.0
224.13693	7.8
227.12836	1.7
235.08200	4.5
247.20616	0.9
249.14958	1.6
253.09273	17.6
254.09552	0.6
263.20126	1.6
264.20386	0.4
265.18094	0.8
273.18616	1.1
289.94766	0.3
291.19669	19.7
292.20117	2.2
293.21210	0.6
304.81396	0.3
309.20712	55.4
310.21017	6.3
433.20776	0.9
438.34634	0.4
441.21109	0.5
451.70102	0.3
459.22327	9.9
460.22754	1.1
515.33942	0.8
527.28760	0.5
545.29541	1.8
751.42560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56014	0.2
55.95693	0.2
56.92833	0.2
57.03337	0.3
59.01249	1.1
61.98705	100.0
62.68130	0.2
64.51018	0.2
71.01254	0.4
92.20673	0.2
96.95912	0.3
98.19822	0.9
101.02362	0.3
125.02365	0.7
135.08067	0.3
137.33685	0.2
151.03912	0.3
163.11159	0.3
171.10201	1.2
185.11771	0.4
197.11824	0.3
207.10204	0.4
209.11784	4.2
211.13425	0.7
217.00385	0.5
225.11292	0.8
227.12903	1.3
253.09348	0.9
289.18036	1.2
291.19672	0.3
291.32724	0.2
307.19220	0.9
309.20471	0.3
355.80002	0.3
679.90253	0.3
753.40881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
65.00181	0.8
69.73726	3.5
91.07786	0.7
107.01236	1.1
108.02044	1.6
148.01477	1.2
151.00240	5.4
154.93063	0.8
163.00325	1.1
164.01003	0.9
178.27713	0.7
178.99745	2.7
211.03914	0.9
215.03271	1.0
226.02721	2.4
227.03407	2.6
243.03001	11.8
244.03371	1.3
254.02272	2.2
255.02982	27.0
256.03284	2.6
271.02481	61.0
272.02939	6.9
299.01984	2.7
300.02747	100.0
301.03168	10.5
353.37881	0.9
362.43695	1.0
569.10553	1.1
609.14587	33.5
610.14844	7.4
651.15814	20.9
652.15930	3.5
691.18762	5.3
692.19220	1.7
753.18805	11.6
754.19501	2.5
767.34015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15252	2.6
57.03323	20.0
59.01254	40.8
61.98703	90.6
69.03324	3.0
71.01250	19.0
72.84476	2.4
73.02814	6.1
81.03335	10.3
83.01257	11.1
85.02827	9.5
89.02335	7.0
93.03318	3.7
95.01279	3.6
95.04917	5.6
96.95895	8.7
97.02818	5.3
99.00725	2.7
99.04394	10.4
101.02341	15.6
109.02834	15.0
113.02303	6.5
119.03393	3.8
123.04427	27.9
125.02339	99.4
126.02683	3.9
133.02881	4.0
135.04405	4.1
137.02359	14.2
139.03926	4.5
140.85712	2.7
147.04462	6.5
149.02342	6.5
151.03912	9.7
159.04460	3.8
161.02376	21.4
161.04552	2.8
162.03091	3.2
163.03947	5.6
163.07532	4.3
164.01054	3.2
165.01836	9.1
167.03418	100.0
168.03709	5.4
173.02382	5.3
173.04507	3.5
174.03099	4.5
175.03940	25.4
177.01826	6.5
177.09137	3.2
187.03990	4.6
189.05524	3.2
199.03986	7.9
201.01881	6.5
201.05557	4.1
203.03459	6.8
203.07130	8.4
205.04945	5.5
205.08601	5.7
206.05220	3.3
209.11806	12.4
211.04027	5.4
213.05444	4.0
217.05136	4.6
227.03471	7.5
237.05757	3.8
239.03535	3.5
241.04898	5.1
243.03003	3.5
245.04491	4.6
255.03015	4.7
256.03967	4.5
263.07092	5.0
266.05774	3.8
267.06430	3.1
268.03760	3.8
268.71985	3.5
269.04431	3.5
277.05151	4.3
280.03763	3.2
281.04584	6.2
287.05472	3.3
289.07172	9.0
291.06619	4.6
293.04477	3.3
297.04199	4.3
300.02600	3.7
309.04044	23.5
309.11649	3.4
310.04688	3.8
317.04666	4.2
323.09360	7.6
327.05182	5.4
335.09335	10.5
349.11005	4.0
363.08740	6.3
365.10416	3.7
365.81888	3.2
367.11844	27.9
377.10358	10.3
406.10025	3.5
407.07480	6.2
449.08893	6.3
487.13995	80.0
488.14374	11.5
503.13379	29.8
504.13840	3.6
529.15088	60.1
530.15100	9.8
531.42981	3.0
593.18298	5.1
611.19672	7.9
627.22620	4.4
637.17230	8.2
649.38324	9.4
650.38501	3.9
655.18121	33.2
656.18335	8.8
667.38971	11.7
709.39514	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	753.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26286	0.4
57.01470	0.4
57.03318	0.7
59.01247	1.3
60.99186	0.5
67.01760	3.5
69.03323	1.1
69.66865	2.6
71.01255	3.0
73.02843	0.5
75.71702	0.4
81.03342	0.5
83.04919	0.7
85.02807	1.0
87.00762	1.3
89.03812	0.5
90.93052	0.4
93.03337	27.3
94.03685	1.2
102.52360	0.4
109.02808	0.9
111.00740	0.6
111.04404	4.8
113.02386	0.6
117.03361	1.3
119.01227	0.4
125.02333	1.3
126.36104	0.4
127.03878	0.5
134.03638	15.1
135.04169	0.5
137.02347	4.3
149.05984	1.2
152.79837	0.4
155.03395	4.4
156.18124	0.4
173.04477	100.0
174.04846	3.6
178.02658	0.7
184.34937	0.4
191.05551	22.2
192.05864	0.8
193.04999	14.9
194.05373	0.6
203.47388	0.4
212.16292	0.4
365.14911	0.6
367.10333	34.8
368.10773	3.2
614.48401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.4
57.03322	7.0
58.00463	4.6
59.01252	100.0
60.01587	1.6
61.70507	1.0
61.98706	15.2
69.65156	4.7
71.01257	72.2
72.99169	3.8
73.02820	10.6
75.00739	1.8
81.03348	1.9
83.01260	8.1
85.02826	23.9
87.00759	6.8
87.04384	2.5
89.02319	38.3
90.02664	1.2
94.40304	1.1
95.01270	8.4
96.95837	1.5
97.02814	4.5
99.00748	4.1
101.02327	43.7
111.00784	2.5
113.02338	30.0
119.03402	12.8
123.04394	2.7
124.01627	1.4
125.02351	10.4
131.03381	1.7
137.02356	3.1
143.03406	5.7
149.04446	2.2
151.03894	1.5
159.02992	1.3
161.02338	1.4
161.04506	5.5
165.01863	1.3
167.03406	1.8
179.05501	5.1
271.02539	2.2
289.07288	3.1
299.02060	2.6
343.28455	4.6
346.57434	1.1
461.27573	2.5
469.31799	1.6
487.32709	13.6
488.32993	1.9
490.76260	1.2
505.33841	12.3
506.34662	1.6
529.14850	1.2
649.38025	95.9
650.38605	15.8
667.39075	87.9
667.55841	1.8
668.39386	14.0
709.27570	2.3
709.40137	38.5
710.39996	6.1
753.40344	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34443	0.6
59.01251	14.2
59.18561	0.6
61.01500	0.6
61.98686	0.9
71.01239	2.4
71.51015	1.0
73.40686	0.7
78.95770	0.7
88.42469	0.6
89.02311	1.3
98.51219	0.6
101.02320	1.0
113.02325	1.2
114.93158	0.7
126.57722	0.8
137.18988	0.8
153.12766	1.0
169.12201	4.2
179.05685	0.8
183.93713	0.7
197.11763	100.0
198.12109	4.5
199.13470	0.7
203.05351	0.7
219.73326	0.7
221.80307	0.7
225.06561	0.8
235.08221	1.7
253.09302	6.3
276.68222	0.7
277.21729	51.7
278.22043	4.8
415.20245	1.0
433.20453	5.2
723.71204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92636	0.5
65.00210	1.1
67.32652	0.4
71.28727	0.8
83.01276	0.7
100.59656	0.4
107.01308	1.4
108.02069	1.7
108.97077	0.5
121.02853	0.6
121.91022	0.4
124.01692	0.5
135.00755	0.7
148.01582	2.0
151.00275	4.9
154.69286	0.4
163.00340	0.6
164.01064	0.5
178.99782	3.9
184.91739	0.5
199.03912	1.4
201.01976	0.4
215.03430	0.7
216.04300	0.6
226.02733	1.5
227.03505	2.5
243.02974	10.7
243.05351	0.6
244.03522	1.1
254.02213	2.0
255.02982	25.8
256.03275	2.4
259.09818	0.5
271.02493	58.0
272.02911	6.8
299.02029	3.0
300.02756	100.0
301.03284	13.6
351.51044	0.4
355.04636	0.5
585.72247	0.5
677.32123	0.5
755.20380	81.4
756.20721	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	755.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.4
55.85929	0.9
57.03316	4.3
58.00471	1.4
59.01252	47.0
60.01588	1.1
61.74013	0.8
61.98701	2.9
66.68887	0.9
69.03319	2.4
69.68585	2.7
69.69012	3.8
71.01254	41.5
72.52760	0.9
72.99190	1.6
73.02830	11.2
75.00742	2.0
78.73929	0.9
83.01269	8.4
85.02354	1.5
85.02831	19.1
85.99960	1.7
87.00749	3.9
89.02312	9.0
93.03334	1.8
95.01292	5.3
95.73755	0.8
96.95889	1.3
97.02865	4.7
98.02353	1.0
99.00742	4.7
101.02325	26.1
109.02816	1.5
111.00764	3.5
112.01538	1.7
113.02340	20.1
115.03887	1.0
119.03395	3.8
119.04906	1.7
123.04450	1.3
124.01524	1.8
125.02344	6.6
134.03664	1.1
135.03133	0.8
137.02373	1.8
139.00342	1.3
143.03381	3.7
149.04498	1.0
151.03899	1.2
155.10629	1.5
158.54419	0.9
159.02921	2.5
161.04448	3.7
173.04489	5.1
179.03424	1.1
191.05545	2.2
197.80269	0.9
242.01668	1.0
253.72446	1.1
255.02742	1.0
289.07318	2.5
299.25955	2.4
300.02615	1.3
345.30066	3.7
450.53979	0.9
463.81345	0.9
489.34384	6.6
507.35349	7.8
508.35962	2.1
615.37286	1.4
651.39606	100.0
652.30109	1.7
652.39954	19.0
669.40680	43.9
670.41113	9.3
711.41992	19.9
712.42145	3.8
755.41516	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	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65738	0.9
55.01758	3.6
57.03322	4.4
59.01253	64.0
61.98698	1.7
69.03333	1.9
70.91502	1.3
70.91832	2.0
71.01257	51.4
72.01598	1.5
72.99180	2.8
73.02824	10.4
78.95784	1.2
81.03321	1.4
83.01265	7.9
85.02827	23.7
85.99982	1.5
87.00755	4.4
88.98709	0.9
89.02319	15.6
95.01275	5.6
96.95899	1.2
97.02818	4.0
99.00759	3.4
101.02329	30.0
111.00771	4.9
113.02331	21.9
119.03381	5.6
124.01560	2.2
125.02352	8.6
131.03383	1.7
137.02379	2.0
142.73808	1.1
143.03384	4.3
156.64140	1.0
159.02905	3.6
161.02339	1.9
161.04436	3.3
161.05667	1.3
165.69638	1.0
173.04457	2.3
185.00816	1.0
191.05521	1.3
241.50226	1.3
289.07275	2.1
345.30136	3.9
372.53745	1.1
489.34528	6.0
507.35767	8.2
508.35345	2.1
510.58420	1.2
585.17517	1.5
615.37708	1.3
618.04175	1.2
651.39587	100.0
652.40051	23.2
669.40674	47.8
670.41119	12.5
711.30884	2.0
711.41980	22.4
712.42310	6.2
755.42542	8.8
756.42413	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	755.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64292	0.8
55.01763	4.0
57.03329	5.0
58.00464	1.3
59.01250	55.2
61.98698	3.0
69.03332	3.7
71.01255	45.2
71.52792	0.9
72.99181	1.6
73.02824	12.3
75.00745	1.3
81.03297	0.8
83.01261	7.6
85.01675	0.9
85.02830	20.0
85.99969	2.0
87.00752	4.3
89.02314	11.5
93.03367	1.3
95.01289	3.9
96.95888	2.2
97.02815	4.3
99.00761	4.3
101.02322	24.5
109.02829	1.4
111.00771	4.4
112.01553	2.3
113.02329	19.9
119.03403	4.0
123.04392	1.2
124.01558	2.5
125.02332	8.9
129.01913	1.6
129.80325	1.0
135.04399	1.6
137.09615	0.9
139.00262	1.3
143.03398	5.3
149.02396	0.9
155.10587	1.3
159.03003	1.4
161.04527	4.4
161.05711	1.1
163.03987	1.3
165.09000	1.2
165.46951	0.9
171.13730	1.3
173.04468	2.4
181.04759	0.8
183.24789	0.9
185.00894	1.7
191.05508	2.5
202.34816	1.0
204.26912	0.9
289.07129	1.5
299.26028	2.1
300.02725	1.7
345.30118	3.7
426.78311	0.9
489.34549	5.8
507.36380	8.7
545.72577	1.0
569.29785	1.5
603.38116	1.0
605.45703	1.0
615.37372	1.8
651.39581	100.0
652.39954	17.9
669.40613	43.0
670.41052	8.3
711.41888	15.0
712.41730	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.8
58.00463	3.8
59.01250	100.0
61.98706	42.5
69.03316	5.0
69.19434	27.4
71.01254	66.1
72.99166	5.9
73.02814	18.3
75.00743	3.0
78.95792	3.6
79.13818	2.2
79.35196	2.5
83.01250	7.4
83.93674	2.3
85.02829	26.6
85.35394	2.3
85.48869	2.2
87.00745	7.9
89.02319	30.0
95.01258	8.1
96.95886	9.0
97.02804	6.8
99.00751	5.3
99.27532	2.5
101.02326	38.6
109.02817	3.9
111.00725	4.3
113.02322	29.2
114.02701	2.7
119.03397	12.0
121.02865	2.8
123.04410	3.3
125.02303	17.4
137.02335	8.8
143.03358	4.7
144.22783	2.3
149.06029	3.0
150.03137	4.2
150.06790	15.9
151.03963	3.7
152.99570	2.5
155.10661	6.7
161.02394	5.0
161.04407	5.2
163.07504	5.0
165.01886	3.7
175.03821	2.7
177.09161	2.4
178.09981	2.6
179.03342	2.5
179.05576	4.3
185.00880	2.3
191.05429	2.6
193.05040	3.0
193.08682	2.8
194.12581	2.3
199.09593	5.5
209.11722	3.3
211.13258	3.2
223.89671	2.5
289.07132	6.4
345.29956	3.3
489.34122	4.1
506.32742	3.9
507.34033	17.5
549.35510	2.9
651.29236	5.4
651.39569	77.0
652.39966	16.1
669.40656	60.4
670.40533	11.4
711.41644	49.3
712.41504	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	755.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.8
58.00463	3.8
59.01250	100.0
61.98706	42.5
69.03316	5.0
69.19434	27.4
71.01254	66.1
72.99166	5.9
73.02814	18.3
75.00743	3.0
78.95792	3.6
79.13818	2.2
79.35196	2.5
83.01250	7.4
83.93674	2.3
85.02829	26.6
85.35394	2.3
85.48869	2.2
87.00745	7.9
89.02319	30.0
95.01258	8.1
96.95886	9.0
97.02804	6.8
99.00751	5.3
99.27532	2.5
101.02326	38.6
109.02817	3.9
111.00725	4.3
113.02322	29.2
114.02701	2.7
119.03397	12.0
121.02865	2.8
123.04410	3.3
125.02303	17.4
137.02335	8.8
143.03358	4.7
144.22783	2.3
149.06029	3.0
150.03137	4.2
150.06790	15.9
151.03963	3.7
152.99570	2.5
155.10661	6.7
161.02394	5.0
161.04407	5.2
163.07504	5.0
165.01886	3.7
175.03821	2.7
177.09161	2.4
178.09981	2.6
179.03342	2.5
179.05576	4.3
185.00880	2.3
191.05429	2.6
193.05040	3.0
193.08682	2.8
194.12581	2.3
199.09593	5.5
209.11722	3.3
211.13258	3.2
223.89671	2.5
289.07132	6.4
345.29956	3.3
489.34122	4.1
506.32742	3.9
507.34033	17.5
549.35510	2.9
651.29236	5.4
651.39569	77.0
652.39966	16.1
669.40656	60.4
670.40533	11.4
711.41644	49.3
712.41504	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01248	5.4
59.14593	0.3
61.98707	1.6
62.96777	0.3
69.03308	0.6
71.01249	3.8
71.04877	0.7
71.10198	0.6
72.99199	0.4
73.02813	0.9
73.53001	0.3
80.02540	1.1
81.03323	1.1
83.01256	0.7
83.04901	4.8
84.02045	0.7
85.02818	1.1
87.00739	0.6
89.02319	3.0
89.59226	0.4
93.03335	0.4
95.04916	0.7
97.02840	2.0
97.06470	0.6
101.02312	3.3
109.06467	1.0
109.13918	0.3
111.08038	3.1
112.88531	0.3
113.02318	2.0
118.17577	0.3
119.03387	0.4
123.07984	0.4
125.02386	0.4
125.05951	0.7
125.09621	0.7
127.07487	0.3
132.91055	0.3
133.05031	0.3
135.08064	0.7
143.03410	0.4
151.11174	0.7
153.09045	0.4
153.12788	0.7
157.04962	0.3
161.04474	1.4
163.11192	3.9
165.12759	3.2
167.03307	0.3
167.10625	0.3
169.12202	1.4
171.10179	3.7
179.10854	0.3
181.12271	1.2
183.13799	1.4
185.11787	0.5
191.10756	1.0
193.12321	0.4
197.11761	18.6
198.12137	0.7
199.13318	2.6
201.11305	0.4
207.10278	0.7
209.11771	100.0
210.10098	0.4
210.12105	5.9
211.13339	11.8
212.13762	0.9
223.13289	0.4
225.11314	1.8
227.12839	16.0
228.13179	1.3
229.14542	0.3
235.08147	4.5
235.13397	0.5
247.20714	1.0
253.09273	14.3
254.09673	0.8
263.20142	1.1
273.18588	0.7
291.19656	15.0
292.20020	1.2
293.21204	3.0
307.19305	0.5
309.20712	35.6
310.21112	2.7
325.20200	3.7
445.20721	0.6
461.20273	0.4
501.32190	0.4
545.30066	0.5
737.40625	0.3
755.28021	0.4
755.42267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
57.13358	0.3
58.00450	0.4
58.77573	0.3
59.01249	5.4
61.98708	3.8
63.25511	0.3
69.03331	0.8
70.26518	1.1
71.01253	4.1
71.04893	0.5
72.04540	0.3
72.99188	0.4
73.02831	0.8
80.02552	1.1
81.03338	1.0
81.68858	0.3
82.53541	0.3
83.01250	0.4
83.04897	5.1
84.02044	1.0
85.02827	1.2
87.00743	0.9
89.02317	2.7
93.03322	0.4
95.01256	0.6
95.04889	0.6
97.02835	2.2
97.06480	1.0
98.54446	0.3
101.02321	3.3
109.02865	0.3
109.06481	1.0
111.08032	3.7
113.02338	1.7
119.03376	0.8
122.40223	0.2
123.08054	0.3
125.02344	0.7
125.06023	0.3
125.09585	0.7
126.02541	0.3
127.07491	0.3
135.08037	0.5
137.09650	1.0
145.04942	0.6
152.99510	0.3
153.12741	0.5
161.04515	1.5
163.11214	3.9
164.11519	0.4
165.12769	4.1
169.12204	1.9
171.10175	6.4
179.05518	0.5
179.10741	0.4
181.12291	1.2
183.13828	1.1
185.11739	0.7
191.10721	1.1
193.12299	0.7
195.13800	0.6
197.11774	18.3
198.12067	1.2
199.13338	3.7
201.11267	0.6
207.10208	1.0
209.11771	100.0
210.12119	6.3
211.13336	12.1
212.13654	0.6
223.13321	0.9
225.11292	2.3
225.14937	0.4
227.12845	16.5
228.13242	1.2
235.08197	4.3
247.20627	1.1
249.14731	0.4
251.16464	0.5
253.09273	15.6
254.09627	0.6
263.20139	0.9
265.18277	0.4
273.18683	0.6
275.20288	0.3
291.19666	17.7
292.20114	2.1
293.21255	4.6
294.21716	0.4
307.19229	0.5
309.20709	38.8
310.21021	3.6
325.20230	3.4
395.63647	0.3
395.73050	0.3
445.20978	1.0
447.22159	0.5
463.21640	0.9
501.32150	0.7
545.29950	0.7
578.53857	0.3
689.97345	0.3
755.41992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94357	0.9
59.01252	10.1
61.98710	5.7
63.44078	0.8
68.69070	0.8
71.01241	3.8
71.22416	1.5
71.22737	0.8
73.97705	0.8
74.62658	1.0
78.95769	1.8
87.00743	11.5
88.00261	2.9
89.02309	0.9
101.02335	2.1
113.02325	0.9
119.03413	0.9
127.11112	1.0
132.96605	0.9
145.09900	0.8
161.04465	1.2
161.38123	0.8
162.94823	0.8
171.10159	0.9
181.12257	1.9
197.11678	1.2
199.13332	100.0
200.13670	4.4
207.10210	0.9
209.11816	1.0
235.08192	2.8
253.09267	9.5
259.15475	1.1
277.21719	66.8
278.22079	6.8
291.19571	1.0
293.21228	4.1
295.22736	1.7
360.09592	0.9
435.22208	1.8
459.34595	4.5
483.22137	0.9
755.44733	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	755.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.0
61.98693	2.0
70.01245	4.6
70.01650	3.6
70.64951	1.4
71.01244	4.2
81.03326	2.0
83.04916	2.4
97.57380	1.6
98.19858	1.9
98.20412	3.2
101.02276	1.4
101.42424	1.5
142.66730	1.4
160.44264	1.5
161.04471	2.0
163.11215	3.8
165.12766	1.8
209.11769	100.0
209.79688	1.3
210.12131	6.7
227.12816	10.6
235.08379	3.3
253.09233	11.0
259.15527	5.4
277.21713	64.6
278.22198	7.4
293.21399	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.6
67.01756	3.9
67.88592	1.6
71.01248	5.3
71.52271	2.4
72.35511	1.7
77.16177	1.7
85.02816	3.9
87.00738	1.7
93.03338	23.4
94.03678	2.5
99.00708	1.6
104.82281	1.8
107.58574	1.6
109.02763	1.5
111.04379	3.4
113.02325	2.5
115.56483	2.2
121.02857	9.1
121.69394	1.6
134.03644	2.9
135.04431	27.7
137.02370	2.6
155.03416	3.4
161.02498	2.1
171.58136	1.7
173.04474	100.0
174.04807	6.9
179.03416	8.9
191.05537	22.6
193.05000	3.7
249.06114	6.7
281.39261	1.9
296.03659	1.9
351.07202	1.6
353.08774	52.5
354.09296	3.0
367.10257	4.9
368.10849	3.3
371.09991	22.2
389.06454	24.5
482.38461	1.9
593.04449	2.0
636.52222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42751	0.9
59.01259	2.5
59.82907	0.8
59.83269	1.0
67.01752	4.6
69.03322	1.2
69.53443	6.6
71.01257	2.7
72.99178	33.0
74.06804	0.9
81.03327	2.5
82.45563	0.9
83.04900	1.2
85.02818	6.4
87.00764	3.5
93.03333	27.4
94.03692	1.0
95.01265	2.4
95.04863	2.0
97.06473	1.5
108.02042	1.6
109.02824	6.5
111.00751	1.2
111.04390	5.2
121.02869	6.4
122.03600	1.1
123.00748	3.2
123.04414	9.5
124.01564	4.1
125.02329	1.7
135.04445	5.0
136.01570	1.7
137.02347	40.1
138.02681	1.3
139.03915	6.4
141.27528	1.1
149.02335	9.1
150.02936	1.0
151.03920	10.1
155.03412	4.0
157.04991	4.0
165.01833	1.8
167.03432	15.4
171.02841	1.4
173.04469	100.0
174.04823	6.6
177.01872	2.3
177.23161	1.1
179.03409	5.6
191.05542	63.9
192.05861	3.0
193.01384	9.9
195.02876	3.0
211.02478	6.1
229.03516	1.9
229.54704	1.0
247.04570	7.0
286.63144	0.9
332.50623	1.0
353.08844	4.6
354.09021	1.2
369.08405	2.5
385.07800	1.3
403.08820	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	757.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35489	0.3
57.03315	0.9
59.01257	2.7
61.98692	0.8
69.03332	0.5
69.46025	0.3
69.46347	2.3
71.01240	1.6
73.02813	0.7
83.01237	0.4
85.02819	1.3
87.00741	1.2
89.02278	0.3
90.02554	0.3
91.75603	0.3
96.95888	0.3
97.06463	0.5
99.00751	0.4
99.04396	0.9
100.33273	0.3
101.02301	0.6
109.02816	0.3
111.04401	0.5
111.07991	0.4
121.02870	0.3
121.06466	1.3
122.03608	1.2
123.04413	0.6
123.08031	0.9
125.02303	0.5
127.11205	0.5
134.03571	0.5
135.04373	1.2
135.08011	0.3
136.05199	31.5
137.05865	1.1
137.09616	1.3
147.08090	1.4
148.05185	1.0
149.05994	5.1
149.09561	0.4
150.03105	0.4
150.06786	5.1
151.03911	0.4
151.07446	0.5
155.10661	0.8
161.02281	0.4
162.06816	1.8
163.07530	1.6
164.08344	3.4
165.09120	25.3
166.09454	1.1
171.10135	0.4
173.04451	0.6
179.07036	0.7
179.10733	1.4
184.10941	0.8
191.05455	0.4
193.05028	0.3
201.11322	0.6
207.10204	0.8
246.29514	0.3
257.13824	0.4
261.18494	0.6
279.19608	0.6
289.18109	0.6
292.16702	1.2
299.18588	0.3
307.19147	3.9
308.19315	0.3
321.20523	0.5
336.19324	1.2
343.21265	6.2
344.21503	0.7
403.51224	0.4
445.29218	0.6
463.30695	8.4
464.30869	1.2
469.34610	0.4
490.28891	0.7
491.29721	1.8
508.29724	2.0
509.30991	19.2
510.31381	3.2
550.27289	0.4
553.19238	0.6
652.39392	0.5
653.39246	1.0
671.36383	2.1
686.33923	0.4
713.37518	100.0
714.37854	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
59.01260	2.6
66.67805	0.5
69.48067	2.0
69.48469	1.1
71.01271	1.5
73.02805	0.8
79.78639	0.4
80.71573	0.5
84.04004	0.4
85.02830	0.8
87.00768	1.3
89.02368	0.5
89.10908	0.4
98.19783	0.5
99.04395	0.6
111.08041	0.7
113.02288	0.4
121.02850	0.6
121.06465	1.3
122.03626	0.8
123.08051	1.4
127.11166	1.2
135.04404	1.5
135.77776	0.5
136.05200	32.3
137.05940	1.2
137.09584	0.7
139.03954	0.6
145.36339	0.4
147.08076	0.9
148.05157	0.6
149.05977	5.6
149.09685	0.5
150.06781	4.5
155.10654	1.3
162.06802	1.4
163.07539	2.0
164.08334	3.3
165.09129	27.8
166.09476	0.9
178.06255	0.5
179.10670	1.1
193.76222	0.4
207.10178	0.9
232.51469	0.4
257.13773	0.5
261.18732	0.7
277.01810	0.4
292.16724	1.3
307.19125	4.4
318.17844	0.5
336.19608	0.5
343.21286	5.7
344.21576	0.8
349.20172	0.5
349.53729	0.5
426.16418	0.6
445.29434	0.9
463.24530	0.8
463.30673	8.7
464.30594	1.0
491.30283	2.4
492.30557	0.5
508.29718	2.1
509.30991	19.5
510.31802	2.3
553.19043	0.7
653.38843	0.7
671.36322	1.8
713.37476	100.0
714.37781	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	757.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
59.01254	6.2
60.01542	0.5
60.59101	0.4
61.00865	0.5
61.98691	2.1
69.03336	0.5
71.01264	2.4
73.02832	1.0
78.95798	0.6
83.01234	0.8
85.02820	1.6
87.00732	1.1
88.98665	0.8
89.02302	0.8
96.95882	0.7
97.02804	0.5
98.20570	1.3
99.04419	0.8
101.02306	1.4
109.02900	0.6
113.02331	0.9
113.05972	0.6
121.06424	0.6
125.02373	0.9
125.38751	0.5
130.78575	0.4
135.08015	1.1
135.19487	0.5
136.05193	1.0
137.02397	0.6
137.05951	0.6
137.09613	1.1
148.05229	0.5
149.05966	7.5
150.06769	53.0
151.07143	2.8
155.10706	1.4
161.09616	0.9
162.06786	0.9
163.07552	14.2
164.08356	6.6
165.08609	0.6
171.10147	1.0
173.04489	0.6
174.86909	0.5
175.02486	0.4
176.08313	2.9
177.09067	1.0
178.09933	4.0
179.09123	0.6
179.10703	11.7
180.11021	1.5
188.57907	0.4
193.08644	0.7
193.91182	0.6
205.08524	0.4
222.01114	0.4
265.21710	0.7
279.59357	0.4
283.22693	0.7
289.07321	0.5
327.25443	1.9
329.23297	5.2
430.31122	0.9
445.33237	1.2
447.35086	0.6
448.31842	9.6
449.32083	1.7
462.33331	2.3
463.34329	10.2
464.34659	1.6
490.32916	2.2
491.33774	3.5
501.48230	0.5
508.33835	3.3
509.34875	23.7
510.35403	4.1
521.25397	0.6
533.27039	0.5
641.31598	0.5
644.43750	0.5
651.38898	0.6
653.39709	1.4
669.38251	1.0
671.40491	2.7
713.41168	100.0
714.41553	21.1
714.54547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01248	15.3
60.13168	0.6
61.98695	1.7
71.01250	5.3
71.52377	1.1
71.52721	0.9
75.00758	0.9
87.00747	0.9
87.46185	0.7
89.02302	1.7
97.02850	0.7
97.06440	1.5
99.31905	0.6
101.02332	3.1
113.02289	1.1
121.70296	0.6
123.04424	0.8
123.08058	0.8
125.02327	0.7
125.09606	2.7
127.11149	1.2
137.09610	1.5
152.99484	0.8
161.04463	1.0
163.11217	2.0
163.49123	0.7
171.10185	100.0
172.10524	4.4
185.11754	3.8
191.14366	3.0
207.10265	1.2
209.11787	6.6
211.13383	3.5
225.11366	0.8
227.12724	1.0
235.08121	3.3
245.19078	4.8
253.09261	10.0
263.20169	1.7
277.21729	1.0
289.18109	24.7
290.18521	2.7
293.21451	1.5
307.19107	24.3
308.19525	2.2
309.20950	0.9
327.21790	1.2
407.19229	1.7
429.74881	0.7
668.16705	1.0
757.43768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	2.6
59.01247	8.8
62.19991	2.0
62.64597	2.0
63.64922	1.7
71.01254	100.0
71.52170	2.5
71.54198	1.8
78.95831	1.7
87.00737	2.3
89.02329	3.3
101.02365	3.8
109.06481	3.6
112.98596	2.3
114.18948	2.2
114.93307	22.0
115.00269	11.6
153.10509	2.1
171.10185	67.8
172.10516	3.2
199.09714	8.5
201.11244	10.5
207.10211	13.2
215.12939	2.3
225.11275	7.7
235.08157	3.1
253.09222	8.9
277.21747	79.0
278.22073	6.2
320.70175	2.0
340.62448	2.1
349.28149	2.1
461.20483	3.5
555.73730	2.2
721.42175	2.8
757.43195	11.0
758.43433	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	14.1
61.98700	6.8
69.03337	1.4
69.57664	2.3
69.58071	9.8
71.01254	100.0
73.02815	2.6
78.95764	1.9
85.02823	2.3
87.00736	2.0
89.02329	5.3
89.64666	1.2
92.57314	1.4
97.02850	1.8
97.60238	1.3
99.00774	2.1
101.02334	5.6
107.41879	1.4
109.06478	8.1
113.02304	1.8
125.09606	4.4
127.11204	4.9
137.09633	2.3
152.99484	2.4
155.10690	2.0
163.11163	5.2
168.01218	1.4
171.10176	99.2
172.10527	5.1
181.12308	3.1
199.09706	23.2
199.13359	3.6
201.11285	26.1
207.10184	26.7
208.10474	2.7
211.13385	2.4
225.11255	20.2
235.08238	3.0
243.12215	2.9
251.51643	1.4
251.64131	1.4
253.09317	11.6
277.21722	81.4
278.22052	8.2
293.21295	2.0
327.21823	1.9
435.18753	3.5
461.20178	4.7
721.41626	4.0
739.42755	2.8
757.43781	14.1
758.44153	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	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54715	1.1
58.00464	1.5
59.01254	13.0
61.65334	1.3
61.98703	6.4
65.86253	1.4
70.72765	2.5
70.73112	2.9
71.01253	95.5
73.02810	2.4
83.04931	1.7
85.02822	1.7
89.02313	4.6
99.00718	2.1
101.02327	4.6
109.06459	10.1
109.50071	1.4
113.02303	3.6
119.03474	1.7
125.09582	3.5
127.11180	2.4
135.19504	1.3
137.09576	2.2
145.06944	1.4
152.99490	2.3
153.09109	2.9
155.10591	1.5
161.04401	1.8
163.11218	7.1
171.10181	100.0
172.10532	3.2
181.12277	2.6
199.09691	20.6
199.13316	3.0
201.11269	24.9
207.10193	27.5
211.13281	1.7
225.11304	19.5
235.08168	3.9
253.09233	13.7
277.21713	77.3
278.22028	7.2
363.17212	1.5
435.18588	4.3
461.20200	4.9
721.41583	5.2
739.42542	2.5
757.43506	18.0
757.79254	1.5
758.44519	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84253	1.4
59.01247	9.5
61.98703	4.4
71.01256	69.7
73.02806	1.5
87.00743	2.9
89.02311	2.8
100.00838	1.4
101.02326	5.0
109.06467	3.7
113.02400	1.4
125.09664	1.3
126.00304	1.4
127.11166	1.9
135.08063	1.4
145.04942	1.1
163.11214	2.1
171.10187	42.5
171.11653	2.4
172.10515	1.8
181.12181	1.8
183.31850	1.2
199.09698	8.4
199.13338	2.3
201.11307	8.4
207.10233	10.5
225.11200	5.9
235.08218	5.4
243.12494	1.5
253.09300	7.9
277.21722	100.0
278.22110	10.0
434.03250	1.5
456.70074	1.6
461.20383	1.7
475.85535	1.4
552.19788	1.3
721.41504	3.3
739.42383	2.1
757.43677	10.8
758.43890	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	30.2
137.15816	6.4
209.11765	71.8
222.08398	6.4
227.12822	21.2
235.08224	12.7
249.74780	6.1
253.09201	10.9
277.21719	100.0
278.21973	11.3
314.07965	6.3
759.39551	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	759.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	100.0
68.76466	20.2
71.52201	36.0
71.95967	22.6
73.53497	21.5
167.41618	22.7
211.13306	80.5
246.38719	20.8
293.21188	44.9
442.59909	32.3
472.97595	25.5
616.36383	23.3
787.93060	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03295	0.9
59.01253	7.0
61.98698	8.2
69.03326	0.9
71.01249	3.3
71.52234	1.2
78.64509	0.7
83.01225	0.7
85.02825	1.1
87.00754	1.8
89.02329	1.2
97.02816	1.5
101.02323	2.4
111.08015	2.2
113.02332	2.8
116.92752	0.9
119.03377	1.0
125.02313	1.4
125.51250	0.8
127.11208	1.6
144.88437	1.0
145.04942	1.3
152.92952	0.7
154.38664	0.7
161.04414	1.9
165.12712	1.6
169.12247	1.1
171.10179	100.0
172.10483	3.9
181.12361	0.9
197.11758	12.2
198.12180	0.8
199.13324	0.8
208.53728	0.7
209.11781	4.5
210.12086	1.8
211.13341	3.2
227.12836	2.3
235.08234	5.9
237.75586	0.8
240.78102	0.8
247.20728	0.8
253.09258	12.8
291.19638	16.1
292.19974	1.5
309.20694	37.4
310.20978	3.6
407.19061	3.1
545.29779	2.2
555.63458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
57.03320	0.6
59.01252	14.0
59.98383	0.5
61.98703	1.0
62.38893	0.3
69.03329	0.8
70.91357	0.6
70.91678	0.4
71.01253	6.9
72.99174	0.4
73.02826	7.0
79.05419	0.4
79.20511	0.3
81.03332	0.5
83.01259	1.6
83.04901	2.1
85.02813	1.8
89.02356	0.7
93.03314	0.4
95.01292	0.8
95.04898	0.9
97.02804	0.4
97.47781	0.3
99.00784	0.4
99.04400	17.5
100.04725	0.5
101.02325	7.0
107.04919	0.5
109.02838	0.5
109.06458	0.8
111.04403	0.9
113.02336	3.3
119.03426	0.5
121.06506	0.4
123.04408	0.9
123.08025	0.6
125.02357	2.5
127.03905	1.8
131.03357	0.7
135.04475	0.4
135.08066	1.8
136.01695	0.3
137.02335	0.9
139.07529	0.7
141.09088	0.3
143.03380	0.7
147.11642	0.6
149.04482	0.4
151.03929	0.5
155.03398	0.7
158.03215	0.3
161.02415	0.4
161.04468	1.0
165.05470	0.8
173.04443	0.5
177.09192	0.4
185.13240	0.7
189.96182	0.3
203.05499	1.1
203.14362	11.7
203.16260	0.6
204.14711	0.9
209.11780	0.6
221.15425	36.3
222.15681	2.4
241.19284	0.3
245.15498	0.7
247.13387	1.7
265.14435	100.0
266.14792	8.4
275.02243	0.4
279.34464	0.4
289.07217	1.2
289.14508	3.2
307.15543	3.6
318.27142	0.3
331.15271	0.7
349.16495	0.4
351.21793	1.9
383.24277	0.4
409.18341	0.5
469.20770	19.5
469.31567	0.8
470.21265	2.8
495.29459	0.4
513.26471	0.5
613.36047	0.9
717.37433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.5
59.01242	8.7
59.17490	2.3
61.98708	15.3
71.01249	6.1
71.52433	4.2
79.90110	2.8
80.48643	2.6
83.04893	3.4
88.98703	5.8
101.02318	5.1
102.04052	3.3
102.77439	2.7
116.92754	3.8
123.04462	3.4
125.02369	4.1
137.76686	2.6
161.04521	3.5
163.11278	5.2
171.10188	5.1
179.14304	3.7
195.13864	7.3
205.12378	6.5
209.11772	100.0
210.12073	7.6
211.13400	3.8
223.13358	78.7
227.12888	15.1
235.08235	6.3
247.08517	2.6
253.09297	9.6
275.43823	3.0
282.67758	2.8
449.14639	3.0
459.22421	11.7
460.22318	2.9
509.29349	2.9
633.32635	2.9
651.33960	5.2
677.74609	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	762.392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27520	0.1
59.19370	0.1
60.99194	0.2
61.98703	100.0
62.98404	0.3
65.47672	0.1
69.22285	0.1
71.01279	0.2
71.51046	0.2
88.00268	0.2
88.98689	1.2
89.02362	0.3
103.42188	0.1
120.37039	0.1
125.02326	0.3
138.25204	0.1
143.54617	0.2
166.99451	0.1
171.10184	0.4
172.10585	0.2
173.04565	0.3
180.60141	0.2
191.05502	0.2
214.44321	0.1
277.21677	0.1
289.07150	0.2
782.53363	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	764.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44411	1.3
53.99140	1.5
63.39383	1.4
65.99709	3.9
67.01760	2.7
71.01260	3.0
71.52563	2.2
72.99179	28.1
78.87910	1.5
81.03329	2.1
85.02828	6.4
90.04591	1.5
93.03333	21.6
100.57441	1.6
109.02825	2.5
110.46468	1.6
111.04398	3.7
112.86624	1.5
119.04925	1.7
121.02850	3.0
123.04395	4.4
133.02853	3.8
133.23814	1.5
134.03671	2.2
135.04396	16.1
137.02316	5.6
141.37198	1.5
147.04393	12.5
148.03893	2.0
150.05513	5.5
151.03914	4.9
155.03403	4.3
162.05545	4.4
162.20671	1.4
165.05504	5.0
173.04471	100.0
174.05641	18.0
179.03409	8.9
191.03758	2.6
191.05531	47.1
192.06682	8.4
200.03607	3.5
218.04523	25.5
219.04865	2.7
236.01939	2.1
236.05595	49.5
237.05972	4.3
239.19104	2.1
286.37500	1.9
351.07440	2.2
353.08746	12.7
392.09836	18.6
410.10983	27.1
411.11005	2.7
455.82687	1.8
548.96509	1.6
590.91107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08977	0.1
61.98704	100.0
62.98403	0.2
70.64621	0.1
70.64948	0.2
75.00745	0.2
88.98693	0.4
90.08760	0.1
121.54358	0.1
125.02322	0.2
156.99164	0.1
173.04381	0.1
232.60686	0.1
247.00923	0.1
261.38269	0.1
286.18408	0.1
790.67090	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	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
60.99177	17.5
61.98702	0.7
68.70701	0.2
69.51935	0.2
70.26171	0.2
70.26514	0.6
71.01260	0.4
72.99183	0.2
85.98270	0.2
87.00747	1.9
88.00282	2.4
88.01104	0.3
88.98678	100.0
89.02315	13.3
89.99007	1.0
90.02616	0.2
101.02335	0.3
125.02296	0.4
134.28252	0.2
168.15030	0.2
197.73608	0.2
223.13248	0.2
254.17764	0.2
277.21680	0.5
306.32187	0.2
350.22351	0.2
397.13553	0.8
415.14777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.9
60.99179	16.7
61.98706	3.7
71.01225	0.4
71.51187	0.6
75.87665	0.4
81.66895	0.3
87.00777	1.0
88.00268	2.4
88.98680	100.0
89.02320	9.3
89.98992	0.9
97.89004	0.4
113.08925	0.4
119.49004	0.3
123.57168	0.4
177.43111	0.4
192.89622	0.4
217.64981	0.4
220.88353	0.4
223.13330	1.0
397.13483	0.9
401.17096	0.4
765.39026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13576	0.4
57.63479	0.3
59.01253	8.2
61.98704	3.4
69.03283	0.4
71.01249	1.4
71.52058	0.5
72.99197	1.0
89.02329	0.9
101.02332	1.6
113.02325	0.6
119.03427	0.4
130.84023	0.4
161.04468	0.7
167.14334	0.8
168.41969	0.4
183.13837	5.8
193.12309	1.1
211.13338	100.0
212.13686	5.5
226.45969	0.4
235.08224	1.5
239.03343	0.4
253.09235	2.9
373.66541	0.4
429.21457	1.4
447.22366	11.1
448.22610	1.0
597.32581	0.7
604.37079	0.6
623.34247	3.4
624.34528	0.6
641.35229	2.4
642.35449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	4.3
59.01242	1.1
63.02272	0.9
65.00192	1.1
70.91258	0.6
70.91582	1.3
78.58193	0.6
107.01276	0.6
108.02077	0.8
124.01473	0.7
125.02359	0.9
151.00270	3.8
171.04497	0.6
175.03867	0.7
178.99686	0.7
187.03720	0.6
199.03902	1.9
201.01744	0.8
203.03401	1.0
211.89560	0.6
215.03456	0.7
226.02687	0.7
227.03432	3.3
243.02942	7.1
255.03012	6.2
271.02475	58.6
272.02878	4.6
285.03961	1.8
285.74838	0.7
299.01956	100.0
300.02679	49.7
301.03174	4.3
313.03119	0.9
314.04330	24.0
315.05038	17.0
316.05368	1.3
324.02252	0.9
357.06161	1.0
623.16168	35.1
624.16632	6.0
665.17261	24.2
666.18121	4.2
705.20502	5.6
706.20428	1.0
767.20624	1.8
768.19781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.6
69.03315	0.4
70.53630	1.0
71.01246	2.2
73.02820	0.5
85.02826	0.6
87.00750	0.3
89.02327	1.3
94.22601	0.3
99.47255	0.3
101.02330	1.9
113.02327	0.8
119.03399	0.4
134.84998	0.3
161.04471	0.8
167.14360	0.7
179.05586	0.3
183.13849	5.9
193.12282	1.1
211.13338	100.0
212.13684	6.8
212.74129	0.3
235.08189	1.7
253.09244	6.6
254.09682	0.4
259.20535	0.4
277.21710	57.2
278.22055	5.6
429.21069	0.7
447.16769	0.6
447.22412	6.4
448.22745	1.1
576.59027	0.4
790.90198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
57.34790	0.5
59.01248	1.5
65.00193	1.7
67.01778	0.6
68.95338	0.5
68.99671	0.6
70.56078	0.5
70.93204	1.5
71.01255	1.0
83.01273	1.1
85.02827	0.7
85.43437	0.4
87.85575	0.5
89.02330	0.7
95.01268	0.8
99.00911	0.5
99.04377	0.9
101.02286	1.1
107.01277	1.6
109.02802	0.8
109.99975	11.1
111.00764	4.7
121.02819	0.4
123.00779	2.2
123.04362	0.7
124.01534	0.7
125.02348	1.7
133.02867	1.0
135.04401	0.7
136.98720	1.9
137.02364	0.8
137.99492	5.3
139.00266	14.6
139.03967	0.6
141.98984	1.1
149.02306	0.9
151.00261	6.5
152.01076	1.9
155.04854	0.7
161.02327	1.2
161.04445	1.1
163.00266	1.8
163.03922	0.6
164.01051	1.4
164.98193	0.7
165.01801	0.8
165.98982	18.9
166.99773	5.5
171.04472	0.8
173.04568	0.5
174.03136	0.8
174.88895	0.9
175.03929	1.0
176.01050	0.7
178.99800	10.7
180.00432	0.5
183.04443	0.8
187.03882	1.4
191.05571	0.8
191.65617	0.6
193.98482	1.3
194.99237	1.6
195.99712	0.6
198.03177	1.5
199.03986	2.3
201.01900	2.3
203.03413	2.1
206.99258	0.6
214.02687	1.3
215.03482	1.4
216.04198	1.2
217.01366	0.8
226.02736	1.2
227.03485	4.6
231.02959	2.7
232.03717	1.1
241.01427	0.6
242.02191	3.5
243.02982	6.6
244.03581	2.1
255.03061	3.6
259.02414	2.8
260.03156	0.8
270.01700	6.8
271.02469	32.0
272.02878	4.1
287.01965	23.1
287.19516	0.6
288.02496	4.1
289.02917	0.5
297.04007	0.6
298.01236	0.9
299.01944	28.1
300.02548	4.0
301.03528	2.0
315.01529	4.6
315.04880	0.7
316.02225	100.0
317.02795	14.8
317.38846	0.6
318.03656	0.7
463.08752	0.9
469.15656	1.0
505.09848	1.1
557.43048	0.5
607.12854	0.8
623.91046	0.6
625.14063	51.1
626.14252	7.9
637.21234	1.0
667.15155	32.0
668.15552	4.8
678.78381	0.5
707.18237	11.7
708.18109	1.2
769.18335	29.5
770.18414	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	769.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73247	1.1
57.03320	3.7
59.01248	9.1
63.44402	1.2
65.00196	3.2
66.96625	1.1
70.81981	1.0
71.01263	4.7
73.02868	1.0
83.01266	2.1
84.72987	1.0
85.02870	1.1
89.02325	4.2
93.03363	1.7
98.20643	3.0
101.02382	2.6
107.01284	5.9
108.02116	1.1
109.02840	2.1
109.39777	1.0
113.02340	2.2
119.04910	5.5
121.02850	5.5
125.02316	2.5
137.02380	1.2
143.03439	1.0
149.04486	11.6
151.00270	24.5
163.00331	2.1
163.03925	6.3
165.01799	1.3
169.01385	1.5
178.99797	14.1
191.05560	11.3
198.27409	1.3
200.89462	1.1
211.03926	1.4
226.02705	1.6
227.03517	2.5
230.48051	1.0
243.02946	7.0
255.02977	21.1
256.03351	2.4
271.02475	44.6
272.03000	5.0
273.03796	1.6
295.08261	1.5
299.01959	8.2
300.02750	100.0
301.03482	80.0
302.03796	6.4
305.08701	1.4
317.02957	1.4
364.43637	1.2
383.84238	1.2
401.18039	7.3
449.58911	1.1
463.08823	47.7
464.08969	6.6
505.09866	26.9
506.10327	3.8
545.13068	10.2
546.13745	1.7
607.13013	29.7
608.13556	4.4
625.14197	6.2
667.15338	4.5
769.17999	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	769.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.6
59.01251	4.9
63.02271	1.7
65.00188	3.1
69.23442	2.4
69.23840	7.0
71.01262	2.9
74.64803	1.0
80.73658	1.0
83.01263	2.1
85.02834	2.6
89.02337	2.0
93.03366	1.3
103.39168	0.9
107.01292	5.7
109.02892	1.5
119.04911	1.9
121.02843	4.6
125.02316	2.6
134.61057	0.9
135.04428	0.9
137.02405	1.5
148.01530	1.3
149.04474	4.2
150.99138	1.8
151.00273	25.6
152.00752	1.1
154.74416	1.0
163.00262	2.1
163.03917	3.3
163.58340	1.0
164.01015	1.2
169.01375	1.0
173.04520	1.2
178.99776	13.8
191.05548	5.6
242.05772	1.0
243.02982	5.8
243.05092	0.9
244.03271	1.4
245.04581	1.9
254.02011	1.5
255.02953	20.7
256.03452	1.9
257.08240	1.8
271.02466	42.6
272.03003	4.1
273.03928	1.1
283.02524	1.6
299.01910	8.8
300.02734	100.0
301.03482	81.0
302.03821	6.9
305.08597	1.2
317.03000	1.2
401.18195	2.0
463.08810	59.8
464.09174	7.2
505.09964	30.4
506.10284	4.0
545.12891	9.8
589.12231	1.0
607.13062	32.5
608.13324	4.0
625.13831	5.5
626.14221	1.5
667.15405	6.2
769.17346	7.4
770.18500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2193
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.01261	5.9
63.02265	1.3
65.00199	1.1
70.89977	1.5
70.90324	0.9
71.01249	2.5
77.03529	0.6
77.12646	0.6
83.01263	1.2
83.94164	0.5
85.02814	1.0
92.13306	0.8
101.02328	1.3
106.04289	0.6
107.01273	2.2
125.02312	1.1
137.02313	0.7
139.05380	0.7
143.04953	0.8
145.02899	0.9
151.00294	9.4
151.01404	1.2
152.00920	0.8
155.10704	1.0
161.02303	0.9
171.04474	1.6
178.99788	2.9
183.04434	2.4
187.03889	1.1
191.05621	1.4
193.01195	0.9
199.03934	7.4
199.09651	0.7
201.01816	1.2
201.09271	0.7
203.03456	0.9
211.04018	0.9
215.03430	3.0
227.03485	7.3
227.07056	4.6
228.03989	0.8
242.02217	4.6
243.02966	34.6
244.03397	2.6
255.02971	12.8
257.04608	4.5
270.01733	3.4
271.02481	42.9
272.02719	3.6
284.03195	0.9
285.04047	10.2
286.04758	4.5
287.05490	1.3
299.01968	83.2
300.02612	19.0
301.03464	4.6
313.03436	2.6
314.04309	73.1
315.04993	18.5
316.05389	1.4
339.05109	0.9
357.06140	1.0
367.21295	1.0
463.08875	2.7
505.09946	1.2
521.17682	1.8
605.14288	0.7
625.14209	1.9
769.21973	100.0
770.22406	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	769.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.5
56.02168	1.2
57.03331	8.8
58.00469	2.7
59.01251	100.0
60.01589	1.9
61.98700	5.9
67.01772	5.3
67.37650	1.2
68.99679	2.1
69.03323	16.5
70.47160	1.3
71.01252	52.0
71.04881	5.2
71.30768	2.2
72.99181	5.0
73.02811	14.8
75.00762	2.6
78.95775	1.4
80.64523	1.5
81.03342	3.9
83.01248	10.1
83.04927	1.9
85.02821	19.8
87.00762	9.1
89.02311	29.1
90.98466	1.5
93.03342	6.1
95.01273	5.8
95.04891	3.9
97.02819	8.0
97.06499	2.0
99.00771	6.9
99.04396	2.4
101.02321	30.2
105.03334	1.5
107.04931	4.2
108.80110	1.6
109.02850	6.1
109.06478	4.0
111.00797	2.6
113.02337	24.3
119.03401	9.4
121.02837	4.9
121.06474	3.4
123.04407	6.3
123.08038	6.0
124.01493	2.1
125.02334	27.6
126.02657	1.8
129.01820	1.5
131.03398	1.7
133.06528	1.9
135.04408	5.3
135.08086	1.6
137.02338	10.5
138.03084	1.3
139.03931	1.8
141.01785	1.9
143.03378	4.3
143.04453	1.4
149.02321	2.8
149.05968	2.9
150.03174	2.1
151.03908	13.4
151.07549	8.9
155.90967	1.3
159.04298	2.0
161.02356	5.9
161.04478	6.5
161.05913	2.3
163.00212	2.2
163.07533	1.6
164.01070	3.8
164.20575	1.3
165.01840	5.2
166.02411	2.2
167.03439	5.4
173.04445	4.7
174.01639	1.9
175.02437	1.9
175.03856	2.8
175.07544	4.4
176.01100	1.7
177.01828	6.4
177.09129	2.3
179.03323	6.7
179.05566	3.4
179.10670	2.2
185.00870	7.1
187.03972	1.9
191.05548	4.4
192.56107	1.4
194.05789	2.8
203.03488	1.4
203.07034	1.6
209.08134	4.6
209.11842	2.0
211.13380	2.0
211.44957	1.7
215.14366	1.9
219.06485	1.8
223.09677	2.0
243.10144	1.7
243.13585	1.5
245.08167	3.2
251.16321	1.6
257.11987	1.5
261.11380	1.4
269.11920	2.8
269.21149	1.7
273.11298	3.8
285.11304	3.2
287.12955	2.0
289.07166	13.7
290.07452	3.3
303.12201	8.1
306.07715	2.9
331.11853	38.4
332.12186	5.1
341.26938	2.5
359.28149	4.6
370.24228	1.5
375.10831	61.5
376.11063	8.0
376.21948	1.5
391.10263	2.4
393.12045	3.6
407.07593	2.2
422.14709	1.4
443.30023	1.5
465.31403	1.6
465.70959	1.6
485.30826	2.6
503.32278	15.3
504.33075	2.5
519.31226	2.2
520.31683	1.7
521.27228	2.5
521.33221	15.2
522.33496	2.7
534.95807	1.6
539.28723	3.8
545.32361	4.4
563.34308	16.2
564.34753	3.6
665.37408	31.9
666.37817	6.3
683.38477	31.1
684.38879	5.9
725.39685	40.5
726.40021	7.7
769.41351	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03320	3.1
59.01247	9.6
61.98700	6.5
67.54781	0.7
69.03331	3.9
69.86749	0.7
70.50895	2.5
71.01245	7.4
71.04884	1.3
73.02811	1.8
83.01287	0.7
83.04895	1.2
85.02824	8.2
87.00755	1.9
89.02306	4.9
95.04897	1.7
96.08062	0.7
97.02843	2.1
97.06465	3.5
99.00750	1.0
101.02335	7.3
103.83066	0.8
105.74114	0.6
109.02857	0.7
111.38172	0.8
113.02323	4.4
119.03418	2.1
123.04448	0.7
125.02365	1.5
125.09601	1.8
127.11180	1.4
137.09619	2.2
149.09586	1.3
155.10704	1.5
161.04472	3.3
163.11142	1.2
167.10686	2.6
167.14355	0.7
171.10173	25.1
172.10570	1.2
177.12781	1.9
179.03320	0.7
179.05394	0.8
179.10649	1.7
179.14320	3.7
183.13770	1.9
185.11717	1.0
193.12413	1.0
195.13832	11.6
196.14241	0.8
197.11798	2.1
197.15446	0.7
201.11258	1.9
203.10727	1.4
205.12251	10.7
207.10214	1.4
209.11775	5.6
210.26254	0.8
211.13351	15.6
212.13635	0.8
215.50479	0.8
221.11746	3.2
223.13347	100.0
224.13658	7.0
225.11308	2.5
227.12854	2.1
229.14421	10.6
233.20869	0.8
235.08186	15.0
236.08405	1.1
239.12909	2.1
247.20732	0.9
253.09241	26.6
254.09595	0.8
289.18048	2.2
291.19565	5.2
303.13220	0.7
307.19193	2.6
309.20724	14.5
327.21753	95.7
328.22089	8.6
459.22357	14.8
460.23059	1.4
533.34766	2.8
545.29889	2.6
563.30792	6.0
564.30786	1.3
769.41150	2.8
770.41412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00221	0.8
57.03323	1.3
59.01252	6.3
61.98702	2.8
71.01248	4.7
73.02801	1.4
78.95786	1.1
80.77013	0.9
81.03316	1.3
83.01286	0.9
83.04903	3.9
85.02848	1.1
87.00768	1.2
89.02312	2.7
93.03349	0.8
101.02347	3.2
111.08038	8.1
113.02327	2.1
125.02361	2.7
135.08078	0.9
145.04832	0.9
161.04457	1.7
163.11194	5.5
165.12793	2.8
167.03444	1.6
167.10675	1.9
171.10202	2.5
177.12741	1.3
179.10704	1.9
191.10797	1.2
195.13824	4.2
197.11890	1.6
209.11774	100.0
210.12111	6.2
211.13277	1.7
225.11343	0.9
225.14938	0.9
227.12828	16.0
229.46826	1.0
235.08199	3.4
241.14441	1.2
247.20761	1.9
253.09245	9.5
273.18616	1.3
291.19672	86.8
292.19995	10.1
323.22281	7.9
341.23291	4.2
352.03873	1.0
415.62820	0.8
419.16855	0.8
445.20767	1.1
527.28497	6.8
528.28857	1.9
648.86670	0.9
769.40131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.4
61.98704	100.0
69.95129	0.4
69.95518	0.3
78.95818	0.2
82.34558	0.1
97.20764	0.1
125.98996	0.2
186.80511	0.2
211.13364	1.2
212.13727	0.9
213.13931	0.3
248.32272	0.2
277.21735	0.5
278.22165	0.7
295.22974	0.2
411.90820	0.2
496.50333	0.2
770.49268	0.4
771.43506	0.2
790.60468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81479	0.9
59.01242	1.5
63.02266	1.4
65.00195	2.4
69.72691	5.1
71.01248	1.1
71.34318	0.8
83.01253	2.0
93.03329	3.8
98.93419	0.9
107.01269	6.3
109.02822	2.3
121.02820	4.6
125.02305	1.6
134.03505	0.7
135.04384	1.7
137.02328	1.4
138.77339	0.8
151.00267	22.9
152.00731	1.2
163.00233	1.5
169.01318	1.3
173.04486	12.8
173.05928	0.9
178.99789	11.0
187.04008	1.0
189.38469	0.9
191.05527	2.7
193.04901	1.6
211.03929	1.0
222.96785	0.9
227.03363	2.1
243.02919	6.6
254.02071	1.3
255.02963	19.3
256.03268	1.3
271.02478	40.6
272.03003	3.9
273.03964	1.2
299.01959	3.1
300.02744	94.3
301.03488	66.4
302.03842	5.5
306.07690	1.6
353.08862	0.9
361.16470	3.3
367.10321	2.7
398.06998	1.0
463.08804	9.2
464.09372	1.0
523.20459	1.3
565.22430	1.3
609.14594	100.0
610.14935	13.3
771.19946	5.2
772.20538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06712	0.5
63.02264	0.8
65.00183	0.9
83.01288	1.1
107.01272	2.0
108.02067	2.0
111.39422	0.5
121.02901	1.0
135.00769	1.4
143.04543	0.9
148.01587	1.5
151.00288	6.4
163.00317	1.1
163.03958	0.6
164.01093	0.6
169.01424	0.8
174.43146	0.5
178.99805	4.7
187.03870	0.6
199.04027	0.7
211.03859	0.7
215.03395	1.0
216.04268	0.6
226.02658	2.0
227.03569	2.8
243.02969	12.2
244.03334	0.9
254.02121	1.7
255.02983	31.5
256.03351	2.1
271.02481	67.7
272.02994	5.5
273.67273	0.6
289.07083	0.8
299.02042	3.7
300.02744	100.0
301.03290	11.7
306.07635	1.6
609.14636	3.7
771.19855	48.3
772.20306	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22695	0.9
59.01252	0.8
63.02261	1.7
65.00198	2.2
71.01224	1.0
83.01266	1.8
85.02834	0.8
89.02303	0.8
93.03313	3.0
107.01286	4.7
109.02795	1.8
113.89260	0.7
121.02829	5.2
122.03610	0.9
128.03397	1.4
134.03615	1.5
135.24963	0.9
137.95842	0.9
143.04495	0.9
148.01619	1.0
151.00273	20.1
153.01915	1.0
155.10605	1.1
163.00218	1.9
164.01013	0.8
169.01317	1.3
173.04471	12.2
178.99785	9.4
183.04398	1.1
191.05513	2.0
193.01271	1.2
199.03909	0.8
203.03430	0.8
211.01309	0.8
211.03819	1.4
226.02643	1.1
227.03424	1.6
243.02960	5.9
245.04475	1.0
254.02267	1.9
255.02940	17.6
256.03363	1.3
257.04626	1.1
271.02475	39.4
272.02863	3.4
299.01984	2.5
300.02740	69.5
301.03497	54.4
302.03864	4.5
306.07568	3.1
343.04370	1.1
353.08478	1.2
361.16464	4.5
365.14624	1.3
367.10159	3.0
434.26596	0.9
463.08951	9.1
464.08832	1.0
523.20282	1.2
609.14575	100.0
610.14899	12.6
640.48468	0.9
771.19403	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	771.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45173	8.6
61.98705	100.0
70.45328	7.5
71.01239	37.9
75.09225	7.7
78.95792	9.3
87.00722	20.8
89.34621	7.9
98.20695	10.3
110.98421	7.9
125.02320	14.2
133.79442	8.8
171.10156	28.4
177.44054	8.4
197.11803	12.2
201.11261	17.3
209.11678	15.2
211.13350	19.8
223.13388	41.5
225.11316	18.3
229.79288	9.3
253.09297	15.4
277.21573	10.5
291.19666	15.7
293.21240	64.3
301.12448	9.0
311.30551	9.6
327.21811	10.4
459.22159	11.9
556.12225	10.5
771.41754	41.3
772.41125	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	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
58.00463	0.3
59.01247	5.2
61.98704	3.4
69.03319	0.9
71.01253	4.9
71.04886	1.2
71.51663	0.3
72.99140	0.4
73.02813	1.0
80.02551	1.7
81.03333	2.0
83.01261	0.7
83.04900	5.3
84.02037	0.8
85.02834	1.6
85.06446	0.5
86.60641	0.2
87.00743	1.0
87.04366	0.3
89.02313	2.2
91.05389	0.3
93.03315	0.8
95.01263	0.5
95.04904	1.1
96.95875	0.9
97.02814	0.8
97.06462	2.1
99.04433	0.4
101.02318	2.9
105.31770	0.2
106.04128	0.3
107.04911	0.5
109.02857	0.3
109.06480	6.7
111.00727	0.3
111.04398	0.4
111.08018	0.4
113.02338	2.4
113.05920	0.3
115.07529	0.3
115.99377	0.3
119.03407	0.8
121.02964	0.2
123.04385	0.3
125.02338	1.0
125.05966	1.0
125.09592	0.9
127.07551	1.3
127.11118	0.4
131.03435	0.3
135.08047	0.7
137.02332	0.3
143.03387	0.4
147.11740	0.3
149.09612	0.4
151.11230	0.4
153.09056	1.8
153.12764	0.6
157.05029	0.3
161.04520	1.3
161.05685	0.3
163.11197	3.8
165.12761	2.8
169.12231	1.5
171.10185	6.6
172.10515	0.5
173.04465	0.4
179.05499	0.6
181.12280	1.3
183.13866	0.4
185.11803	1.0
191.10733	1.1
193.12296	0.7
197.11766	9.4
198.12169	0.5
199.13341	1.1
201.11284	1.2
207.10245	1.2
209.11769	100.0
210.12083	6.3
211.13356	7.8
212.13730	0.3
219.13841	0.3
221.11746	0.3
225.11249	1.8
225.14836	0.4
225.46358	0.3
227.12842	13.8
228.13168	0.7
235.08162	3.6
235.13423	1.6
237.14896	1.4
245.19118	0.6
249.14909	0.7
251.16466	0.3
253.09270	11.8
254.09714	0.6
267.15961	0.5
273.56134	0.3
289.18127	5.8
290.18695	0.4
291.19470	0.6
305.03186	0.3
307.19131	8.2
308.19504	1.0
309.20651	2.5
325.20200	27.3
326.20462	3.1
327.21967	0.6
341.23489	0.9
445.20908	1.1
463.21799	0.3
479.30075	0.3
517.31689	0.4
523.29175	0.4
525.26935	0.6
543.28113	1.7
561.29114	1.2
666.31885	0.3
684.33264	0.5
735.39697	0.7
753.40747	0.9
771.42041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.6
59.01254	13.8
61.98703	10.1
69.03320	1.6
70.73311	3.1
71.01255	9.7
71.04890	4.1
73.02812	2.5
77.30676	1.3
80.65182	1.4
83.01244	2.3
85.02813	3.2
87.00751	2.5
89.02316	5.1
93.03255	1.1
95.04867	2.3
96.95892	6.2
97.02812	6.1
97.06454	5.7
97.90212	1.2
99.00759	18.0
101.02316	6.2
109.06438	3.8
110.03634	1.7
111.08082	1.8
113.02331	3.9
119.03420	1.2
121.06478	1.6
125.02357	2.2
125.09602	6.8
126.25477	1.2
139.11182	1.6
163.11186	12.1
167.10655	1.7
171.10204	23.4
172.10558	1.7
179.10745	2.5
181.12279	17.8
183.13832	2.1
193.12334	2.4
195.13916	2.5
197.11746	11.2
199.13303	15.1
201.11229	1.9
207.10231	34.6
208.10527	2.7
209.11829	12.4
211.13361	14.3
223.61935	1.4
225.11285	56.4
225.14726	2.7
226.11652	4.2
227.12830	4.2
235.08307	4.2
243.12361	31.0
253.09221	11.0
291.19559	8.7
309.20676	18.0
310.20944	1.9
325.20239	4.5
327.21710	3.3
341.23325	5.3
436.43146	1.4
461.20300	8.9
479.21237	8.8
578.51215	1.8
771.41669	100.0
772.41943	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03009	0.9
57.03320	3.0
59.01254	9.5
59.06405	0.9
61.98685	3.3
69.03313	2.5
71.01256	10.8
71.04898	4.5
71.52401	1.1
71.52736	1.6
73.02786	1.2
76.90282	0.9
78.95793	1.2
81.03306	1.1
83.01250	1.3
83.04905	2.0
85.02814	2.7
87.00726	1.6
89.02322	2.8
95.04900	2.2
96.95886	5.5
97.02820	6.9
97.06454	4.0
99.00759	20.0
101.02312	6.3
109.02777	1.1
109.06474	3.7
110.03674	1.0
111.08051	5.2
113.02338	4.6
116.92754	1.3
119.03354	1.1
123.08071	2.5
125.02310	1.3
125.09624	10.2
127.11134	1.6
130.79828	0.9
135.08101	1.2
137.02342	1.6
138.41344	0.9
142.02621	1.3
153.12726	1.9
155.10689	1.5
161.04449	2.1
161.09579	2.3
163.11205	14.6
165.38118	1.0
169.12201	3.2
170.62088	1.0
171.10181	20.3
172.10533	1.1
179.10576	1.4
181.12263	19.5
183.13818	3.3
190.59750	1.0
197.11766	25.9
199.13321	12.5
201.11353	5.0
207.10204	32.5
208.10542	2.0
209.11803	19.1
210.12071	1.1
211.13354	10.1
225.11276	48.8
226.11615	3.0
227.12781	3.4
235.08168	3.6
243.12325	18.6
253.09279	8.6
289.18088	2.3
291.19656	6.7
307.19009	2.8
309.20685	19.1
310.21213	2.5
310.90060	1.1
325.20154	3.4
327.21719	3.1
341.23343	3.3
461.20306	5.3
479.21353	4.6
545.29205	1.4
660.88531	1.1
753.40729	2.7
754.40790	1.3
771.41681	100.0
772.42004	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48882	1.4
59.01252	5.3
61.98701	5.6
71.01259	7.4
71.51714	2.3
73.02848	1.6
80.02536	1.5
81.03311	1.5
83.04906	4.5
84.02055	1.4
85.02844	2.5
87.00742	3.4
88.98672	2.1
89.02287	2.9
96.95845	2.0
101.02329	4.7
109.06510	2.3
113.02316	2.5
116.41548	1.3
118.00227	1.6
125.02337	3.9
125.09617	1.9
126.79181	1.6
163.11220	4.0
165.12743	2.4
167.03476	1.6
171.10141	5.3
171.75774	1.3
172.99152	1.4
180.82767	1.4
195.13828	5.0
195.57857	1.4
207.10229	5.1
209.11766	100.0
210.12085	6.1
211.13361	10.9
223.13303	5.2
225.11325	2.1
225.14946	1.7
227.12860	15.5
235.08200	2.4
253.09305	22.6
259.15448	2.3
275.20258	6.2
289.07376	1.6
291.19818	2.2
293.21222	83.4
294.21555	9.6
309.20593	3.3
327.21902	2.9
341.23389	4.8
397.82565	1.7
771.41779	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	772.449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98703	100.0
62.18708	0.2
71.06120	0.1
95.08982	0.1
96.81754	0.1
125.72420	0.2
158.19717	0.2
160.74496	0.1
167.99113	0.1
195.13818	0.1
200.16023	0.2
213.14940	1.0
214.15218	0.7
255.29155	0.2
277.21832	0.5
278.22125	0.7
279.22552	0.3
280.22858	0.2
311.22693	0.2
325.30096	0.2
498.96957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.5
59.01250	100.0
61.98709	1.1
62.37277	0.6
67.74347	0.6
69.03328	1.8
71.01255	41.7
72.01605	0.8
72.99193	1.4
73.02820	31.7
75.00765	1.1
75.74755	0.6
75.95380	0.6
77.51672	0.7
81.56674	0.6
83.01253	11.1
85.02820	9.2
87.00767	2.5
89.02317	16.1
90.02649	0.7
95.01279	2.9
96.95894	1.4
97.02837	1.2
99.00773	0.9
101.02320	34.7
102.02695	0.7
109.02830	0.8
113.02332	26.1
119.03391	7.0
125.02322	3.4
131.03401	4.3
143.03410	6.4
149.04425	3.6
150.06770	0.8
150.98247	0.6
151.07539	0.6
155.03465	1.9
155.10680	0.8
161.04474	9.6
162.04849	0.7
163.07571	0.8
166.12010	0.8
173.04491	0.8
176.08371	0.9
179.05557	5.3
203.05586	1.1
221.06659	1.4
300.03061	0.8
343.35849	0.7
467.68335	0.7
537.24719	0.8
565.30499	1.3
583.31201	6.8
601.32275	4.2
602.32507	1.2
625.32550	2.2
626.33417	0.9
643.33173	4.4
644.33832	1.9
654.70947	0.8
729.40161	3.8
773.30524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.9
57.03329	1.1
58.00473	2.0
59.01252	100.0
60.01582	1.2
61.98714	1.1
62.43995	0.7
69.03337	2.2
69.50461	4.7
71.01256	50.3
72.01584	0.6
72.99194	2.7
73.02821	23.2
75.00777	0.7
77.03093	0.6
81.03336	1.3
83.01251	8.5
85.02825	14.3
86.03157	1.1
87.00744	4.2
89.02320	19.2
89.02835	1.1
95.01280	5.1
96.95905	1.1
97.02847	1.7
99.00738	1.4
99.04390	1.1
101.02329	30.9
113.02335	34.6
114.02722	0.8
119.03405	7.4
123.00778	0.8
124.01485	0.8
125.02347	4.3
130.23737	0.6
131.03419	3.0
137.02339	1.3
138.44238	0.6
139.07567	0.8
143.03419	6.0
149.04419	3.5
151.07526	1.0
155.03453	1.0
161.04471	11.4
179.05563	5.1
203.05550	0.8
209.11824	1.8
221.06671	0.9
253.09378	0.7
327.21744	0.9
463.26672	3.2
481.28024	1.2
525.30609	6.5
531.33850	0.7
547.29486	1.0
565.30243	5.2
566.30634	1.2
583.31274	22.2
584.32043	2.8
601.32184	8.7
602.33185	1.7
625.32129	5.6
626.33032	1.3
643.33270	9.8
644.34204	1.8
729.39154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21547	0.2
59.01234	0.4
60.38023	0.2
61.98690	0.4
63.66552	0.2
70.01486	0.8
70.01864	0.4
71.01260	1.5
73.58919	0.2
78.95775	4.7
79.95610	3.1
84.60921	0.2
85.02841	0.2
89.02307	0.2
94.97984	0.4
96.00793	0.2
96.95889	100.0
96.96781	6.0
98.02351	0.6
101.02328	0.4
105.43768	0.2
110.57191	0.2
171.10210	1.1
211.13380	1.2
212.13716	0.5
253.09178	0.3
277.21725	0.9
293.21237	0.3
299.15244	0.2
341.23285	0.3
361.04575	0.4
397.13589	0.5
407.17276	0.3
415.14539	0.3
435.08023	0.7
453.09131	0.9
493.10995	0.2
591.92572	0.2
713.30286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
55.69896	0.3
57.03335	1.7
58.00458	0.3
59.01251	5.6
61.98700	1.8
69.03324	1.6
70.60886	0.3
71.01250	5.0
71.04893	0.5
71.06699	0.7
72.99198	0.5
73.02823	1.8
78.63709	0.3
78.95780	0.6
80.02543	0.9
81.03330	1.2
83.01253	1.1
83.04898	4.7
84.02032	0.8
85.02822	6.3
85.03300	0.6
87.00768	1.7
89.02325	2.8
91.03913	0.3
93.03345	0.4
95.01281	0.9
95.04910	0.9
96.33010	0.3
96.95885	2.4
97.02852	1.6
97.06460	1.9
99.00757	0.6
101.02325	4.9
109.02819	0.4
109.06458	0.6
113.02325	2.4
116.92751	0.6
119.03394	0.6
123.04375	0.5
125.02346	1.7
125.05975	0.8
125.09600	0.6
127.11189	1.0
135.08041	0.9
137.02345	0.4
137.09621	1.8
139.03893	0.4
143.03377	0.6
145.04996	0.6
149.89893	0.3
151.07536	0.5
152.99567	0.3
155.10696	0.8
161.04433	1.8
163.11217	3.5
165.12766	2.9
167.03310	0.3
167.14343	0.3
171.10182	19.1
172.10567	1.0
179.05577	0.4
181.12274	0.8
183.13904	1.7
185.11754	0.5
191.10712	0.6
193.12315	0.7
197.11809	0.4
199.13306	1.0
201.11259	1.5
209.11775	100.0
210.12122	4.9
211.13348	8.0
212.13670	0.5
220.97606	0.3
221.11835	1.3
227.12845	12.6
228.13136	0.9
229.14444	5.4
235.08174	7.1
239.12869	0.8
246.28023	0.3
247.20703	0.6
253.09280	18.9
253.21527	0.6
254.09691	0.8
255.02904	0.4
284.03329	0.4
289.07321	0.7
291.19641	3.2
292.19824	0.5
309.20691	6.9
310.21109	0.4
327.21768	61.1
328.22101	5.4
437.33038	0.7
445.20502	1.4
463.21680	0.4
481.31418	0.7
507.32971	0.5
519.33228	0.9
520.33478	0.3
524.29816	0.4
525.30096	0.9
545.29608	1.2
563.30823	2.9
564.30951	0.8
729.38019	1.1
773.44720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90646	0.6
59.01248	11.3
61.98695	2.8
69.03330	1.5
69.43808	5.2
71.01262	5.7
72.99238	0.6
73.02821	2.0
78.95774	1.8
83.01231	0.9
83.04878	3.8
85.02843	6.0
87.00729	1.7
89.02310	3.2
95.04933	1.6
96.95889	3.2
97.02814	1.1
97.06477	1.6
101.02338	5.8
109.02853	0.9
109.06483	1.1
113.02326	2.9
116.92754	2.6
118.56635	0.9
119.03416	1.4
123.04392	0.8
123.95415	0.8
125.02335	2.4
125.05914	0.9
125.09599	1.3
127.11182	1.1
135.08118	1.0
137.02269	0.7
137.09641	1.4
145.04976	0.9
149.73958	0.8
155.10658	1.1
161.04439	2.0
161.05679	0.7
163.10019	0.8
163.11188	4.6
165.12733	3.1
171.10178	14.6
177.12791	1.0
183.13866	2.0
185.11691	1.2
199.13350	1.1
201.11302	1.2
206.59468	0.7
209.11775	100.0
210.12137	5.3
211.13339	11.3
212.13725	1.2
221.11749	1.8
227.12851	15.3
228.13269	0.8
229.14375	6.7
235.08165	8.2
239.12779	1.5
253.09290	18.6
289.07126	1.3
291.19742	3.4
305.27426	0.8
309.20694	7.0
327.21765	59.8
328.22345	4.9
343.21317	1.2
413.00244	0.8
445.20944	1.1
481.31174	0.9
519.33484	1.2
525.34015	1.3
537.24457	1.2
545.29993	1.6
563.30914	2.1
729.37976	2.6
773.45496	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81620	100.0
85.69453	22.1
98.19766	18.9
102.71497	21.5
114.91631	20.5
123.66109	21.2
175.56241	23.3
211.13307	48.8
252.54042	18.2
277.21710	40.0
280.30493	18.9
359.78235	22.7
359.93268	21.7
389.55151	20.1
401.19098	21.9
447.21765	22.2
492.10687	20.3
528.81543	20.7
571.61176	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18020	4.4
59.01262	5.7
61.98688	14.3
65.96909	5.1
66.65018	5.0
71.52598	8.1
78.95792	8.0
101.02305	5.6
108.21710	4.2
109.28106	4.4
110.86081	4.4
125.02333	19.3
162.66835	4.8
171.10283	5.6
195.53972	5.0
199.28679	5.5
201.11261	41.9
204.66559	4.6
209.11755	62.3
227.12833	23.5
235.08240	10.8
247.13455	5.5
253.09232	16.6
277.21719	100.0
278.21994	7.1
289.07199	8.8
293.21198	10.2
445.20554	6.2
501.23050	5.8
513.31030	7.5
537.77063	4.7
643.33813	5.7
721.92792	5.2
777.41986	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85493	0.6
58.80113	0.5
59.96604	0.5
61.84590	0.6
62.27179	0.5
63.02267	1.8
65.00196	9.6
69.26524	5.2
69.26943	1.2
71.01266	0.7
77.47340	0.5
83.01257	5.3
87.00729	0.6
102.37171	0.7
102.49639	0.6
107.00536	1.0
107.01270	17.5
115.00272	1.1
119.48589	0.7
135.00734	0.6
151.00272	98.3
152.00592	3.4
163.00314	0.7
169.01317	1.9
178.99780	100.0
180.00143	3.7
201.01860	0.9
206.99185	0.6
215.03352	0.7
243.02892	1.0
249.97537	0.6
255.02962	0.6
271.02441	3.4
287.02112	1.3
299.02054	1.9
300.02762	2.6
301.03336	1.1
315.01450	25.3
316.01788	2.6
463.08945	3.1
476.67026	0.6
490.30228	0.9
769.67572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	21.4
69.03327	2.0
71.01250	3.1
71.04893	0.9
73.02827	0.6
83.04927	0.4
85.02802	0.7
85.06442	0.5
87.00768	0.4
89.02317	2.6
95.01262	0.4
101.02318	2.8
109.06451	0.8
113.02320	2.0
119.03381	0.8
125.09621	0.3
129.75218	0.3
143.03442	0.4
149.09641	0.5
161.04482	1.3
161.13307	0.7
167.10718	2.4
177.12785	0.9
179.05574	0.8
179.10724	0.7
179.14304	3.2
195.12067	0.4
195.13853	8.6
196.14124	0.4
205.12282	9.5
206.12766	0.7
223.13353	100.0
224.13655	4.9
230.29837	0.5
235.08215	3.6
248.53595	0.4
253.09279	8.1
277.21716	79.3
278.22076	6.3
416.37967	0.5
441.21289	2.5
459.22363	14.3
460.22546	1.7
513.30725	0.7
719.43378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
55.84724	0.4
57.03326	0.6
59.01250	17.2
61.98711	1.9
64.14331	0.4
67.94640	0.4
69.03323	0.8
70.43851	0.4
70.44191	1.3
71.01254	5.0
71.04889	0.4
73.02834	1.1
80.96389	1.8
81.03333	0.5
83.01260	1.1
83.04887	0.6
85.02834	0.9
87.00741	0.9
89.02320	2.2
97.02828	7.0
97.06470	0.9
99.00754	9.4
99.01358	0.7
101.02316	2.5
107.44201	0.4
109.06472	1.7
110.03626	1.1
113.02357	2.0
119.03394	0.5
123.04384	0.5
123.08042	0.5
125.02322	1.2
125.09615	2.8
130.36266	0.4
135.08017	0.9
136.05183	0.9
142.02661	2.1
143.19730	0.5
161.04451	1.4
161.09645	0.6
163.09840	0.6
163.11191	8.5
179.05560	0.8
179.10605	0.6
181.12265	17.4
182.12645	0.7
197.11777	1.0
199.13329	1.3
207.10199	49.2
208.10567	2.8
225.11275	100.0
226.11584	7.4
235.08171	1.3
239.12892	0.5
243.12329	10.6
243.14726	0.7
253.09235	2.6
277.21713	81.3
278.22006	7.9
281.13718	0.5
299.14972	0.9
317.16034	0.7
443.19202	3.8
461.20261	41.8
462.20551	4.1
721.41681	24.1
722.41840	5.6
781.40491	1.8
782.41235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03299	0.4
59.01255	12.3
61.98708	3.3
71.01262	3.7
71.04885	0.5
72.99169	0.4
73.02821	0.6
80.96399	1.5
83.01257	0.6
85.02822	1.1
86.69353	0.3
87.00760	1.2
89.02316	1.6
97.02843	4.3
97.06458	1.1
99.00758	7.2
101.02323	3.4
109.06490	0.6
110.03621	0.7
113.02319	1.2
125.02364	0.8
125.09644	2.2
135.07994	1.0
136.05144	0.4
142.02585	1.5
145.04956	0.5
151.28708	0.3
161.04477	0.7
163.11197	4.1
179.05528	0.5
181.12259	7.8
182.12666	0.6
197.11728	0.4
199.13231	0.7
207.10210	26.8
208.10538	1.8
225.11275	55.3
226.11606	3.0
233.22697	0.4
235.08142	3.3
243.12369	7.7
244.12633	0.6
253.09247	3.7
259.20856	0.4
277.21719	100.0
278.22015	10.1
333.84412	0.4
407.03009	0.4
443.19193	4.8
444.19385	0.7
461.20282	6.1
462.20874	0.7
498.32257	0.4
513.30920	0.7
577.37781	0.8
721.41687	20.8
722.41980	5.4
781.40472	2.2
782.41138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
61.98702	100.0
62.98402	0.2
62.99140	0.1
70.25898	0.3
80.96386	0.3
121.45715	0.1
159.12077	0.1
206.12558	0.1
223.13313	0.8
224.13730	0.7
225.14125	0.2
226.14272	0.1
253.09442	0.1
277.21851	0.4
278.21957	0.5
279.22449	0.3
312.59207	0.1
460.22549	0.1
461.23267	0.1
782.41260	0.2
783.41797	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.9
59.01250	7.6
60.53695	0.5
61.98697	1.6
69.03325	2.7
69.99881	1.7
71.01253	5.3
71.04900	0.6
71.70524	0.4
73.02798	1.1
81.03358	0.5
82.77388	0.4
83.01257	1.2
83.04896	1.2
84.02042	3.5
85.02827	1.6
87.00768	1.2
89.02309	4.3
93.03378	0.6
95.04857	0.6
96.95889	1.5
97.02845	1.5
97.06467	6.5
98.19862	0.5
99.04391	1.2
101.02319	4.6
113.02327	2.9
119.03400	1.0
121.71315	0.5
125.02373	1.1
125.09634	1.0
127.11208	0.5
137.09622	0.8
145.04941	0.4
149.09607	1.2
149.13248	0.5
151.04054	0.5
151.11092	0.7
161.04442	2.0
161.13289	0.4
165.12793	0.8
167.10744	2.9
171.10179	15.2
172.10461	0.9
175.11221	0.7
177.12729	1.3
179.05585	1.0
179.10741	1.5
179.14369	3.3
183.13730	0.5
185.11777	0.6
193.12297	8.2
194.12547	0.8
195.13834	9.2
197.11742	0.7
197.15370	0.6
205.12270	8.6
206.12524	0.6
209.11716	2.2
211.13335	2.5
221.11769	0.9
223.13350	93.6
224.13693	7.2
225.14920	14.1
226.15242	1.1
235.08168	5.1
243.15981	6.7
244.16229	0.6
253.09250	19.3
253.14445	1.1
254.09631	1.0
277.21738	1.0
291.19748	1.8
305.21240	0.7
309.20724	0.6
323.22217	1.4
325.94974	0.5
341.23312	100.0
342.23688	11.1
384.84845	0.5
427.49139	0.5
447.64175	0.4
459.22324	9.3
460.22656	1.2
547.36407	5.7
559.31165	0.7
577.32477	4.8
578.33258	0.8
663.47968	0.5
783.45203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.8
71.01275	2.7
81.03362	1.0
83.04900	3.9
87.00746	1.0
89.02323	2.6
90.43178	0.9
98.20569	2.1
101.02324	4.6
113.02334	1.7
157.74217	0.9
161.04445	2.3
163.11246	1.4
163.51166	1.2
165.12790	1.5
209.11772	72.7
210.12079	5.9
227.12827	10.9
235.08174	4.6
253.09262	9.0
277.21729	100.0
278.21988	11.0
400.86838	1.0
802.61810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26687	0.6
59.01258	7.8
61.98706	8.2
71.01262	3.3
73.02792	0.6
76.83115	0.7
79.18561	0.5
83.04932	0.6
85.02823	0.8
89.02322	1.7
101.02336	2.8
109.02821	0.6
113.02338	1.5
119.03384	1.1
119.48978	0.5
125.02352	2.9
135.06679	0.5
143.03270	0.6
149.28819	0.6
156.07556	0.5
161.04488	1.7
167.10808	0.9
179.05565	1.1
179.14232	0.7
183.13855	5.7
193.12299	1.6
195.13838	5.3
201.23152	0.6
209.11761	5.7
211.13342	100.0
212.13693	7.3
223.13359	3.2
227.12711	0.6
228.13617	0.6
229.20757	0.6
235.08203	3.6
244.21291	0.5
253.09262	14.7
254.09666	1.1
265.22440	0.5
275.20120	4.7
277.21667	4.0
278.22253	0.9
293.21228	64.1
294.21582	7.5
306.20844	0.5
447.22516	7.5
448.23044	0.9
487.34567	1.2
503.41873	0.6
529.30237	1.5
692.14697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98702	100.0
62.98396	0.2
71.01280	0.1
71.30719	0.1
71.52913	0.1
79.95596	0.1
80.96391	0.7
94.97932	0.1
111.25704	0.1
133.57298	0.1
145.63220	0.1
164.98640	0.1
185.11818	0.2
199.13405	0.1
207.10309	0.1
208.10544	0.2
209.11819	0.8
210.12149	0.2
211.13417	0.2
224.83311	0.1
225.00755	0.1
225.11229	0.4
226.11681	0.2
227.12833	0.1
235.08163	0.1
253.09367	0.2
277.21707	1.6
277.24527	0.1
278.22037	0.7
279.22510	0.1
295.22775	0.1
311.22354	0.1
360.74213	0.1
387.78494	0.1
433.30521	0.1
447.22690	0.1
462.20840	0.2
463.21045	0.2
619.03558	0.1
724.42664	0.1
746.45349	0.1
784.41949	0.6
785.37982	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	785.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
61.98000	0.4
61.98711	2.4
75.86602	0.4
91.63602	0.4
110.76469	0.4
110.81235	0.4
121.02848	100.0
122.03153	3.0
123.04385	0.5
125.02307	2.1
134.80095	0.5
136.01529	0.5
137.02301	0.7
150.20274	0.5
151.03976	0.6
164.01065	0.5
165.01874	2.9
167.03186	0.5
171.10272	0.5
174.58012	0.4
180.05736	0.8
181.05112	0.5
181.06505	2.4
191.03436	2.1
197.05884	0.6
197.11766	1.9
209.04501	70.6
210.04887	3.5
211.13470	0.5
223.13400	0.5
225.05499	2.2
277.69812	0.4
289.07056	0.9
309.20728	0.6
313.07199	5.7
314.07507	0.6
357.06039	1.8
401.08801	12.0
401.14090	0.7
402.09204	1.3
582.29382	0.5
605.60712	0.5
785.16974	0.9
785.41571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03301	2.3
58.00469	1.2
59.01252	29.0
61.98702	13.1
62.02875	1.1
67.89403	1.1
68.22938	1.0
69.03312	1.8
69.94878	1.0
71.01250	27.6
71.52219	1.3
72.99178	3.0
73.02811	3.3
75.00761	2.0
76.51343	1.1
81.03326	1.9
83.01255	2.4
83.04900	1.7
85.02828	8.3
87.00726	5.7
89.02317	22.9
93.67081	1.2
95.01218	1.6
96.95860	1.7
97.02823	4.2
99.00766	1.5
99.70889	1.1
101.02332	14.8
109.02740	1.3
109.06487	1.8
111.08038	1.1
113.02335	7.6
119.03369	4.8
124.01524	1.2
125.02335	7.1
131.03336	1.4
132.26083	1.3
135.08028	1.5
137.36867	1.0
143.03401	1.9
147.09738	1.0
151.03925	1.7
161.04475	1.9
171.10138	1.6
179.05548	9.8
203.14285	1.5
203.65933	1.1
209.11780	2.7
211.13329	2.1
213.14845	2.5
221.06705	3.2
224.57785	1.1
235.08165	2.3
239.16461	1.6
241.18002	1.8
247.13242	1.5
247.17020	1.1
253.09357	1.8
265.17792	1.4
275.16202	1.3
289.07269	2.0
293.21271	1.6
307.18866	1.3
312.02740	1.2
315.26901	3.1
325.25278	5.2
341.24606	3.4
343.26321	6.3
359.25888	5.0
361.27509	3.4
369.24374	8.8
377.26801	1.8
387.25409	17.8
397.13538	11.1
405.26422	36.6
406.26785	3.8
427.61389	1.2
479.29956	1.9
637.98676	1.2
767.38031	1.4
785.39648	100.0
786.39941	26.7
807.76208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87302	1.0
59.01252	5.6
61.98705	51.1
65.58839	1.0
69.87424	3.5
71.01250	3.3
73.02840	1.2
78.95775	1.5
80.96378	1.2
87.00745	1.1
88.43244	1.0
89.02320	2.9
101.02325	2.9
113.02327	1.7
116.92738	1.3
117.10494	0.9
119.03396	1.2
141.12791	1.0
156.23717	0.9
159.64961	0.9
168.68710	0.9
183.13840	4.5
185.11757	72.5
186.12071	3.3
193.12271	1.3
197.11824	1.5
199.13402	1.4
209.11787	2.7
210.12190	1.4
211.13335	100.0
212.13741	5.4
213.15031	1.2
235.08217	2.3
253.09244	10.2
277.21725	95.1
278.22137	11.7
333.78363	1.0
409.46384	1.1
421.20746	3.2
429.20963	1.4
447.22400	10.2
448.22681	1.3
513.30676	1.7
785.37292	1.7
786.49390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.8
61.07219	0.7
61.98705	12.4
62.35599	0.6
62.65687	0.6
71.01254	2.6
71.07401	1.2
72.49632	0.6
89.02286	1.6
95.31262	0.6
101.02341	1.8
109.70344	0.6
113.02337	0.8
116.92763	0.8
153.12805	0.8
169.12236	5.7
197.11771	100.0
198.12088	5.2
199.13388	1.0
209.11766	0.8
215.74399	0.6
235.08235	2.0
253.09183	5.4
277.21716	46.4
278.22037	4.8
279.23178	0.8
291.84702	0.6
392.09412	0.7
415.19818	1.9
433.20712	9.8
434.20859	0.7
453.84729	0.7
585.23285	0.7
785.42999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14660	0.2
55.44751	0.2
61.90616	0.3
61.98704	100.0
65.52051	0.2
70.43864	0.8
78.55549	0.2
78.95773	0.6
80.96400	0.5
116.92724	0.6
117.92747	0.3
119.35887	0.3
128.37968	0.2
131.00337	0.2
171.10252	0.4
186.27318	0.3
197.11807	0.3
277.21710	0.6
278.22324	0.5
292.67987	0.3
293.21332	0.3
295.22726	0.3
537.20148	0.3
786.48596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98402	0.2
70.05503	0.2
70.05911	0.3
71.01247	0.1
78.95793	0.2
80.96380	0.1
84.00978	0.1
85.85561	0.1
109.15807	0.1
185.11809	0.1
211.13467	0.2
277.21771	0.3
278.22131	0.3
402.15869	0.1
608.93005	0.1
674.24603	0.1
786.50134	0.2
787.49725	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31841	0.1
61.98703	100.0
62.98397	0.1
71.08852	0.1
71.09173	0.1
73.60235	0.1
78.95795	0.1
96.35059	0.1
96.56958	0.1
108.57134	0.1
122.52657	0.1
157.46121	0.1
161.18555	0.1
197.26408	0.1
209.11797	0.1
278.22217	0.1
786.50043	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.1
61.98703	100.0
62.98399	0.2
62.99117	0.1
66.79557	0.1
68.19406	0.1
71.32094	0.1
89.16503	0.1
95.09051	0.1
109.01465	0.1
125.02325	0.1
135.21378	0.1
209.11763	0.1
211.13390	0.2
256.10583	0.1
277.21762	0.2
293.21332	0.2
295.22211	0.1
410.85522	0.1
445.23596	0.2
556.37872	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	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98410	0.2
64.39481	0.1
71.52509	0.2
78.95802	0.2
110.20831	0.1
111.37183	0.1
120.04479	0.1
125.02317	0.2
154.22641	0.1
210.91986	0.1
211.13422	0.3
212.13715	0.1
213.14894	0.2
225.11386	0.1
277.21722	0.7
278.22110	0.1
293.21228	0.3
295.22714	0.1
402.36285	0.1
641.65479	0.1
685.83362	0.2
692.97852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43113	1.4
59.01246	9.5
59.97364	1.6
61.98705	21.0
71.01251	6.7
71.04930	1.8
73.02801	1.8
81.03355	2.1
84.02023	1.7
85.02833	2.6
87.00747	2.6
89.02318	3.1
93.03325	2.5
96.95890	8.5
97.02811	3.0
97.69748	1.5
99.00745	4.6
101.02330	3.8
109.02822	8.8
109.06455	2.1
113.02332	2.7
121.02821	8.4
123.00787	2.0
124.01617	2.0
125.02310	3.9
125.09617	2.5
133.02901	1.9
137.02339	3.1
148.01587	3.8
149.02287	1.8
158.12964	1.6
163.11119	4.1
171.10150	4.9
174.01596	2.8
175.00235	2.6
181.12218	4.6
193.12328	2.5
197.11816	2.7
199.13383	2.5
201.05519	1.6
207.10193	6.8
209.11722	21.8
211.13354	2.9
225.11246	12.5
227.07072	2.2
227.12888	4.6
230.15266	1.7
241.04999	3.4
243.12399	3.5
253.09286	5.0
255.03760	1.6
255.06644	5.3
269.08157	4.4
269.11514	1.7
270.01770	3.4
276.15094	1.7
285.11230	4.1
325.20291	1.9
329.10233	7.0
333.47455	2.0
339.08743	6.5
341.23300	12.6
349.07056	3.4
362.04510	1.7
367.08340	4.2
377.06595	2.5
389.06778	2.0
391.07834	2.4
393.05920	2.7
405.09467	2.3
419.11441	3.6
421.05612	3.5
434.13553	5.0
440.45447	1.8
478.12695	91.6
479.13275	26.2
536.88306	2.0
746.34467	2.0
787.24530	100.0
787.40985	23.4
788.24719	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03310	0.5
58.00468	0.3
59.01254	4.0
60.29325	0.2
61.98695	0.9
67.81337	0.2
69.03320	0.9
71.00891	0.4
71.01250	4.0
73.02802	0.7
75.00741	0.2
75.23276	0.2
79.95641	0.3
80.02551	0.9
81.03311	1.5
83.01244	0.7
83.04890	4.6
84.02036	3.2
85.02818	1.2
87.00752	0.8
89.02328	2.7
93.03300	0.4
95.01291	0.3
95.04893	0.8
96.95881	3.2
97.02847	1.2
97.06468	4.7
98.06748	0.3
98.20660	0.6
99.00768	0.4
99.04382	0.7
101.01722	0.3
101.02326	3.5
109.02840	0.5
109.06470	0.3
111.07993	0.3
113.02338	1.9
119.03380	1.2
125.02360	1.0
125.05923	0.5
125.09639	0.8
133.04956	0.4
135.08041	1.0
137.09608	0.4
143.03378	0.5
145.04924	0.5
147.44452	0.2
155.98912	0.2
161.04428	1.7
163.11203	3.8
165.12772	2.7
171.10175	11.0
172.10516	0.4
175.11192	0.7
177.12886	0.3
179.05464	0.7
181.12273	0.5
183.13814	0.3
185.11702	0.7
191.10765	1.1
193.12274	6.7
194.12590	0.6
197.11757	0.3
197.15393	0.3
199.13185	0.4
209.11769	100.0
210.12117	5.6
211.13351	2.4
221.11746	0.6
225.14912	9.0
226.15257	0.6
227.12837	10.9
228.13196	0.9
235.08179	4.9
243.15964	4.4
253.09261	14.3
253.14476	0.9
254.09778	0.6
270.08981	0.2
289.07114	0.3
291.19644	1.1
305.21204	0.7
309.20648	0.5
323.22418	1.2
341.23300	65.8
342.23672	6.5
357.22751	0.3
445.21164	1.2
496.37891	0.2
523.81335	0.3
533.34796	2.1
534.35309	0.4
551.04010	0.3
551.35895	0.5
559.31396	0.4
577.32312	1.9
628.26294	0.3
787.42896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03310	0.6
57.37542	0.2
58.67723	0.3
59.01252	5.1
61.98707	2.6
69.03321	1.0
71.00893	0.4
71.01259	4.2
71.04903	0.3
72.99195	0.3
73.02821	0.9
80.02544	1.1
81.03326	1.2
83.01234	0.9
83.04896	5.2
84.02046	3.0
85.02812	1.3
87.00756	0.9
89.02315	2.4
95.01289	0.3
95.04913	0.9
96.95903	0.8
97.02841	1.1
97.06470	4.7
99.00741	0.4
99.04390	0.8
101.02335	3.9
111.08059	0.5
113.02318	1.8
119.03361	0.6
119.08591	0.5
123.04387	0.4
125.02350	1.1
125.09608	1.1
127.11154	0.5
133.04982	0.3
135.08102	0.6
137.09631	0.3
143.03409	0.3
145.04886	0.3
147.11737	0.3
150.03027	0.3
158.62563	0.3
161.04533	1.6
163.11191	3.9
165.12766	2.2
171.10187	9.6
172.10558	0.4
173.04590	0.3
174.29315	0.3
177.12801	0.3
179.03397	0.3
179.05470	0.4
181.12276	0.5
191.10693	1.0
193.12276	6.1
194.12709	0.4
199.13306	0.5
209.11774	100.0
210.12137	5.8
211.13370	2.6
221.11789	0.8
225.11362	0.6
225.14915	9.8
226.15222	0.6
227.12837	11.5
228.13156	0.5
235.08195	5.2
243.13696	0.5
243.15974	4.2
253.09265	13.1
253.14403	0.6
254.09625	0.6
289.07150	0.4
291.19629	1.2
305.21390	0.4
323.22333	1.5
325.20413	0.3
341.23325	63.3
342.23639	6.8
342.70502	0.3
445.20883	1.1
463.21704	0.6
533.34790	2.9
539.27686	0.3
551.36047	0.5
577.32556	1.4
787.43396	0.7
814.29340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98396	0.2
69.53046	0.3
69.53468	0.7
70.25342	0.1
76.41866	0.2
77.64172	0.1
80.04066	0.1
80.96405	0.2
85.52370	0.1
91.92190	0.1
97.07280	0.2
117.90540	0.1
212.13515	0.2
255.42014	0.2
277.21732	0.2
278.22086	0.2
279.23312	0.3
368.60809	0.1
441.87271	0.1
483.86545	0.2
521.37543	0.2
528.41382	0.2
788.49506	0.2
789.41028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	7.2
59.01245	4.7
61.98712	38.1
64.79959	4.1
70.97774	4.2
71.01251	8.2
71.51196	8.1
73.86184	4.5
88.98727	4.7
94.56010	4.4
97.39565	5.1
106.54273	4.3
116.92675	6.2
121.02897	6.5
123.04448	7.5
125.02333	36.9
127.14494	4.6
130.09497	5.0
137.02357	10.0
151.03934	9.1
164.01060	5.1
164.42528	4.4
165.45453	5.0
167.03383	11.9
171.10208	11.8
179.60255	5.1
194.56340	4.5
199.75565	4.8
209.11768	100.0
210.12177	8.0
211.13312	21.6
227.12822	20.4
228.13263	5.3
235.08089	5.2
253.09235	18.9
289.07227	10.4
291.12402	4.9
291.19662	19.4
309.20782	63.3
335.65933	5.3
442.01047	5.2
545.29883	5.4
791.39252	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	97.6
101.02341	21.3
104.20785	13.7
112.24418	12.4
115.69727	14.7
159.00652	12.6
194.36676	17.1
195.13779	15.8
205.26488	14.1
209.11786	65.4
211.93147	13.5
229.37955	13.9
253.09161	27.9
277.21790	55.3
278.22064	15.0
279.19669	100.0
293.21161	89.3
428.65231	13.7
540.72498	15.2
753.49805	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	65.2
62.32018	20.7
70.72585	45.1
88.56901	20.2
116.92745	29.4
125.02369	41.0
130.17342	22.2
152.99329	21.5
160.09825	25.3
197.10138	23.3
211.13350	100.0
293.21240	60.2
364.69327	21.0
469.71149	24.1
606.92480	25.7
770.93915	26.5
791.42944	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
61.98705	0.6
71.01266	0.4
73.02821	4.8
75.00758	0.8
87.00763	0.2
89.02269	0.2
99.00764	1.1
99.92458	10.7
100.92496	0.5
113.02306	0.1
114.93312	0.6
116.03453	0.3
116.92747	100.0
116.97138	2.2
117.01828	8.3
117.05462	0.4
117.92756	5.2
125.02337	0.4
173.61250	0.2
235.08325	0.2
277.21729	0.5
293.21042	0.2
335.17538	0.3
397.13644	0.4
415.15308	0.2
670.42560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.7
59.01260	13.9
60.28149	6.8
61.98701	56.6
64.19327	7.2
78.66995	7.9
78.95741	9.4
78.98114	6.5
96.84349	8.2
97.02842	8.4
101.02345	9.0
104.09614	6.8
109.02856	7.8
113.02275	7.2
125.02312	43.1
137.02364	9.0
151.03917	11.1
173.04317	7.9
199.13350	12.4
201.11220	38.8
206.26633	8.1
209.11816	82.1
210.12115	9.3
211.13383	26.0
227.12843	68.5
253.09258	54.1
289.07104	24.6
293.21228	100.0
294.21634	11.1
309.20697	17.5
341.22595	8.9
440.09409	8.5
445.21094	18.0
463.21951	16.9
478.17676	7.8
529.30365	20.6
739.42908	34.1
793.41040	29.6
794.41760	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	798.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.1
61.98704	100.0
69.98225	0.1
75.00764	0.2
81.18530	0.1
98.19684	0.2
98.80762	0.1
119.34505	0.1
125.00626	0.1
172.73068	0.1
193.02570	0.1
211.13368	0.2
223.13541	0.1
249.48402	0.1
272.29553	0.1
293.21207	0.2
365.80179	0.1
499.93564	0.1
525.82983	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	799.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93736	0.8
57.03319	1.1
59.01250	5.7
61.98704	100.0
71.01260	4.0
71.52753	1.5
83.04916	0.9
87.00748	1.5
89.02328	1.7
97.02828	1.7
101.02328	3.6
109.02848	1.1
111.08032	2.5
113.02329	2.0
119.20934	0.8
123.04456	0.9
125.02323	4.9
151.03949	1.4
153.50301	0.9
161.04498	1.6
169.12289	1.9
171.10271	0.8
183.13838	4.9
193.12325	1.1
195.13858	0.9
197.11807	15.3
198.12097	0.8
199.13362	2.5
207.10062	1.0
209.11809	7.3
211.13348	76.8
212.13684	3.9
215.30695	0.9
223.13416	1.0
225.11273	1.2
227.12845	3.3
230.03995	0.9
235.08202	4.3
253.09261	9.7
262.30194	0.9
275.20059	1.6
277.21497	0.9
289.07266	1.3
291.19678	12.4
293.21271	9.5
309.20712	30.4
310.21054	2.9
401.28894	0.9
447.22269	6.3
449.67963	0.9
545.29541	1.2
557.12775	0.9
739.42419	1.1
799.43518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.8
64.43259	0.2
71.01251	1.9
75.71326	0.3
83.04896	0.4
85.02852	0.7
85.24744	0.3
87.00772	0.4
89.02328	1.9
101.02342	2.0
102.53764	0.3
107.45989	0.3
113.02360	1.0
116.33817	0.2
119.03397	0.6
132.00565	0.3
135.69864	0.3
145.04881	0.4
161.04517	0.7
167.14333	0.6
179.05576	0.4
183.13838	6.4
184.14125	0.3
193.12270	1.8
211.13342	100.0
212.13687	5.6
235.08186	1.4
253.09250	5.6
254.09604	0.5
259.20840	0.3
277.21732	50.5
278.22073	5.3
429.21399	1.0
447.22330	7.8
448.22821	1.1
513.30804	0.4
558.26678	0.3
707.43610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.9
58.00452	2.5
59.01252	74.7
61.98715	9.4
65.03846	1.7
69.03320	5.4
70.84711	3.6
71.01254	58.7
72.99170	5.2
73.02800	9.9
75.00732	2.1
77.45237	1.8
79.18561	1.4
81.03326	5.4
83.01258	6.9
83.04903	7.3
85.02833	16.2
85.06472	2.9
87.00761	13.6
89.02317	35.9
93.03348	4.1
95.01263	4.7
95.04886	2.3
96.95858	2.4
97.02840	7.3
97.06463	4.7
99.00753	4.5
101.02332	39.2
104.09438	1.5
107.04920	2.0
109.02821	4.3
109.06455	5.2
111.04436	3.4
111.08040	6.8
113.02317	23.2
115.00191	1.9
119.03377	5.2
119.04945	1.8
121.02799	2.5
123.04395	2.3
123.08028	2.0
124.77699	1.9
125.02329	19.4
125.09624	18.4
131.03386	1.9
137.02342	3.8
137.09641	4.2
139.03928	2.3
143.03354	3.7
151.03900	3.4
161.02374	1.9
161.04457	5.9
164.65497	1.6
165.01837	2.8
167.03394	2.6
171.10193	38.3
172.10487	1.8
173.04536	3.0
175.02339	2.3
176.03467	2.0
179.05507	9.4
183.13879	2.5
205.15886	3.9
209.11743	11.4
211.13324	17.8
213.12759	1.5
213.14853	4.1
215.14418	11.3
221.06531	7.4
223.13269	2.9
231.13734	3.5
233.15440	53.0
234.15695	2.3
235.08186	4.7
247.13329	1.5
249.14943	26.1
251.16382	2.9
263.07767	1.8
289.07217	6.4
331.26550	4.4
341.24835	5.2
359.25790	2.0
367.22693	3.8
372.55344	1.8
375.25443	3.8
377.26578	1.8
379.12439	4.3
385.23831	25.1
386.24280	4.3
393.26511	2.1
397.13461	28.1
398.13861	2.9
403.24942	36.6
404.25327	4.4
415.14618	4.4
421.25931	21.5
422.26511	3.2
509.27728	17.4
544.19861	1.8
629.27972	2.3
647.29504	3.0
773.39874	4.1
783.38086	100.0
784.38251	20.5
801.39191	79.0
801.54980	2.3
802.39545	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	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
61.98705	100.0
62.98418	0.2
66.91933	0.1
71.01281	0.1
71.51805	0.2
80.63113	0.1
93.03364	0.1
93.29673	0.1
97.02843	0.2
97.34351	0.1
109.02864	0.2
116.92760	1.7
117.92771	0.3
121.02901	0.2
123.04416	0.4
125.02339	2.0
126.02660	0.2
137.02415	0.5
141.60347	0.1
151.03944	0.5
152.99500	0.1
159.54837	0.1
161.02452	0.3
164.01051	0.1
165.01883	0.3
167.03439	0.3
177.01923	0.3
203.07094	0.2
209.11839	0.1
211.13329	0.3
212.13696	0.1
219.50415	0.1
219.65968	0.2
245.08199	0.2
277.21841	0.3
289.07272	0.8
290.07733	0.2
293.21317	0.2
490.94870	0.1
651.02692	0.1
680.61145	0.1
707.86316	0.1
711.44684	0.1
802.48999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98705	100.0
68.27751	0.1
71.08882	0.2
97.68282	0.1
101.58488	0.1
122.57996	0.1
162.01888	0.1
211.13319	1.2
212.13724	0.8
213.13989	0.4
241.74741	0.1
253.09233	0.1
268.17120	0.1
277.21725	0.7
278.22031	0.6
279.22681	0.3
280.22595	0.1
289.18185	0.3
437.48428	0.1
455.93826	0.1
702.60431	0.1
829.41718	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	803.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
57.58284	0.3
58.00482	0.5
58.47321	0.3
59.01252	10.9
59.05111	0.3
61.98702	5.7
68.99679	0.4
69.03339	1.1
71.01255	10.1
71.19657	0.7
72.99177	1.2
73.02814	1.3
75.00738	0.4
81.03342	0.6
83.01247	1.7
83.04910	0.5
85.02822	2.5
87.00770	2.4
89.02314	9.0
93.03320	0.6
94.67928	0.4
95.01276	0.9
95.04913	0.8
96.95895	0.7
97.02824	1.6
97.06458	0.5
99.00764	0.7
101.02328	6.2
109.02868	1.1
113.02335	4.6
116.92766	0.4
119.03383	2.0
123.04443	0.8
125.02335	6.6
126.02695	0.4
135.04411	0.4
137.02354	1.5
143.03406	1.2
151.03914	1.0
161.04468	2.4
165.01868	0.4
167.03381	1.1
171.10170	1.0
173.04445	0.5
179.05530	2.0
183.13831	6.7
193.12302	1.6
208.18428	0.4
209.11751	1.2
211.13342	100.0
212.13692	6.0
217.07043	0.5
221.06729	0.9
225.11406	0.4
231.99939	0.4
235.08188	3.1
235.13173	0.4
245.08215	0.4
253.09259	1.2
287.07739	0.8
289.07181	1.6
305.08789	0.8
313.16464	0.4
341.23312	1.3
379.12466	3.2
397.13489	20.3
398.13831	1.9
415.14597	4.4
591.26532	3.9
592.26837	0.4
609.27502	4.5
610.27820	0.8
785.39655	1.2
803.43921	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
58.00452	0.5
59.01254	9.8
60.81757	0.2
61.98702	1.6
67.01755	0.2
68.99689	0.3
69.03322	1.0
71.01257	9.7
71.32420	0.3
72.99181	1.0
73.02831	1.2
75.00711	0.2
81.01224	0.2
81.03338	0.6
83.01255	1.1
83.04907	0.4
85.02836	2.6
87.00748	2.5
89.02319	7.3
93.03391	0.3
95.01263	0.9
96.95873	0.3
97.02830	1.9
99.00759	1.0
101.02326	7.4
103.70486	0.2
109.02827	0.5
111.00775	0.3
111.04404	0.3
113.02327	4.1
116.92751	0.2
119.03403	2.2
119.04753	0.2
121.02863	0.3
123.04390	0.4
125.02346	4.8
131.03328	0.3
135.04407	0.4
137.02312	1.1
139.03888	0.6
143.03423	0.9
151.03882	0.5
155.10670	0.3
159.66286	0.2
161.02312	0.3
161.04457	1.7
163.11084	0.4
165.01830	0.4
167.03407	0.4
167.10667	0.2
167.14284	0.7
171.10217	1.3
173.04527	0.3
179.05553	2.4
181.12251	0.4
183.13831	7.0
184.14153	0.4
191.05489	0.3
193.12276	2.4
207.10201	0.6
209.11713	0.9
211.13339	100.0
212.13684	6.2
217.07106	0.4
219.31551	0.2
221.06581	0.7
225.11299	1.7
235.08202	2.4
239.03464	0.3
243.12190	0.5
253.09230	0.8
259.08237	0.4
263.07468	0.3
287.07755	1.0
289.07193	1.2
305.08807	1.0
323.09854	0.7
341.23291	1.6
374.96213	0.2
379.12433	3.7
380.12674	0.3
397.13498	19.0
398.13773	1.6
411.20267	0.2
415.14569	4.4
416.15158	0.3
591.26434	2.7
592.26855	0.4
609.27728	3.7
610.28296	0.3
785.39630	1.3
786.40363	0.3
803.44513	2.9
804.44208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
58.00477	0.5
59.01244	5.5
61.98703	25.4
63.80014	0.4
71.01253	4.5
71.04882	1.3
73.02808	0.8
80.96387	2.0
81.03333	0.9
83.04877	0.8
85.02813	1.4
85.45184	0.5
89.02311	2.4
94.97976	1.0
101.02327	3.6
107.04931	0.7
109.06470	6.4
111.04400	2.4
111.08040	2.2
113.02326	1.4
123.08025	1.0
127.07517	0.9
131.43225	0.5
137.05890	0.7
137.09552	0.7
145.06468	1.6
149.09625	0.8
161.04469	1.4
167.10716	1.2
179.05583	0.9
179.10736	0.8
191.14476	0.6
195.13907	3.0
211.13451	0.9
215.14297	0.7
235.08167	1.6
235.13368	0.7
245.19089	4.7
253.09270	8.9
259.20758	0.5
271.17133	1.1
275.20187	0.6
277.21710	62.2
278.22058	6.6
287.16455	1.4
289.18094	100.0
290.18423	10.2
291.19736	0.7
293.21198	0.5
307.19165	4.8
525.27106	3.4
526.27710	0.6
803.42694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
58.00484	0.2
59.01248	5.6
61.98708	4.8
69.03329	0.4
70.08036	0.7
70.08458	0.4
71.01257	4.6
71.01645	0.2
71.04887	0.7
73.02807	0.5
74.78852	0.2
75.88099	0.2
80.96414	0.4
83.01263	0.4
83.04889	0.6
85.02824	1.3
85.80062	0.3
87.00755	1.0
87.55097	0.3
89.02319	2.5
95.01298	0.3
95.04887	0.7
97.06458	0.7
99.00782	0.2
101.02327	3.4
102.16483	0.2
102.96037	0.2
109.06471	0.7
111.08042	8.7
112.08389	0.3
113.02315	1.9
113.05933	0.2
113.09615	0.8
119.03368	0.6
123.08080	0.3
125.02335	0.2
125.84245	0.2
137.09653	0.7
143.03354	0.3
145.04988	0.4
149.09650	0.7
155.10744	0.3
159.42642	0.3
161.04463	1.5
167.10709	2.4
169.06798	0.3
169.12277	0.3
171.10167	0.5
177.12741	1.4
179.05490	0.7
179.10725	1.5
179.14325	0.5
181.12363	0.3
193.12144	0.2
193.15959	0.3
195.13849	11.3
196.14322	0.9
203.14337	0.5
205.12198	0.5
205.15813	0.4
211.13441	0.5
219.13882	0.3
223.13333	4.9
224.13748	0.3
225.14851	0.4
228.13625	0.6
229.19479	0.3
231.21046	0.3
235.08203	2.5
247.20605	2.0
249.22253	0.3
253.09265	16.7
254.09578	0.6
256.13211	0.9
265.21667	0.4
273.18683	1.3
275.20184	5.4
276.20395	0.3
277.21719	1.1
289.18100	0.3
291.19666	100.0
292.20007	9.4
293.21219	84.2
294.21573	7.1
307.18918	0.3
407.81366	0.2
492.22079	0.5
509.27606	0.9
527.28589	6.6
528.29089	0.9
529.30206	1.5
567.40509	0.5
734.42426	0.3
803.48389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75318	0.1
61.98703	100.0
67.06967	0.1
67.34975	0.1
71.52287	0.1
75.76519	0.1
80.96386	0.4
120.11666	0.1
165.94351	0.1
173.27293	0.1
277.21906	0.1
562.37793	0.1
790.41455	0.1
805.40540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
67.68485	0.2
71.01269	0.6
71.51096	0.3
71.51509	0.2
78.95785	0.2
80.96385	0.7
87.80182	0.2
94.12208	0.2
125.02364	0.3
225.00749	0.3
281.18927	0.2
291.19769	0.4
293.21310	0.3
342.23978	0.2
554.31378	0.2
596.19788	0.3
804.49957	0.3
805.39337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.8
61.87275	0.6
61.98687	0.6
67.01773	1.4
68.42914	0.7
71.01260	1.5
71.52683	1.4
71.53070	0.8
73.02817	1.4
75.64512	0.6
79.95628	0.8
81.65147	0.6
85.02820	0.9
87.00745	0.8
89.02353	0.7
96.95889	20.2
101.02294	1.0
103.56147	0.6
107.04901	1.1
109.02830	5.1
113.02354	0.8
121.02836	1.5
121.06518	1.1
123.00762	1.8
123.04390	1.0
125.02339	2.1
135.04427	1.3
136.01595	1.4
137.02344	29.0
138.03145	1.2
139.03888	1.3
149.02341	1.1
150.03148	2.8
151.00279	12.2
151.03926	6.3
152.00949	1.5
152.04674	2.5
153.05406	0.8
154.08835	0.7
161.02341	0.8
161.06039	0.8
162.03079	1.0
163.00150	0.7
164.01082	1.7
164.04672	0.9
165.01846	100.0
165.05458	4.1
166.02628	36.3
167.03401	4.8
175.02451	0.9
175.03961	2.6
176.01086	0.9
176.04625	0.7
177.01891	3.5
177.05534	1.5
178.02577	1.1
179.03424	23.7
179.06967	1.4
180.04199	59.2
181.04982	36.6
182.05313	1.4
184.03722	1.8
187.03923	2.0
190.02660	0.9
191.05527	1.4
192.04176	0.9
193.04947	1.1
194.05780	4.6
195.02986	3.2
195.06560	79.6
196.06905	5.0
205.05017	5.4
207.06548	2.0
209.08072	1.1
210.05252	12.8
211.05853	0.9
219.06454	0.9
220.07320	4.1
221.08032	0.9
221.92426	0.8
225.07635	72.0
226.07997	4.2
235.09816	0.7
271.02463	2.1
313.03644	1.3
316.02106	3.3
324.28238	0.7
331.04642	3.5
345.09717	1.3
356.12610	0.8
358.78070	0.7
359.11597	2.6
360.15729	0.8
363.59079	0.9
371.11438	1.3
372.12143	1.3
375.18140	1.2
386.13788	1.0
387.09879	4.6
387.14969	8.3
402.13165	3.8
403.13849	1.9
416.14789	4.4
417.15536	56.7
418.15909	6.8
463.08453	0.8
475.08725	0.7
553.24475	1.9
557.28802	1.3
565.18616	2.7
580.19519	1.2
595.21838	58.5
596.22186	11.5
613.23035	1.3
625.23053	1.0
643.23993	26.6
644.24475	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	805.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.8
59.01243	12.2
61.98699	6.3
64.33900	1.6
67.56093	1.7
69.03318	1.8
71.01274	10.4
71.52778	2.2
71.53782	1.6
73.02825	3.2
80.03594	1.8
81.03329	2.1
83.04908	4.0
84.02044	2.7
85.02817	6.5
87.00761	3.1
89.02314	5.3
93.03291	1.9
96.95889	8.0
97.02888	2.5
97.06463	5.3
99.04434	2.1
101.02326	8.3
113.02299	3.8
116.92739	7.1
125.02378	8.1
127.07436	1.9
127.11168	3.1
137.02330	3.7
154.31105	1.7
155.10683	2.1
161.04427	3.0
163.11156	2.5
165.12720	2.3
169.12238	2.7
171.10208	18.2
173.04390	1.9
175.02318	1.9
179.05408	2.1
183.97752	1.8
191.05498	2.2
193.12178	3.1
197.11691	4.8
199.13306	2.7
201.11261	24.1
207.10175	1.9
209.11783	100.0
210.12097	6.4
210.83916	1.7
211.13417	11.4
212.13806	2.1
225.14925	3.7
227.12885	17.2
229.14395	5.9
235.08301	9.5
253.09251	25.0
254.09512	2.7
309.20679	5.1
327.21750	42.2
328.22131	3.2
341.23331	35.6
342.23648	4.6
374.17392	1.7
445.21115	3.1
563.30273	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	805.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11227	3.3
61.98695	12.3
63.99145	3.4
65.18828	3.6
66.41805	3.3
72.64366	2.7
73.03349	3.1
78.95776	67.6
84.02048	7.1
96.96832	6.8
97.06464	12.7
99.16528	3.0
152.99495	77.4
171.00523	6.0
171.10188	21.3
191.67496	3.1
193.12274	11.4
211.13342	5.4
225.14911	19.8
227.03151	5.9
243.16020	12.0
248.14133	3.3
253.21762	27.6
255.23445	3.5
280.37930	3.4
341.23297	38.5
342.23431	3.5
394.62457	3.3
477.22684	6.1
515.97382	3.4
569.27319	100.0
570.27686	12.6
753.84680	3.3
805.48523	84.9
806.49036	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.1
57.23148	0.1
58.00478	0.1
59.01249	2.6
66.11588	0.1
71.01257	2.2
71.28910	0.2
72.99194	0.2
73.02823	0.4
83.01271	0.2
85.02826	0.6
85.73482	0.1
87.00778	0.2
89.02320	1.5
89.97998	0.1
95.01273	0.2
95.04883	0.2
99.28984	0.1
101.02323	2.3
111.08076	0.2
113.02337	1.1
113.09592	0.3
119.03412	0.5
119.17491	0.1
124.27815	0.1
125.09564	0.1
143.03406	0.2
161.04456	1.3
167.10712	0.3
169.12215	0.2
177.12720	0.2
179.05531	0.3
179.10715	0.2
179.14337	0.7
195.13838	7.6
196.14426	0.9
202.57390	0.1
205.12271	0.6
205.15924	0.2
211.13370	0.4
220.55325	0.1
223.13341	5.4
224.13864	0.4
225.14920	0.3
228.13547	0.6
231.21170	0.4
235.08188	0.8
239.12906	0.1
249.22279	0.2
253.09262	16.6
254.09642	0.9
256.13120	1.0
257.13553	0.1
265.21823	0.2
275.20154	4.9
276.20547	0.4
293.21219	100.0
294.21558	10.2
299.11328	0.1
492.22049	0.5
493.22504	0.2
529.30292	1.0
530.30396	0.2
569.42188	1.2
570.42334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01249	5.2
69.03336	0.8
71.01251	4.2
71.04896	0.6
72.06411	0.2
72.99194	0.3
73.02833	1.0
77.06990	0.2
83.01265	0.8
83.04915	0.7
84.02026	0.4
85.02819	1.5
87.00764	1.1
87.04409	0.6
89.02320	2.6
91.03928	0.3
95.01270	0.3
95.04884	0.4
97.02833	2.4
97.06499	0.6
97.19489	0.2
101.02327	4.5
105.36528	0.3
109.06488	0.7
110.03583	0.3
111.04387	0.4
111.08058	1.7
113.02326	2.1
119.03397	1.1
119.08612	0.3
125.02348	0.4
125.09632	0.4
127.07552	0.3
133.04953	0.6
137.09647	0.9
143.03406	0.7
145.04962	0.7
151.11043	0.3
161.04457	1.7
163.11232	0.5
165.12758	1.0
169.12259	0.7
171.10179	2.4
179.05518	0.5
179.14345	0.7
181.12183	0.6
183.13847	0.9
185.11694	0.4
190.45572	0.3
193.12283	0.4
193.15958	0.3
195.13855	3.0
197.11780	9.1
198.12070	0.3
199.13347	0.8
205.12340	0.4
209.11740	0.5
211.13307	1.7
221.11717	0.3
221.15427	1.6
223.13382	1.0
224.90477	0.3
227.12798	0.6
229.19580	0.3
233.15434	0.7
235.08209	6.9
239.16513	0.4
247.20667	0.8
251.16594	0.6
253.09274	15.0
254.09697	0.8
259.20691	0.7
263.20117	0.7
273.18643	1.6
277.21729	100.0
278.22073	8.3
291.19672	20.9
292.20108	1.8
293.21381	0.3
305.94031	0.3
309.20718	47.9
310.21039	4.3
311.97479	0.3
513.30432	0.3
527.28961	0.3
545.29559	0.6
569.41821	0.6
617.06262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
58.00471	0.5
58.10602	0.2
59.01250	6.5
61.35458	0.3
69.03320	0.8
69.45493	2.2
71.01257	4.1
73.02807	1.0
83.01266	0.7
83.04915	0.4
85.02803	1.4
87.00756	0.4
87.04401	0.3
89.02318	3.6
89.27547	0.3
95.01273	0.5
97.06477	0.4
98.20586	0.5
99.00768	0.4
101.02321	4.1
108.96948	0.2
111.08040	7.4
112.08332	0.3
113.02340	2.5
119.03385	1.1
123.08059	0.3
125.02352	0.3
127.07537	0.3
137.09621	0.6
143.03401	0.3
145.04951	0.4
151.11201	0.5
153.12767	1.1
157.04895	0.4
161.04462	2.3
169.12265	3.3
171.10149	1.1
179.05527	0.8
179.10654	0.3
181.12202	0.7
183.13797	0.4
197.11761	38.6
198.12077	2.4
199.13359	2.4
209.15393	1.8
211.13351	5.1
221.15359	0.6
223.17006	0.5
225.14896	1.6
227.12833	1.2
229.19475	0.6
231.13808	0.5
233.15430	0.6
233.22469	0.4
235.08171	5.0
247.20613	0.6
249.14926	5.7
250.15382	0.4
251.16573	1.5
253.09259	16.8
254.09750	0.7
263.20081	2.5
265.18127	1.4
273.18536	1.8
277.21716	100.0
278.22070	8.9
291.19659	21.5
292.19952	2.0
309.20706	44.6
310.21078	4.5
415.19684	0.4
433.20767	0.6
485.23923	1.0
522.26404	0.4
527.28223	0.4
545.29224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.4
63.61840	0.2
65.00201	0.3
68.93795	0.3
75.15411	0.2
88.41734	0.3
107.01270	0.6
107.63682	0.2
125.02322	0.7
128.47366	0.2
151.00275	2.0
159.97694	0.2
171.04341	0.3
187.03966	0.3
191.05478	0.3
199.03873	2.1
201.01845	0.4
203.03508	0.3
204.04210	0.4
215.03438	1.7
226.02701	0.3
227.03462	2.2
242.02174	3.9
243.02953	21.1
244.03331	1.4
255.03059	1.4
257.04535	6.6
258.04987	0.5
270.01685	5.1
271.02466	24.8
272.02747	1.5
285.04044	12.1
285.06677	0.2
286.04724	4.4
287.05289	0.6
299.01981	7.0
300.02652	3.4
313.03732	0.4
314.04312	38.5
315.04996	8.9
316.05408	0.4
329.06662	2.7
357.06143	0.9
477.10358	100.0
478.10745	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	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.8
61.98703	43.1
62.75926	4.6
69.79652	24.8
87.82596	4.5
125.02331	15.7
195.13750	5.5
198.84512	4.9
209.11774	100.0
227.12814	14.7
235.08176	6.9
253.09279	18.9
275.19955	5.4
289.07016	8.0
293.21249	75.6
331.59943	5.4
331.64484	5.6
359.37695	4.8
364.25720	5.2
384.39130	4.9
445.20676	10.8
529.30194	8.5
567.77948	5.6
807.42914	30.6
808.43604	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	808.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07745	0.7
59.01255	1.8
61.98707	3.3
69.66474	0.7
78.95786	4.8
125.02321	4.2
137.02299	1.0
138.53337	0.7
148.08806	1.0
152.99463	2.0
165.12766	22.7
166.13052	0.8
167.03380	1.3
168.04178	1.4
168.73268	0.8
177.01826	1.1
223.13400	1.6
241.68398	0.8
242.07936	2.5
243.94516	0.7
247.20656	10.8
273.18652	6.6
277.21719	68.9
278.22131	5.9
289.18134	1.1
291.19659	100.0
292.19968	7.1
502.29419	30.2
503.29688	5.3
734.14117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.2
59.01252	24.7
59.42831	0.7
61.98706	4.0
69.03338	2.7
69.26259	5.7
70.37131	1.0
71.01253	7.1
71.04880	1.2
73.02834	1.0
81.03329	1.6
83.01266	2.6
83.04893	1.4
85.02820	1.7
89.02331	3.8
95.04891	1.3
95.51230	0.7
97.02829	1.6
97.06467	3.1
101.02328	5.2
109.06459	1.2
113.02329	2.1
113.44795	0.7
119.08504	0.9
121.06461	0.9
123.04411	2.9
123.08057	2.1
125.02330	3.2
125.09628	4.2
128.65225	0.8
137.09634	2.1
139.07419	0.8
149.09526	0.8
160.08673	0.8
161.02429	0.9
161.04491	2.1
163.11194	4.1
165.12733	1.5
167.10693	3.6
179.10715	2.5
179.14380	4.4
185.11742	6.1
191.14288	5.0
195.13864	11.5
201.10941	0.9
205.12315	10.6
207.10210	1.9
209.11765	14.1
223.13353	100.0
224.13690	5.0
225.11313	1.6
235.08218	3.6
237.11351	2.5
245.19121	8.1
253.09291	13.2
254.09514	0.9
263.20139	2.6
271.17020	1.4
277.21600	0.8
281.21225	1.0
289.07263	2.0
289.18106	44.2
290.18460	3.9
307.19162	39.4
308.19513	3.3
355.58148	0.8
415.25031	1.8
459.22348	8.5
513.32178	1.8
525.26709	1.5
633.32764	5.5
634.33179	1.2
651.33813	2.5
652.34760	0.9
713.38983	2.1
731.39905	1.4
749.41333	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	811.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.1
59.01252	12.3
61.98708	17.4
64.33389	2.4
69.37393	2.2
71.01259	6.7
72.99166	3.7
81.03349	3.0
83.04914	2.5
85.02831	3.1
88.03918	13.0
89.02302	4.3
93.03330	2.6
97.02869	3.2
97.56853	2.0
97.58595	2.3
98.86626	2.4
101.02341	5.2
104.03391	2.7
107.04905	2.3
118.95555	2.2
121.02811	2.7
123.04312	3.6
125.02338	17.3
137.02379	4.8
151.03909	5.7
167.03424	2.8
167.10657	3.5
171.10135	3.0
173.04535	4.9
177.01834	4.3
179.14339	3.7
187.34850	2.4
191.05605	3.5
195.13799	12.6
197.11795	12.6
205.12257	11.3
209.11754	14.4
211.13370	5.7
223.13351	100.0
224.13725	8.8
227.12895	3.2
235.08220	6.4
253.09247	22.9
277.21829	11.8
289.07117	7.9
291.19727	21.6
292.20050	2.7
309.20740	71.2
310.21106	5.3
459.22440	14.7
465.94809	2.7
474.66431	2.9
527.27991	2.3
544.92712	2.5
545.29797	4.4
751.42560	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	812.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.1
60.81340	0.1
61.98704	100.0
63.30347	0.1
70.71668	0.4
72.99195	0.1
88.98680	0.2
89.02332	0.2
98.79091	0.2
114.52248	0.1
132.18195	0.2
180.53372	0.1
209.11914	0.3
223.13460	0.4
224.13684	0.3
254.26186	0.1
277.21741	0.3
289.18533	0.1
307.19162	0.1
308.19687	0.2
738.30975	0.2
825.35828	0.2
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
59.01251	0.2
59.71869	0.1
61.98703	100.0
62.98401	0.2
63.00866	0.1
66.73948	0.1
71.52114	0.1
72.99194	0.2
75.00734	0.1
79.10780	0.1
93.03307	0.1
97.67387	0.1
105.29418	0.1
116.72359	0.1
125.02342	0.2
137.02351	0.1
152.00781	0.1
152.74257	0.1
183.16837	0.1
209.11896	0.2
211.13197	0.1
223.13547	0.1
242.02571	0.1
264.15610	0.1
289.07120	0.2
290.18735	0.1
307.19714	0.1
506.33173	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	814.424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98405	0.3
68.65049	0.1
71.01273	0.2
74.98987	0.1
75.00764	0.7
75.34232	0.1
80.96395	0.2
88.03915	0.2
98.20647	0.3
111.51238	0.2
125.02357	0.3
209.11688	0.2
211.13416	0.2
214.15056	0.2
230.49960	0.2
273.27606	0.1
277.21820	0.2
278.22006	0.2
289.07321	0.2
313.21561	0.2
422.42484	0.1
637.51782	0.2
754.44391	0.2
815.38037	0.2
815.50830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98412	0.1
71.08619	0.2
75.00757	0.3
81.71300	0.1
112.99680	0.1
125.02428	0.1
197.11868	0.1
223.13324	0.1
224.13760	0.1
277.21768	0.1
333.96545	0.1
381.83383	0.1
531.50952	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	815.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
58.00464	1.1
59.01253	40.6
61.98705	0.8
69.03330	0.7
69.59425	1.7
71.01254	20.4
71.04934	0.3
71.77839	0.3
72.01616	0.3
72.99175	1.5
73.02821	9.6
75.00760	0.4
76.98592	0.2
79.95625	0.4
80.96388	3.2
81.03349	0.3
83.01260	3.8
83.28201	0.3
85.02826	6.9
85.54247	0.2
87.00735	1.4
88.98701	0.4
89.02318	6.9
94.97986	0.5
95.01271	1.5
96.20386	0.3
96.95907	1.1
97.02850	1.0
98.19884	0.3
99.00757	1.8
99.04411	0.7
101.02327	11.5
113.02333	6.9
119.03422	1.8
123.04399	0.3
125.02348	1.9
129.01869	0.4
131.03439	0.3
137.02382	0.8
137.75706	0.3
143.03429	0.9
149.04501	0.4
151.03918	0.4
155.03439	0.3
161.04504	1.3
164.01126	0.3
164.98544	0.4
171.07884	0.3
179.05481	0.4
205.15971	0.4
209.11668	0.4
211.13362	1.1
225.00717	0.7
282.80023	0.3
289.07303	0.5
301.21814	0.6
303.23297	5.3
319.22858	1.1
463.26962	2.3
475.42542	0.3
481.28027	6.9
482.28543	1.0
505.28247	2.0
506.28271	0.4
523.29132	100.0
524.29474	12.2
547.29333	0.9
548.29272	0.3
565.30432	1.6
589.30713	0.4
783.36597	0.4
815.49487	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	815.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	19.8
61.98705	50.6
64.05761	4.0
65.31751	4.6
71.01245	16.4
75.00732	4.6
79.95605	17.1
80.96391	66.9
83.04916	8.0
85.02802	7.5
87.00700	5.4
89.02345	7.7
94.97952	12.8
96.95908	5.3
101.02341	6.4
109.02826	7.3
109.71062	4.8
113.02303	6.8
125.02340	16.2
133.21741	4.6
164.98560	16.4
167.03314	4.8
171.10020	6.5
183.13750	7.5
197.11723	15.2
199.13255	10.7
209.11807	60.3
211.13348	71.3
212.13725	5.4
213.15018	6.0
225.00708	18.2
227.12816	16.9
235.08130	8.5
253.09256	20.0
289.07327	7.6
291.19608	15.3
309.20602	37.6
325.20334	27.7
345.69019	4.9
443.34634	5.6
571.81824	5.4
815.36176	8.5
815.49994	100.0
816.50055	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	815.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.9
61.98692	1.3
71.01244	2.6
72.69653	0.6
73.02809	0.9
78.95789	1.7
80.02542	1.1
81.03323	0.7
83.04897	2.9
84.02053	0.7
87.00721	1.0
88.98675	1.6
89.02308	1.7
101.02330	2.1
113.02351	0.8
132.12064	0.6
135.08112	0.8
161.04427	1.0
163.11188	3.0
165.12753	2.3
191.10628	1.0
209.11775	100.0
210.12129	7.0
227.12831	12.0
235.08200	3.4
241.01176	0.8
253.09340	7.3
255.23233	1.3
277.21725	69.9
278.22058	7.0
317.35922	0.7
385.59540	0.7
445.20779	2.9
458.61612	0.8
460.96072	0.8
797.40613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.2
61.98704	9.6
62.82331	0.4
70.65343	1.3
70.65689	0.5
71.01246	2.7
72.99174	1.4
73.02839	0.5
75.00758	3.2
80.96407	1.5
85.02813	0.5
87.00743	0.9
89.02320	2.5
101.02323	2.5
113.02334	1.1
119.03449	0.5
125.02325	1.0
143.03354	0.6
145.54312	0.5
151.03879	0.6
152.99525	0.9
161.04445	1.2
167.10646	0.8
167.14362	0.5
171.10144	1.1
179.05519	0.6
183.13834	6.4
193.12260	1.1
195.13841	4.8
211.13339	100.0
212.13696	6.1
223.13292	2.8
228.13631	0.9
235.08163	4.1
253.09276	11.9
275.20126	4.6
277.21674	1.0
289.07120	0.5
293.21228	57.6
294.21494	5.3
341.10181	0.5
411.60556	0.5
447.22308	9.5
448.22482	1.1
493.55042	0.6
529.30145	2.2
668.75909	0.8
723.43219	1.5
815.49341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
63.96119	1.1
71.01253	5.0
71.01620	0.4
71.09348	0.4
72.99141	0.2
73.02827	1.0
78.95786	0.3
78.98466	3.8
79.95604	7.9
80.96391	48.0
81.03333	0.7
82.56718	0.2
83.01255	0.4
85.02820	1.8
87.00739	1.8
94.97961	10.9
96.95892	0.6
97.02818	1.1
99.00758	0.4
101.02339	1.8
102.53281	0.2
106.97981	2.3
121.27469	0.2
122.97466	2.1
125.02332	2.2
127.03925	0.4
134.97485	3.2
136.99017	1.0
148.99034	3.9
152.98523	3.7
164.98547	8.1
167.00127	0.4
206.99588	1.7
225.00700	11.6
226.01050	0.5
243.45132	0.2
255.23238	1.0
256.23663	0.3
277.21741	0.8
283.04736	0.3
310.91034	0.2
537.27362	1.1
559.25623	1.3
560.24573	0.2
569.04779	0.2
753.05780	0.3
815.49805	100.0
816.50140	27.3
817.69885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.91768	0.1
61.98703	100.0
62.98425	0.2
64.82538	0.2
70.03457	0.6
70.87505	0.1
71.01269	0.3
75.00746	0.4
78.98446	0.2
79.95668	0.2
80.03899	0.2
80.96381	1.2
88.98715	0.2
94.97971	0.2
100.72817	0.2
101.02335	0.1
103.43639	0.2
116.92744	0.7
124.51500	0.2
125.02328	0.5
137.02281	0.1
146.03563	0.2
151.03940	0.2
180.84926	0.1
197.11801	0.2
205.42235	0.2
209.11758	0.3
211.13269	0.2
212.13834	0.1
220.36087	0.1
227.12836	0.2
433.98013	0.2
757.52783	0.2
815.49353	0.3
816.50330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01586	0.8
61.98705	67.4
67.70551	0.7
69.03335	1.1
69.19954	4.7
69.20371	3.1
71.01265	2.5
75.00748	1.4
80.96406	1.7
85.02840	0.9
86.70971	0.6
87.00761	0.9
88.80659	0.7
89.02335	2.3
95.01286	0.9
96.47028	0.7
97.02853	2.0
98.19765	1.2
101.02343	2.0
113.02365	1.0
116.92776	1.9
125.02364	3.0
135.04428	0.7
139.00311	0.7
141.01604	57.7
142.01984	1.6
161.61089	0.7
163.57751	0.8
167.64250	0.7
177.01807	1.0
197.11784	1.0
211.13425	1.5
235.08286	1.9
249.28111	1.1
277.21783	9.3
303.17239	1.4
359.22198	4.2
397.13486	11.9
415.14746	2.8
419.11978	2.2
434.34833	0.8
437.12930	5.4
697.34436	2.7
728.46692	0.8
733.61816	0.9
816.50763	1.4
817.50293	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	817.459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.6
59.01250	11.1
61.98706	7.3
64.55589	1.1
68.88405	1.1
69.22494	3.3
69.22916	7.6
71.01241	9.2
73.02827	2.4
75.88081	1.1
78.62873	1.1
80.96393	2.9
83.01282	1.1
85.02840	4.6
87.00745	4.0
89.02330	2.5
95.01249	1.2
96.95911	1.6
97.02814	2.0
98.20618	2.4
101.02329	3.9
109.02847	2.2
113.02301	2.8
115.00259	2.6
123.04398	1.2
125.02351	7.4
135.04381	1.9
137.02341	2.8
149.05940	5.5
150.06772	58.3
151.03932	2.1
151.07240	2.6
161.02370	1.9
162.06772	6.0
163.07558	26.6
164.08328	8.2
170.88850	1.1
171.10175	1.5
173.04538	1.4
175.02379	4.0
176.08345	3.5
177.01892	1.4
177.09128	3.9
178.09932	5.1
179.10701	15.0
183.13843	1.2
199.09624	1.4
199.13472	1.3
204.21672	1.2
209.11726	1.5
211.13322	2.5
213.15041	1.5
265.25519	1.9
267.23401	3.6
269.21072	1.9
289.07248	4.3
311.25909	3.1
313.23923	7.8
432.32489	11.6
433.32819	2.6
446.33972	12.0
447.34708	21.4
448.35223	3.9
473.32608	2.0
474.33414	9.0
475.34137	4.3
491.34009	2.0
492.20148	1.2
492.34546	14.2
493.35327	37.9
494.35751	7.8
523.29443	1.7
524.29944	1.8
525.29840	3.6
637.39423	2.1
655.24451	1.4
655.40649	18.7
656.40991	4.7
817.46045	100.0
818.46381	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98397	0.2
74.07580	0.1
108.03823	0.1
125.02348	0.2
128.88899	0.1
171.79811	0.1
211.13390	0.1
228.58066	0.1
289.07416	0.1
291.19861	0.1
348.65024	0.1
351.09326	0.1
818.49445	0.1
819.37842	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	818.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.1
60.97498	0.1
61.98704	100.0
62.98407	0.1
71.01270	0.1
75.00748	0.5
78.95815	0.2
89.02316	0.1
98.20562	0.2
98.60747	0.1
101.02322	0.1
119.08575	0.1
121.10137	0.1
125.02338	0.2
125.09666	0.1
135.08086	0.2
152.99596	0.1
167.03506	0.1
171.10234	0.5
185.11783	0.2
195.13879	0.1
201.11137	0.1
209.11794	0.2
209.21089	0.1
210.21275	0.1
211.13440	0.3
212.13660	0.2
225.14914	0.1
253.09320	0.2
277.21716	0.1
289.07190	0.1
289.18106	0.4
290.18344	0.1
291.19724	0.3
293.21194	0.7
294.21597	0.1
295.22684	0.2
307.19220	0.2
343.25085	0.2
439.85962	0.1
498.83978	0.1
609.51105	0.1
801.48541	0.1
818.51831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.3
61.98705	100.0
62.98406	0.2
71.01270	0.3
76.90901	0.1
80.96397	0.3
83.01270	0.1
89.02338	0.3
97.06505	0.1
101.02330	0.2
103.30307	0.1
113.02329	0.1
123.04407	0.1
125.09645	0.2
137.09677	0.1
161.04488	0.2
163.07591	0.1
163.11217	0.3
185.11852	0.3
191.14403	0.3
195.13866	0.3
207.10365	0.2
209.11777	0.9
210.12213	0.1
211.13200	0.1
213.37448	0.1
223.13434	0.2
225.11499	0.1
235.08266	0.1
235.81055	0.1
237.11455	0.2
245.16856	0.1
245.19040	0.7
253.09305	1.1
263.20200	0.2
275.20227	0.4
277.21844	0.1
278.22296	0.1
289.18109	3.2
289.60220	0.1
291.19684	0.6
293.21255	4.1
307.19186	2.8
307.22592	0.2
309.20844	0.3
483.02225	0.1
667.19641	0.1
819.42676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42564	0.9
67.01759	3.0
67.02110	1.0
70.84578	2.3
71.01247	3.1
73.16620	1.0
85.02812	6.4
93.03329	23.1
96.97791	0.9
109.02831	1.4
111.00756	1.5
111.04408	5.4
125.02346	5.7
127.03879	1.8
133.02846	1.8
134.03596	4.2
135.04410	59.1
136.04742	2.6
137.02319	5.4
143.99681	0.9
151.00281	1.5
153.01860	2.3
155.03442	5.0
161.02376	2.4
173.04466	100.0
174.04810	4.2
175.03889	1.1
177.01823	1.7
179.03418	59.6
180.03719	2.5
181.01366	1.0
191.05542	41.0
192.05954	1.7
193.04958	1.2
233.80423	1.0
256.04474	1.2
285.04016	5.0
303.05038	12.5
304.05399	1.4
353.08746	72.8
354.09042	4.4
465.10458	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	819.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.2
59.01249	10.8
61.98706	1.1
69.23722	10.3
71.01252	8.1
72.99168	1.3
73.02805	2.6
83.01265	1.6
84.41626	0.9
85.02818	4.3
87.00740	2.3
88.98700	1.1
89.02306	3.0
98.19746	1.9
99.00790	1.5
101.02313	4.1
107.04911	1.2
108.10184	0.8
111.00687	1.1
111.04394	1.2
113.02341	2.2
119.03368	1.6
121.06458	1.4
122.03642	1.6
125.02328	2.6
128.82693	0.9
135.04388	2.2
136.05205	28.6
137.02303	1.6
138.90417	1.0
147.08020	1.6
148.05154	2.0
149.04524	1.1
149.05962	7.3
150.06743	3.7
151.03899	1.1
155.10616	2.2
162.06758	1.4
163.00319	1.0
163.07544	1.4
164.08342	3.6
164.15797	0.9
165.09109	26.3
173.04510	1.5
175.02435	1.0
191.05531	1.4
201.11328	1.3
268.85489	1.0
289.07144	1.5
311.22473	1.1
431.31409	1.1
434.30496	2.2
449.32635	9.7
450.33270	1.0
477.32416	2.0
491.28656	2.7
495.33145	2.2
611.38092	2.7
656.37994	1.4
657.38458	14.2
658.38989	2.3
819.43945	100.0
820.30402	1.8
820.44458	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	819.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
58.00473	0.4
59.01251	4.3
61.98704	27.8
69.03320	0.3
69.21375	2.6
71.01254	4.5
71.04889	1.5
73.02819	0.6
75.00735	0.4
80.02552	0.3
81.03334	0.7
83.04890	0.8
85.02808	1.0
87.00748	0.7
89.02314	2.6
93.07013	0.3
95.01255	0.3
95.04890	1.2
97.06478	0.4
98.03601	0.4
99.00798	0.4
101.02325	3.8
106.04119	0.4
107.04936	0.3
109.02850	0.3
109.06474	6.1
111.04414	2.1
111.08041	1.4
113.02329	1.9
116.58717	0.3
119.03389	0.9
121.06512	0.3
121.10125	0.2
123.08038	1.2
125.02319	0.4
127.07530	0.9
129.52263	0.3
130.03197	0.2
137.09570	0.8
141.09085	0.3
142.43484	0.3
143.03377	0.4
143.10687	0.9
145.06503	1.8
148.70207	0.3
149.09631	0.8
151.11200	0.5
161.04459	1.8
163.11226	0.3
167.10696	1.5
171.10103	0.5
177.12796	0.9
179.05534	0.4
179.10681	1.0
179.14354	0.8
179.58748	0.2
181.12254	0.9
184.33939	0.3
191.14352	0.4
195.13844	9.5
196.14352	0.4
205.12230	0.6
205.15945	0.5
211.13364	0.5
223.13365	4.3
225.14926	0.5
228.13660	0.8
231.21141	0.4
231.45555	0.2
235.08247	2.6
235.13365	0.6
245.19054	3.6
246.19299	0.3
248.72017	0.3
249.14803	0.4
251.16653	0.6
253.09262	16.5
254.09624	0.6
256.13104	0.9
261.18753	0.4
265.21747	0.4
271.17007	1.4
273.14874	0.5
275.20151	5.1
276.20554	0.6
277.21805	0.5
287.16434	1.7
289.18094	100.0
290.18420	8.7
291.19577	0.8
293.21222	79.3
294.21548	6.3
307.19156	4.7
454.73550	0.3
492.22159	0.3
525.27020	3.3
529.30945	0.4
565.38861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
59.01254	9.3
61.98705	11.2
62.78654	0.5
62.88742	0.6
69.03335	1.4
71.01259	8.9
72.99195	0.7
73.02823	2.2
75.56347	0.5
76.77135	0.5
78.98473	1.8
79.95610	3.2
80.02549	0.6
80.96393	21.0
81.03314	1.5
81.77398	0.5
83.01261	1.9
83.04880	1.0
83.66068	0.5
84.02056	0.6
85.02825	3.0
87.00765	1.7
89.02315	5.1
94.97969	6.5
95.01289	0.7
95.04898	1.2
96.78894	0.5
97.02847	2.7
97.06469	4.0
101.02319	6.3
102.43128	0.5
109.02802	0.6
109.06483	1.8
111.00721	0.6
111.08045	5.5
113.02374	3.3
113.09641	0.7
119.03355	1.0
119.08601	0.5
121.06477	1.3
122.97416	0.6
123.04418	2.2
123.08010	0.6
125.02335	1.3
125.05895	0.6
125.09619	3.4
132.87456	0.5
134.97490	1.0
135.08080	0.6
136.98990	0.7
137.09636	3.3
141.12759	0.8
142.60083	0.5
148.99083	1.8
149.05901	0.6
151.11201	0.8
152.98506	2.0
161.04494	3.4
163.07562	0.6
163.11232	4.9
164.98512	3.0
165.12741	1.2
167.10721	1.0
169.12253	1.0
171.10199	1.5
175.11198	0.6
177.12810	1.1
179.05553	1.0
179.10713	1.7
179.14325	1.0
181.12228	1.1
185.11765	5.2
191.10638	0.6
191.14336	6.8
195.13869	10.2
196.14366	0.9
197.11760	13.0
198.12080	1.0
205.12381	1.0
205.15923	0.8
207.10204	2.5
209.11780	9.9
210.12135	1.1
211.13301	3.9
217.15854	1.1
223.13367	6.3
224.13782	0.7
225.00723	4.4
225.11324	1.7
225.14818	0.7
227.18086	0.8
228.13751	0.7
229.67920	0.6
235.08188	4.7
237.11313	3.1
245.19066	12.3
246.19400	0.9
247.20644	0.8
253.09271	25.1
254.09760	1.3
256.13165	1.3
263.20114	2.7
271.17017	2.5
273.18661	1.1
275.20206	6.1
277.21674	1.3
279.95831	0.6
287.16656	0.6
289.18106	63.2
290.18533	5.2
291.19672	37.9
292.20007	4.0
293.21240	100.0
294.21640	8.1
307.19153	52.8
308.19565	4.2
309.20709	17.4
310.21130	1.3
347.36978	0.6
439.83289	0.6
525.26807	1.8
527.28674	2.6
543.27972	2.0
583.40332	0.7
687.09113	0.6
757.43982	0.7
819.41711	17.6
820.42255	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	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.5
59.01249	6.2
59.08900	0.3
59.21937	0.3
61.98703	100.0
62.98406	1.0
63.99116	0.6
65.22322	0.3
69.03325	1.0
70.54311	0.5
70.54649	0.7
71.01250	5.3
72.99163	0.4
73.02795	0.8
78.98473	0.4
79.95585	0.5
80.96391	1.6
81.03326	0.9
83.01272	1.6
83.04896	0.9
85.02824	1.5
87.00761	0.9
89.02309	2.7
94.98006	0.5
95.01274	0.5
95.04899	0.9
97.02832	1.1
97.06451	1.8
99.00700	0.4
101.02321	4.6
107.04917	0.3
109.06501	0.7
111.08034	0.5
113.02330	2.3
113.06019	0.3
116.11089	0.3
119.03353	0.8
119.08509	0.5
121.06443	0.8
121.10118	0.3
123.04412	1.5
123.08042	0.9
125.02308	0.6
125.05940	0.3
125.09608	3.1
135.08040	0.4
137.05907	0.3
137.09615	1.3
141.12820	0.4
143.03461	0.5
145.04926	0.6
149.05940	0.6
151.11208	0.5
153.12695	0.4
161.04492	1.6
161.09537	0.3
163.11220	3.9
164.98538	0.6
165.12804	0.8
165.30280	0.3
167.10733	0.6
171.10152	0.7
175.11188	0.4
177.12706	0.7
179.05510	0.5
179.14333	0.9
181.12262	1.2
185.11752	3.8
191.10619	0.4
191.14343	3.9
193.12273	0.4
195.13852	8.5
196.14243	0.8
197.11726	0.5
205.12216	0.6
205.16055	0.4
207.10150	1.7
209.11778	9.3
210.12102	0.6
211.13341	1.3
217.16057	0.7
223.13361	5.2
225.00804	0.4
225.11368	1.5
225.14911	0.4
228.13554	0.8
231.21231	0.4
235.08240	2.1
237.11270	3.7
245.19104	8.9
246.19508	0.6
253.09268	16.3
254.09711	0.8
256.13077	1.1
263.20151	2.8
271.16956	0.7
275.20172	5.9
277.21738	0.5
281.21066	0.6
289.18100	40.3
290.18463	3.7
291.19608	1.6
293.21225	84.7
294.21585	6.0
305.17508	0.3
307.19147	41.3
308.19452	3.0
309.20789	0.9
525.27051	0.8
543.28033	1.3
583.39905	0.6
650.81409	0.4
656.48840	0.3
819.40332	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01244	8.6
59.60353	1.3
61.98703	14.7
69.03322	1.6
71.01251	10.1
71.04892	1.5
71.52389	1.6
73.02816	2.1
74.52425	1.1
85.02802	2.1
89.02313	4.5
95.04885	1.8
97.06487	6.7
101.02328	7.1
109.06465	1.6
111.08051	2.0
113.02289	2.6
113.25668	1.2
125.09651	1.4
151.11182	4.3
155.10680	2.5
161.04439	3.1
163.11194	1.5
165.12720	5.8
167.10692	1.4
169.12210	1.7
171.10170	5.4
179.05556	1.5
179.10716	2.6
179.14386	1.8
181.12241	5.7
191.10741	3.4
195.13846	8.4
197.11719	3.4
205.12280	2.9
209.11775	17.8
210.12045	1.4
211.13272	4.3
223.13374	8.4
227.12827	8.8
235.08173	4.3
239.09396	1.4
245.19154	5.9
253.09262	18.8
256.13000	2.3
263.20264	10.0
265.14304	1.6
275.20111	4.6
277.21689	25.5
279.19626	2.4
287.16473	2.5
289.18161	13.6
291.19534	2.1
293.21228	100.0
294.21600	7.4
305.17749	2.3
307.19138	41.6
308.19492	3.4
309.20578	1.8
323.18546	5.3
342.34036	1.5
409.48294	1.5
445.21207	7.1
491.95065	1.2
525.26593	1.5
543.28503	8.8
623.77356	1.3
651.25470	1.4
721.41766	4.4
801.46942	2.0
819.49847	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	820.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98401	0.3
63.13133	0.1
63.99128	0.4
70.11622	0.1
71.51987	0.1
77.55405	0.1
79.95602	0.1
104.06334	0.1
109.02866	0.1
116.92718	0.1
123.04414	0.2
125.02326	0.5
137.02347	0.1
171.10306	0.1
177.01820	0.1
209.11938	0.1
211.13399	0.1
227.12679	0.1
265.06403	0.1
289.07248	0.3
293.21240	0.2
334.02280	0.1
409.16733	0.1
440.34839	0.1
446.94943	0.1
785.40436	0.3
820.50684	0.2
821.39575	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01252	4.6
61.98704	100.0
62.98402	0.8
63.99121	1.2
66.90990	0.5
67.01769	0.6
71.01255	4.5
73.02834	0.8
78.91778	0.6
78.95780	0.7
79.95583	0.5
80.91572	0.6
80.96416	0.7
83.04885	0.5
84.94994	0.5
85.02853	0.8
87.00739	1.1
89.02329	2.8
95.01261	0.6
96.95890	5.5
96.96815	0.6
101.02362	3.4
111.08041	0.6
113.02319	2.4
115.00253	1.0
119.03376	1.0
121.10126	2.1
125.02366	1.0
125.09640	2.5
134.55756	0.5
137.09593	0.9
145.04921	0.6
161.04474	1.5
167.14359	1.2
171.10181	11.4
172.10579	0.7
177.12762	0.6
185.11717	4.0
192.53070	0.5
195.13802	7.6
197.11754	1.4
209.11868	0.6
211.13339	55.2
212.13715	3.8
221.15381	0.5
223.13339	3.9
223.17014	1.3
233.15369	1.1
235.08238	5.4
251.16544	7.6
252.16814	1.0
253.09273	16.7
254.09514	0.9
256.13116	1.0
273.18536	0.6
275.20172	3.9
276.20471	0.9
277.21756	1.4
289.07086	0.7
289.18079	0.8
290.18344	0.6
291.19659	49.6
292.20074	3.6
293.21228	70.1
294.21564	7.4
309.20694	10.4
310.21127	0.9
407.19254	0.8
443.03680	0.6
447.22321	1.9
527.28699	4.8
528.28876	1.0
529.29681	0.7
607.76538	0.6
652.38171	0.6
821.39594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.3
58.00454	0.5
58.81659	0.3
59.01249	6.4
61.98692	3.0
69.03302	1.1
70.26945	1.4
71.01257	4.6
71.04877	1.0
72.99204	0.5
73.02795	1.0
75.81847	0.3
80.96384	0.5
83.01259	0.8
83.04881	0.6
85.02801	1.5
85.06454	0.6
87.00748	0.8
89.01904	0.4
89.02323	3.4
95.04891	0.4
97.02843	2.3
97.06441	0.4
101.02315	4.3
109.06448	1.0
111.04401	0.5
111.08058	3.0
113.02338	2.5
119.03362	1.1
121.06518	0.4
125.09609	0.5
127.07536	0.5
130.89281	0.4
137.09621	0.7
143.03383	0.7
151.11298	0.3
161.04478	2.3
165.12723	0.8
167.10641	0.7
169.12253	1.2
171.10193	1.3
174.16045	0.3
179.05551	0.8
179.10623	0.6
179.14337	1.2
181.12184	0.9
183.13805	1.0
193.12285	0.4
195.13846	11.2
196.14360	0.5
197.11755	11.1
199.13315	0.8
205.12242	1.2
205.16006	0.6
211.13344	3.3
221.11945	0.4
221.15416	2.1
223.13335	6.9
224.13641	0.6
227.12799	0.4
228.13570	0.7
229.19577	0.5
231.21028	0.4
235.08131	2.2
235.17014	0.4
239.16475	0.5
247.20523	1.6
251.16478	0.5
253.09256	29.5
254.09607	1.6
256.13150	1.3
263.20038	0.8
265.18170	0.4
265.21756	0.5
273.18585	1.0
275.20139	5.5
276.20651	0.4
277.21622	0.4
291.19656	20.7
292.19946	1.7
293.21213	100.0
294.21536	9.4
309.20700	63.3
310.21042	5.3
317.28815	0.3
345.81750	0.4
379.13559	0.4
463.84750	0.4
492.22369	0.6
527.28986	0.5
529.30127	1.5
545.29517	1.4
585.41602	2.2
829.08868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
58.00481	0.5
59.01248	6.7
61.98704	7.8
69.03339	1.2
71.01253	5.4
71.04885	0.4
71.10004	0.4
71.10353	0.3
72.97886	0.3
73.02813	0.8
83.04895	0.3
84.02047	0.4
85.02830	1.3
87.00742	0.8
89.02318	3.3
95.01248	0.3
95.04884	0.4
97.02827	1.2
97.06508	0.5
101.02325	4.2
109.06496	0.6
111.08035	9.0
113.02328	3.1
119.03373	1.1
123.08042	0.3
125.02381	0.6
137.09631	0.5
141.09105	0.5
143.03416	0.8
145.95642	0.3
151.11153	0.5
153.09129	0.4
153.12740	0.8
153.16206	0.3
161.04439	2.9
163.11194	0.4
167.10674	0.6
169.12225	3.5
170.12599	0.3
171.10201	1.3
177.12732	0.5
179.05495	0.9
179.10616	0.3
179.14293	0.9
181.12259	1.1
183.13846	0.7
193.12244	0.5
195.13843	7.8
196.14490	0.9
197.11761	41.0
198.12091	2.1
199.13397	2.2
205.12289	0.9
205.15886	0.4
209.11766	0.6
211.13319	6.9
223.13330	6.1
225.14873	0.5
227.12898	1.5
228.13524	0.8
231.21109	0.7
235.08159	2.5
238.05078	0.4
247.20592	0.9
249.14996	0.9
251.16512	0.4
251.56552	0.3
253.09253	29.0
254.09637	1.6
256.13110	1.3
263.20160	1.8
265.18057	1.1
265.21753	0.6
273.18579	1.2
275.20148	6.6
276.20480	0.6
277.21692	0.4
289.22449	0.3
291.19650	20.4
292.19983	2.6
293.21210	100.0
294.21552	10.1
294.24246	0.2
309.20694	62.9
310.21048	6.7
312.65314	0.3
433.20859	0.9
484.77042	0.4
492.22568	0.5
527.28333	0.5
529.30127	0.8
545.30054	1.4
549.69635	0.3
585.41504	2.2
586.41510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03292	0.9
58.00462	0.6
59.01246	5.7
61.98383	0.3
61.98703	6.9
64.50975	0.2
69.03315	0.7
71.01246	4.1
72.99169	0.3
73.02802	1.0
81.03325	0.3
82.08921	0.3
83.01244	0.4
83.04906	0.4
85.02809	1.1
87.00735	0.8
87.13000	0.2
89.02312	3.6
95.01225	0.3
96.89382	0.2
99.00735	0.4
101.02325	4.8
109.06434	0.4
111.08041	7.5
112.08358	0.3
113.02308	2.9
113.09563	0.4
119.03366	1.2
127.07526	0.7
141.09125	0.4
143.03407	0.4
151.11186	0.4
153.12733	0.7
161.04466	2.6
165.12680	0.4
166.67967	0.3
167.10672	0.8
169.12236	2.5
171.10172	0.3
177.12717	0.3
179.05481	0.8
179.10706	0.3
179.14276	0.6
181.12323	1.4
183.13783	0.7
193.12192	0.3
195.13852	8.0
196.14513	0.9
197.11761	33.4
198.12086	2.3
199.13359	2.5
205.12288	0.8
211.13329	6.1
212.13571	0.4
223.13350	6.4
224.13643	0.4
227.10677	0.3
227.12819	0.8
228.13533	0.6
231.21185	0.6
235.08151	2.0
247.20604	0.3
253.09256	29.5
254.09657	1.6
256.13159	1.2
263.20111	2.8
264.20316	0.4
265.18076	0.7
273.18539	0.5
275.20139	5.9
276.20560	0.4
291.19656	11.4
292.20004	1.6
293.21219	100.0
294.21552	10.8
309.20709	51.4
310.21054	5.1
433.20798	0.4
492.22235	0.7
527.28418	0.7
529.30475	1.0
532.24084	0.3
545.29736	0.9
585.41638	2.7
586.42035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	9.1
61.98702	100.0
66.07356	5.1
71.01249	6.1
98.20644	14.0
98.86236	5.7
101.08119	5.5
109.26581	5.8
113.67647	5.4
125.02338	17.6
151.03920	9.6
156.91734	5.8
171.10202	5.4
177.52313	5.1
179.03464	5.2
186.99583	5.3
191.05641	6.4
193.17946	5.9
197.11871	6.9
209.11801	61.5
211.13396	7.8
224.31352	6.1
227.12939	11.6
235.19774	6.2
253.09254	13.2
289.07236	18.8
291.19760	12.9
309.20679	34.8
550.91705	6.9
823.41620	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.4
59.01253	8.7
61.98717	0.3
68.99690	0.3
69.03323	2.2
70.81232	0.7
71.01256	8.1
72.55022	0.3
72.99189	0.9
73.02817	2.4
81.03380	0.5
83.01254	1.9
83.04896	0.8
84.02030	0.5
85.02823	9.2
85.03635	0.4
87.00758	2.1
89.02323	5.6
91.03918	0.3
95.00515	0.3
95.01241	1.1
95.04902	0.6
96.95908	0.5
97.02820	2.3
97.06462	2.3
99.00779	0.6
101.02325	7.1
111.04429	0.4
113.02336	5.0
115.03926	0.5
119.03395	2.3
123.08017	0.5
125.02333	0.8
125.09604	1.3
127.11173	1.0
131.03427	0.5
133.04971	1.2
137.09612	3.0
143.03433	0.9
145.04993	1.3
155.10678	1.1
155.14311	0.7
157.05002	0.3
161.04463	4.0
163.10931	0.3
165.12794	0.7
167.14352	0.5
171.10187	23.6
172.10567	1.4
177.12776	0.8
179.05527	0.9
183.13863	2.7
185.11795	0.8
193.12222	0.8
197.11757	0.6
199.13322	0.4
201.11310	1.4
203.10739	0.4
209.11696	1.4
211.13345	14.8
212.13657	0.9
221.11804	2.7
227.12869	0.6
229.14427	8.9
230.14680	0.3
233.22722	0.3
235.08200	15.4
236.08536	0.7
239.12851	1.9
247.20607	0.5
253.09271	30.7
254.09644	1.3
259.20685	0.3
275.20328	0.3
277.21722	100.0
278.22064	10.0
291.19638	7.1
292.20068	0.5
293.21170	1.3
295.22678	0.7
309.20703	15.8
310.21042	1.2
311.22183	0.8
327.21762	89.5
328.22089	7.9
351.21695	0.6
358.57730	0.3
370.92444	0.3
410.56476	0.3
513.30579	0.5
545.29620	2.9
546.30176	0.4
551.62384	0.4
563.30817	4.0
564.31122	0.5
587.43091	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	825.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98697	9.3
65.39673	3.3
67.12978	3.1
69.03323	5.4
70.53377	11.7
71.01252	42.1
73.02815	10.4
78.95773	7.2
81.03313	3.8
83.01265	11.1
83.14023	3.4
85.02811	18.3
87.00742	5.9
89.02320	12.3
93.03364	4.7
97.02846	5.8
99.00766	5.2
99.04377	4.0
101.02299	20.6
109.02853	6.5
111.00825	4.6
113.02331	26.2
116.92738	11.5
119.03354	3.7
121.02861	3.5
123.04434	6.8
125.02330	46.6
126.02695	5.8
133.02855	3.7
137.02339	12.3
143.03352	7.1
149.02307	3.8
151.03900	9.9
161.04408	5.8
163.03925	4.1
164.01082	4.5
167.03409	9.2
167.10704	3.8
177.01874	4.7
181.88670	3.7
191.05511	4.1
195.09415	3.0
211.13220	5.9
220.19008	4.0
225.78242	3.4
243.74211	3.5
253.09236	4.8
267.93436	3.6
289.07230	17.0
291.75296	4.0
389.07040	3.8
473.34689	9.0
617.39178	26.8
618.39252	5.5
635.40265	48.2
636.40436	7.6
653.41327	18.9
677.41425	19.8
695.42065	28.7
696.42615	3.8
737.42761	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	829.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.5
60.99178	17.4
61.98702	8.2
66.15604	0.3
67.38316	0.4
87.00749	1.7
88.00282	2.1
88.98680	100.0
89.02320	6.7
89.99010	1.1
98.05174	0.4
106.49521	0.4
125.02377	0.6
130.20473	0.3
191.46301	0.4
209.11729	0.7
211.13309	0.5
229.54082	0.4
293.21268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.8
59.01253	15.2
61.98701	1.6
68.99667	0.2
69.03326	1.3
69.58082	1.3
71.01255	15.9
72.99178	1.5
73.02821	2.6
75.00760	0.5
79.43030	0.2
81.03342	1.0
83.01277	1.5
83.04899	0.3
85.02827	4.2
85.99969	0.3
87.00753	3.9
87.04391	0.2
88.98685	0.8
89.02319	11.9
91.03883	0.4
93.03310	0.2
95.01269	1.4
97.02829	2.7
98.19801	0.3
99.00773	0.9
101.02325	11.8
102.02686	0.3
103.03870	0.2
109.02842	0.5
111.04400	0.4
113.02338	7.8
115.03889	0.4
117.62126	0.2
119.03398	2.9
121.02850	0.5
123.00743	0.2
123.04353	0.3
125.02345	6.8
125.09619	1.3
126.02730	0.3
127.03915	0.2
127.07521	0.2
127.11169	1.9
131.03391	0.5
133.04977	0.4
137.02312	0.3
139.03883	0.5
141.01849	0.2
143.03415	2.5
145.05008	0.2
149.04451	0.3
153.09129	1.0
155.10645	0.2
161.04466	3.9
167.03450	0.5
169.04956	0.3
171.10184	100.0
172.10526	4.3
172.11887	0.4
179.05536	3.3
185.04440	0.2
185.11748	0.3
199.06058	0.6
203.05516	0.5
206.40422	0.2
209.11694	0.3
213.11243	0.7
217.07133	0.9
219.05148	0.2
221.06622	1.0
233.22624	0.2
235.08208	5.7
236.08647	0.2
245.06667	0.4
253.09296	0.9
259.08264	0.8
259.20612	0.4
263.07639	0.4
277.21722	55.4
278.22043	4.2
287.07764	1.9
291.23251	0.4
301.09528	0.4
305.08807	1.8
323.09756	1.2
361.11377	0.5
379.12445	9.6
380.12900	0.8
397.13495	33.6
398.13828	2.4
415.14557	7.5
416.14990	0.7
417.04453	0.2
551.23499	1.3
569.24158	1.6
570.25574	0.2
589.60809	0.2
675.36047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	1.1
59.01252	18.3
61.98701	1.1
69.03333	1.4
71.01254	15.7
72.99183	1.2
73.02827	2.5
75.00761	0.4
77.55919	0.3
81.03336	0.6
83.01271	2.0
83.04910	0.5
85.02824	4.1
87.00758	5.8
87.04387	0.5
88.98687	1.3
89.02320	12.8
95.01266	1.2
97.02823	3.4
98.19815	1.1
99.00763	1.2
101.02324	13.2
109.02837	0.4
110.75561	0.3
111.04430	0.8
113.02332	7.5
115.03889	0.4
116.87831	0.3
119.03381	3.0
121.02814	0.3
123.04415	0.4
124.01519	0.5
125.02342	7.7
125.09628	0.9
127.11201	2.1
131.03415	0.7
133.04953	0.7
139.03923	0.7
141.01863	0.4
143.03398	2.8
149.04482	0.4
151.03868	0.4
153.09163	0.7
161.04495	3.3
167.03459	0.5
171.10193	100.0
172.10522	5.4
179.05534	3.0
185.04433	0.3
199.06064	0.7
217.07083	1.1
221.06641	1.1
229.40118	0.4
235.08189	6.4
245.06502	0.4
253.09265	1.0
259.08145	0.8
269.06171	0.3
277.21719	63.2
278.22064	5.8
287.07697	2.3
291.23212	0.9
305.08881	2.2
323.09760	0.9
361.11169	0.5
379.12454	9.8
380.12610	0.9
381.57031	0.4
397.13504	39.2
398.13849	3.9
415.14587	8.6
416.14581	0.6
551.23315	0.5
569.24500	0.6
675.35669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	13.2
61.98701	2.5
65.64970	0.5
69.03334	0.8
71.01251	3.3
72.99205	0.6
73.02824	0.7
73.12883	0.6
74.77486	0.5
75.00750	1.1
80.06369	0.6
81.03346	1.1
83.01277	0.7
83.04900	1.0
85.02822	0.9
87.00727	1.4
88.98672	1.6
89.02325	2.9
97.02806	1.0
97.06460	1.8
101.02317	3.7
103.79457	0.6
113.02324	1.1
115.11626	0.5
119.03393	0.6
123.04408	0.8
125.02345	0.8
125.09596	1.6
137.09581	1.2
161.04416	1.0
163.11192	2.1
165.12764	1.1
167.14282	0.7
171.10211	3.2
181.12318	0.9
183.13855	5.4
184.14133	0.6
185.11769	2.6
191.14349	2.0
193.12288	2.2
207.10167	1.0
209.11780	5.7
211.13341	100.0
212.13712	5.2
225.11314	1.2
235.08194	3.8
237.11261	1.5
245.19075	5.3
253.09273	9.1
263.20166	1.3
271.17001	0.7
277.21634	2.8
289.18097	28.4
290.18396	2.4
307.19162	26.8
308.19479	2.4
372.87848	0.6
397.13297	0.8
435.86154	0.6
447.22333	5.2
483.30994	1.2
501.32062	1.3
525.27075	1.8
543.27869	1.1
621.32867	3.3
639.33698	0.9
707.20190	0.6
737.41595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	0.6
59.01251	30.9
69.03318	1.1
71.01254	14.3
72.01590	0.3
72.99168	0.8
73.02814	8.3
75.00770	0.5
83.01260	2.7
83.04895	0.9
85.02822	6.4
87.00745	1.5
89.02305	2.9
95.01256	1.1
96.72237	0.2
97.02804	0.9
97.06462	0.5
98.19830	0.5
99.00747	1.6
99.04384	0.8
101.02328	9.9
107.04903	0.5
111.35406	0.2
113.02330	6.3
119.03381	1.0
119.08557	2.3
125.02310	1.0
137.09618	5.0
143.03426	0.6
145.43979	0.3
149.05635	0.3
152.69112	0.3
153.09076	1.0
159.02927	0.3
161.04428	1.0
163.07584	0.4
166.02615	0.3
175.02341	0.4
175.14551	0.2
181.04977	0.4
181.08665	1.6
187.35269	0.3
221.31732	0.3
271.02649	0.3
301.21649	0.5
317.21243	1.1
319.22781	5.4
320.23074	0.7
335.22366	1.7
417.15445	0.5
479.26410	1.7
497.27609	5.6
498.27844	1.2
521.27551	2.8
522.27966	0.6
539.28589	100.0
540.28949	16.4
575.22913	0.3
581.29559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12040	0.3
59.01250	27.0
60.01583	0.4
61.98686	0.4
67.19350	0.3
69.03322	0.3
69.64623	2.0
71.01256	12.1
72.01583	0.3
72.99174	0.8
73.02408	0.3
73.02814	6.8
75.00706	0.4
83.01265	2.5
85.02821	5.0
85.91637	0.3
87.00743	1.0
89.02303	3.5
93.03362	0.3
95.01255	1.4
96.09191	0.3
97.02828	0.9
97.06464	1.0
99.00776	1.5
99.04394	7.3
101.02325	8.4
102.37951	0.3
111.00732	0.4
113.02336	5.0
119.03392	1.2
125.02343	2.3
130.25536	0.3
143.03354	0.7
149.02371	0.4
149.81943	0.3
157.18011	0.3
158.31825	0.3
159.02866	0.5
161.04445	1.2
161.62297	0.3
163.03951	0.4
167.10675	4.2
173.04396	0.5
175.02370	0.4
191.05576	0.4
198.57394	0.3
258.42926	0.3
282.54327	0.3
289.07138	0.4
298.40402	0.3
317.21204	0.3
319.22739	3.2
320.23267	0.4
335.11301	0.3
335.22263	1.4
479.26334	2.2
480.26749	0.5
497.27567	5.5
498.27774	0.5
521.27545	3.5
522.27740	0.6
539.28601	100.0
540.28925	14.7
581.29913	1.7
687.26666	0.3
836.34906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71502	0.7
59.01246	2.3
69.37751	1.6
69.38175	3.4
71.01250	1.3
78.95778	96.6
78.98441	0.9
79.95618	3.8
80.96387	12.6
84.61320	0.6
85.02846	0.6
85.94828	0.6
92.83657	0.5
94.97967	2.3
96.96840	23.7
98.19749	0.6
107.66776	0.7
122.97496	1.2
123.56345	0.6
125.02301	0.9
131.66985	0.6
134.97516	0.9
134.98442	1.6
140.62541	0.6
141.01660	0.9
150.09438	0.5
152.99496	25.7
160.85727	0.6
164.98558	0.8
168.89575	0.8
223.00081	10.1
225.00664	2.9
241.01154	41.5
241.71030	0.8
242.01486	0.9
255.23276	76.1
256.23624	5.9
259.02237	2.8
275.20294	0.8
277.21719	45.9
278.22128	4.3
297.03757	1.6
315.04822	0.7
391.22473	7.5
413.20908	0.9
553.27826	6.3
554.28186	0.7
571.28711	0.7
575.26025	1.8
694.68530	0.8
792.40601	0.7
823.61084	0.7
831.50159	100.0
832.50598	24.7
832.66571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.3
61.98703	100.0
67.19727	0.2
69.76803	0.9
69.77204	0.4
71.01271	0.2
75.00748	1.4
78.95789	0.5
80.14072	0.2
93.87693	0.2
98.20512	0.3
108.31864	0.2
125.02336	1.1
137.02347	0.4
152.99478	0.2
159.10173	0.3
167.03468	0.3
173.04538	0.2
177.01923	0.3
209.11752	0.3
211.13275	0.2
255.23421	0.3
277.21738	0.3
289.07281	0.4
293.21259	0.5
397.13660	0.3
771.52191	0.2
832.50732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.5
61.98703	100.0
67.91882	0.2
71.01310	0.3
75.00739	0.3
75.55290	0.2
78.95795	0.5
88.98694	0.7
93.03333	0.2
125.02366	0.5
171.10240	0.3
173.04553	0.3
183.48590	0.2
191.05730	0.2
211.13397	1.8
212.13712	0.6
267.80731	0.2
277.21652	0.2
282.28366	0.2
289.07251	0.4
292.20123	0.2
309.20715	0.8
369.09827	0.2
505.64948	0.2
832.50494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.209
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78951	0.9
69.03328	1.5
71.52998	1.6
76.93996	0.9
81.03328	3.2
83.01249	8.5
93.03333	7.9
95.01268	3.0
95.04910	4.2
97.02825	7.9
108.02020	2.1
109.02832	22.3
110.03188	1.1
111.04410	0.9
119.04927	1.4
120.02044	2.9
121.02840	5.5
122.03656	1.0
123.04411	20.5
124.01588	1.6
125.02338	68.3
126.02707	2.8
133.02859	8.3
134.03699	1.1
135.04407	3.8
137.02341	40.3
138.02936	1.0
139.03886	4.2
145.02837	2.0
146.03677	1.9
147.04414	1.4
149.02350	7.2
150.03101	1.9
151.03897	10.5
157.06482	1.5
159.04424	4.9
160.05212	2.7
161.02356	3.0
161.05963	7.1
162.03067	1.5
163.00305	7.4
163.03906	3.6
164.01064	87.0
165.01837	19.7
167.03377	1.7
173.04500	6.4
173.05934	1.9
174.03154	1.3
174.04785	1.5
175.03935	5.7
176.01068	4.4
177.01859	11.8
179.03448	6.9
179.05354	0.9
183.04468	1.2
184.05157	1.1
185.05991	4.4
187.03949	6.9
188.04652	3.9
189.05450	1.8
191.05566	1.7
199.03958	1.0
199.07590	2.7
199.76733	1.0
201.05576	1.9
202.99823	2.0
203.03412	1.1
203.07076	15.6
204.07481	1.2
205.01389	3.8
205.05020	6.5
211.03940	1.0
213.05492	2.6
214.02652	2.1
217.05128	2.2
219.02939	1.1
221.08182	1.7
225.05470	1.0
227.03468	1.4
227.07062	4.4
228.04176	2.4
229.05072	5.8
229.08629	1.3
230.05627	1.3
231.03113	2.0
243.02948	3.6
243.06575	1.8
245.08171	16.9
247.06177	1.1
253.04807	2.1
255.02960	2.8
256.03723	2.5
257.04520	1.4
269.04349	1.6
270.05255	1.6
271.06113	59.6
272.06372	4.4
273.04993	1.5
273.07617	6.8
281.04507	1.1
285.04214	3.1
286.04623	1.2
289.07172	100.0
290.07452	8.9
300.02896	1.1
312.06317	1.1
328.05847	1.1
329.06735	2.7
331.08118	1.4
339.08716	1.6
363.08725	1.7
381.09753	1.9
389.06863	2.3
397.09238	8.6
407.07675	17.8
408.08185	2.8
409.09344	1.7
417.10046	6.0
425.08875	3.6
435.10791	15.3
436.08081	3.1
525.12042	1.8
543.12982	40.4
544.13190	6.8
561.13843	12.5
562.14581	2.6
707.17603	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	833.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.6
61.98700	1.6
66.46194	0.6
68.77550	0.6
71.01254	10.0
71.07092	0.9
71.07424	1.2
72.99193	0.7
73.02823	2.4
75.18501	0.6
83.01260	2.4
85.02822	5.6
87.00741	2.9
89.02312	3.1
93.03333	1.3
95.01238	1.1
97.02823	0.7
99.00772	1.1
101.02325	5.1
106.06460	0.6
109.02821	0.8
111.00707	0.9
111.04375	0.6
113.02332	2.7
115.00261	0.8
119.03395	0.7
120.03796	0.7
125.02336	1.9
128.03445	0.7
135.04451	0.8
135.08057	1.3
137.02325	1.1
137.09673	0.7
148.05246	0.7
149.06027	3.5
150.06772	35.7
151.07153	2.0
155.10616	1.5
161.09636	1.0
162.06758	1.1
163.07553	8.4
164.08369	7.2
173.04434	1.5
174.01447	0.8
175.02357	1.1
176.08340	1.8
177.01828	0.7
177.09151	1.6
178.09911	2.5
179.10701	18.4
180.11047	1.2
185.05659	0.7
191.05467	0.9
199.09496	0.6
199.13271	1.1
201.11244	1.1
269.21106	0.7
271.19016	1.0
289.07248	0.8
289.39728	0.8
290.07227	0.8
306.07553	1.2
314.56412	0.8
382.34396	0.8
430.30606	1.4
445.33295	1.2
448.31699	3.3
449.32571	0.7
463.34375	6.9
464.34552	1.0
489.31033	0.9
491.28046	1.2
491.34442	1.5
509.34949	1.9
536.65106	0.7
541.29871	0.8
610.37134	0.9
625.39484	2.4
626.40179	0.8
653.39020	1.9
654.37952	0.7
670.39142	1.8
671.40106	17.2
672.40448	2.9
833.45410	100.0
834.45929	21.9
834.62311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
61.98703	100.0
62.98411	0.3
63.99137	0.4
71.01258	0.3
73.02810	0.1
78.95786	0.3
80.96403	0.2
85.68408	0.2
87.86409	0.1
93.03362	0.2
96.95926	0.3
97.02825	0.2
101.02328	0.2
109.06501	0.2
125.02358	0.6
137.02371	0.2
137.09592	0.1
171.10210	0.3
191.05612	0.2
197.11810	0.2
209.11882	0.1
211.13403	0.5
212.13673	0.2
223.13416	0.1
229.58829	0.1
253.09351	0.5
277.21817	0.4
289.07178	0.2
289.18063	2.3
291.19794	0.5
293.21198	0.1
307.19498	0.2
309.20755	1.6
311.22287	0.1
485.62762	0.1
525.27423	0.2
834.51471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47571	0.1
59.01241	0.1
60.07743	0.1
61.98705	100.0
62.98417	0.1
64.19362	0.1
70.43414	0.2
71.01270	0.1
72.99223	0.1
77.64423	0.1
78.95782	0.1
80.96416	0.1
96.15842	0.1
96.95948	0.2
125.02352	0.4
151.03914	0.2
164.34518	0.1
177.01906	0.1
186.85449	0.1
226.05214	0.1
234.57526	0.1
253.09351	0.1
277.21732	0.1
289.07074	0.1
289.18188	0.4
290.18430	0.2
307.19260	0.2
309.20905	0.2
311.90601	0.1
485.94055	0.1
628.69666	0.1
668.03021	0.1
683.36041	0.1
834.52863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.4
60.64664	1.0
64.04519	1.1
65.00208	1.3
65.05251	1.0
79.90273	1.2
83.01256	2.3
107.01276	2.2
109.02874	1.3
121.02891	1.8
125.02313	2.2
146.16779	1.1
151.00275	9.7
163.00284	2.1
169.01283	1.5
173.04449	1.4
178.99847	5.2
199.03943	1.5
205.00945	1.1
209.08237	1.3
226.02603	1.9
227.03410	2.4
229.76859	1.0
243.02927	10.0
254.02136	2.2
255.02977	19.4
256.03336	1.4
271.02469	46.5
272.02808	5.2
300.02750	98.6
301.03442	39.6
302.03717	3.0
357.94119	1.5
413.26767	1.2
463.08246	2.6
487.14056	1.5
505.09863	100.0
506.10229	12.3
538.60992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.4
59.01251	5.0
61.98703	18.2
62.68567	0.2
69.03339	1.1
69.31269	0.3
71.01252	4.7
71.04899	1.8
71.52738	0.3
72.99180	0.5
73.02850	1.0
80.02551	0.5
81.03349	1.0
82.95307	0.6
83.01258	0.4
83.04913	1.4
84.02076	0.3
85.02831	1.4
87.00768	0.7
89.02309	2.6
92.62476	0.3
95.01276	0.6
95.04904	1.3
96.95897	0.6
97.02828	1.8
97.06480	0.7
98.03661	0.6
99.00811	0.3
101.02321	3.7
106.04121	0.5
107.04929	0.6
109.02883	0.4
109.06477	7.2
110.06870	0.4
111.04399	2.1
111.08045	6.2
113.02338	2.4
119.03405	0.9
121.06503	0.7
123.04428	0.6
123.08054	1.1
125.02335	1.1
125.09607	0.4
127.07537	1.4
127.42117	0.2
133.04944	0.3
135.08073	0.5
137.09634	1.0
143.03450	0.3
143.10667	0.9
145.04979	0.8
145.06509	1.2
149.09624	1.0
151.11186	0.9
153.09175	0.4
153.12784	0.6
161.04488	2.0
163.11232	1.0
165.12799	1.0
167.10692	1.8
169.12262	2.5
171.10184	1.9
177.09103	0.4
177.12758	0.6
179.05518	0.6
179.10672	1.3
179.14333	0.5
181.12297	1.4
182.36002	0.3
183.13832	0.7
185.11761	0.5
193.12277	0.8
195.13840	2.8
197.11761	29.1
198.12044	1.8
199.13300	1.9
207.10127	0.3
209.11801	0.8
211.13341	5.7
212.13730	0.4
217.16003	0.4
223.13309	0.4
227.12772	1.6
235.08189	3.0
235.13358	0.7
245.19052	4.0
247.20695	1.2
249.15025	0.6
251.16560	0.8
253.09256	16.2
254.09561	1.0
263.20044	1.7
265.18124	0.9
271.17029	1.2
273.15073	0.5
273.18692	1.1
277.21716	0.8
287.16455	1.8
289.18088	100.0
290.18423	9.6
291.19653	20.4
292.19998	2.0
293.21191	1.0
307.19125	5.2
308.19318	0.4
309.20700	49.0
310.21060	4.7
346.67044	0.4
433.20883	0.3
525.27008	3.6
526.27234	0.5
545.29614	0.7
581.38477	0.6
805.55627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.6
61.98706	10.4
62.18554	0.3
62.52028	0.3
69.03342	1.1
69.14649	0.3
71.01257	5.1
71.04893	2.2
71.51054	0.4
71.51485	0.4
72.99171	0.4
73.02841	1.0
80.02579	0.6
81.03326	0.8
83.01278	0.4
83.04916	1.1
85.02802	1.7
87.00775	1.2
87.52110	0.4
89.02320	3.0
93.03354	0.5
95.01316	0.4
95.04933	1.0
97.06499	0.8
98.03632	0.8
101.02322	4.8
102.24886	0.3
106.04116	0.5
108.63172	0.3
109.06483	7.6
111.04410	2.4
111.08042	6.9
113.02328	2.1
119.03418	1.0
121.06465	0.5
121.10112	0.4
123.04463	0.5
123.08064	1.6
125.02348	1.0
125.09655	0.3
127.07507	1.6
135.08060	0.5
137.02396	0.5
137.09608	0.8
139.85443	0.4
143.10628	0.9
145.06525	1.6
149.09695	0.8
151.03944	0.4
151.11211	0.7
153.12708	0.7
155.10693	0.5
161.04491	2.2
161.05675	0.4
163.11194	0.8
167.10718	1.4
169.12207	3.2
170.12592	0.3
171.10153	2.1
177.12715	0.6
179.05603	0.6
179.10724	1.4
181.12297	1.6
183.13812	0.6
191.14366	0.6
195.13823	2.5
196.14230	0.3
197.11761	33.0
198.12125	1.7
199.13365	1.8
209.11690	0.7
211.13354	5.6
212.13725	0.5
227.12923	1.0
229.15897	0.4
235.08168	3.4
235.13315	1.1
245.19160	3.6
246.19388	0.4
249.14925	0.6
251.16446	0.6
253.09265	18.1
254.09612	1.1
261.18741	0.5
263.20087	2.6
265.18237	0.8
271.16998	1.6
273.18698	0.6
277.21698	2.1
278.22058	0.9
287.16589	2.4
289.18100	100.0
289.48779	0.4
290.18414	9.9
291.19666	13.4
292.20074	1.0
293.21237	2.3
305.17462	0.5
307.19153	6.3
308.19312	0.8
309.20703	49.7
310.21103	5.0
454.66620	0.4
525.27069	3.5
526.27667	0.6
545.30200	0.6
603.77936	0.4
838.02771	0.4
838.18420	0.5
860.58942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.1
59.01250	14.1
61.44756	0.8
61.98701	21.1
69.03316	2.1
71.01254	12.2
71.52052	0.9
72.71740	0.9
73.02819	1.5
78.95775	1.2
80.02560	1.0
80.67049	0.9
81.03340	1.4
83.01270	2.5
83.04883	2.6
85.02830	2.7
87.00741	2.4
89.02313	6.3
95.01261	1.0
95.04932	1.9
96.95880	1.8
97.02824	3.7
97.06459	5.6
97.65540	0.8
101.02340	8.7
109.06534	1.2
111.08054	17.0
113.02345	3.9
119.03400	1.9
121.06505	2.0
123.04384	3.4
123.08031	1.3
125.02351	2.0
125.09615	5.6
135.08073	1.7
137.09622	3.1
149.09624	1.6
151.11168	2.6
153.12752	1.1
161.04475	4.1
163.11224	7.4
165.12756	4.6
167.10768	1.0
169.12288	7.8
171.10194	1.4
177.12807	2.3
179.05498	1.0
179.10732	1.7
181.12320	4.4
183.13835	2.3
185.11734	6.3
191.10745	2.5
191.14354	8.4
193.12247	2.2
197.11766	83.3
198.12099	2.6
199.13278	5.0
207.10172	2.8
209.11774	24.8
210.12117	2.3
211.13350	11.3
217.15820	1.4
225.11307	3.9
227.12758	4.1
235.08168	5.0
237.11229	6.7
245.19083	15.3
253.09262	35.2
254.09575	1.9
263.20163	13.5
265.17896	2.0
271.17007	2.5
273.18680	1.7
277.21744	1.3
289.18094	77.9
290.18579	7.2
291.19656	32.5
292.19995	3.1
293.21274	1.2
307.19144	85.8
308.19507	7.8
309.20712	100.0
310.21036	8.8
356.36356	0.9
445.20953	1.7
525.26758	2.0
543.27954	3.2
578.81964	0.9
835.47113	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	836.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82554	0.1
61.98703	100.0
62.98414	0.3
87.81518	0.1
88.99350	0.1
120.28900	0.1
171.67357	0.1
277.72095	0.2
495.07019	0.1
508.94977	0.1
514.77386	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	837.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	36.0
61.98698	6.1
63.17415	2.1
67.96456	2.5
71.01252	24.8
72.99186	3.8
83.01279	5.6
83.04905	3.0
83.83690	3.0
85.02825	10.3
87.00747	3.8
89.02339	13.7
94.02906	4.4
94.06503	5.8
95.01273	3.6
96.95871	4.9
98.02341	4.0
101.02327	14.0
103.31286	3.1
104.04934	3.8
106.06503	7.7
107.03628	10.3
108.04423	4.0
108.08075	6.6
109.02851	4.8
110.02338	13.8
111.04390	16.4
112.86366	2.7
113.02329	8.0
119.03391	4.3
120.04472	2.8
120.08076	8.9
122.06004	44.4
122.43393	3.0
125.02342	5.2
132.04425	7.2
134.06013	23.7
135.04437	5.8
136.03915	7.2
137.02310	3.3
137.09619	7.9
148.03935	4.5
150.05550	18.2
152.03447	18.0
152.07082	77.5
153.01836	3.1
154.04984	4.7
155.10684	49.8
160.03981	4.5
161.04712	3.7
162.05540	5.6
164.07101	3.4
168.06613	3.1
173.04439	6.4
174.01437	3.8
174.05443	5.8
176.03419	3.5
177.01788	3.2
179.03415	5.2
184.84151	2.9
190.05038	14.9
191.05518	4.4
199.09709	24.7
201.10262	10.4
213.10127	3.6
223.08755	4.8
225.10387	4.7
227.11714	4.5
229.09734	12.8
229.13303	7.3
237.10175	3.8
239.11829	12.4
241.09805	6.0
245.13092	3.2
253.06038	3.4
255.11319	13.5
257.12973	5.4
265.09872	6.4
267.07724	4.9
268.08588	3.9
273.12357	4.0
278.10526	3.4
279.11469	4.5
281.09393	4.1
281.12857	4.5
283.10818	31.9
291.11322	4.0
295.10699	3.1
301.11929	20.0
307.10913	6.5
309.08771	8.4
309.12238	3.6
319.12921	17.0
325.11975	6.8
328.16608	3.0
339.13379	5.8
343.13907	4.1
355.13095	7.0
372.13461	5.9
373.14075	3.3
374.14911	5.6
400.13016	4.5
416.16132	22.2
504.21341	5.1
517.18524	4.1
543.24414	9.7
581.23657	7.7
599.24811	11.6
615.25079	3.7
625.23022	10.9
639.24591	13.3
643.24146	34.7
644.24091	5.2
657.25647	59.1
658.26123	10.0
675.26715	91.0
676.26843	22.7
699.26294	15.2
717.27942	12.8
743.29443	4.2
761.29993	4.3
787.27826	8.3
805.29163	48.6
806.29907	13.7
819.30200	6.7
837.32068	100.0
837.44537	3.6
838.32007	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	837.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	34.1
67.19492	2.8
71.01257	22.0
80.04945	3.6
80.29795	2.9
81.03292	3.3
83.01256	5.4
83.04889	2.8
84.95504	2.9
85.02809	5.2
87.00752	2.8
89.02332	15.6
94.06553	4.0
98.02394	4.4
101.02332	16.2
106.06563	3.5
107.03639	8.7
108.08002	4.1
110.02359	13.4
111.04424	15.1
113.02334	13.0
115.00226	4.2
119.03345	5.0
120.08084	12.3
121.02815	3.2
122.06001	55.9
125.02373	6.1
132.04462	5.0
134.06015	23.7
135.04445	6.2
136.03967	5.7
137.02269	6.4
137.09612	5.1
148.03938	4.2
150.03140	3.4
150.05521	13.0
152.03439	19.4
152.07069	73.9
153.07341	3.3
154.05022	3.8
155.10693	34.3
161.04575	3.2
171.25735	3.0
173.04495	13.9
174.05589	3.7
176.03404	4.2
190.04999	5.4
191.05493	7.5
194.27278	2.8
199.09720	21.6
201.10245	11.5
209.11839	2.9
213.10329	5.3
223.08713	3.1
224.09540	3.9
225.10237	3.3
227.11974	7.6
229.09685	8.4
229.98364	2.8
233.12941	3.4
237.10249	3.8
239.11821	9.5
240.10347	3.5
241.09686	3.7
250.14163	2.9
251.08266	3.7
253.06232	3.5
253.09673	3.5
255.11345	11.7
257.12982	5.2
265.09805	5.0
273.12396	6.5
279.11316	7.8
281.09482	5.3
281.12866	4.4
283.10950	26.4
287.10275	4.6
289.07138	4.1
295.10852	5.5
301.11945	22.7
307.10678	4.2
309.08752	7.3
319.13052	16.1
325.11722	8.3
339.13635	5.9
374.15024	5.5
388.16760	4.5
392.16260	4.1
398.14810	4.0
400.12823	4.2
401.13443	4.1
414.15045	3.9
416.16345	19.6
417.16510	3.3
437.35272	3.7
449.14810	4.5
543.24438	6.8
557.24609	4.9
581.23834	8.3
599.25098	15.8
625.23163	6.7
639.24640	13.5
643.24225	33.2
644.24042	5.2
657.25592	55.8
658.25830	9.5
665.33429	3.3
673.09583	3.7
675.26794	100.0
676.27191	26.1
699.26678	13.1
717.27710	11.5
718.28308	4.3
743.29156	4.8
805.29547	42.2
806.29675	9.2
819.31445	4.7
837.31989	88.1
837.47131	5.9
838.32452	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.2
61.98700	10.8
69.03320	2.1
70.49320	1.6
71.01244	12.2
71.04930	1.8
73.02824	3.5
83.01271	3.8
83.04886	3.5
85.02818	2.6
87.00764	2.1
89.02319	8.5
93.65442	1.6
96.95892	16.3
97.02823	2.3
97.06477	5.2
101.02312	11.2
109.06517	2.4
111.08033	11.0
113.02346	5.0
113.80199	1.8
119.03428	2.1
123.08101	2.2
125.02363	2.8
125.09654	9.2
137.09561	1.8
143.03345	2.0
160.52299	1.9
161.04463	5.2
163.11180	5.6
165.12793	2.2
167.10645	3.9
169.12323	3.3
171.10240	6.3
185.11807	5.2
191.14386	7.1
193.12228	2.1
195.13846	13.1
196.14117	2.1
197.11763	27.9
198.12090	3.9
201.11293	15.1
207.10156	3.9
209.11751	18.3
211.13371	6.2
223.13437	8.5
225.11388	2.2
227.12811	3.6
235.08205	4.3
237.11455	2.1
245.19096	13.2
253.09247	26.3
255.23312	4.7
256.13113	2.7
263.20245	3.0
275.20175	9.3
277.21692	13.8
289.18091	38.9
290.18600	3.5
291.19675	62.5
292.20059	7.8
293.21222	100.0
294.21643	6.3
307.19153	27.6
308.19397	5.0
309.20679	31.3
310.21075	4.4
323.22079	3.0
341.19727	6.4
397.13608	2.2
437.22885	1.7
450.41202	1.6
470.77576	1.6
516.60583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00955	0.3
59.01251	5.7
64.38258	0.2
68.99692	0.2
69.03323	1.2
70.81079	0.4
71.01254	5.6
72.62177	0.2
72.99190	0.5
73.02834	1.3
83.01262	0.8
83.04886	0.8
84.02041	4.0
85.02827	1.6
87.00748	1.2
89.02312	3.6
91.01048	0.2
91.03899	0.3
91.34456	0.2
95.01259	0.4
95.04889	0.3
97.02821	1.8
97.06467	5.2
98.06818	0.4
98.10638	0.2
99.00752	0.4
99.04396	1.1
99.35458	0.2
101.02324	5.1
103.03865	0.2
108.87867	0.2
111.00728	0.2
111.08053	0.3
113.01616	0.3
113.02338	3.1
119.03380	1.5
119.08549	0.5
121.10126	0.3
125.02316	0.4
125.09597	1.0
127.11173	0.5
133.04964	0.6
135.08051	0.3
137.09608	0.6
143.03404	0.6
145.04959	0.8
147.08022	0.2
149.13367	0.3
151.11169	0.3
161.04494	2.5
163.11145	0.2
165.12750	0.5
171.10182	12.7
171.79185	0.2
172.10527	0.5
175.11223	0.3
177.12749	0.5
179.05472	0.6
183.13809	1.2
185.11794	0.6
193.12276	8.2
194.12621	0.3
197.11800	0.3
197.15294	0.3
211.13368	2.9
221.11755	0.8
225.14914	11.7
226.15302	0.5
233.22646	0.3
235.08200	10.1
236.08575	0.6
243.13460	0.3
243.15976	4.8
244.16376	0.4
247.20767	0.2
253.09262	17.1
253.14503	0.8
254.09621	0.8
259.20593	0.3
272.16370	0.2
273.18649	0.5
275.20157	0.4
277.21716	100.0
278.22064	8.1
283.37363	0.2
291.19653	2.0
305.21161	0.6
323.22205	2.5
324.22687	0.3
341.23315	85.5
342.23639	6.7
350.15234	0.2
395.31824	0.2
477.82904	0.2
513.30341	0.4
559.31128	0.4
577.32257	1.5
578.32330	0.4
601.44897	3.3
602.44788	0.8
754.66083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01567	1.3
61.98701	3.3
69.03316	2.3
69.69574	0.9
69.86652	4.3
70.38116	0.8
71.01254	58.5
72.99183	4.4
73.02819	16.3
75.00756	1.6
81.03339	1.6
83.01259	8.7
84.02029	1.4
85.02824	22.1
85.99983	1.3
87.00755	8.9
87.04379	2.4
89.02318	24.8
95.01255	7.7
95.04839	0.7
97.02820	5.2
99.00757	3.8
99.04401	1.0
101.02323	33.2
101.05948	1.0
109.02836	1.5
111.00780	3.6
113.02335	33.8
116.92748	1.5
119.03405	8.8
121.02837	0.7
124.01578	2.1
125.02337	17.6
131.03398	0.9
137.02409	0.8
139.03880	0.9
141.01822	1.7
143.03412	5.8
145.10353	0.8
149.04477	0.8
149.65454	0.9
151.03905	0.9
159.02876	1.0
161.02361	0.9
161.04448	5.6
172.96817	0.7
173.04474	1.3
179.05511	2.1
219.21042	1.0
267.23248	1.1
314.45624	0.8
325.27490	1.3
341.26825	1.0
343.28467	5.2
469.31448	2.0
487.32724	13.5
488.33447	2.0
505.33664	7.1
506.34177	1.2
529.33234	1.1
547.35010	1.7
613.35413	1.5
631.36975	31.4
632.37421	7.6
649.38025	71.9
650.38416	15.8
667.39081	25.8
668.39502	2.9
691.39001	21.8
692.39648	4.7
695.32251	1.2
709.40125	47.0
710.40430	9.6
751.41388	7.7
752.40967	1.3
857.67169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.15610	1.0
61.98698	3.8
69.03326	3.9
71.01251	51.6
72.99176	4.3
73.02821	14.4
77.46165	1.2
81.03349	1.2
83.01262	8.8
85.02827	21.5
85.99944	1.6
87.00735	7.9
87.04395	2.6
89.02314	17.7
90.02689	1.7
95.01257	4.0
96.95883	2.4
97.02831	3.9
99.00748	4.4
101.02319	26.8
101.05937	1.3
106.80521	1.1
111.00755	1.9
113.02326	31.0
119.03387	5.1
123.00744	1.4
124.01529	3.4
125.02350	11.8
141.01851	1.1
143.03384	5.1
149.04521	1.3
159.02901	1.3
161.04489	7.4
174.01614	1.3
210.24936	1.2
229.60271	1.7
274.45532	1.1
281.24954	1.4
311.26199	1.4
323.26016	1.0
325.27441	1.8
343.28506	4.6
350.24313	1.1
380.22955	1.0
396.90451	1.0
469.31714	3.0
487.32794	15.4
505.33926	8.2
506.34769	1.3
547.34491	4.3
595.34900	1.7
613.35809	1.6
631.36786	25.5
632.37390	3.8
649.38013	58.6
650.38055	10.3
667.39124	19.5
668.38983	1.8
691.38928	19.2
692.39484	3.1
709.40149	37.1
710.40729	7.1
722.33167	1.1
751.41089	7.4
752.41516	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	839.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00960	0.5
59.01246	6.2
61.98702	16.4
65.27898	0.3
69.03339	1.4
71.01255	5.6
73.02802	1.1
79.17379	0.3
79.63630	0.3
81.03327	0.4
83.01242	1.1
83.04876	0.5
85.02345	0.5
85.02827	6.0
87.00727	1.4
89.02319	3.8
93.30033	0.3
95.01245	0.6
95.04894	0.5
97.02815	0.9
97.06473	2.5
99.00739	0.4
101.02310	4.9
109.06497	0.4
111.08024	0.4
112.41685	0.3
113.02328	2.7
113.09605	0.5
119.03368	1.2
125.02335	0.7
125.09567	1.3
127.11152	1.0
131.03450	0.3
137.09604	1.3
143.03391	0.6
155.10658	1.1
155.14253	0.3
161.04439	3.0
165.12704	0.7
167.10600	0.4
171.10173	15.6
172.10516	0.8
177.12762	0.8
179.05528	0.9
179.14340	0.8
181.12180	0.4
183.13864	2.1
185.11725	0.7
193.12251	0.7
195.13843	7.6
196.14288	0.7
197.11832	0.6
198.24109	0.4
201.11206	0.6
203.10683	0.3
205.12245	0.6
209.11752	1.3
211.13332	13.6
212.13704	1.0
221.11761	2.2
223.13338	5.8
224.13887	0.5
228.13574	0.6
229.14410	9.7
230.14737	0.6
235.08177	6.7
239.12991	1.7
247.20598	0.4
253.09258	32.9
254.09605	0.9
256.13123	0.6
275.20160	5.1
276.20435	0.4
291.19656	4.3
292.19986	0.4
293.21216	100.0
294.21564	8.0
309.20718	6.7
310.20950	0.5
327.21747	76.4
328.22083	6.1
439.54694	0.4
492.22241	0.7
529.30151	2.1
545.29810	1.2
563.30719	4.6
564.30951	0.5
603.42596	3.9
604.43237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01562	1.5
61.98703	3.8
69.03326	3.7
69.24779	6.4
69.25203	8.0
70.67397	1.5
71.00854	2.2
71.01251	44.4
72.99181	6.1
73.02821	11.1
83.01250	8.0
85.02826	19.0
87.00767	5.9
89.02317	16.0
95.01292	7.8
96.95896	4.1
97.02821	5.6
99.00752	5.1
101.02318	20.4
101.05909	1.5
111.00768	3.4
112.01574	2.6
113.02327	27.0
118.78586	1.4
119.03384	5.5
121.02834	1.4
124.01574	3.8
125.02339	18.3
143.03392	6.4
143.04388	1.8
161.04431	5.2
177.01904	1.9
179.05547	2.5
239.31546	1.8
345.30188	8.3
479.00040	1.8
489.34442	10.5
507.35391	10.8
508.35464	1.9
633.38507	30.7
634.38544	7.4
651.39563	64.5
652.40125	10.9
669.40533	20.2
670.41333	3.6
693.40765	20.6
694.41132	4.1
711.41632	38.7
712.42023	9.2
753.42499	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	841.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.98706	2.3
62.08652	1.0
69.03329	3.8
71.01254	54.0
72.99188	3.8
73.02824	10.4
75.00753	1.2
83.01268	8.0
85.02823	24.1
87.00759	6.5
89.02317	20.3
89.02840	1.5
91.99500	1.1
93.03335	1.5
95.01241	5.7
96.95882	2.7
97.02832	3.2
99.00756	4.5
101.02322	27.3
103.55489	1.2
111.00793	3.0
111.66216	1.0
113.02332	29.2
119.03378	7.5
124.01573	4.0
125.02332	9.7
143.03423	5.3
150.06805	1.0
161.04457	5.5
167.03375	1.1
173.04424	1.4
191.05592	2.2
239.20126	1.4
253.70947	1.1
289.07315	1.0
329.27222	1.7
345.30185	5.0
383.47723	1.0
416.87402	1.1
463.90695	1.1
471.33337	2.4
489.34268	8.4
490.34778	1.4
507.35641	3.2
597.36401	1.4
615.37408	1.6
633.38556	26.6
634.39154	5.4
651.39557	50.4
652.39819	9.6
669.40698	15.6
670.40881	3.4
693.40723	31.2
694.40955	7.1
711.41742	37.9
712.42334	8.3
732.30688	1.2
753.42749	8.4
754.42926	1.9
773.20087	1.5
823.43896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76224	1.0
59.01253	100.0
60.01591	1.4
61.60563	1.1
61.98713	1.4
69.03316	3.4
71.01258	38.8
72.01591	1.2
72.99181	3.3
73.02824	8.8
83.01275	9.7
85.02834	21.3
85.99947	1.4
87.00747	6.0
89.02322	9.8
95.01270	6.3
96.95889	2.4
97.02823	4.8
99.00760	3.6
101.02323	19.8
111.00768	2.0
112.01554	1.5
113.02334	24.0
114.02727	1.2
119.03359	2.1
123.00752	1.2
123.12491	1.1
124.01557	3.7
125.02345	11.0
126.02757	1.2
135.04411	2.3
137.02351	1.6
143.03436	6.0
151.03935	1.2
155.10631	1.1
161.04497	4.1
173.04482	1.4
191.05602	1.6
206.99652	1.1
260.35522	1.1
299.25961	1.7
325.03058	1.2
345.30054	5.5
449.27505	2.5
489.34225	7.8
507.35611	6.5
597.36304	2.5
615.37164	2.6
633.38544	39.3
634.38928	7.3
651.39600	66.7
652.40070	11.3
669.40619	14.5
670.40833	4.3
693.40515	22.2
694.40979	5.2
711.41602	27.1
712.42084	4.0
753.42633	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	841.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.4
63.96109	2.4
65.59281	1.5
71.01259	5.1
71.51655	2.4
78.95777	2.9
78.98462	7.2
79.95617	8.9
80.96395	74.2
85.02818	3.4
87.00731	2.7
94.97973	14.2
97.00082	1.4
97.02844	2.8
101.02345	1.5
106.97939	2.4
122.97435	3.2
125.02342	3.8
134.97466	6.0
145.18082	1.6
148.99042	5.9
152.98512	6.6
164.98523	13.6
203.15891	1.8
206.99590	2.3
225.00699	20.6
721.09882	1.8
841.51312	100.0
842.51831	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	845.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.4
59.49608	1.2
61.98702	15.7
65.78017	1.2
71.01250	16.9
71.53256	1.5
72.99176	1.4
73.02821	1.7
73.10245	1.2
75.00745	3.7
79.48550	1.3
80.35180	1.2
83.04900	1.8
85.02821	2.2
85.98218	1.2
87.00751	3.3
88.98670	4.5
89.02309	11.5
97.02823	3.4
97.06462	18.2
101.02318	9.2
113.02324	3.8
119.03390	2.3
123.08038	5.7
125.02318	4.2
125.09616	100.0
126.09954	4.4
143.03467	1.5
143.10645	1.9
148.74971	1.5
161.04440	3.0
169.08582	2.5
169.10989	1.6
171.10188	3.8
172.48567	1.3
177.53023	1.2
187.09691	64.7
188.10014	2.6
191.05528	1.8
207.10051	1.3
209.11774	3.6
221.06581	4.6
253.09279	2.4
277.21762	11.0
397.13541	3.1
500.07074	1.4
512.30133	1.7
524.49353	1.5
567.23157	2.5
585.24066	6.1
628.83215	1.5
644.95966	1.5
845.45398	93.9
846.45648	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
60.99191	0.3
61.98703	100.0
62.98413	0.2
63.54046	0.2
65.34045	0.2
68.58627	0.2
71.01256	2.1
72.99185	0.6
73.02827	0.4
75.00751	0.7
85.02832	0.4
87.00774	0.5
88.98683	1.5
89.02325	1.6
95.01293	0.2
97.02839	0.4
101.02324	1.3
113.02363	0.7
118.30264	0.2
119.03406	0.4
125.02358	0.8
127.11187	0.2
137.02390	0.2
143.03387	0.2
161.04544	0.2
171.10181	8.1
172.10541	1.9
179.05562	0.3
190.04495	0.2
195.13901	0.6
196.14177	0.3
209.11983	0.2
211.13377	0.4
223.13440	0.5
224.13847	0.5
235.08186	0.4
236.08426	0.3
253.09288	0.3
275.20154	0.5
276.20422	0.3
293.21231	8.2
294.21576	6.0
295.21732	0.2
379.12277	0.2
397.13495	2.8
398.13864	1.6
413.94382	0.2
415.14377	1.2
416.15076	0.6
437.07883	0.2
786.41620	0.4
815.02808	0.2
838.39716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
61.98702	1.3
67.01767	1.5
67.44004	0.6
69.78462	0.6
71.01241	2.5
71.52235	1.5
71.85445	0.5
73.02839	2.2
78.95786	1.6
78.96214	0.7
79.86622	0.6
83.01265	1.1
85.02833	2.0
87.00780	0.6
89.02329	1.0
93.03338	1.1
93.09818	0.6
95.01262	0.9
99.00163	0.6
101.02332	2.4
109.02853	5.2
113.02284	1.3
121.02848	1.3
123.00779	2.3
124.01563	0.8
125.02358	2.0
131.04933	1.1
131.94249	0.7
135.04424	2.4
136.01555	1.6
137.02348	27.1
138.02892	0.9
139.00243	0.8
139.03923	1.0
149.02371	1.2
150.03131	2.7
151.00281	14.7
151.03932	4.0
152.01080	1.6
152.04678	2.4
153.01884	1.2
159.04384	1.1
161.04486	0.8
162.03072	0.6
163.03873	1.0
164.01118	2.2
164.04716	0.8
165.01849	100.0
165.05449	4.8
166.02626	39.1
167.03314	3.8
173.04465	1.2
175.02434	1.4
175.03917	2.3
176.04721	0.8
177.01891	2.7
177.05492	1.8
179.03433	21.3
179.07065	1.4
180.04204	56.1
181.04987	46.5
182.05286	2.2
184.03755	1.2
187.03922	2.1
190.06250	1.7
191.03481	1.0
191.05516	1.9
192.04196	1.2
193.04996	1.8
194.05779	4.9
195.03012	3.3
195.06561	76.9
196.06905	3.5
202.06433	0.6
205.04953	5.3
205.08675	1.0
206.05698	0.8
207.06593	2.2
209.08017	0.9
210.05293	12.9
211.05933	1.3
219.06538	1.0
220.07413	3.9
221.08040	0.8
225.07648	63.8
226.07921	4.0
297.03772	0.8
344.09253	0.9
359.11520	1.7
371.11218	0.9
372.12503	1.0
386.13434	1.6
387.10095	6.3
387.15106	7.0
388.11108	1.3
393.79889	0.7
402.13254	4.6
403.13803	2.6
416.14774	3.7
417.15536	63.7
418.15894	8.0
544.95044	0.8
547.16913	0.8
555.28088	8.0
556.28302	1.1
565.18042	2.5
580.19702	1.1
595.21869	59.3
596.22382	9.8
613.22882	0.7
625.23151	1.3
643.23987	21.7
644.24683	3.6
775.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	9.5
74.90381	5.3
78.95768	91.2
79.95565	8.2
80.96394	27.0
94.97944	10.0
96.96838	17.5
136.72108	7.0
152.99500	25.7
195.13902	12.1
196.24202	6.1
225.00626	6.7
229.39514	6.4
241.01155	35.2
245.54916	5.8
255.23262	63.7
275.20407	6.2
293.21234	25.9
417.40097	6.5
476.85617	7.2
524.31262	6.7
604.32660	6.6
847.49725	100.0
848.49451	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98401	0.3
63.99131	0.5
71.01258	0.2
71.51968	0.2
71.52308	0.2
72.99177	0.2
75.00735	0.3
80.96394	0.2
85.97615	0.2
88.98689	0.6
93.03295	0.3
102.75695	0.2
125.02315	0.4
127.07562	0.2
137.02303	0.2
144.93260	0.2
159.82193	0.2
168.63419	0.2
173.04498	0.5
253.09256	0.2
271.94324	0.2
336.71689	0.2
397.13571	0.2
548.69531	0.2
587.61896	0.2
639.42725	0.2
745.96149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
75.78680	0.5
81.03342	1.0
83.01273	3.5
85.30876	0.5
89.03848	0.6
93.03361	2.6
95.01270	0.8
95.04904	1.0
97.02818	2.3
107.04935	1.3
108.02047	0.6
109.02831	11.9
119.04893	0.5
121.02882	2.6
123.04406	9.0
124.01586	0.6
125.02339	100.0
126.02675	3.0
133.02834	4.9
133.06563	0.7
133.73805	0.5
135.04427	2.0
137.02339	16.3
138.02667	0.6
139.03883	1.2
140.03131	0.6
143.04965	0.8
145.02879	1.3
146.03577	0.6
147.04405	1.2
149.02354	4.2
149.04492	1.2
151.03912	7.7
159.04436	2.3
161.02354	24.1
161.06004	2.2
162.03111	2.4
163.00299	2.0
163.03943	4.3
164.01073	15.8
165.01859	7.7
167.03380	1.6
173.05988	0.9
174.03165	1.2
175.03923	9.2
175.07457	0.8
176.01001	0.9
177.01851	7.9
177.05507	1.1
179.03413	3.7
185.06006	1.2
186.06834	0.5
187.03918	4.3
188.04674	1.6
189.01881	1.3
189.05479	1.5
191.03378	0.9
199.03938	2.0
200.04442	0.5
201.01857	0.8
201.05563	1.9
202.06348	1.1
203.03542	3.0
203.05287	0.6
203.07094	5.7
204.04007	0.7
205.01364	1.3
205.05037	4.2
211.03896	0.6
212.04741	0.6
213.05502	1.0
214.02739	0.6
215.03549	0.7
217.01454	0.5
217.04994	5.9
219.02956	1.7
219.06662	1.2
221.08168	1.2
225.05548	0.9
227.03452	1.2
227.07098	1.3
228.04201	0.8
229.05067	3.0
230.05788	0.7
231.02936	1.0
231.06549	0.7
241.04997	0.8
243.02948	6.8
243.06592	1.2
244.03500	0.9
245.04510	5.4
245.08185	7.0
246.05121	0.6
246.08484	1.0
247.06061	0.8
253.05002	0.8
255.03012	4.7
256.03723	2.3
257.04529	1.8
261.04080	1.6
269.04593	2.3
271.06140	6.8
273.04105	1.6
273.07626	0.7
281.04575	2.3
283.02625	1.3
285.04022	1.9
287.05621	20.2
288.06046	1.2
289.07172	28.5
290.07535	2.2
297.04233	0.7
299.05499	4.1
305.06601	0.9
311.05600	0.9
315.08755	1.1
329.06607	0.8
338.58307	0.6
339.08511	1.4
341.06662	2.0
365.22211	0.5
379.08160	1.0
381.09784	1.4
391.08328	0.9
397.09311	10.9
398.09695	1.1
405.06149	1.3
407.07681	16.3
407.12717	1.0
408.08066	2.1
419.07703	0.7
423.07132	2.4
425.08807	10.6
426.09207	1.4
433.09262	5.8
434.09528	0.7
449.08627	0.8
451.10248	9.2
452.10928	1.4
510.23340	0.5
517.11743	0.9
520.86462	0.5
525.08362	0.7
527.09644	0.7
543.09351	0.9
545.10962	1.3
553.11261	2.1
559.12463	9.4
560.12927	1.5
571.12292	2.5
577.13489	9.1
578.13672	1.9
600.12390	0.6
679.14526	1.2
695.13617	1.2
697.15503	1.6
723.17328	2.3
724.17139	0.6
762.96387	0.6
849.20496	1.5
874.02209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25237	1.0
71.52964	1.2
78.92288	1.1
81.03317	2.9
83.01267	5.4
93.03328	2.7
95.01262	1.6
95.04883	2.8
97.02834	6.6
107.04903	1.8
108.02046	1.6
109.02837	18.5
117.03302	1.1
119.04903	1.4
120.02068	1.9
121.02856	5.7
122.03559	1.4
123.00774	1.6
123.04416	15.8
125.02337	100.0
126.02645	2.8
131.04935	1.8
133.02849	9.1
135.04419	3.2
137.02341	24.0
138.03059	1.5
139.03889	3.8
143.04897	1.6
145.02882	2.4
146.03558	1.0
147.04405	1.3
149.02353	7.7
150.03105	1.5
151.03897	10.8
159.04375	4.1
161.02348	23.0
161.05991	3.4
162.03062	1.8
163.00285	7.4
163.03885	4.3
163.99680	1.8
164.01059	36.1
164.66969	0.9
165.01868	9.7
167.03426	1.6
173.02306	3.0
173.06082	1.5
174.02946	1.7
175.03944	11.5
176.01068	2.5
177.01872	13.0
178.02336	1.6
179.03424	3.5
185.05997	3.1
187.03914	8.5
187.07640	1.0
188.04617	4.6
189.01891	1.5
189.05441	1.5
190.02594	2.0
199.03970	2.8
201.01836	1.2
201.05530	2.5
202.06247	1.1
203.03497	1.8
203.07043	10.0
205.01416	4.9
205.05031	4.8
205.08681	1.1
211.03966	1.6
214.02644	5.2
215.03366	2.0
217.01271	0.9
217.04988	2.7
219.02963	1.5
227.03384	2.9
227.07191	1.5
228.04324	1.4
229.05009	5.4
239.03496	1.3
242.01976	1.3
242.05792	1.2
243.02930	6.5
243.06566	1.1
245.04509	5.2
245.08214	8.9
253.05093	1.2
255.02946	5.4
256.03781	5.2
257.04526	4.0
261.03998	3.8
267.03070	1.3
269.04538	1.5
271.06097	12.9
273.03946	2.2
273.07623	2.9
282.01703	2.0
283.02328	1.4
285.04047	4.2
287.05640	16.2
288.05942	2.6
289.07184	45.2
290.07520	2.6
300.02646	3.1
321.07669	1.6
363.08099	1.3
378.18799	1.2
389.06641	4.3
397.08939	1.9
407.07700	29.7
408.07956	4.1
413.08722	3.5
425.08740	3.0
433.09186	8.9
435.10828	4.7
436.07767	1.7
451.10486	1.3
543.12421	3.4
559.12482	17.7
560.12836	2.1
561.14050	8.3
562.14032	1.2
679.14313	3.7
723.16882	2.0
849.21362	1.5
867.35388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.7
71.31942	0.9
71.32278	0.6
81.03324	0.9
83.01260	4.8
89.03821	0.5
93.03345	2.0
95.01273	1.0
95.04894	1.6
97.02842	2.7
107.04919	1.7
108.02068	0.8
109.02840	11.3
110.03145	0.6
117.03366	1.0
119.04906	0.8
120.02048	0.6
121.02817	2.3
122.03613	0.6
123.00803	0.8
123.04415	9.7
124.01476	0.6
125.02338	100.0
126.02664	3.0
131.04863	0.8
133.02840	5.0
135.04414	2.3
137.02347	16.6
138.02814	0.5
139.03925	1.5
139.82875	0.5
143.04910	0.7
145.02863	1.0
146.03644	1.0
147.04370	1.5
149.02376	2.8
151.03918	7.8
152.04132	0.6
157.06567	0.6
159.04454	2.4
160.05098	0.5
161.02354	22.0
161.05968	2.6
162.03026	2.2
163.00299	2.5
163.03911	3.4
164.01060	17.5
165.01836	6.6
167.03418	0.9
173.02400	0.5
173.04474	0.6
173.05956	1.0
174.03136	1.0
175.03935	10.2
175.07494	0.6
176.01006	1.0
177.01869	8.4
177.05504	1.1
179.03488	2.4
183.04491	0.8
185.05980	1.3
187.03947	4.4
188.04715	1.7
189.01874	2.4
189.05479	0.9
190.02654	1.1
191.03459	1.0
193.04909	0.6
199.03970	2.2
199.07556	0.8
201.01846	0.9
201.05554	2.3
202.06282	0.7
203.03450	1.8
203.07069	5.7
205.01382	1.6
205.04918	3.5
211.03954	1.1
212.04791	0.6
213.05478	1.0
214.02649	1.8
215.03450	1.6
217.01425	1.1
217.04977	4.0
219.02931	1.8
219.06549	0.6
221.08215	0.7
225.05376	0.8
227.03441	1.5
227.07108	1.8
228.04211	0.8
229.04938	4.0
230.05688	1.0
231.02966	0.6
231.06680	0.6
241.04991	0.8
243.02922	6.0
243.06633	1.0
244.03574	0.7
245.04532	5.2
245.08165	6.9
247.06093	1.2
253.05075	1.0
255.02962	5.2
256.03693	3.1
257.04550	2.0
261.04077	1.9
269.04645	2.2
271.06088	9.1
272.06342	0.8
273.04095	1.7
273.07727	0.5
281.04639	1.9
282.01764	1.4
283.02579	1.1
285.04031	1.6
287.05621	20.9
288.05951	1.0
289.07172	30.4
290.07550	1.9
299.05573	4.0
300.02777	1.2
315.08783	1.0
329.06763	0.8
339.08847	1.2
341.06577	1.4
341.75491	0.5
379.08353	1.7
381.09903	0.9
389.06598	3.1
391.08524	1.0
397.09290	9.5
398.09598	1.1
405.06210	2.0
407.02188	1.2
407.07642	20.6
408.07993	2.5
419.07675	0.9
423.07272	1.4
425.08820	9.2
426.08984	0.8
433.09262	8.7
434.10019	0.6
435.11020	1.2
449.08963	0.8
451.10336	6.0
452.10638	0.8
517.11786	0.7
525.08191	0.8
527.10266	0.8
541.11047	1.2
543.09625	0.5
545.11023	1.1
553.11438	2.3
559.12421	12.8
560.12836	1.3
561.14825	0.8
571.12561	2.9
577.13470	7.9
578.13763	1.9
679.14392	3.3
680.15918	0.6
697.15753	2.8
723.16809	3.0
784.31891	0.6
849.20697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.21550	1.8
59.50034	2.3
71.19781	4.8
78.64665	2.0
83.01275	4.4
88.87712	2.0
95.04881	2.6
97.02845	5.4
104.01505	2.0
109.02844	17.8
121.02861	5.2
123.04446	13.5
125.02334	43.7
126.02702	3.7
133.02866	4.6
135.04402	2.2
137.02345	17.3
139.03946	3.0
149.02344	6.5
151.03885	9.6
152.95386	1.9
161.02379	6.8
161.05978	4.9
164.01068	13.9
165.01826	6.4
171.79256	2.0
175.03960	7.3
177.01843	4.5
179.03426	7.6
187.03928	6.5
188.04659	2.6
189.05443	2.2
191.05594	2.4
196.88879	1.9
202.06377	2.9
203.07121	9.7
205.01369	3.3
205.05014	7.0
221.08086	2.3
229.05133	2.6
245.08232	16.2
246.08385	2.1
255.03043	3.2
271.06183	13.3
272.06451	2.5
273.07690	6.9
287.05609	2.7
289.07187	100.0
290.07651	9.0
329.06940	2.7
407.07883	15.6
408.07922	3.4
425.08798	6.5
435.05441	2.1
435.10873	21.7
436.11380	3.2
528.40881	2.0
543.13141	4.6
561.14081	21.8
562.13855	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	852.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98400	0.1
63.35508	0.1
71.31877	0.1
71.32235	0.2
80.96387	0.1
161.10521	0.1
270.53168	0.1
283.00250	0.1
298.20859	0.1
325.99399	0.1
462.18787	0.1
853.48181	0.2
857.16174	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	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	39.4
63.99125	1.3
71.01247	5.7
71.04890	1.2
71.52415	1.0
73.02819	1.7
78.95775	2.0
79.95622	0.9
80.91546	0.7
81.03331	1.8
82.37057	0.6
83.01253	1.9
83.04923	1.5
85.02827	6.6
87.00768	1.4
89.02323	3.1
95.04879	1.2
96.95889	21.9
96.96858	1.7
97.02801	1.2
97.06477	1.5
98.82005	0.8
101.02348	6.4
109.06465	7.0
111.04410	2.7
111.08004	0.8
113.02322	3.2
119.03342	0.9
122.13143	0.7
123.04436	0.7
123.08000	1.2
123.59348	0.7
125.02372	1.9
127.07540	1.1
127.11202	1.0
137.09644	2.3
143.10602	0.9
149.09615	1.2
151.11346	0.8
155.10692	1.3
161.04488	2.6
167.10672	2.1
171.10188	13.9
177.12791	1.0
181.12294	1.5
183.13820	2.3
190.33795	0.7
193.12251	1.5
195.13852	1.9
195.55501	0.7
197.11699	1.2
201.11330	0.8
205.04378	0.8
209.11769	2.8
211.13342	13.4
212.13600	0.9
221.11772	2.0
229.14424	9.1
230.14545	0.9
235.08232	8.1
235.13301	0.8
239.12898	2.0
245.19061	4.0
253.09248	23.4
254.09406	0.9
271.17084	0.8
273.18463	0.8
287.16617	1.8
289.18103	100.0
290.18472	8.7
291.19739	4.7
307.19193	6.0
309.20755	9.0
325.20209	1.1
327.21768	78.4
328.22107	6.6
333.45609	0.7
525.26904	3.7
526.27832	1.1
545.29675	1.1
563.30939	3.4
589.43677	1.0
599.39508	1.4
711.20984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	15.4
66.20715	0.8
69.03315	4.7
71.01255	15.7
71.04893	2.0
72.99167	1.2
73.02821	2.7
75.00740	2.2
80.02551	1.5
80.91547	3.4
81.03320	2.6
83.01250	3.2
83.04887	4.0
84.02028	1.8
85.02826	12.4
87.00750	3.2
89.02328	7.6
91.05409	1.5
93.03319	1.8
95.01251	2.7
95.04894	3.0
96.95875	3.5
97.02831	6.5
97.06463	7.7
98.20709	1.6
101.02333	14.1
103.00179	1.0
106.04153	0.9
109.02832	1.2
109.06483	9.9
111.04381	2.0
111.08044	6.0
113.02326	7.5
116.92717	1.3
119.03371	2.7
121.10176	1.2
123.04374	3.7
123.08024	2.2
125.02317	4.3
125.09629	6.5
127.07545	2.4
127.11168	1.5
135.08113	1.4
137.09630	6.2
139.11171	1.2
143.03384	1.4
151.11171	2.6
153.09058	1.8
153.12660	1.1
155.10710	1.2
160.08850	1.0
161.04462	7.7
161.09753	0.9
163.11162	8.3
165.12691	4.8
165.83530	1.0
167.10646	1.7
169.12331	5.2
171.10179	32.0
172.10497	2.1
175.11197	1.5
177.12814	1.2
179.05490	2.0
179.10645	1.6
181.12230	4.8
183.13831	3.9
185.11769	7.5
189.12683	1.3
191.10741	2.2
191.14348	6.4
193.12206	1.6
195.13809	1.2
197.11771	44.4
198.12132	2.3
199.13274	2.4
201.11168	2.3
207.10204	2.6
209.11766	30.3
210.12144	1.5
211.13341	30.3
211.15392	1.5
212.13498	1.4
221.11766	2.4
223.13306	2.1
225.11327	2.8
227.12875	5.5
229.14371	8.5
235.08214	14.9
235.13312	5.1
237.11211	3.2
237.14835	3.4
239.12917	2.7
245.19110	13.0
247.20642	1.8
253.09265	52.8
254.09607	3.0
263.20145	6.3
271.17169	1.9
279.19662	1.6
289.07242	1.8
289.18088	59.3
290.18494	6.3
291.19653	25.0
292.20035	2.4
293.21277	9.0
307.19144	65.5
308.19443	6.6
309.20703	70.7
310.21170	6.2
325.20190	60.2
326.20496	5.8
327.21765	100.0
328.22144	8.7
341.19720	3.0
445.20740	2.0
483.45071	1.1
525.26837	1.7
543.27991	6.2
545.29755	2.0
561.29187	3.1
563.30664	2.7
617.40607	2.9
755.42767	1.7
853.49463	3.7
854.49261	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98127	0.3
61.98692	0.9
69.03333	1.8
71.01255	5.4
72.99171	0.3
73.02818	0.8
75.00758	0.6
81.03314	0.4
83.01252	0.7
83.04905	1.3
84.02048	4.0
85.02832	1.5
87.00731	0.7
89.02323	4.0
91.82341	0.3
93.03332	0.3
95.01218	0.7
95.04896	0.6
96.95883	1.3
97.02850	1.3
97.06467	7.0
98.19769	0.7
99.00768	0.5
99.04409	1.2
101.02322	4.6
111.08039	0.9
113.02327	2.6
119.03373	0.9
119.08517	0.4
123.08022	0.3
125.02311	0.4
125.09618	1.7
125.80268	0.3
137.09601	0.8
143.03412	0.6
149.13290	0.4
151.11191	0.4
161.04457	2.7
163.11127	0.4
165.12752	0.6
171.10190	15.7
175.11259	0.8
177.12817	0.6
179.05518	0.9
179.14293	0.9
183.13799	0.7
185.11745	0.5
193.12288	9.6
194.12526	0.4
195.13847	6.8
196.14540	0.6
197.15456	0.5
203.10780	0.4
205.12297	0.7
205.16046	0.5
211.13338	3.3
217.16142	0.3
221.11787	1.2
223.13373	4.8
224.13695	0.4
225.14922	15.0
226.15225	1.1
228.13618	0.3
228.98863	0.3
231.21358	0.3
235.08217	2.0
235.19037	0.3
239.12758	0.4
243.16020	7.5
244.16423	0.5
253.09267	30.8
253.14142	1.5
254.09679	1.3
256.13138	0.9
265.21527	0.4
273.18729	0.7
275.20148	5.0
277.21609	0.6
291.19586	2.4
293.21228	89.1
294.21588	6.6
305.21222	0.4
307.19266	0.3
309.20749	0.4
323.22208	1.2
341.23309	100.0
342.23669	9.2
388.83981	0.3
529.30353	0.8
577.32318	4.2
578.33240	0.6
617.44226	7.1
618.44543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01570	2.9
61.98697	3.9
67.01754	3.7
69.03320	6.4
69.27887	5.4
69.28288	17.6
71.01254	88.8
72.99174	9.8
73.02814	21.4
81.03296	2.7
81.70661	2.2
83.01251	12.5
85.02828	48.2
87.00764	15.6
87.04394	4.7
89.02319	48.5
93.03322	6.0
95.01256	11.5
96.95883	3.9
97.02863	5.8
99.00752	6.0
101.02326	51.2
109.02830	3.4
113.02333	58.5
119.03387	14.5
124.01527	3.7
125.02333	22.8
135.04445	2.6
137.02333	6.9
139.00348	2.6
143.03368	8.3
151.03938	3.3
157.71388	2.3
161.04486	7.9
173.04462	7.9
175.02380	2.8
179.03336	2.5
179.05553	5.9
190.86194	2.3
191.05525	7.1
225.15935	2.4
289.07196	4.7
485.31116	7.3
503.32086	24.1
521.33276	7.5
576.13062	4.3
612.35339	3.0
629.34692	3.0
647.36426	78.3
648.36926	11.3
665.37476	100.0
666.38300	16.7
683.38531	15.6
707.38574	36.7
708.39215	7.2
725.39429	36.4
726.40082	10.5
767.40033	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	855.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	27.3
62.07502	18.6
71.01279	22.7
71.52964	27.7
74.03549	16.4
82.12086	17.3
85.02842	18.8
96.95911	56.0
98.95467	20.0
116.92696	21.4
154.08507	21.9
167.84476	18.6
235.07866	21.6
253.09225	27.0
277.21738	100.0
278.22012	47.0
279.22476	28.2
289.18091	38.1
293.21353	39.2
307.19122	40.5
357.22791	60.3
358.23242	56.0
359.23056	23.5
519.53650	20.7
855.47192	79.3
856.48071	33.1
857.45300	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	855.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	3.1
63.74025	0.3
65.95175	0.4
66.82098	0.3
69.03325	3.3
70.27142	1.4
71.01254	8.2
71.04879	0.4
72.99168	0.6
73.02793	1.5
76.43639	0.4
81.03315	0.5
83.01241	1.3
83.04901	0.7
84.02023	0.7
85.02819	10.0
86.03111	0.4
87.00754	1.9
89.02318	5.8
95.01244	0.7
95.04906	0.8
96.95903	2.3
97.02831	5.5
97.06468	3.3
98.95466	0.4
99.00709	0.5
99.08062	0.5
101.01712	0.7
101.02325	8.1
109.06470	0.5
111.00744	0.3
111.07304	0.4
111.08047	5.9
113.02343	3.8
116.92695	0.6
119.03362	1.6
119.08533	0.7
119.87573	0.4
123.04393	0.6
123.08064	0.6
125.02312	0.8
125.09603	1.7
127.07446	0.5
127.11127	1.5
133.05005	0.4
137.09637	3.8
141.09087	0.5
143.03357	0.6
145.04930	1.4
151.11130	0.5
153.09081	0.5
153.12726	0.7
155.10654	1.0
161.04443	3.9
163.11172	1.4
165.09094	0.4
165.12764	4.3
166.13066	0.4
167.10609	0.6
167.14304	0.9
167.57878	0.4
169.12280	2.0
171.10182	31.1
172.10471	1.2
177.12766	1.0
179.05524	1.0
179.14372	0.5
181.12300	1.8
183.13843	3.6
185.11670	1.1
191.10869	0.4
191.14369	0.5
193.12219	1.8
193.15843	0.6
195.13828	0.8
197.11769	30.4
198.12086	1.6
199.13364	2.1
201.11250	1.2
201.83252	0.3
209.11768	3.2
211.13335	20.2
212.13626	1.2
221.11806	2.4
223.13318	0.7
227.12823	3.0
229.14410	10.2
229.19594	0.4
230.14732	0.6
235.08199	10.5
236.08604	0.7
239.12830	2.3
247.20628	2.4
251.16504	0.5
253.09258	35.1
254.09586	1.7
263.20065	1.6
273.18665	1.7
291.19666	31.3
292.19925	3.4
293.21207	2.5
294.21451	0.4
306.04227	0.4
306.07507	0.4
309.20706	94.6
310.21048	8.8
327.21753	100.0
328.22113	8.6
343.21262	1.7
433.20697	0.7
545.29663	5.2
546.29913	0.5
563.30664	5.7
564.31036	1.2
619.42059	4.6
620.42938	1.0
654.59973	0.4
855.50403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36965	0.9
68.45334	1.0
69.64039	5.9
83.53477	0.9
85.21124	0.9
133.02869	1.1
148.62497	1.0
151.00252	4.5
164.00977	1.0
178.99734	1.4
179.65364	0.9
199.03951	4.0
215.03371	1.4
217.46228	0.9
227.03473	4.5
243.02931	5.9
255.02968	2.9
270.43185	1.0
271.02481	63.1
272.02808	4.3
299.01981	100.0
300.02557	16.7
301.03516	5.0
462.08002	17.0
463.08255	1.9
651.15857	9.7
652.15814	2.4
813.20984	37.0
814.21405	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	857.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
73.24668	0.9
93.03337	1.3
107.01272	2.0
109.02800	1.0
121.02853	1.1
122.08808	0.9
125.02380	2.0
126.11930	0.9
148.01588	1.5
149.04485	1.0
151.00284	4.3
152.00645	0.8
154.99059	0.8
163.03876	1.3
164.01060	0.9
173.04472	2.3
177.01926	1.2
178.99791	3.4
216.04318	1.1
226.02664	1.2
227.03505	3.5
243.02962	10.0
254.02243	1.5
255.02983	25.5
256.03171	2.3
271.02475	62.1
272.02936	4.5
289.07153	1.4
299.01984	5.5
300.02740	100.0
301.03165	12.2
609.14209	1.3
651.15637	79.7
652.16046	9.4
813.21289	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	857.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	21.8
71.01255	8.4
73.02799	6.0
89.56229	5.2
99.92410	6.7
114.93280	15.6
116.92010	9.1
116.92751	100.0
125.02410	8.5
125.15508	5.8
171.10185	7.5
184.16003	6.2
211.13396	19.2
241.14369	7.1
241.46727	6.6
253.09306	15.3
277.21771	26.0
278.22070	9.7
281.16507	5.8
291.19739	20.3
293.21201	39.2
296.23001	6.9
309.20715	22.8
531.33191	8.1
857.48114	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93610	6.6
61.98701	17.0
71.01237	19.0
71.51353	8.3
71.51781	9.7
79.81094	6.4
80.61549	6.5
89.02309	24.2
99.92435	11.4
101.02330	8.9
116.92748	74.8
125.02376	11.5
133.13326	6.9
136.96164	7.4
138.58327	6.8
149.04475	13.6
197.11780	10.9
199.13367	100.0
235.08072	8.1
253.09299	11.2
277.21692	45.4
280.15222	7.5
291.19730	14.0
293.21234	46.9
293.24054	8.0
309.20691	35.0
343.24777	8.9
397.13553	28.9
480.88202	7.6
857.26392	7.9
857.48291	36.4
888.74109	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	859.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98729	9.8
67.18181	6.0
75.00750	7.7
76.63616	6.1
84.68259	5.9
88.25474	6.0
101.02309	9.3
103.00246	12.0
103.03872	6.4
116.92737	19.1
147.82913	5.8
161.98370	5.8
171.10168	10.6
177.94313	6.5
211.13310	14.1
225.35553	8.1
229.14426	7.6
235.08188	18.4
253.09224	45.3
277.21738	82.4
278.21899	14.0
291.19641	9.5
298.40506	6.8
309.20700	18.5
327.21802	100.0
328.22131	8.6
334.60812	6.6
459.36047	7.5
504.94254	7.6
545.29529	18.5
563.30750	23.0
823.52136	8.2
859.49457	42.2
867.30133	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	861.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53458	1.1
72.79699	0.7
79.87305	0.6
82.08573	0.6
83.01277	1.0
107.01276	1.3
108.02044	0.7
109.02827	1.3
121.02833	0.9
135.00760	0.8
147.04419	3.1
148.01559	1.1
149.02348	0.8
151.00282	7.8
163.00276	1.3
164.01022	0.7
165.05510	2.3
169.01305	0.7
178.99796	3.9
180.79660	0.7
207.06555	1.3
226.02768	1.1
227.03424	1.6
229.04999	1.1
243.02924	6.8
254.02168	0.9
255.02972	18.6
255.64003	0.6
256.03271	1.0
261.69894	0.7
271.02460	34.7
272.02859	3.3
273.03961	0.9
283.02414	1.1
299.02036	0.8
300.02750	66.7
301.03445	27.4
302.03830	2.0
332.69009	0.8
609.14587	100.0
610.14905	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99168	1.7
69.85529	9.7
93.03327	2.3
107.01263	2.4
109.02804	1.8
110.67873	1.7
135.04408	4.5
151.00307	6.8
163.00256	2.6
178.99709	2.0
185.06084	2.2
191.05563	4.7
213.08844	1.9
227.03462	15.6
229.04997	6.0
255.02972	38.5
256.03406	5.3
257.04630	3.1
271.02515	5.2
284.03296	58.4
285.03989	65.2
286.04343	5.6
299.01910	11.5
314.04144	3.4
326.08124	2.8
329.02927	3.5
384.25018	1.8
392.34689	1.7
444.49719	1.8
477.10504	14.0
489.10416	100.0
490.10660	13.8
523.29956	2.0
571.27136	2.0
818.87653	2.8
876.22937	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	863.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97497	2.3
65.43548	2.4
71.51559	5.1
78.95776	100.0
80.96392	2.6
84.62211	2.7
94.25813	2.5
96.96844	22.7
111.07992	3.8
152.99518	17.4
193.36641	2.7
197.11806	17.9
209.11859	3.6
211.13503	3.0
217.00288	5.0
223.00015	8.6
241.01157	29.3
241.74208	2.8
255.23279	40.7
259.02313	3.8
291.19540	4.4
300.06903	2.6
309.20700	6.3
315.04865	3.4
323.13947	3.0
323.21616	3.2
401.51587	2.5
468.93073	2.7
483.45755	3.8
632.60162	3.1
863.49127	91.4
864.49292	15.9
876.31335	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	1.0
68.99696	0.4
69.03323	1.0
70.39358	0.8
71.01254	17.3
72.01592	0.4
72.99181	1.6
73.02815	2.7
75.00748	0.4
80.02551	1.0
81.03328	1.9
83.01264	1.8
83.04897	4.3
84.02036	0.8
84.28416	0.3
84.94101	0.2
85.02824	4.1
87.00753	3.9
89.02318	13.3
91.03887	0.3
93.03344	0.3
95.01258	1.0
95.04896	0.7
97.02840	2.6
99.00754	1.2
101.02323	12.1
109.06522	0.4
111.04409	0.5
113.02340	6.3
119.03384	4.2
124.01511	0.5
125.02341	6.4
125.05985	0.6
131.03438	0.4
133.04976	0.3
135.08064	0.8
139.03912	0.6
141.01839	0.4
143.03398	2.1
145.04883	0.3
147.11778	0.5
149.04420	0.4
161.04445	3.0
163.11194	3.5
164.11551	0.4
165.12761	1.9
166.13071	0.3
167.03429	0.4
179.05528	2.9
181.12280	0.6
185.04485	0.4
191.10715	1.1
193.55824	0.2
199.06041	0.4
207.10173	0.3
209.11768	100.0
210.12108	5.9
217.07164	0.9
221.06624	1.5
227.12831	12.3
228.13257	0.6
235.08170	5.2
245.06737	0.4
253.09256	0.8
255.23270	56.9
256.23605	4.3
259.08099	0.3
259.26767	0.2
269.24890	0.6
287.07700	1.8
297.24231	0.4
305.08780	1.8
323.09772	0.9
379.12473	8.1
380.12854	0.4
397.13489	38.7
398.13742	2.7
415.14575	7.8
416.15042	0.7
510.74521	0.3
589.25024	0.7
607.26477	0.5
635.36688	0.4
653.37738	1.5
734.63422	0.3
863.49548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	5.1
69.03347	1.2
71.01256	16.2
71.52390	1.0
73.02825	2.9
80.02566	1.5
81.03324	1.6
83.01250	2.2
83.04893	5.1
85.02843	3.6
87.00744	4.7
89.02320	14.1
95.01270	1.2
95.04911	1.5
97.02832	3.4
99.00755	1.4
101.02323	14.2
102.83482	1.0
113.02321	8.9
119.03417	4.8
125.02355	7.4
135.08098	1.7
143.03392	3.2
161.04460	3.3
163.11176	3.0
165.12759	2.2
179.05504	3.1
209.11772	100.0
210.12115	5.4
217.07182	1.2
227.12831	14.9
235.08232	4.9
255.23283	58.2
256.23621	3.4
287.07901	1.3
305.08859	1.7
323.09744	1.6
379.12466	8.1
397.13504	42.1
398.13666	2.0
415.14670	8.5
604.50555	1.1
607.25958	1.6
703.06604	1.2
711.58435	1.2
863.48535	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04319	0.3
61.98702	0.5
69.03313	1.3
71.01252	13.1
72.99184	1.4
73.02810	1.7
74.59531	0.3
75.00787	0.2
80.02541	0.9
81.03323	1.9
83.01239	1.3
83.04891	5.0
84.02045	0.5
85.02824	3.4
85.99985	0.3
87.00741	3.3
89.02315	12.7
93.03313	0.3
95.01256	1.2
95.04916	0.7
97.02817	2.1
98.19852	0.7
99.00771	0.9
101.02323	10.5
109.06476	0.4
111.04354	0.3
113.02331	5.4
115.64961	0.2
119.03397	2.5
125.02338	4.9
125.05994	0.5
131.03380	0.7
135.08073	0.5
139.03920	0.5
143.03387	2.2
151.04062	0.2
161.04501	3.1
163.11206	3.8
165.12782	2.8
167.03438	0.3
179.05544	4.1
181.12276	0.7
191.10713	1.1
209.11768	100.0
210.12114	5.7
217.07150	0.8
221.06635	1.2
227.12852	13.1
228.13177	0.6
235.08174	4.4
236.08447	0.4
251.12695	0.6
253.09277	0.9
255.23267	43.8
256.23587	3.3
259.08331	0.8
263.07761	0.4
287.07718	1.5
305.08749	1.8
323.09860	0.7
379.12430	6.9
397.13477	32.0
398.13928	1.9
415.14505	6.6
416.14990	0.4
589.25201	0.9
607.25745	1.6
635.36407	0.4
653.37579	0.8
732.24518	0.3
863.49030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	1.8
70.48370	2.6
71.01260	4.5
80.96384	1.4
81.03288	0.9
85.02827	1.1
87.00766	1.2
89.02304	2.2
101.02340	4.2
109.06487	3.9
111.04424	1.1
113.02316	1.2
116.03616	0.8
118.84232	0.7
145.06503	1.0
161.04433	1.6
195.13818	1.4
209.11760	1.2
235.08231	5.3
245.19121	2.3
253.09258	9.7
255.23228	1.0
277.21725	100.0
278.22113	9.4
289.18103	65.3
290.18436	6.1
307.19180	2.8
312.76074	0.8
465.74655	0.9
525.27319	1.9
863.49634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01780	0.8
71.01116	1.5
81.03338	2.2
82.73419	0.5
83.01253	4.7
91.01780	0.6
93.03342	2.0
95.01252	1.0
95.04910	1.5
97.02836	2.2
105.03349	1.1
107.04921	2.7
108.02013	0.9
109.02837	14.4
117.03316	1.2
119.04942	0.6
120.02050	0.9
121.02850	2.4
123.00772	0.7
123.04424	9.2
124.01547	0.7
125.02335	100.0
126.02641	4.0
131.04926	1.5
133.02841	7.1
135.00798	0.7
135.04424	2.7
135.99409	0.6
137.02350	15.5
138.02713	0.6
139.03905	2.1
145.02849	0.9
147.04414	1.9
149.02332	5.6
149.05949	0.9
150.03073	0.9
151.03911	13.5
157.06487	0.7
159.04411	3.6
160.01549	0.6
160.05222	0.6
161.02348	34.0
161.05949	1.9
162.03110	2.7
163.00290	3.6
163.03923	4.7
164.01079	8.7
165.01854	6.3
167.03465	2.8
173.02263	0.7
173.05995	1.1
174.03122	1.1
175.03922	16.5
175.07530	0.6
176.00995	0.7
176.04399	0.8
177.01851	17.6
177.05515	1.7
178.02226	1.2
179.03355	2.5
187.03934	4.6
188.04698	2.3
189.01872	2.7
189.05507	1.2
190.02617	0.7
191.03415	1.1
193.05032	1.2
197.05957	0.5
199.03893	5.3
200.04578	0.9
201.01877	1.5
201.05547	2.5
203.03372	2.9
203.07074	3.9
205.01337	1.7
205.05026	4.2
211.03906	1.0
212.04594	0.8
213.05510	1.7
214.02652	0.7
215.03444	1.6
215.06938	0.6
217.01611	0.6
217.05013	8.4
219.02946	3.3
219.06505	1.2
221.08167	0.7
225.05515	1.0
227.03481	2.3
228.04068	0.9
229.05006	2.0
231.02937	1.4
241.05051	1.2
243.02954	19.6
243.06749	1.2
244.03378	1.7
245.04553	11.9
245.08156	4.0
246.04887	0.9
247.05978	0.9
253.04970	1.2
255.03008	7.2
256.03708	2.9
257.04480	1.8
261.04019	7.6
264.04211	0.6
267.03082	0.6
269.04468	3.1
271.06131	1.6
273.04111	2.0
281.04492	2.8
282.01709	2.1
283.02518	2.5
285.04156	2.7
286.04779	0.5
287.05621	32.0
288.05978	2.3
289.07172	23.2
290.07587	2.0
295.02567	0.7
295.05826	0.8
297.03912	0.6
299.05649	4.7
303.05200	1.9
305.06815	1.7
315.08545	0.6
327.05112	1.0
327.08789	0.9
329.06656	1.6
339.08829	1.3
341.06644	1.5
361.87509	0.5
363.05118	1.2
381.05737	1.0
381.09921	1.5
387.04980	0.8
391.04517	0.9
395.07666	1.5
397.09198	1.5
405.06033	6.1
405.10236	0.6
406.06500	1.2
407.07678	21.3
408.08160	2.4
413.08777	6.6
414.09100	1.1
417.06262	0.9
423.07193	7.2
424.07816	0.7
425.08810	11.2
426.09045	1.5
433.09323	0.8
435.07144	1.3
449.08804	7.6
450.08847	1.0
451.10358	8.5
467.09802	1.7
488.94193	0.5
500.97391	0.6
525.07977	2.5
533.10925	1.1
543.09192	5.6
544.10260	0.7
557.10864	0.8
559.12482	2.0
561.10193	2.0
569.11151	1.9
575.11798	9.3
576.12360	1.2
577.13470	8.3
578.14032	1.8
587.11713	4.6
593.13354	0.7
677.12573	1.1
695.13977	8.6
696.14691	2.1
713.14911	3.9
714.16321	0.9
739.17010	2.4
740.17444	0.8
822.80402	0.8
829.47278	0.7
865.20264	2.7
866.20691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26189	1.2
69.51563	8.8
83.01253	4.6
93.03323	2.5
95.01271	1.4
95.04869	1.9
97.02812	2.1
98.19836	1.6
105.03334	1.2
107.04897	2.3
109.02844	12.0
117.03321	1.5
120.76251	1.4
121.02843	3.0
123.04414	8.5
125.02340	100.0
126.02666	4.4
131.04846	1.4
133.02844	7.0
135.04411	2.9
137.02356	17.5
139.03926	3.3
147.04459	1.8
149.02348	6.0
149.06007	1.2
151.03902	14.7
159.04419	4.2
161.02361	31.3
161.05894	1.6
162.03102	2.3
163.00284	2.8
163.03897	4.7
164.01054	11.4
165.01813	6.0
167.03433	2.2
169.55682	1.2
173.05968	2.4
174.03030	1.5
175.03934	19.3
177.01859	22.0
179.03386	3.2
184.71318	1.1
185.06042	1.3
187.03958	6.0
188.04683	2.4
189.01950	3.6
193.04955	2.4
199.03880	7.8
201.05486	2.3
203.03387	3.2
203.07063	4.4
205.04955	2.2
211.04001	1.7
215.03322	2.2
217.04979	9.5
219.02827	3.2
227.03427	2.8
229.04982	4.4
231.03014	1.4
241.05150	1.3
243.02974	24.4
243.06728	1.8
244.03307	1.8
245.04459	9.0
245.08116	4.0
255.02917	9.7
256.03494	1.9
257.04523	2.3
261.04022	5.4
269.04449	3.7
273.03903	1.6
280.30835	1.3
281.04651	2.9
282.01614	1.6
283.02274	1.6
285.04288	1.6
287.05649	19.8
288.05807	1.9
289.07166	16.3
297.04059	1.5
299.05441	2.3
337.07166	1.7
363.05258	1.3
405.06171	6.8
407.07788	14.3
408.07986	1.5
413.08676	3.3
423.07141	5.2
425.08963	6.2
449.08719	5.5
451.10278	4.4
525.07849	1.5
543.09546	2.1
575.12000	5.4
577.13416	4.0
587.11841	2.8
695.14337	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	865.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17048	1.1
66.91245	1.3
67.01863	1.2
69.20954	7.0
69.21382	4.9
80.77578	1.4
83.01260	5.0
90.15013	1.4
92.98981	1.3
93.03346	3.8
95.01218	1.3
95.04921	2.5
97.02837	3.8
100.05226	1.2
105.03297	1.4
107.04939	2.0
109.02837	16.3
109.04029	1.4
121.02841	5.5
122.03600	1.7
123.04408	16.5
125.02335	100.0
126.02670	4.1
133.02832	5.7
135.04393	4.3
137.02347	23.3
149.02321	7.9
149.04433	1.5
151.03915	12.8
158.03448	1.5
159.04372	1.8
161.02362	29.3
161.03682	1.9
161.05984	3.2
162.03006	2.2
163.00262	3.5
163.03902	5.7
164.01079	7.0
165.01834	6.9
172.28534	1.4
173.05843	1.5
175.03935	11.6
176.01056	2.7
177.01852	33.6
178.02176	2.3
179.03441	3.5
185.05844	1.5
187.03928	9.7
188.04683	1.6
189.01859	2.7
189.05417	1.9
191.03545	2.8
199.03864	1.9
201.05482	2.0
203.03427	2.5
203.07066	5.8
205.01317	3.7
205.04993	5.6
211.03987	1.9
213.05444	2.8
215.03369	1.6
217.05005	2.6
219.02957	1.6
225.05637	1.6
227.03493	3.2
228.03992	2.3
229.05011	4.1
231.02861	2.7
243.02980	6.5
245.04460	11.4
245.08174	9.4
253.05093	1.8
255.02936	16.8
256.03745	6.8
257.04498	4.1
261.03958	2.7
269.04477	3.2
271.06021	3.2
273.04010	4.0
281.04541	5.8
283.02515	3.5
285.04028	5.7
285.07242	1.4
287.05606	8.8
289.07184	35.7
290.07245	2.0
297.04080	1.6
299.05615	7.6
303.05051	2.4
305.07022	1.6
329.06573	2.6
339.08643	3.6
348.06366	1.5
381.09845	4.1
401.18207	2.4
407.07712	65.4
408.08011	7.9
417.05600	1.8
419.08026	2.1
423.07077	1.6
425.08716	19.6
426.09277	1.9
435.06619	2.6
447.06494	1.8
449.08807	3.8
451.10321	19.4
457.09262	2.3
461.08853	2.4
467.09991	3.1
525.08350	8.2
543.09198	12.9
544.09637	2.2
546.10938	1.4
553.11414	1.8
559.12311	2.6
561.10175	7.3
569.10864	12.7
570.11426	1.7
577.13611	11.7
578.13605	1.6
587.11926	13.3
588.12579	2.5
593.13135	2.6
613.13446	2.0
679.14435	5.3
695.13989	12.6
696.14282	2.4
713.15100	2.2
739.16968	4.5
780.50421	1.4
865.19476	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	865.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47362	10.0
72.94080	1.6
83.01228	3.2
93.03334	5.0
94.86855	1.7
95.01263	2.3
97.02848	3.1
109.02834	14.7
111.00697	1.6
118.11935	1.7
121.02842	5.7
123.00756	2.4
123.04375	12.1
125.02343	100.0
126.02709	3.3
133.02870	3.3
135.04372	4.3
137.02347	22.2
139.00240	1.7
139.03986	2.4
141.01842	4.5
145.02852	2.1
147.04485	2.0
149.02347	7.2
151.03966	9.9
153.01810	5.8
161.02345	14.7
161.06058	2.4
162.03102	1.8
163.00150	3.6
163.03897	4.0
164.01057	13.4
165.01810	7.8
167.03476	2.5
173.02299	2.1
175.03928	12.6
176.01053	2.5
177.01857	54.0
178.02190	3.1
179.03375	3.6
187.03899	4.9
189.01935	1.7
191.03419	4.0
199.03894	2.7
201.01796	2.4
201.05437	1.5
202.06062	2.2
203.03384	2.5
203.07083	7.4
205.01308	1.6
205.05016	3.3
211.03844	1.9
213.05423	3.2
217.05002	5.9
219.02917	4.6
227.03479	3.0
229.05092	3.7
243.02940	13.0
245.04485	5.6
245.08116	6.8
255.02934	6.8
256.03641	3.0
257.04489	1.5
261.04050	4.1
265.93375	1.9
269.04410	2.6
271.06134	6.5
273.04022	2.6
281.04541	1.7
283.02542	1.8
285.04065	3.9
287.05609	9.1
289.07169	40.3
290.07333	1.9
303.05093	17.8
334.41016	1.7
395.79446	1.7
397.09235	8.8
405.05997	2.3
407.07675	23.1
408.07843	3.8
413.08740	2.0
423.07016	3.0
425.08820	7.8
449.08560	4.3
467.09662	2.6
525.08563	2.5
527.09631	1.9
543.09589	3.2
575.11938	6.0
577.13403	3.7
593.12738	5.6
679.14307	2.3
695.14166	4.8
697.15033	3.1
739.16986	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52624	2.0
81.03322	2.0
83.01256	2.3
89.02296	1.6
93.03327	12.2
95.91113	1.5
99.00715	1.3
103.85708	1.5
107.04910	2.2
109.02830	13.1
119.04951	2.3
121.02837	4.6
123.04415	9.0
125.02333	100.0
126.02674	2.4
131.04907	1.9
133.02792	5.3
135.02800	1.4
135.04431	3.3
137.02344	17.5
139.03946	3.3
139.15756	1.4
149.02328	5.2
149.04413	1.9
150.02933	1.6
151.03896	9.4
159.04456	3.5
160.63716	1.4
161.02351	28.7
162.02945	1.6
163.00258	4.2
163.03883	5.2
164.01086	8.8
165.01802	6.5
167.03362	2.7
175.03932	17.3
177.01842	21.2
187.03876	3.9
188.04564	2.7
189.01822	2.7
191.03410	2.4
191.05473	3.0
193.04890	2.0
199.03969	4.9
199.09749	1.8
201.01880	1.8
201.05446	2.2
203.03355	3.0
203.07065	3.0
205.01266	2.6
205.05000	3.5
213.05574	1.6
214.02814	1.5
215.03342	1.8
217.05006	7.7
219.02841	3.7
226.59529	1.5
227.07065	1.6
228.03969	1.6
229.05061	3.2
231.02972	1.9
243.02936	18.6
244.03387	2.1
245.04477	10.7
245.08138	5.5
255.03014	8.5
255.06717	1.6
256.03488	2.3
257.04465	2.3
261.04068	7.1
269.04623	3.0
271.06082	2.0
281.04559	2.7
283.02368	3.3
285.03870	3.2
287.05612	28.0
288.05948	2.3
289.07178	23.8
290.07690	1.6
299.05356	3.1
303.05206	1.9
327.90225	1.5
329.06918	1.5
397.09119	1.6
405.05917	7.1
407.07660	22.1
408.07959	1.9
413.08676	5.9
423.07278	7.0
425.08798	10.8
449.08759	6.0
451.10236	6.4
535.61505	1.9
543.09406	4.7
559.12164	2.0
575.11713	7.1
577.13446	8.9
578.13922	1.8
587.11786	2.5
593.12903	2.2
679.14630	2.2
695.13849	8.9
696.15057	1.7
713.15100	3.0
739.16650	2.7
865.19458	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	865.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	2.5
67.46835	0.6
69.03326	1.0
71.01260	5.1
71.04900	0.7
73.02821	1.7
77.43243	0.6
79.95628	0.8
80.96385	2.9
83.01219	0.7
83.04879	0.9
85.02829	1.9
87.00762	1.4
89.02311	2.5
94.42155	0.6
97.02812	4.3
97.06494	0.8
101.02346	4.2
109.06432	0.8
109.47590	0.6
113.02321	1.9
119.03374	1.1
119.08588	0.6
125.09566	0.8
137.09677	1.2
145.04980	1.3
149.19385	0.6
152.95938	0.7
161.04457	2.5
163.11145	0.6
165.12764	2.3
171.10201	2.2
178.94859	0.7
181.12219	1.1
195.13812	2.6
197.11795	1.2
211.13326	2.1
214.01741	0.7
221.15468	1.9
223.13449	1.3
223.51132	0.7
225.00659	0.7
227.12813	1.1
235.08197	7.8
247.20636	1.2
253.09273	16.3
273.18512	2.1
277.21719	100.0
278.22086	10.1
291.19662	24.3
291.23093	0.7
292.20047	3.1
309.20712	58.4
310.20981	4.4
387.63788	0.7
513.30573	0.8
527.28723	1.4
545.29730	1.4
782.57269	0.7
865.49695	3.8
866.50519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.6
69.03333	1.3
69.53279	2.4
69.53693	4.8
71.01254	8.0
73.02817	1.9
87.00725	2.1
89.02321	5.7
98.20536	1.6
101.02319	5.4
111.08056	1.0
111.28933	1.0
113.02303	2.4
125.02345	2.3
161.04504	2.3
179.05536	2.2
185.11716	6.2
195.13866	6.6
209.11771	14.2
210.12061	7.9
211.13498	6.3
223.13318	4.4
228.13329	1.9
229.14424	2.0
233.03410	1.1
235.08243	3.5
239.73239	1.2
253.09244	20.2
255.23254	13.5
256.23627	5.1
275.20102	4.6
277.21686	9.5
291.19623	2.2
293.21231	100.0
294.21597	8.0
309.20734	6.9
311.89618	1.0
379.12381	3.4
397.13583	9.9
398.13791	4.1
399.13876	2.3
415.14624	1.5
529.30164	2.8
569.42126	2.3
886.45209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98380	0.3
63.70690	0.1
78.95770	0.3
93.03340	0.1
101.02319	0.1
109.02824	0.2
121.02859	0.1
125.02359	0.4
128.39627	0.1
137.02383	0.2
151.03981	0.2
211.13300	0.2
238.96138	0.1
289.07120	0.2
295.20807	0.1
458.12213	0.1
540.08521	0.1
833.99493	0.1
846.44806	0.1
866.51202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98413	0.2
65.94238	0.1
71.01276	0.1
71.51996	0.1
101.02312	0.2
138.33707	0.1
171.10240	0.5
193.69072	0.2
254.82310	0.1
255.23376	0.5
277.21921	0.2
285.80945	0.1
397.13663	0.2
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
61.98705	100.0
69.87608	1.3
80.96417	0.5
87.50082	0.3
90.79163	0.2
94.64904	0.2
98.20561	0.4
99.74837	0.2
101.92886	0.2
153.00476	0.3
154.86636	0.3
277.21783	0.4
293.21414	0.7
575.62024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98423	0.2
70.85394	0.3
79.95617	0.2
80.96391	0.8
109.25381	0.1
111.80915	0.2
148.08517	0.1
225.00795	0.2
262.41541	0.1
277.21725	0.4
278.22220	0.3
279.22305	0.2
340.24619	0.2
370.87769	0.2
572.44214	0.2
866.50763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05588	1.7
61.98703	53.6
69.73843	7.8
71.01253	14.3
73.02810	2.7
83.01280	2.3
85.02859	3.1
87.00783	2.7
89.02315	14.5
92.38514	1.6
97.02777	2.1
101.02334	14.2
109.02159	1.5
113.02332	10.1
118.99360	1.7
119.03364	2.5
125.02388	8.3
126.59063	1.6
131.03453	1.9
143.03381	3.1
144.65375	1.9
161.04433	5.0
162.16180	1.6
171.10194	100.0
172.10458	3.5
179.05542	3.5
221.06729	1.9
235.08264	3.6
253.09419	2.0
255.20686	3.9
255.23274	53.4
256.23532	3.8
277.21729	3.7
305.08932	2.6
364.39661	1.8
379.12527	17.9
397.13544	34.9
398.13705	2.7
415.14545	7.5
472.00021	1.9
551.23444	5.8
569.24426	4.0
571.22272	2.0
635.36566	3.2
654.37073	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	20.1
69.03310	1.0
71.01258	17.0
72.99181	1.0
73.02817	2.2
75.00767	0.9
76.15332	1.0
80.96388	1.2
81.03336	1.5
83.01251	2.3
85.02816	4.0
87.00753	4.2
89.02326	13.2
95.01273	1.6
97.02820	2.5
99.00735	1.2
101.02322	12.6
113.02333	6.8
119.03406	4.6
125.02359	7.9
127.11133	1.6
143.03435	2.7
161.04427	4.3
171.10182	100.0
172.10460	4.0
175.16296	0.9
179.05524	3.6
185.42215	0.8
217.07184	1.6
221.06659	1.0
229.96548	1.6
235.08272	4.5
253.09178	1.4
255.23268	63.1
256.23663	6.2
259.08154	1.6
277.21664	2.8
287.07678	2.2
293.21332	1.8
295.22809	2.4
305.08704	1.5
379.12482	20.0
380.12769	1.3
397.13501	43.4
398.13739	3.2
415.14551	6.4
551.23138	4.0
569.24231	2.8
635.36493	2.1
653.37677	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	868.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
71.01269	0.4
71.32597	0.2
79.95634	0.2
94.25473	0.2
96.95885	0.3
101.02352	0.2
109.02849	0.4
125.02372	0.7
135.04422	0.2
137.02397	0.3
151.03955	0.2
160.48340	0.2
165.01938	0.3
195.35287	0.2
211.13463	0.2
289.07294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98408	0.1
62.99139	0.1
72.06417	0.1
79.95607	0.2
80.96376	0.4
94.97930	0.1
98.19802	0.2
135.60864	0.1
192.87529	0.1
200.50726	0.1
277.21658	0.1
278.22076	0.1
310.21301	0.1
868.50305	0.2
869.46869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98410	0.1
70.90271	0.2
73.78453	0.1
75.27061	0.1
90.36716	0.1
96.25668	0.1
127.84631	0.1
147.20741	0.1
211.13454	0.3
277.21851	0.2
293.21283	0.1
295.22006	0.1
397.13519	0.2
431.11197	0.1
438.19778	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	869.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21399	0.9
71.01253	4.5
71.52258	1.4
80.04928	3.3
82.02850	1.6
85.02847	2.7
85.05766	1.0
89.02322	1.6
93.03333	1.1
94.02861	13.6
94.06528	2.5
100.05392	1.1
101.02325	1.4
104.04954	2.9
106.06499	3.5
107.03680	2.6
108.04463	2.5
120.04438	1.1
122.06015	26.5
125.02338	1.2
132.04424	2.2
134.06018	12.9
135.04420	2.3
135.06403	1.5
136.03943	3.7
136.07649	1.3
137.02362	1.4
138.05513	4.0
139.02733	1.5
144.28520	1.1
147.03227	1.2
148.03937	1.3
150.05487	5.0
152.07086	45.3
153.07420	1.9
158.02454	1.3
160.03963	2.2
161.02299	1.3
161.04639	1.7
162.11510	1.3
173.04494	2.5
174.05528	2.2
180.06659	1.3
190.05003	2.4
191.05527	2.3
201.10344	5.6
206.66901	1.0
213.10310	3.5
223.08754	1.2
225.10194	1.7
227.11908	3.2
229.09776	5.8
229.13429	2.0
237.10287	3.6
239.11794	5.1
241.09717	1.7
245.12938	6.6
250.07300	1.8
251.08252	1.9
253.09779	2.6
255.11417	3.5
257.12994	1.9
261.62238	1.1
262.33255	1.3
263.08258	1.8
265.09784	4.7
266.10544	1.4
267.11429	3.7
271.10938	2.4
273.12399	3.4
277.06424	1.5
277.09882	2.6
278.06943	3.3
278.10211	2.4
279.07733	3.2
279.11365	2.1
283.10928	1.8
291.11234	2.0
292.08508	1.8
293.09390	12.1
294.10028	3.0
295.10886	3.6
301.11868	12.3
305.09357	1.7
306.09872	1.6
307.10867	2.5
309.12384	2.2
313.12003	2.8
317.11557	1.4
319.12991	29.4
320.13565	2.1
323.10208	2.2
325.12027	2.3
327.13623	1.2
331.13040	1.1
337.08295	6.5
338.08899	1.2
344.14120	1.9
350.15253	1.3
355.13144	3.7
356.13953	1.7
358.11816	1.6
372.13397	1.6
374.15137	7.0
382.16299	1.2
386.15015	1.8
388.16623	1.2
392.16098	4.8
416.16022	2.8
428.16190	1.7
432.15619	1.3
434.17197	3.2
446.17075	1.4
458.17432	1.9
459.18192	2.5
460.18381	1.2
486.16754	1.1
491.16943	1.5
503.17041	3.6
503.23572	1.3
504.17831	3.1
518.19427	4.1
532.20874	4.1
539.22791	2.0
550.22064	17.8
551.22443	3.0
557.24078	4.4
581.23718	2.5
583.21527	2.5
599.25189	16.4
600.25659	2.7
602.24249	1.5
613.26526	1.2
615.24591	3.8
616.24695	1.2
625.23071	22.5
626.23187	4.6
631.27637	1.4
643.23987	42.4
644.24200	8.8
647.27570	1.5
657.25543	15.4
658.25934	3.2
663.26978	1.3
675.26697	100.0
676.27002	26.2
689.27802	2.9
707.29340	39.0
708.29858	8.5
717.28143	7.9
718.28058	2.1
805.29199	2.4
837.31372	3.5
892.49231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	3.4
63.62662	0.3
69.03325	1.5
71.01253	16.4
71.52200	0.5
72.01588	0.3
72.99186	1.3
73.02817	3.1
75.00758	0.4
79.95618	0.3
80.96401	0.3
81.03349	1.0
83.01241	2.1
83.04902	0.4
85.02824	4.0
87.00755	4.2
89.02316	14.8
95.01274	1.7
96.95895	0.4
97.02834	2.7
99.00759	1.1
101.02323	14.0
109.02818	0.6
111.00816	0.3
111.04388	0.4
113.02337	7.6
113.03077	0.6
115.03932	0.4
119.03391	3.3
125.02332	5.4
131.03378	0.6
133.04935	0.5
138.20438	0.3
139.03943	0.6
141.01820	0.5
143.03424	2.4
145.04971	0.3
149.04506	0.3
161.04465	3.1
167.03412	0.4
167.14334	0.6
169.04941	0.3
179.05536	4.1
183.13837	7.1
184.14024	0.4
193.10747	0.3
193.12267	2.0
199.05995	0.5
209.76157	0.3
211.13338	100.0
212.13686	5.1
217.07156	0.7
221.06570	1.5
225.14871	0.3
235.08167	5.3
245.06607	0.4
253.09280	1.1
253.14532	0.4
259.08218	0.4
259.20779	0.4
263.07684	0.5
269.13101	0.3
277.21713	47.6
278.22031	4.0
287.07672	1.4
291.23141	0.4
305.08743	1.7
323.09763	1.3
325.69846	0.3
327.21759	0.5
375.95111	0.3
379.12469	7.3
380.12778	0.3
397.13477	33.7
398.13962	2.6
415.14572	7.5
415.19873	0.7
416.14825	0.6
429.21130	0.4
591.26556	2.3
592.27570	0.5
609.27557	3.9
610.28345	0.5
627.49298	0.3
675.35706	0.5
869.47772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	1.5
69.03326	1.5
70.13476	0.3
70.29369	0.3
71.01255	16.2
72.99180	1.2
73.02824	2.6
75.00745	0.7
75.35375	0.3
77.38907	0.3
78.02522	0.3
79.95613	0.4
80.96409	0.6
81.03335	0.9
83.01276	1.6
83.04906	0.4
85.02826	4.2
87.00762	4.4
89.02320	14.2
90.02631	0.3
91.03857	0.4
95.01269	1.5
97.02834	2.4
97.06435	0.3
99.00751	0.9
101.02326	13.6
102.29485	0.3
109.02834	0.3
111.04391	0.4
113.02334	7.5
119.03398	4.1
124.01513	0.3
125.02349	6.5
131.03430	0.7
139.03940	0.5
141.01845	0.3
143.03419	2.1
149.04472	0.6
161.04468	3.2
167.03447	0.6
167.10643	0.5
167.14331	0.8
179.05545	3.7
183.13834	6.4
185.04533	0.4
193.12239	2.0
199.06039	0.4
211.13341	100.0
212.13681	5.4
217.07085	0.7
221.06647	1.3
235.08206	5.2
245.06665	0.6
253.09377	0.6
253.14572	0.4
259.08188	0.7
263.07718	0.4
275.19946	0.3
277.21725	46.5
278.22092	4.3
287.07718	1.7
291.23471	0.4
295.89142	0.3
305.08789	1.9
323.09793	1.1
327.21982	0.3
361.11279	0.3
379.07559	0.3
379.12445	8.7
397.13492	34.0
398.13919	2.5
400.96210	0.3
415.14590	7.7
415.19910	0.4
416.14902	0.7
591.26715	3.2
592.26624	0.4
609.27606	3.9
657.35754	0.5
675.36237	0.6
869.48120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	1.3
67.01754	0.4
69.03334	1.9
70.80722	0.9
71.01253	6.5
72.99174	0.5
73.02821	1.3
81.03328	0.7
83.01260	0.8
83.04882	1.4
84.02047	3.1
85.02808	1.6
87.00744	1.2
89.02314	4.5
91.03842	0.3
91.43256	0.3
95.01248	0.4
95.04900	0.7
96.95886	1.9
97.02839	3.1
97.05883	0.6
97.06467	7.4
99.04360	1.4
99.92455	1.1
101.02325	6.2
102.05447	0.7
109.06465	0.7
111.08038	6.8
113.02343	2.9
114.02671	0.3
116.92745	9.4
117.01775	0.4
117.92772	0.7
119.03384	1.5
119.08543	0.6
121.10130	0.4
125.02313	0.8
125.09582	1.6
127.07531	0.7
127.11205	0.5
128.03416	0.7
135.08015	0.3
137.09633	1.5
139.97273	0.3
141.09047	0.3
143.03398	0.4
146.04529	1.7
149.09628	0.4
151.11215	0.9
153.09134	0.3
153.12752	0.7
161.04463	2.3
163.11227	0.8
165.12691	1.5
169.12271	2.8
171.10190	12.5
172.10507	0.7
175.11192	0.7
177.12769	0.6
179.05511	1.5
181.12248	1.1
183.13835	1.3
185.11752	0.5
193.12280	10.9
193.15952	0.4
194.12547	0.4
195.13879	0.5
197.11761	30.7
198.12141	1.9
199.13339	1.7
209.11777	1.0
211.13345	11.5
212.13666	0.7
221.11761	1.2
223.13304	0.6
225.14912	14.5
225.17148	0.7
226.15218	0.8
227.12831	1.0
232.89223	0.3
235.08145	3.6
243.15991	6.7
244.16275	0.6
247.20674	0.8
253.09267	28.8
253.14516	1.3
254.09660	1.1
263.20139	2.2
265.18073	0.8
273.18631	1.0
277.21661	1.4
291.19650	18.5
292.20010	1.8
293.21338	2.4
305.21158	0.5
309.20706	65.3
310.21042	6.0
323.22211	1.2
341.23309	100.0
342.23679	9.4
357.22769	1.1
397.13693	0.7
433.20856	0.5
527.28571	0.5
545.29877	2.1
546.29401	0.4
574.35052	0.4
577.32306	3.1
578.32416	0.5
615.42175	0.3
633.43634	6.3
634.43811	1.1
869.53790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.9
63.04207	0.3
69.03320	2.6
71.01256	6.6
71.01624	0.6
71.04896	0.4
71.23433	0.5
72.99199	0.5
73.02837	1.0
79.47286	0.4
80.01941	0.3
80.02547	0.4
81.03333	0.6
83.01276	1.1
83.04887	1.6
83.55352	0.3
84.02055	4.2
85.02822	2.2
87.00765	1.3
88.98771	0.4
89.02314	5.7
93.03346	0.5
95.01283	0.5
95.04918	0.9
95.59721	0.3
96.95892	3.5
97.02821	4.2
97.06470	7.3
98.20588	0.3
99.00738	0.4
99.04425	1.4
101.02325	6.6
102.05525	0.6
107.04913	0.4
109.06477	0.8
109.51922	0.3
111.08044	5.5
113.02338	3.4
114.80159	0.3
116.92757	1.2
119.03395	1.7
119.04948	0.5
119.08573	0.7
121.02958	0.3
121.06561	0.4
123.04402	0.4
123.08018	0.7
125.02361	0.9
125.09620	2.3
128.03436	0.9
135.08105	0.4
137.09608	2.0
143.03421	0.6
145.05008	0.5
145.06084	0.9
146.04495	1.7
149.09586	0.4
150.05090	0.3
151.11195	0.7
153.12790	0.7
161.04478	2.8
163.11194	1.0
163.52370	0.3
165.12791	3.7
167.10757	0.4
169.12233	2.2
171.10184	18.5
172.10577	1.0
175.11162	0.9
177.12741	0.5
179.05495	0.8
179.14337	0.6
181.12268	1.1
183.13792	1.6
185.11812	0.7
191.14359	0.4
193.12279	11.3
193.15866	0.9
194.12619	0.6
195.13835	0.5
197.11774	24.2
198.12105	1.1
199.13342	1.2
207.10309	0.3
209.11794	1.4
211.13341	11.2
212.13692	0.7
221.11771	1.3
223.13380	0.9
225.14900	14.7
226.15184	0.9
227.12881	2.0
235.08221	3.6
238.12064	0.4
239.12874	0.5
243.15977	6.4
247.20638	2.5
253.09267	29.6
253.14542	1.0
254.09653	1.2
257.36429	0.4
263.20050	1.6
265.17966	0.5
273.18588	1.5
277.21677	1.8
278.21619	0.4
291.19656	24.5
292.20007	2.1
293.21243	4.2
299.48062	0.3
305.21249	0.9
307.19351	0.4
309.20712	65.5
310.21051	5.9
317.91660	0.3
323.22256	1.1
325.20071	0.4
340.03638	0.4
340.27676	0.4
341.23306	100.0
342.23688	9.4
352.71982	0.4
355.48788	0.4
357.22858	2.7
397.13358	1.2
521.34912	0.4
527.28168	0.7
545.29767	1.8
577.32416	3.6
578.32446	0.6
615.42078	0.4
633.43719	6.0
634.43994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	3.2
69.03294	1.3
71.01251	13.2
71.51466	2.2
73.02822	2.3
83.01269	2.5
85.02839	3.5
87.00748	2.5
89.02327	11.2
92.33015	1.2
97.02822	3.1
97.06462	2.1
101.02328	10.2
103.57059	1.0
113.02321	5.8
116.92765	2.8
119.03387	3.9
125.02330	4.1
134.43492	1.0
136.32132	1.0
151.11171	10.0
158.21648	1.0
161.04494	2.1
165.01656	1.1
169.12262	63.6
170.12593	1.9
179.05487	2.2
195.85605	1.0
198.72832	1.0
213.11267	8.5
221.06668	2.5
277.21710	16.7
278.22159	2.1
289.18185	1.7
293.21161	2.5
305.17532	2.7
307.19183	1.3
309.20581	1.6
372.90881	1.4
397.13568	3.0
415.14743	1.7
590.51929	1.2
593.24841	1.5
611.25354	2.3
871.47040	100.0
872.47406	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.9
68.99691	0.5
69.03333	1.1
70.72430	0.4
70.72775	0.7
71.01254	13.3
72.99191	1.5
73.02820	2.0
75.00773	0.5
77.93423	0.3
81.03335	0.8
83.01270	1.8
85.02827	3.4
85.81917	0.3
87.00751	3.9
89.02316	13.3
90.02643	0.5
93.03381	0.4
95.01275	1.1
96.54035	0.4
97.02849	2.1
99.00773	0.9
100.43993	0.3
101.02326	10.8
108.34627	0.3
113.02327	5.8
115.03946	0.4
119.03388	3.6
121.02798	0.3
124.53329	0.3
125.02336	5.4
131.03416	0.4
143.03404	2.1
149.04509	0.5
161.04504	3.1
165.01874	0.3
167.03436	0.5
179.05513	3.1
183.13837	12.2
184.14134	0.5
194.18552	0.3
194.77394	0.3
195.13847	12.1
196.14087	0.6
199.06012	0.5
211.13295	1.3
212.13661	0.4
213.14909	100.0
214.15247	5.8
217.07121	0.6
221.06616	1.7
221.08485	0.4
233.36391	0.3
235.08232	4.2
253.09196	1.1
255.16025	0.5
263.07751	0.6
267.16422	0.4
277.21719	44.0
278.22073	4.2
287.07712	1.7
288.08127	0.4
305.08688	2.0
309.69839	0.3
323.09717	0.9
379.12476	4.7
380.13049	0.4
397.13510	31.2
398.13843	2.7
409.28067	0.4
415.14581	10.8
416.14984	1.0
421.04941	0.4
473.36316	0.8
593.28046	0.9
611.28870	1.3
864.57813	0.4
871.48120	1.1
884.60004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.8
69.59194	3.1
71.01254	47.7
72.01611	1.0
72.99179	6.7
73.02815	13.2
75.00750	0.9
81.03333	2.4
83.01247	6.6
83.04899	1.0
85.02823	29.8
85.99964	2.4
87.00756	16.6
87.04381	2.3
89.02317	44.9
93.03348	1.3
95.01261	4.1
96.95905	0.7
97.02843	4.5
99.00749	3.2
99.04390	1.7
101.02326	38.4
103.03893	8.4
109.02850	2.6
111.00741	1.0
112.01574	0.6
113.02334	25.7
114.02638	0.7
115.03889	2.7
115.45550	0.6
119.03389	15.6
125.02325	5.5
126.60403	0.6
127.03906	10.4
131.03395	6.9
135.04369	0.8
137.02376	1.3
143.03392	13.3
145.04947	2.9
145.05933	0.6
149.04453	1.0
151.03929	0.7
155.03397	0.9
161.04538	2.8
163.06036	12.8
173.04448	0.7
179.05544	2.9
191.05492	1.2
205.07111	5.6
233.06627	1.8
247.08125	2.5
248.55772	0.6
289.09317	1.3
462.06836	0.7
495.29517	1.7
623.34351	2.3
641.35431	62.6
642.35754	8.6
658.71814	0.7
683.36481	0.8
692.95209	0.7
750.53900	0.7
751.39337	0.8
769.40222	18.6
770.40601	4.1
787.41187	100.0
788.41486	18.9
829.42389	13.6
830.42297	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	873.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	51.6
64.96883	12.6
70.29111	15.1
71.01257	15.9
71.19563	20.5
71.63215	11.3
88.98678	22.8
109.02829	19.3
116.92728	49.7
123.04444	12.7
125.02324	27.0
133.01421	30.7
137.02313	24.9
150.04097	36.7
160.28038	12.3
171.10202	13.9
171.11887	12.3
191.05536	22.0
205.04994	13.9
209.11649	18.6
248.16150	13.5
253.09251	39.2
289.07062	14.8
290.07050	14.4
291.19617	44.2
293.21307	24.3
309.20779	100.0
462.93253	12.3
873.47559	77.2
874.47382	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	873.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
75.81271	10.6
105.67175	11.0
151.84837	10.1
228.09767	11.5
228.11974	12.1
277.21692	38.7
324.80060	13.2
341.23294	45.0
445.12207	11.9
551.86890	12.7
649.28796	11.8
697.53052	13.5
753.23431	15.4
870.71051	13.2
873.51434	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	2.9
69.03326	1.1
71.01247	3.8
73.02822	0.9
81.03341	0.5
83.01260	1.2
83.04889	0.4
85.02822	7.7
87.00761	0.5
89.02311	2.3
93.06524	0.5
95.04865	0.4
96.95877	0.7
97.02817	1.4
97.06475	1.7
101.02322	3.6
109.02857	0.5
109.06461	0.4
113.02318	2.1
119.03403	0.9
119.33691	0.5
123.04428	1.0
125.02339	3.5
125.09576	0.6
127.11217	1.0
137.02319	0.9
137.09595	2.4
143.03317	0.4
155.10635	1.3
161.04453	1.7
165.12798	0.6
167.14345	0.7
171.10184	22.3
172.10497	0.7
179.05537	0.7
183.13869	2.5
185.11710	0.7
193.12096	0.5
197.11674	0.6
201.11241	1.0
209.11819	1.3
211.13333	11.3
221.11890	2.1
229.14447	8.8
230.14702	0.7
235.08243	1.2
239.12814	1.5
253.09256	16.9
254.09573	1.0
289.07220	1.5
291.19559	2.6
300.16110	0.5
309.20493	2.8
327.21756	100.0
328.22083	9.0
341.23468	0.5
350.85522	0.4
429.18274	0.4
563.30676	9.2
564.31329	1.3
637.42920	3.6
638.44012	0.7
675.19019	0.5
781.28888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58840	0.9
69.33850	2.5
69.34264	7.6
71.01253	13.1
72.99168	1.2
73.02805	4.7
83.01265	2.1
85.02839	6.4
87.04395	1.7
89.02329	6.0
97.63625	0.9
101.02314	12.1
112.46775	0.8
113.02345	6.9
119.03419	2.2
125.02335	5.8
132.51654	1.1
136.63385	1.0
137.02362	2.3
137.09644	6.8
147.04486	1.0
149.02295	1.8
150.03113	1.5
155.10687	82.4
156.11008	3.4
161.04468	5.6
164.04712	1.2
177.01787	2.7
179.05539	1.3
181.08614	1.8
191.05618	3.0
199.09700	100.0
200.10043	5.2
241.10776	2.4
243.03052	1.2
269.10336	6.4
271.11954	2.5
287.05490	1.0
301.12881	2.0
311.11398	13.8
361.15021	37.7
362.15482	2.4
477.19089	1.4
525.21344	1.4
555.21625	1.1
713.03235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	8.2
69.03336	1.1
69.81477	4.6
71.01252	13.3
73.02817	1.4
73.59460	0.8
75.97059	0.8
78.44699	0.8
81.03316	1.9
83.01256	1.3
83.04901	1.4
85.02823	3.1
87.00742	2.5
89.02319	6.3
95.01228	0.8
95.04913	1.3
97.02823	2.9
97.06459	3.6
101.02321	7.6
102.40669	0.8
106.60831	0.8
109.06463	1.3
113.02328	3.2
118.00790	0.9
119.03391	1.3
121.06444	1.3
123.04388	2.7
123.08025	2.0
125.09600	5.6
135.08051	2.1
137.05933	0.9
137.09598	2.8
141.12747	1.3
143.03357	1.3
149.09691	0.9
161.04459	2.8
161.09587	0.9
163.11194	7.6
165.12726	1.4
171.10188	6.8
177.12808	1.1
179.05542	1.6
179.10649	1.5
181.12251	1.9
185.11748	6.5
191.10728	1.1
191.14317	9.3
195.13847	7.4
197.11728	1.5
201.11166	1.3
206.93779	0.9
207.10190	3.9
209.11789	15.7
210.12083	1.2
211.13306	3.1
211.15306	0.9
223.13387	6.0
225.11346	5.7
226.11682	0.9
231.21138	0.9
235.08145	4.2
237.11308	5.0
245.19087	15.6
253.09253	25.7
255.23282	7.3
256.13324	1.1
256.23700	1.0
263.20154	4.2
271.16974	2.4
275.20251	6.8
289.18091	87.5
290.18494	5.6
291.19556	2.7
293.21222	100.0
294.21533	6.7
307.19150	71.8
307.21991	1.0
308.19470	5.0
309.20767	0.9
323.02875	0.9
325.91849	0.8
354.47824	0.9
370.71759	1.0
397.13550	4.8
514.21313	1.0
525.26746	3.1
543.28033	3.7
554.29773	1.1
583.39624	1.2
819.49579	2.3
861.48553	1.1
879.49066	4.5
914.36304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12477	1.5
61.98703	3.0
69.03321	1.9
70.72855	1.8
70.73210	3.2
71.01260	11.6
83.01256	2.2
85.02834	3.6
87.00761	2.0
89.02320	7.5
95.04913	1.9
97.02853	1.8
97.06487	2.1
99.00768	1.5
101.02313	9.3
104.87000	1.2
109.06504	2.0
111.08056	2.3
113.02347	5.3
118.10975	1.3
119.03370	2.1
123.04442	2.4
125.02312	1.6
125.09627	5.3
129.83620	1.3
137.09607	1.7
145.05020	1.3
161.04507	2.2
163.11218	4.9
165.12753	1.4
171.10161	10.5
181.12244	3.2
185.11787	3.7
191.14348	6.7
195.13844	7.5
197.11760	4.5
201.11353	2.7
205.12276	1.7
207.10272	6.3
209.11765	6.7
211.13364	2.6
223.13364	6.1
225.11308	9.3
235.08255	3.9
237.11349	2.6
243.12375	2.1
245.19093	10.2
253.09273	23.9
255.23303	13.0
256.12985	1.7
256.23782	1.4
263.20258	2.3
275.20129	6.7
289.18103	64.9
290.18503	3.7
291.19614	9.7
293.21228	100.0
294.21524	10.3
307.19147	46.7
308.19498	4.5
309.20688	5.7
379.12585	2.1
397.13605	5.5
446.68307	1.2
525.27301	2.7
600.95923	1.3
861.48975	4.6
879.49152	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	881.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09254	2.0
80.01350	2.0
83.01247	8.2
93.03323	9.8
95.01334	2.3
95.04890	3.0
97.02818	3.2
103.51350	2.4
104.46191	2.3
109.02148	3.5
109.02837	49.5
109.03586	2.4
109.24438	2.2
111.00765	2.3
120.52331	2.2
121.02834	8.6
123.04386	15.6
123.62178	2.5
125.02332	100.0
133.02866	7.9
135.04401	9.9
137.02328	22.4
139.03911	4.4
149.02312	9.5
151.03879	13.0
159.04379	3.0
161.02325	17.5
161.05983	4.2
163.00238	3.3
163.03877	5.8
164.01071	9.6
165.01826	9.0
167.03410	5.0
168.58505	2.1
173.02443	2.1
173.04434	14.2
173.05766	2.6
175.00317	2.2
175.03894	14.2
177.00313	3.0
177.01859	63.6
178.02229	2.4
179.03339	4.5
187.03911	8.4
188.04694	3.7
191.03432	4.3
191.05537	6.8
193.01363	14.0
199.03983	5.7
203.03255	2.9
203.07114	4.8
205.01291	2.4
205.05054	4.1
211.03943	2.4
213.05446	2.8
214.02676	2.2
215.03523	3.2
217.04932	5.4
219.02995	3.7
228.04048	3.6
229.04974	3.7
229.45171	2.8
231.02936	4.9
243.02939	16.9
245.04568	6.9
245.08092	5.7
255.03009	17.8
256.03644	4.8
257.04407	5.3
261.03973	12.9
269.04572	5.1
273.04025	4.9
281.04636	5.3
283.02399	4.2
285.04089	3.7
287.05524	8.8
289.07162	38.6
290.07516	3.3
303.05185	9.1
313.09241	3.0
339.08694	3.2
353.08704	8.6
389.06296	2.8
391.04636	3.2
405.05869	2.5
407.07712	49.6
408.07892	5.2
413.08804	2.7
423.07184	3.7
425.08896	15.9
449.09103	2.9
451.10333	5.2
467.09622	5.8
499.10284	3.5
525.08038	9.9
543.09479	13.1
561.09863	11.1
569.10718	7.6
587.11865	2.6
593.12793	7.6
603.11475	2.9
629.12494	2.6
695.14044	10.1
696.14008	4.0
711.12952	5.2
881.19104	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	8.0
63.57975	1.0
68.99671	1.2
70.26654	1.4
70.27006	2.6
71.01248	17.7
72.99182	12.4
73.02824	1.3
74.75236	0.8
75.00725	1.4
83.01253	4.1
83.04887	1.0
85.02817	2.8
87.00758	9.6
89.02305	2.5
98.20501	0.9
99.00764	8.4
101.02321	3.8
111.00757	3.9
112.98699	26.0
113.02299	1.8
113.99549	1.0
115.00264	19.2
124.98664	2.7
129.01839	1.6
142.98642	1.6
142.99768	33.9
145.01285	2.4
156.00543	2.8
161.04495	2.7
173.00824	10.0
174.01619	43.0
175.02400	27.1
183.13744	5.5
193.12262	1.6
195.13846	1.2
201.11250	1.2
205.12173	1.1
207.13853	1.3
209.11804	2.9
211.13344	100.0
212.13628	5.5
223.13377	6.5
233.11806	1.6
235.08148	3.1
235.13377	1.9
237.11223	1.2
237.14894	1.9
245.11714	1.4
249.11411	1.2
251.12839	2.3
253.09288	9.5
253.13995	0.8
255.23267	2.3
263.12866	7.2
275.20023	1.4
277.21725	77.2
278.22052	6.7
279.26065	1.0
293.21100	4.8
309.20703	3.0
397.12930	1.8
429.21301	3.0
447.22372	12.3
448.22421	1.2
513.30115	1.5
599.13300	1.0
707.43982	2.0
744.39789	1.0
745.41333	2.3
747.42395	1.3
763.42792	8.3
764.43219	2.4
777.44342	2.5
781.44281	1.4
803.42188	6.6
804.42181	1.2
821.43341	3.9
863.44720	3.4
881.46075	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	881.455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	23.5
69.03324	1.0
71.01253	20.1
71.51536	0.7
71.85548	0.7
72.99182	10.4
73.02840	1.1
75.00737	2.4
80.11340	0.8
82.62408	0.9
83.01257	4.6
83.04912	1.2
85.02818	3.0
87.00752	9.9
89.02328	5.1
96.99194	0.9
99.00758	8.4
101.02324	5.5
109.06431	0.8
111.00774	3.8
111.08041	2.3
112.98689	24.5
113.02320	3.6
115.00259	18.7
124.98689	3.1
125.02328	1.0
127.00142	0.9
129.01807	1.6
142.98637	1.6
142.99762	31.1
144.21820	0.8
145.01274	1.2
147.95551	0.8
156.00539	2.9
157.01291	1.7
161.04456	2.0
167.10657	0.8
169.12288	1.1
171.10097	1.5
173.00821	9.0
174.01619	39.3
175.02406	24.7
179.05573	1.4
183.13857	4.4
192.61626	0.8
193.12274	1.4
195.13867	1.6
197.11784	9.2
201.11279	2.6
205.12279	1.7
207.13824	1.0
209.11781	6.8
211.13339	100.0
212.13705	5.5
219.13647	0.9
221.11801	0.9
223.13356	7.6
225.14859	1.1
230.44478	0.8
233.11867	0.9
235.08217	2.9
235.13423	1.8
237.11333	1.3
237.14978	2.2
239.12782	0.7
251.12828	1.7
253.09296	14.9
253.14536	0.9
255.23160	5.9
263.12820	6.3
275.20197	1.1
277.21719	70.1
278.22079	5.1
281.13858	0.8
291.19626	4.1
293.21222	22.6
294.21707	1.9
298.90427	1.0
309.20700	16.9
397.13705	4.1
429.21121	1.8
447.22382	11.1
448.22595	1.5
486.93073	0.8
530.49707	1.0
585.41443	1.4
707.42908	1.0
735.43091	1.0
745.41669	2.7
748.43469	1.0
759.43036	1.4
763.43018	5.5
764.43311	2.1
765.44916	0.8
777.44263	2.9
781.43579	1.3
793.44366	1.3
801.45374	1.2
803.42438	5.4
804.42798	2.1
821.43274	2.8
863.44714	2.2
881.46228	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	88.2
65.43452	0.9
67.01747	0.9
71.01253	18.0
72.99188	9.5
73.02799	2.1
75.00748	3.5
83.01257	4.2
83.04903	1.1
85.02817	2.9
87.00761	9.7
89.02318	4.8
99.00762	9.3
101.02316	5.9
111.00761	3.5
111.04478	1.2
111.08035	1.6
112.98695	23.6
113.02312	2.7
113.99542	1.1
115.00259	14.8
119.03403	1.4
124.98701	3.4
125.02339	1.2
125.46596	0.8
127.00291	1.1
129.01836	1.6
137.02313	0.9
140.98196	0.9
142.99773	26.4
145.01338	2.3
156.00520	2.1
156.98996	1.4
157.01282	2.4
161.04449	1.9
163.11240	1.4
168.30582	0.9
171.10246	2.5
173.00850	8.6
174.01616	34.3
175.02405	25.4
181.12219	1.1
183.13815	2.7
193.12279	1.4
195.13750	1.2
197.11707	1.4
201.11191	4.5
207.13878	1.1
209.11803	7.7
211.13339	68.4
212.13660	4.0
217.12128	1.0
223.13370	2.9
225.11279	1.2
225.14900	0.9
235.08185	7.9
235.13326	1.2
237.14935	2.5
245.11885	1.0
251.12878	1.2
253.09268	10.3
254.09587	1.0
255.20862	1.5
255.23134	6.6
256.23596	1.8
263.12863	7.6
265.07343	1.0
277.21729	100.0
278.22076	9.3
289.18106	1.4
291.19717	1.7
293.21283	7.6
309.20731	3.5
379.12167	1.0
397.13559	4.0
406.38193	0.9
429.21109	2.3
447.22119	3.0
505.26184	0.9
513.30725	2.7
695.50507	1.1
707.43744	1.6
745.41150	1.8
759.43164	1.8
763.42932	6.2
764.41962	1.2
777.43579	1.9
781.43231	1.6
803.41913	5.8
804.42786	1.4
821.43274	3.0
822.43640	1.2
863.44110	2.4
881.49677	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	881.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	20.7
69.03294	3.1
69.18319	4.3
69.18735	1.6
71.01254	22.6
71.04887	1.2
72.99181	2.3
73.02808	3.7
73.45650	0.5
75.00714	0.6
81.03351	0.8
83.01252	2.1
85.02825	5.3
86.57136	0.5
87.00755	5.2
89.02317	17.5
89.64662	0.6
93.03358	0.8
94.83345	0.5
95.01244	2.0
97.02819	3.3
97.64049	0.6
99.00743	1.8
101.02326	15.9
111.04415	0.7
113.02340	7.7
119.03403	5.6
124.98151	0.6
125.02335	7.7
126.60654	0.6
131.03386	1.3
139.03912	0.7
141.01750	0.8
143.03429	2.8
161.04442	3.2
167.10677	3.3
179.05554	6.3
179.10721	1.2
179.14360	3.5
185.04411	0.6
195.13832	11.4
205.12276	9.7
211.13354	2.2
221.06558	2.8
223.13350	100.0
224.13678	5.7
235.08150	5.6
237.15157	0.6
245.06709	0.6
253.09343	1.3
276.26334	0.5
277.21722	60.0
278.22083	4.9
287.07666	2.0
291.19617	0.6
293.21317	2.0
295.22787	0.8
305.08786	2.0
307.19354	0.7
309.20776	1.2
323.09894	2.2
325.20309	0.8
379.12338	7.4
397.13486	47.2
398.13794	2.6
415.14572	11.2
441.20941	0.7
483.34521	0.6
603.26855	7.2
604.26709	1.1
621.27771	8.8
675.36255	1.2
881.49091	1.8
908.19000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	17.9
64.20467	0.8
68.99686	1.7
69.03339	0.8
69.99641	3.5
71.01251	25.1
72.99184	11.0
73.02821	3.1
75.00754	2.6
81.03316	1.5
83.01275	6.5
83.04910	1.9
85.02815	4.2
87.00752	11.1
89.02322	8.2
95.04924	0.8
96.99254	0.8
97.02838	2.3
98.28996	0.9
99.00761	13.2
101.02312	9.5
111.00763	4.8
111.08073	1.1
112.98698	22.9
113.02323	5.0
113.99551	0.8
115.00246	15.9
119.03395	2.2
124.98718	3.2
125.02337	2.2
125.09630	2.0
127.11235	1.5
129.01839	1.7
142.98636	1.8
142.99762	31.8
144.00089	1.1
145.01300	2.1
145.04979	1.1
152.75348	0.9
156.00587	1.7
161.04468	3.5
163.11208	2.0
171.10121	1.5
173.00830	10.5
174.01611	38.5
175.02405	24.8
175.03926	1.5
179.05565	1.9
183.13815	4.6
193.12326	1.1
195.13814	4.2
197.11781	2.1
201.11238	23.2
202.11606	2.0
205.12219	1.3
209.11765	33.1
210.12115	1.9
211.13330	65.6
212.13716	3.8
217.07146	0.9
221.15382	1.2
223.13255	5.3
224.50696	0.8
225.11218	0.9
227.12881	4.0
233.11806	1.0
235.08189	8.0
235.13261	1.2
239.12791	1.7
253.09258	17.3
253.11876	1.0
254.09752	0.9
255.23268	24.4
256.23624	2.8
263.12900	6.5
267.34424	0.9
275.20218	1.7
277.21719	100.0
278.22058	11.8
291.19617	5.5
293.21225	23.8
294.21613	2.0
305.08868	1.2
309.20715	18.0
310.20950	2.0
313.03183	0.9
313.51120	0.8
379.12375	3.2
379.22696	0.9
397.13467	19.5
398.13828	1.7
415.14694	4.3
429.21262	3.1
447.22299	3.4
513.30682	2.9
545.29773	1.1
635.35181	1.2
653.37646	2.3
745.41650	2.9
759.43457	1.2
763.42883	3.8
764.42664	2.9
777.44092	1.7
781.44159	1.6
803.41687	6.3
804.42920	1.0
821.43207	3.6
863.44757	1.8
881.45667	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	22.3
71.01247	4.9
78.95788	1.3
80.96368	1.7
83.01223	1.6
85.02823	1.6
89.02304	3.1
94.13586	1.3
97.06439	1.8
101.02332	3.2
109.06477	8.2
113.02296	2.5
119.03381	1.7
127.07559	2.2
134.88675	1.6
161.04491	2.3
169.12349	1.7
181.12199	1.3
197.11809	14.1
211.13307	10.9
229.29544	1.7
235.08212	11.5
237.14874	1.4
253.09261	14.7
277.21719	100.0
278.22107	9.9
282.48517	1.4
283.04376	1.3
289.17960	2.0
307.19156	2.6
325.20215	38.1
326.20486	3.1
336.21414	1.6
400.23929	1.5
881.49146	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	881.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	73.4
66.70493	1.8
68.35028	1.9
71.01254	9.3
71.04894	4.4
73.02828	3.5
79.95576	2.2
80.96410	2.9
83.04873	2.6
89.02303	5.8
97.02835	2.4
97.06487	4.6
98.20577	4.6
101.02328	4.9
109.06473	13.2
113.02332	5.6
115.90048	1.9
125.02371	2.9
137.69763	1.8
152.42986	1.9
160.11972	2.0
169.12227	3.5
197.11757	26.3
199.13222	2.4
211.13322	20.7
223.13341	3.3
225.00468	2.4
227.12982	2.6
229.48476	2.2
235.08224	6.0
235.13420	6.8
237.14958	4.1
253.09259	18.7
255.23497	2.6
277.21725	100.0
278.22070	8.1
289.18149	3.6
307.19238	8.8
325.20193	60.4
326.20557	6.1
546.42719	2.3
561.29053	5.7
881.48871	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	882.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	100.0
69.85925	0.1
71.01258	0.4
71.52446	0.2
85.02852	0.2
89.02312	0.3
93.03327	0.2
96.95894	0.4
101.02341	0.4
109.02849	0.4
113.02361	0.2
121.02864	0.2
123.04452	0.4
125.02357	1.7
137.02377	0.5
138.00444	0.1
149.02411	0.1
151.03961	0.6
156.10182	0.2
163.00266	0.2
164.01079	0.2
165.01782	0.2
167.03465	0.3
173.04526	0.2
177.01833	0.3
211.13406	0.2
229.05022	0.1
231.75296	0.1
289.07187	0.8
302.65768	0.2
511.42545	0.2
630.40173	0.2
789.79364	0.2
883.46887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98404	0.3
71.01268	0.4
71.51616	0.2
75.00752	0.7
77.27341	0.2
77.79766	0.2
80.96402	0.5
84.48563	0.2
101.02361	0.2
119.20159	0.2
131.36224	0.2
154.93069	0.2
171.10196	0.3
185.11804	0.2
207.10207	0.3
209.11819	0.2
211.13422	0.4
223.13348	0.3
235.08372	0.2
253.09338	0.6
274.93585	0.2
277.21741	2.4
278.22003	1.2
293.21243	0.3
294.21542	0.4
295.22568	0.3
307.19205	0.4
308.19568	0.2
308.71024	0.2
325.20142	1.6
326.20670	0.7
397.13702	0.3
467.12747	0.2
611.17072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
62.98400	0.1
71.01269	0.2
72.98777	0.1
75.27696	0.1
80.96352	0.1
85.02866	0.1
89.02341	0.1
97.02799	0.1
97.06417	0.1
98.19716	0.1
101.02321	0.1
112.34760	0.1
112.90299	0.1
113.02348	0.1
113.58353	0.1
161.04466	0.1
165.12712	0.1
171.10229	0.3
207.10284	0.2
211.13402	0.3
229.14502	0.1
235.08202	0.3
253.09319	0.6
277.21750	1.6
290.18204	0.1
291.19373	0.2
293.21356	0.3
294.21536	0.4
295.21991	0.2
307.19223	0.1
308.19540	0.1
309.20554	0.3
327.21735	1.4
356.57364	0.1
545.30231	0.2
563.30664	0.2
719.07947	0.1
817.36469	0.1
837.57434	0.1
883.46191	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.51751	0.2
71.01272	0.2
91.60723	0.2
98.20718	0.3
111.50840	0.2
116.92818	0.2
142.99754	0.2
161.94958	0.2
164.98633	0.2
169.41776	0.2
174.01727	0.2
209.11752	0.3
211.13373	0.5
229.45915	0.2
277.21658	1.3
278.22110	0.8
279.23413	0.3
290.18521	0.2
293.21362	0.7
294.21521	0.4
295.21872	0.3
681.69330	0.2
883.46411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
63.91349	0.1
66.97073	0.1
69.33904	1.1
71.01250	1.1
72.99185	0.6
73.02823	0.2
75.00734	0.2
83.01270	0.2
87.00768	0.6
89.02346	0.4
99.00755	0.4
101.02316	0.2
105.39648	0.1
109.06477	0.2
111.00757	0.1
112.98672	1.1
113.02353	0.2
115.00257	1.2
122.28397	0.1
128.46646	0.2
129.01804	0.1
141.01581	0.1
142.99783	1.2
144.00040	0.2
156.00610	0.2
173.00871	0.3
174.01622	1.6
175.02422	1.7
176.02734	0.1
183.13876	0.2
205.12234	0.1
207.10265	0.7
211.10333	0.2
211.13345	3.7
212.13708	1.0
223.13428	0.3
225.11337	0.4
235.08131	0.2
241.14420	0.2
253.09279	0.4
263.13086	0.2
264.13318	0.1
277.21704	2.7
278.22116	1.2
291.19656	0.2
323.22470	0.1
341.23526	0.2
447.22305	0.2
746.42181	0.2
764.43231	0.3
804.42694	0.3
882.46338	0.2
883.46863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80407	0.1
61.98705	100.0
62.98401	0.2
67.00694	0.1
71.00787	0.1
71.01252	0.4
72.99194	0.1
74.20300	0.1
99.00796	0.1
101.02320	0.1
109.06480	0.2
112.98708	0.2
115.00249	0.1
119.03381	0.1
142.99789	0.2
163.11247	0.1
173.00842	0.1
174.01692	0.2
175.02367	0.2
207.10291	0.5
211.13400	0.6
212.13857	0.2
225.11404	0.2
235.08369	0.1
242.52007	0.1
243.10725	0.1
253.09291	0.1
277.21811	0.7
278.22159	0.3
323.22430	0.1
397.13641	0.3
402.76566	0.1
465.25232	0.1
527.38538	0.1
883.47253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	9.3
66.35808	0.6
69.03323	2.3
69.18841	2.4
69.19260	4.5
71.01255	49.2
72.01574	0.9
72.99184	7.8
73.02819	13.2
81.03333	1.1
83.01257	7.2
83.04903	0.6
85.02824	27.0
86.00016	1.2
86.03159	0.6
87.00746	9.4
87.04378	2.6
89.02316	36.8
90.02668	0.8
93.03336	0.6
95.01264	4.7
96.95902	1.6
97.02846	5.2
99.00755	2.8
99.04400	1.1
101.02323	35.8
103.03880	7.7
109.02825	3.1
111.00742	0.8
113.02332	20.3
115.03887	1.9
119.03392	13.3
123.04385	1.4
125.02344	12.8
126.02694	0.9
127.03901	2.1
131.03415	6.6
137.02341	3.1
143.03410	10.1
145.04971	2.4
151.03902	1.6
161.02286	1.0
161.04451	3.0
163.06039	12.4
163.07397	0.9
164.01035	1.0
165.01891	0.8
167.03400	1.3
175.03810	0.7
176.01010	1.0
177.01813	1.3
179.03679	0.6
179.05533	3.6
187.87941	0.6
203.06985	0.7
205.05235	1.1
205.07088	5.9
245.08221	0.9
247.08313	3.2
255.02989	0.7
271.06384	0.7
277.28595	0.6
289.06772	3.8
289.09860	1.1
308.37915	0.8
365.98553	0.7
525.32104	1.8
555.33575	0.7
591.35272	1.7
619.38391	1.0
655.37079	0.7
737.41223	55.5
738.41492	10.4
856.60175	0.7
883.46960	100.0
884.47241	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.51932	0.3
62.98409	0.6
63.99118	0.5
69.25187	3.0
71.01247	1.6
72.64754	0.3
80.96392	0.4
83.01312	0.4
85.02816	2.1
87.00752	0.4
89.02329	1.2
95.95444	0.3
97.02833	0.4
101.02335	1.2
103.65161	0.3
110.07664	0.4
113.02274	0.5
119.89614	0.3
126.90273	0.6
127.11232	0.4
137.09633	0.6
161.04533	0.5
171.10190	6.4
179.05629	0.4
201.11301	0.4
207.10301	0.8
209.11772	0.5
211.13356	2.3
229.14490	1.7
235.08284	1.8
239.13055	0.4
253.09290	5.7
254.09485	0.4
259.45895	0.4
277.17224	0.5
277.21722	12.7
278.22110	1.0
291.19659	1.1
309.20731	4.2
310.21054	0.5
311.22089	0.4
327.21759	14.5
328.21805	1.7
545.29547	1.6
563.30371	2.1
587.43524	0.6
621.89282	0.4
878.79254	0.4
883.47467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98406	0.1
62.99141	0.1
69.70782	0.1
70.83543	0.1
80.96390	0.2
84.31660	0.1
112.49936	0.1
197.13622	0.1
204.60451	0.1
207.10390	0.1
209.11934	0.1
227.12845	0.1
265.56259	0.1
277.21838	0.1
397.13809	0.1
464.28510	0.1
560.98895	0.1
884.46686	0.1
885.47906	0.2
907.71448	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	884.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98411	0.2
70.86148	0.2
71.01265	0.6
79.95587	0.1
80.96394	0.3
83.01289	0.1
87.00777	0.3
89.02341	0.3
96.55127	0.1
97.02879	0.1
99.00753	0.1
101.02343	0.3
101.81928	0.1
104.70821	0.1
109.06511	0.2
112.98726	0.1
113.02342	0.2
125.02345	0.2
143.03429	0.1
175.02448	0.1
179.05600	0.1
199.13434	0.3
204.72902	0.1
207.10202	0.6
208.10533	0.2
209.11761	0.7
225.00676	0.1
225.11348	0.3
227.12857	0.6
235.08112	0.1
277.21738	1.1
278.22067	0.2
327.57483	0.1
379.12350	0.1
397.13614	0.9
398.14056	0.1
415.14914	0.3
443.72208	0.1
607.25726	0.1
625.27167	0.1
670.65649	0.1
884.46680	0.7
885.47198	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	100.0
62.98402	0.2
62.99123	0.1
69.24913	0.2
69.25236	0.7
71.01250	0.1
79.33491	0.1
80.96333	0.1
83.01320	0.1
98.20502	0.1
115.00321	0.1
175.02446	0.1
189.26164	0.1
211.13397	0.1
233.25266	0.1
277.21844	0.3
344.24457	0.1
580.46661	0.1
885.47491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	5.1
63.96100	0.4
68.99663	0.4
69.03320	0.8
71.01254	14.7
72.99177	1.8
73.02820	2.5
75.00749	0.5
79.95610	1.2
80.02565	1.2
81.03328	2.0
83.01256	1.8
83.04900	5.4
84.02039	0.9
85.02821	3.1
87.00748	3.6
89.02319	12.7
95.01259	1.1
95.04892	0.9
96.95894	0.2
97.02834	2.3
99.00744	1.2
99.04389	0.3
101.02323	10.3
109.06500	0.4
111.00777	0.3
111.04430	0.4
113.02331	6.4
115.03933	0.3
119.03396	3.5
124.35539	0.2
125.02328	5.5
125.05956	0.6
125.09570	0.3
131.03371	0.5
133.04958	0.3
135.08044	0.8
137.02365	0.4
139.03891	0.5
141.01768	0.3
143.03418	2.0
147.11703	0.2
149.04443	0.5
161.04449	2.9
163.11180	4.2
164.11494	0.3
165.12785	2.2
167.03415	0.3
179.05524	3.4
181.12300	0.6
183.13809	0.3
191.10710	0.9
199.06183	0.4
199.13380	1.2
209.11772	100.0
210.12106	6.6
211.13364	1.2
217.07092	0.6
221.06584	1.7
223.13225	0.5
225.11336	0.3
227.12848	14.5
228.13220	0.5
235.08217	4.8
245.06735	0.3
251.12871	0.7
253.09274	0.8
259.08215	0.5
263.07654	0.7
275.20108	0.4
277.21725	42.8
278.22070	4.4
287.07761	1.6
293.21307	1.6
305.08823	2.0
323.09854	0.9
323.89157	0.2
379.12460	5.9
397.13501	31.8
398.13818	2.5
415.14597	8.0
416.15021	0.7
589.25049	0.5
607.26007	1.2
608.26440	0.3
625.27148	0.6
885.47638	2.0
886.47809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	1.1
69.03323	0.9
70.03345	0.6
71.01256	15.2
72.99183	1.0
73.02826	2.5
74.34621	0.2
75.00749	0.4
79.17571	0.2
80.02546	0.9
81.03334	1.9
83.01269	1.8
83.04898	5.7
83.06038	0.2
83.71822	0.2
84.02040	0.9
85.02838	3.6
87.00760	4.0
89.02323	12.2
91.03871	0.3
93.03311	0.3
95.01263	1.2
95.04899	0.6
97.02821	2.3
97.06454	0.2
99.00749	0.8
99.04394	0.3
101.02329	12.1
109.02850	0.3
109.06501	0.3
110.36046	0.2
111.00779	0.3
111.04412	0.4
113.02338	6.1
115.03899	0.3
119.03379	3.6
121.02863	0.4
124.01602	0.3
125.02344	5.5
125.05993	0.5
125.09610	0.3
127.03909	0.4
131.03406	0.9
133.04924	0.5
135.08047	0.8
137.02307	0.2
139.03880	0.4
141.01846	0.5
143.03401	2.5
143.34944	0.2
161.04488	2.9
163.11201	3.6
165.12790	2.4
166.13177	0.3
167.03416	0.3
179.05553	3.6
181.12291	0.6
184.34500	0.3
185.04477	0.3
191.10721	0.8
199.06113	0.6
199.13327	0.6
209.11780	100.0
210.12120	4.9
211.13376	0.3
217.07066	0.5
221.06703	1.5
227.12845	12.1
227.40363	0.3
228.13162	0.8
235.08203	5.6
251.12801	0.5
253.09274	0.8
259.08325	0.4
263.07657	0.3
263.33545	0.3
277.21732	45.1
278.22095	3.6
278.25079	0.4
287.07739	1.8
291.23322	0.4
293.21216	0.5
305.08746	1.7
323.09879	0.8
379.12485	6.2
397.13513	33.6
398.13907	2.3
415.14636	8.8
416.14883	0.5
556.22943	0.2
589.25055	0.8
607.25983	1.1
625.27094	0.3
675.36371	0.8
705.53076	0.2
835.02557	0.2
885.47748	0.6
916.13342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	9.3
63.99125	0.6
68.99691	0.4
69.03325	1.2
70.64013	1.0
71.01256	19.0
72.99179	1.8
73.02821	2.5
75.00754	0.4
80.02553	1.6
80.96407	0.6
81.03337	1.7
81.14474	0.3
83.01266	2.4
83.04902	4.9
84.02039	0.7
85.02829	4.0
87.00751	4.7
89.01761	0.7
89.02319	13.9
90.02683	0.3
92.06908	0.3
93.03344	0.3
95.01261	1.6
95.04904	0.7
97.02840	2.8
97.06498	0.3
99.00769	1.2
99.04408	0.4
101.02326	12.1
109.02809	0.3
109.06499	0.5
111.04423	0.9
113.02334	7.1
119.03375	3.1
124.01572	0.4
125.02341	5.5
125.05963	0.7
131.03383	0.4
133.04974	0.4
133.07324	0.3
135.08052	0.7
139.03886	0.6
141.01871	0.4
143.03416	3.0
149.04517	0.7
161.04480	3.1
163.11212	4.2
165.12779	2.8
167.03366	0.4
179.05531	3.6
181.12299	0.8
185.04404	0.4
191.10670	1.4
199.05983	0.6
199.13409	0.5
209.11774	100.0
210.12131	5.9
217.07225	0.5
221.06689	1.5
227.12846	13.5
228.13280	0.6
235.08168	5.0
236.08514	0.3
251.12862	0.6
253.09227	0.9
254.39632	0.3
259.20117	0.3
263.07867	0.5
276.93851	0.3
277.21725	49.7
278.22119	4.1
287.07684	1.4
291.23267	0.4
298.57004	0.3
305.08759	2.0
323.09744	1.1
379.12463	6.2
380.12811	0.6
397.13495	38.2
398.13770	2.4
415.14569	9.0
416.15201	0.6
476.80884	0.4
501.48141	0.3
553.34863	0.4
607.26532	0.5
607.40894	0.4
675.36090	0.9
885.47278	1.4
886.47070	0.5
891.68970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
62.98404	0.1
62.99138	0.1
63.99125	0.1
70.64192	0.3
71.01260	0.2
79.95618	0.2
80.61008	0.1
80.96385	0.5
85.02824	0.1
94.97997	0.1
98.25185	0.1
123.00800	0.1
131.03351	0.1
138.46735	0.1
159.38979	0.1
163.77284	0.1
164.98541	0.1
172.52853	0.1
175.60347	0.1
199.13351	0.1
203.22412	0.1
209.11818	0.1
225.00787	0.1
227.12903	0.1
235.08208	0.1
247.36929	0.1
277.21704	0.2
278.22058	0.1
346.63519	0.1
348.76804	0.1
397.13638	0.1
454.81238	0.1
548.13507	0.1
886.47858	0.1
887.48944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	2.4
69.03330	1.2
71.01257	16.2
71.09190	1.2
72.99189	1.3
73.02820	3.4
81.03343	0.9
83.01245	2.0
85.02809	4.3
87.00749	5.1
89.02319	13.6
95.01270	2.0
97.02825	2.3
99.00776	0.9
101.02332	12.5
111.04439	0.9
113.02337	6.7
116.22520	0.5
119.03406	4.0
119.31101	0.7
125.02334	7.8
125.09613	1.1
127.11169	2.2
131.03380	0.7
136.78557	0.5
143.03409	2.7
149.04459	0.7
161.04504	3.9
167.03372	0.9
171.10182	100.0
172.10535	4.0
179.05545	4.2
209.11795	1.4
217.07152	1.3
221.06651	1.9
235.08228	5.0
247.56111	0.5
259.08221	0.9
277.21719	75.1
278.22113	6.8
281.24918	0.6
287.07770	2.0
295.16476	0.6
305.08725	2.8
323.09595	1.0
379.12433	16.2
380.12595	1.3
397.13525	45.0
398.13763	3.6
415.14587	8.1
549.84259	0.6
551.23486	3.4
569.24445	2.2
626.75958	0.7
657.34796	1.3
675.35992	3.1
815.52454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98389	8.3
71.01246	18.5
71.51482	9.4
71.51881	8.4
73.02827	7.5
89.02305	16.6
101.02319	17.9
105.45707	6.0
113.02323	11.1
124.59919	6.3
125.02329	15.5
161.04453	8.0
171.10190	100.0
172.10565	43.0
173.10706	14.7
191.28009	6.2
201.43642	5.7
232.20325	7.5
235.08159	7.0
277.21762	34.8
278.22122	44.6
279.22388	12.9
293.21262	7.5
367.23657	6.6
382.12967	6.9
397.13458	16.9
398.13641	11.0
399.13913	19.9
416.14902	8.4
799.04602	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	892.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98400	17.2
71.01254	27.3
76.76951	10.5
87.00745	14.1
89.02340	15.1
101.02291	18.5
111.89883	9.3
113.02300	18.7
171.10188	100.0
172.10497	31.6
173.10814	11.2
225.90649	11.2
229.34732	14.9
233.73918	11.0
277.21750	36.3
278.22113	49.4
322.76642	12.0
379.12314	11.2
398.13742	18.6
399.13864	17.8
463.83127	10.6
505.31024	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	893.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79878	1.0
71.01253	7.2
71.55901	1.1
73.02795	1.5
80.02550	1.6
81.03341	2.1
83.01277	2.8
83.04900	2.2
85.02832	2.4
87.00742	1.8
87.79807	1.0
89.02325	2.9
95.04921	1.7
97.02840	3.3
97.06479	4.7
101.02326	4.8
113.02325	2.0
123.04405	3.5
123.08109	1.2
125.02316	3.0
125.09618	8.3
135.08069	1.8
137.09636	2.9
141.12785	1.2
161.04506	2.0
162.10487	1.0
163.11195	6.5
165.12790	1.6
169.01315	3.3
179.10703	1.2
181.12244	1.4
185.11769	8.8
191.10658	1.2
191.14394	7.8
197.11620	1.7
207.10211	3.0
209.11771	23.3
210.12112	2.3
211.13278	1.9
217.15944	1.4
219.49911	1.2
225.11230	3.4
235.08147	2.5
237.11244	3.9
245.19102	18.1
246.19505	1.6
253.09256	13.8
255.23285	1.3
263.20071	5.6
271.17059	2.4
287.16599	1.0
289.18094	100.0
290.18390	9.5
307.19156	84.0
308.19415	6.4
309.20612	1.9
313.18082	1.2
331.19025	2.0
467.72083	1.1
525.27258	1.9
543.28278	3.1
597.37451	1.3
639.88568	1.2
736.39917	1.2
781.98718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52837	1.0
73.02814	2.1
85.02793	1.0
135.04395	1.2
135.08025	0.7
136.35478	0.7
137.09628	7.6
137.35193	0.7
155.10681	100.0
156.11014	4.2
159.31703	0.7
185.36505	0.8
199.09692	60.8
200.10036	3.4
223.83836	0.8
243.02943	2.1
255.02957	4.6
256.03418	1.0
271.02466	10.8
299.02295	1.5
300.02728	31.9
301.03061	2.9
315.05109	36.3
316.05261	4.0
331.13965	70.9
332.14371	5.4
519.11713	2.0
566.77942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	9.5
73.02815	3.1
83.01244	2.2
83.04903	2.5
85.02820	4.5
87.00726	2.3
89.02324	5.7
97.06482	3.6
98.20656	4.7
101.02318	7.5
111.08040	12.5
113.02328	6.7
119.08502	2.2
123.04419	3.9
125.09593	6.3
137.09636	4.1
161.04456	4.2
163.11211	6.6
165.12769	3.5
169.12265	6.4
171.10146	3.5
179.10640	2.5
183.13855	2.2
185.11795	8.1
191.14319	8.1
197.11757	61.5
198.12090	3.5
199.13371	3.5
209.11794	22.6
211.13335	13.9
225.11267	4.2
229.59735	2.3
235.08195	5.5
237.11276	4.1
245.19136	14.6
249.78806	2.2
252.51643	2.2
253.09261	31.1
254.09837	2.6
263.20215	7.2
271.17163	3.4
277.21609	3.4
289.18085	93.4
290.18478	10.8
291.19641	37.8
295.79672	2.0
307.19147	85.4
308.19452	7.1
309.20691	100.0
310.21094	6.4
404.07840	2.1
488.69635	2.5
545.29382	4.3
690.36603	2.1
835.48694	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	897.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03299	3.4
69.53326	1.2
71.01256	16.5
71.04887	0.6
72.01631	0.3
72.99168	1.4
73.02819	2.0
75.00753	0.4
75.85991	0.2
81.03328	0.8
83.01267	1.6
83.04905	0.8
85.02826	3.6
85.06471	0.3
87.00756	3.3
89.02316	12.6
90.02672	0.3
93.03323	0.6
95.01256	1.0
95.04912	0.4
97.02827	2.0
99.00758	0.9
101.02323	11.7
102.02640	0.4
103.60514	0.3
107.04867	0.3
109.02838	0.3
109.06460	0.5
111.00755	0.4
111.08041	0.4
113.02332	5.7
114.02631	0.3
119.03395	2.5
121.02859	0.3
123.04372	0.3
125.02345	4.6
125.09630	0.5
129.01970	0.2
131.03374	0.4
133.04938	0.3
137.02328	0.3
139.03914	0.3
141.01781	0.3
141.09155	0.3
143.03412	2.0
149.04520	0.5
149.09634	0.6
161.04463	2.4
161.13232	0.5
167.03415	0.4
167.10738	2.7
168.11029	0.3
171.10156	0.4
177.12762	0.7
179.05531	4.4
179.10695	1.0
179.14337	3.1
195.13840	14.4
196.14336	1.0
205.12270	7.2
205.15866	0.3
206.12613	0.7
208.40329	0.3
211.13362	1.0
221.06636	2.1
223.13347	69.3
224.13708	3.4
225.14821	0.5
228.13725	0.6
235.08199	4.5
239.12895	0.4
253.09221	1.0
256.13150	1.0
275.20123	4.2
276.20456	0.4
287.07675	1.0
291.19724	0.4
293.21222	100.0
294.21567	7.7
305.08728	1.4
309.20886	0.5
317.21259	0.5
323.09802	1.3
379.12430	3.0
383.67160	0.3
397.13495	31.4
398.13898	1.9
415.14566	12.2
416.14966	0.9
499.34320	0.9
603.26501	3.7
614.79681	0.3
621.27698	8.2
622.28046	1.2
673.34137	1.1
691.35413	2.0
897.48370	1.0
898.48065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.7
70.09065	1.6
70.09480	3.0
71.01257	7.0
75.00748	1.3
83.01247	1.0
84.02026	3.7
85.02818	2.4
87.00739	1.2
88.98677	2.1
89.02324	4.4
93.40234	0.9
97.02869	1.4
97.06451	6.1
99.04378	1.0
101.02298	4.0
108.01546	0.8
113.02322	2.8
119.03369	1.2
119.99319	0.8
125.02239	1.3
133.58429	0.8
161.04434	2.0
171.10179	14.8
173.04443	1.7
174.52068	0.8
179.05588	1.1
183.13768	0.8
193.12299	9.2
211.13283	3.5
225.14897	15.7
225.47330	0.8
235.08167	8.2
239.16469	2.1
243.15909	6.5
253.09256	20.3
253.14531	1.3
277.21710	97.4
278.22058	7.9
291.19800	1.7
305.21170	1.5
323.22189	4.0
341.23297	100.0
342.23596	7.4
559.30969	1.7
577.32379	5.2
578.33118	1.0
601.44739	5.7
668.00488	1.3
686.09802	1.0
819.05780	1.0
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
62.98402	8.4
66.67760	4.4
71.01258	37.1
72.99189	7.5
75.00749	100.0
89.02319	7.7
93.75270	4.8
99.00700	4.9
101.02373	9.0
111.89774	4.3
112.98602	7.2
158.24495	4.4
171.10191	14.5
179.05580	5.2
199.09563	4.4
201.11284	7.9
207.10233	12.9
209.11890	5.5
211.13368	18.1
235.08171	5.9
241.14430	7.1
253.09337	7.5
255.23399	10.7
256.23660	5.8
267.09299	5.4
277.21768	30.0
293.21222	8.3
309.20743	7.0
310.20953	7.5
333.99887	4.5
397.13644	8.0
415.14706	5.5
583.43945	5.4
862.49072	6.3
899.45306	11.6
904.14746	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	899.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	3.9
69.03321	0.9
71.01264	2.8
71.51656	0.6
80.49700	0.3
81.03337	1.1
83.01291	0.3
83.04903	0.7
85.02827	2.5
87.00745	0.8
89.80530	0.3
90.53231	0.3
90.57283	0.3
93.03338	22.1
94.03685	0.6
97.02818	0.5
109.02844	2.0
111.00774	0.8
111.04406	4.4
113.02358	0.3
119.04918	14.7
120.05266	0.5
123.04413	1.2
125.02336	4.3
127.03903	1.0
135.04475	0.4
137.01413	0.4
137.02359	5.2
145.02846	0.7
151.03893	0.9
154.02022	0.3
155.03401	3.5
161.02397	0.4
161.05968	0.5
163.03923	13.8
164.01051	1.6
164.04231	0.4
165.01843	0.9
167.03433	0.3
173.04474	100.0
174.04810	3.6
175.03970	0.5
177.01875	0.8
179.03482	0.6
187.03828	0.4
188.04739	0.3
191.05548	16.2
192.05861	0.6
203.07101	1.2
205.01424	0.6
205.04982	0.7
231.06882	0.3
245.08163	1.2
262.49561	0.3
266.89429	0.4
271.06052	1.5
273.07690	1.0
289.07175	9.8
290.07523	0.8
312.06091	0.3
329.06644	0.4
337.09274	34.5
338.09561	3.0
407.07764	1.7
425.08997	0.9
435.11102	2.1
462.98935	0.3
531.73138	0.3
543.13007	0.7
561.13861	2.7
562.14081	0.7
651.41156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	0.4
68.99691	0.3
69.03323	3.0
71.01252	63.9
71.04897	0.2
72.01592	1.0
72.99178	8.2
73.02819	16.5
74.03168	0.2
75.00748	0.7
81.03327	1.2
83.01257	8.7
83.04917	0.4
84.01608	0.2
84.02048	0.5
85.02822	31.4
85.06476	0.2
85.99962	1.9
86.03169	0.7
87.00750	11.8
87.04388	4.7
89.02315	39.6
90.02664	0.8
93.03306	0.2
95.01263	4.7
97.02830	5.3
99.00757	3.1
99.04384	1.5
101.02321	50.3
102.02676	0.7
103.03890	8.3
105.66489	0.2
108.02115	0.2
109.02840	0.8
111.00746	0.6
111.25822	0.2
111.52911	0.2
112.01570	0.5
113.02329	24.2
114.02579	0.3
115.03893	4.2
119.03389	14.6
120.03733	0.3
123.00785	0.2
125.02328	5.3
125.03243	0.3
127.03914	1.9
131.03395	7.1
131.07051	0.3
133.35448	0.2
137.02327	0.5
141.01837	0.3
142.02611	0.2
143.03401	14.9
144.03754	0.4
145.04974	3.5
149.04449	0.6
155.03403	0.2
158.98633	0.2
161.04451	2.7
163.06029	14.0
164.06384	0.3
175.02414	0.2
179.05525	4.3
191.05591	0.2
205.07112	7.9
205.09048	0.4
206.07361	0.4
229.63922	0.2
247.08199	4.6
289.09369	2.9
307.10373	0.4
325.11508	0.2
541.31702	1.7
571.32434	0.2
607.35016	1.4
735.39923	0.7
753.40601	59.7
754.40948	12.8
767.38287	0.3
899.46436	100.0
900.46729	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	899.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01751	0.4
68.99691	0.3
69.03323	3.0
71.01252	63.9
71.04897	0.2
72.01592	1.0
72.99178	8.2
73.02819	16.5
74.03168	0.2
75.00748	0.7
81.03327	1.2
83.01257	8.7
83.04917	0.4
84.01608	0.2
84.02048	0.5
85.02822	31.4
85.06476	0.2
85.99962	1.9
86.03169	0.7
87.00750	11.8
87.04388	4.7
89.02315	39.6
90.02664	0.8
93.03306	0.2
95.01263	4.7
97.02830	5.3
99.00757	3.1
99.04384	1.5
101.02321	50.3
102.02676	0.7
103.03890	8.3
105.66489	0.2
108.02115	0.2
109.02840	0.8
111.00746	0.6
111.25822	0.2
111.52911	0.2
112.01570	0.5
113.02329	24.2
114.02579	0.3
115.03893	4.2
119.03389	14.6
120.03733	0.3
123.00785	0.2
125.02328	5.3
125.03243	0.3
127.03914	1.9
131.03395	7.1
131.07051	0.3
133.35448	0.2
137.02327	0.5
141.01837	0.3
142.02611	0.2
143.03401	14.9
144.03754	0.4
145.04974	3.5
149.04449	0.6
155.03403	0.2
158.98633	0.2
161.04451	2.7
163.06029	14.0
164.06384	0.3
175.02414	0.2
179.05525	4.3
191.05591	0.2
205.07112	7.9
205.09048	0.4
206.07361	0.4
229.63922	0.2
247.08199	4.6
289.09369	2.9
307.10373	0.4
325.11508	0.2
541.31702	1.7
571.32434	0.2
607.35016	1.4
735.39923	0.7
753.40601	59.7
754.40948	12.8
767.38287	0.3
899.46436	100.0
900.46729	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	899.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.3
69.03324	3.0
71.01255	45.7
71.04887	3.6
71.52169	0.2
71.52637	0.3
72.01591	0.9
72.99181	6.0
73.02818	14.1
73.06447	0.5
74.03156	0.3
75.00738	1.0
81.03331	1.2
83.01254	6.9
83.04894	11.9
84.02059	0.4
84.05204	0.4
85.02824	26.0
85.99982	1.6
86.03187	0.4
87.00751	9.8
87.04391	10.5
89.02317	30.6
90.02673	0.3
95.01268	4.3
95.04910	2.5
97.02834	4.9
99.00755	2.7
99.04395	5.3
99.08031	0.8
101.02323	42.2
101.05969	1.6
102.02644	0.7
103.03895	7.5
104.84463	0.2
109.02831	1.0
111.00762	0.6
112.01540	0.4
113.02335	18.5
113.05959	1.1
114.02690	0.4
115.03882	3.2
119.03385	11.2
125.02338	4.5
127.03896	1.2
127.07548	8.8
129.05469	0.5
129.09108	1.6
131.02469	0.5
131.03397	7.2
131.07036	21.8
132.07332	0.6
133.34178	0.3
137.02312	0.4
143.03403	11.8
145.04974	3.0
149.04428	0.8
157.08611	9.0
159.02838	0.3
161.04475	1.9
163.06039	12.4
164.06372	0.4
179.05524	2.0
191.05484	0.3
205.07106	8.6
235.01587	0.3
247.08151	3.7
289.09372	1.8
383.22040	0.5
390.50839	0.3
409.24045	0.4
449.25897	0.5
453.04605	0.3
475.26913	0.6
595.31238	14.7
596.31494	2.2
607.34814	2.3
608.34247	0.5
621.32739	7.7
622.33081	1.4
711.83002	0.4
735.39581	2.2
736.40369	0.5
741.17291	0.4
741.37048	15.4
742.37341	3.7
753.40625	35.3
754.40955	8.2
767.38715	6.2
768.39044	1.2
899.46466	100.0
900.46771	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	0.4
69.03333	2.4
71.01255	53.9
71.04885	0.3
71.52223	0.2
71.52573	0.5
71.52926	0.2
72.01592	0.7
72.99183	7.9
73.02823	12.5
75.00742	1.0
81.03325	1.3
83.01260	7.0
83.04901	1.1
84.02009	0.3
84.39336	0.2
85.02825	27.7
85.99975	1.6
86.03159	0.5
87.00753	9.4
87.04392	3.1
89.02321	34.5
90.02660	0.3
93.03340	0.4
95.01259	3.9
97.02830	5.0
99.00765	3.0
99.04417	0.9
101.02327	40.2
102.02673	0.8
103.03893	7.1
108.02082	0.3
109.02841	1.0
111.00782	0.6
112.01545	0.7
113.02332	21.1
114.02644	0.4
115.03912	3.4
119.03394	12.3
125.02348	5.5
127.03916	1.9
131.03400	7.0
135.04442	0.3
137.02339	0.7
143.03407	12.0
144.03787	0.3
145.04977	2.7
147.85133	0.3
149.04477	0.6
155.03355	0.3
155.08183	0.5
161.04466	2.5
163.06042	12.2
173.04463	0.5
179.05501	3.6
189.03984	0.2
191.05508	0.6
205.07121	6.9
206.07449	0.3
214.03032	0.2
223.84042	0.3
225.91470	0.2
230.21494	0.2
247.08231	3.4
289.06824	0.3
289.09390	2.5
307.10309	0.3
310.18454	0.2
541.31958	1.2
542.32440	0.3
607.34906	1.4
735.39990	0.9
753.40662	52.9
754.40979	10.4
755.51843	0.3
795.38928	0.3
855.40088	0.6
881.35175	0.4
899.46472	100.0
900.46808	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25329	0.2
67.01765	0.2
69.03322	3.2
70.91245	0.4
70.91610	0.5
71.01254	54.2
72.01590	0.5
72.26711	0.3
72.99178	7.9
73.02820	14.0
75.00731	1.4
81.03338	1.0
83.01260	7.4
83.04903	0.7
84.02021	0.5
85.02824	25.6
85.99971	2.0
86.03176	0.5
87.00749	10.0
87.04399	3.1
89.02319	35.5
90.02628	0.6
93.03334	0.3
95.01270	4.0
97.02831	4.8
99.00761	3.0
99.04391	1.1
101.02323	43.6
101.21215	0.3
102.02660	0.7
103.03890	7.9
103.12473	0.3
109.02818	0.5
111.00749	1.0
112.01551	0.6
113.02332	21.5
114.02637	0.6
115.03894	3.8
119.03391	13.5
122.05961	0.3
124.03928	0.3
125.02335	5.3
127.03877	1.7
131.03395	6.0
132.44644	0.3
137.02376	0.5
141.01920	0.3
143.03401	12.9
144.03714	0.5
145.04961	2.4
149.04460	0.4
150.03136	0.3
151.03873	0.3
161.04483	3.1
163.06039	13.1
173.04466	0.6
179.05530	3.8
191.05539	0.7
205.07106	7.3
206.07460	0.3
247.08203	4.1
265.09274	0.3
289.09402	2.4
307.10275	0.3
445.29718	0.3
541.31665	1.6
602.17645	0.3
607.34760	1.4
687.26550	0.3
735.39270	0.6
753.40643	54.8
754.40948	11.2
754.54816	0.4
899.46454	100.0
900.46777	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98403	13.1
65.42118	7.1
70.03947	23.1
71.01260	58.4
79.95611	13.5
80.96394	17.6
85.02834	11.5
87.00768	11.9
89.02305	30.1
93.36181	6.2
97.02834	10.4
101.02328	26.0
109.06487	8.0
113.02342	18.8
119.03399	7.4
123.04428	15.5
125.02330	89.4
137.02426	15.5
143.03493	7.8
149.02434	8.6
151.03938	14.8
161.02312	9.1
163.11209	9.1
164.35081	7.1
165.85806	6.0
167.03467	39.6
171.10184	91.8
197.11836	6.9
201.11261	15.9
207.10266	29.3
209.11710	9.6
211.13367	9.1
223.09589	10.1
225.00685	8.7
225.11311	60.4
235.08267	12.7
243.12396	8.2
277.21689	100.0
278.22107	10.1
279.23087	15.9
289.07153	17.5
317.94418	7.1
379.12253	16.1
397.13547	58.2
415.14804	8.1
605.24438	6.9
623.25739	7.9
883.47223	13.7
900.46735	13.5
901.46216	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47540	6.6
62.98403	14.2
62.99131	15.1
63.75720	7.2
63.99112	12.3
71.01245	30.5
72.82250	7.8
75.00758	9.6
78.95772	7.8
79.95599	9.1
80.96397	9.8
87.00751	11.0
89.02281	11.6
95.95095	7.8
96.95893	13.4
101.02308	14.2
113.02335	10.2
115.00276	13.1
116.92717	12.6
125.02348	13.4
135.41682	7.5
157.48900	8.0
171.10143	19.6
175.02373	13.6
197.11719	10.6
211.13374	54.8
212.13603	21.4
225.11246	17.9
241.14427	28.9
251.12659	6.7
253.09219	14.8
277.21747	100.0
278.22098	38.8
293.21140	11.9
386.18347	7.8
394.98703	8.4
397.13531	16.4
413.38458	7.6
467.73404	9.8
627.27307	10.4
738.45386	17.7
900.46497	22.5
901.46344	19.5
918.14374	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	900.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98410	7.9
63.99133	5.7
70.00694	3.9
71.01258	27.3
72.01575	3.9
72.99192	11.6
75.00739	41.5
79.95631	4.8
83.01257	5.5
83.04934	4.9
85.02822	9.2
85.12983	3.8
87.00758	30.5
89.02322	8.2
96.95910	10.2
99.00811	4.4
101.02338	8.8
113.02359	10.0
115.00253	46.0
116.00559	4.2
125.02328	4.3
129.01730	4.3
171.10143	28.7
172.10611	3.7
175.02422	71.9
176.02747	10.8
197.11774	17.5
198.12141	6.8
211.13321	44.5
212.13684	16.0
213.14845	4.4
225.11288	5.7
235.08212	5.7
239.12769	4.4
241.14478	16.7
242.14757	9.1
253.09288	11.8
277.21725	100.0
278.22037	63.5
285.13351	6.5
397.13757	6.1
503.21448	5.2
637.76508	4.7
725.97485	4.1
738.45044	10.0
760.43817	6.1
778.40570	5.1
780.42859	9.6
781.44476	7.4
782.44055	57.7
783.44238	11.2
822.43329	12.4
823.43329	4.2
856.84192	4.6
900.44446	8.2
901.45844	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	900.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98407	4.6
69.03329	2.2
69.80876	5.4
69.81290	8.1
71.01252	30.9
72.99183	8.7
73.02815	4.2
75.00741	30.3
78.11415	2.1
80.96375	4.4
81.03317	4.5
83.01249	2.8
85.02824	11.8
87.00754	43.1
89.02313	4.9
92.43563	2.2
95.72874	2.2
96.95872	4.8
97.02831	6.0
97.06520	2.6
98.19874	3.8
101.02318	8.7
109.02798	4.2
109.47826	2.1
113.01636	2.4
113.02335	9.0
115.00260	65.6
116.00590	7.4
116.92705	2.3
123.04439	4.9
125.02309	2.5
127.00200	3.0
127.03916	4.8
151.03879	2.6
169.04996	3.0
171.10176	24.4
171.61464	2.5
172.10503	7.6
175.02393	100.0
176.02675	15.1
195.13902	3.2
197.11726	11.4
198.12183	3.3
201.11407	3.3
202.44539	2.6
205.12209	2.6
207.10352	3.4
211.13324	22.7
212.13734	5.7
213.14822	3.0
225.11320	4.2
235.08156	3.5
241.14442	9.0
242.14757	5.4
245.11842	3.2
251.12988	2.8
253.09242	7.0
277.21725	51.5
278.22046	26.9
285.13428	8.4
286.13681	3.9
397.13315	6.7
430.38095	2.4
503.21634	3.4
504.21664	3.0
507.87045	2.3
522.22308	2.5
636.74854	2.8
738.44238	3.9
780.41937	4.4
781.43823	4.6
782.44061	35.5
783.44061	6.4
822.44092	4.5
900.47076	5.5
901.47339	12.6
921.68433	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	900.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98396	20.2
62.99124	14.9
66.44693	19.0
69.58667	100.0
71.01252	25.0
80.96384	25.1
104.84369	14.6
167.98552	15.7
257.59210	17.5
277.21713	51.4
278.21927	22.3
342.23746	30.3
784.73315	17.8
901.49377	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88638	28.1
75.72249	25.2
96.95873	43.8
98.19781	100.0
139.78989	26.2
193.19362	31.4
194.79117	31.0
204.24246	30.5
229.94460	37.8
277.21643	48.0
901.48517	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.9
71.01257	28.2
71.04887	1.9
71.52906	0.8
72.99176	2.7
73.02815	4.1
78.95786	0.8
79.95592	1.6
80.96394	5.0
83.01253	2.2
83.04910	1.3
85.02824	5.6
87.00755	4.6
89.02315	14.0
94.98023	0.9
95.01279	1.7
95.04879	1.2
97.02831	7.9
97.06473	1.7
98.87997	0.9
99.00766	13.3
101.02325	14.3
109.06485	2.0
110.03578	1.0
113.02351	6.6
116.92710	2.6
118.11623	0.8
119.03416	3.9
121.02829	0.8
123.08067	2.1
125.02312	6.5
125.09619	4.3
127.11179	1.9
131.03377	1.0
133.05031	0.9
135.08168	1.1
142.02629	1.6
143.03375	2.1
148.98970	0.7
149.04367	0.9
161.04491	2.9
163.11188	8.1
171.08766	1.6
171.10184	24.3
172.37914	0.9
179.05513	2.6
181.12283	13.7
185.11737	1.0
189.09151	0.8
192.27525	0.7
197.11795	1.0
199.13341	15.1
200.13635	0.9
201.11250	3.3
207.10207	37.4
208.10553	2.2
209.11711	1.0
211.13371	1.9
221.06624	4.7
225.11284	52.7
226.11572	2.4
227.12691	1.0
235.08116	2.5
243.12366	15.4
263.07501	0.9
277.21729	36.4
278.21982	2.8
289.07037	0.9
291.19595	0.9
293.21237	2.3
294.21738	0.9
305.09030	1.1
309.20441	1.0
379.12561	4.3
397.13480	17.9
398.14032	1.1
415.14499	4.8
605.24707	3.2
623.25378	6.8
641.26508	1.3
883.46753	13.0
884.47241	1.8
901.47913	100.0
902.48132	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	901.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	2.0
71.01255	10.0
71.52070	0.5
73.02823	1.5
74.83836	0.5
79.01011	0.5
79.95607	0.8
81.03316	1.2
83.01267	0.6
83.04920	1.2
84.02046	3.7
85.02823	2.3
87.00742	2.6
89.02319	6.7
95.04932	0.5
96.95898	2.8
97.02832	2.9
97.06468	6.2
99.04367	1.3
101.02310	7.3
109.02832	1.0
111.08057	1.1
113.02324	3.4
114.93371	0.5
116.92776	1.6
119.03387	2.2
121.10072	0.6
125.02343	4.3
125.09609	1.6
127.11163	0.7
137.02367	0.8
137.09581	1.2
143.03380	1.8
151.11182	0.8
161.02231	0.6
161.04457	2.1
163.11188	1.1
165.12793	1.0
169.12323	1.1
171.10182	15.6
173.04533	0.6
177.12738	0.8
179.05461	2.8
183.13882	2.8
191.05428	0.8
193.12273	9.0
195.13879	0.8
195.79066	0.5
197.11757	6.2
199.13237	1.5
208.10538	0.8
209.11743	7.3
210.12105	1.8
211.13345	22.4
211.40567	0.6
212.13638	1.8
221.06651	1.0
221.11787	1.1
223.13358	1.2
225.11392	0.8
225.14932	13.7
226.15276	0.9
227.12807	5.0
229.14249	0.6
235.08238	3.4
243.15953	6.2
250.25816	0.5
253.09251	15.8
253.14514	1.4
254.09679	0.7
273.18646	0.7
289.07104	1.3
291.19666	8.1
292.19949	1.6
293.21207	11.7
294.21393	1.1
305.21341	0.7
309.20706	19.2
310.21011	2.4
323.09592	0.7
323.22064	1.0
327.21616	0.8
341.23300	100.0
342.23669	9.1
355.24796	1.0
379.12491	1.6
397.13516	14.4
398.13693	2.1
415.14453	4.5
481.80542	0.6
491.04117	0.5
577.32538	4.7
578.32642	1.2
591.25793	0.6
609.27289	1.3
625.27649	0.8
665.46460	4.7
666.46198	1.1
828.51056	0.6
901.47083	2.1
902.48029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98409	19.5
62.99134	10.1
66.61572	8.3
70.01960	26.4
71.01257	56.4
73.45592	8.8
85.02841	18.6
87.00793	10.4
89.02326	44.9
89.21195	7.6
97.02804	11.2
101.02339	47.3
113.02304	29.8
119.03375	15.4
125.02332	25.5
151.14098	8.1
161.04324	8.7
163.11182	15.2
169.31831	7.8
171.10170	80.6
172.10475	23.9
201.11266	89.5
202.11752	8.3
207.10094	11.3
209.11755	100.0
213.05070	8.3
225.11339	40.8
226.11696	19.9
235.08229	16.5
243.12398	11.0
277.21756	89.2
278.22034	30.5
293.21140	10.9
379.12473	16.0
397.13440	80.7
398.13593	27.1
415.14600	28.1
432.89355	8.6
750.77533	9.7
763.80212	9.3
867.47687	33.7
902.46008	10.3
903.45105	71.3
933.60516	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	905.236
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02280	0.2
65.00182	0.3
70.16898	0.1
71.01247	0.2
71.53200	0.2
72.14246	0.1
73.41286	0.1
75.07814	0.1
79.76894	0.1
83.01269	0.3
85.02797	0.2
89.02319	1.1
92.02396	0.1
107.01254	0.9
108.02063	1.1
109.25040	0.1
119.04919	1.7
121.02862	0.3
124.01537	0.1
125.02364	0.1
131.03363	0.3
135.00758	0.3
148.01552	1.0
149.02542	0.2
149.04468	3.4
151.00275	3.1
152.01001	0.1
153.01772	0.1
158.35820	0.1
159.04330	0.2
163.00282	0.7
163.03937	2.1
164.01047	0.3
169.01295	0.3
172.05226	0.1
177.26776	0.1
178.99779	2.1
191.05432	0.2
192.00572	0.3
193.01439	0.2
199.04015	0.3
201.01846	0.2
203.03470	0.2
209.00772	0.1
211.03896	0.3
215.03389	0.4
216.04156	0.5
226.02690	1.3
227.03465	1.6
227.85103	0.1
228.03963	0.2
243.02943	7.9
244.03523	0.7
254.02196	1.4
255.02969	20.1
256.03351	1.4
271.02466	47.6
272.02930	4.4
273.03751	0.2
295.08136	0.7
299.01926	1.3
300.02731	87.9
301.03220	8.7
302.03693	0.2
609.14594	100.0
610.14935	12.5
634.04944	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	905.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.8
71.01254	7.8
73.02806	1.9
76.10336	0.7
83.01260	2.0
85.02824	4.7
87.00761	2.9
89.02327	2.1
93.03372	1.0
99.00758	1.0
99.30815	0.9
101.02304	5.5
109.02812	1.6
111.00771	0.8
111.04391	0.9
113.02322	2.3
117.71034	0.7
119.03445	1.1
121.06464	1.9
122.03609	1.0
125.02332	1.7
133.02875	0.9
135.04420	3.5
136.05199	31.5
137.02351	1.5
137.05617	1.2
138.02983	0.8
147.08075	1.1
147.61853	0.9
148.05167	2.9
149.05995	6.8
150.06789	4.3
151.03842	0.8
155.10715	1.0
161.02402	0.8
162.06813	2.1
163.07527	3.2
164.08353	3.7
165.09126	25.3
166.09358	1.2
173.04480	1.7
176.17932	0.8
179.07039	0.7
191.05458	0.8
201.11244	1.8
229.55884	1.0
289.07202	1.8
313.09119	0.7
329.23325	1.7
360.02884	0.8
416.28900	1.0
431.31583	2.7
434.30518	1.2
449.32712	10.3
450.33157	1.4
477.32233	2.7
491.28665	2.6
495.33292	2.4
609.13824	1.2
610.37170	1.4
611.37573	2.6
639.37531	1.9
656.37732	0.9
657.38495	9.5
658.38611	1.5
699.39496	6.6
819.43231	1.6
861.44885	100.0
862.45233	23.3
862.61652	1.8
905.26880	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	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51750	1.4
71.01254	14.9
72.99171	14.6
74.40819	1.6
75.00747	3.4
83.01252	4.2
85.02794	3.6
87.00748	9.2
88.98673	10.0
89.02317	6.0
99.00732	5.1
101.02308	5.2
111.00768	4.6
112.98701	19.6
113.02325	2.5
115.00259	13.9
118.78056	1.5
123.21755	1.5
124.98683	2.3
125.02308	2.7
129.01811	1.4
132.53793	1.5
142.92316	1.4
142.99767	35.5
145.01253	2.6
146.61047	1.5
148.71887	1.4
156.00531	3.8
173.00784	8.8
174.01608	28.6
175.02388	22.3
179.05684	1.7
183.13808	5.2
205.12210	1.8
211.13339	100.0
212.13708	7.5
223.13274	4.7
235.08165	4.6
237.14838	8.9
253.09282	6.5
255.23297	16.8
263.12793	4.1
277.21735	77.4
278.22092	6.0
319.62677	1.4
379.12286	3.6
393.37469	1.7
397.13486	13.9
415.14764	2.7
429.21362	3.4
447.22485	14.6
503.85266	2.1
707.43707	6.0
708.44537	2.0
745.41827	5.1
746.41425	2.1
763.43677	7.1
764.42639	2.1
777.44073	2.4
781.42926	2.3
803.41815	4.5
821.43121	5.6
863.44312	4.6
882.46472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	3.2
71.01265	10.0
72.99215	5.0
74.43138	2.5
75.00747	86.4
77.67996	2.7
84.46605	2.7
89.02305	11.0
97.02863	3.8
97.06474	6.4
98.20590	6.0
101.02334	8.4
113.02354	4.4
115.00217	3.1
125.02349	9.8
171.10181	11.0
173.04381	2.8
193.12311	11.0
195.13808	8.4
211.13425	3.8
218.07124	2.8
223.13321	3.8
225.14848	17.1
229.57199	4.2
235.08177	4.6
237.14851	5.2
243.16005	9.1
253.09314	37.4
255.23294	20.1
275.20032	4.0
277.21701	26.3
293.21265	81.6
294.21463	6.4
309.20599	4.5
341.23303	100.0
342.23630	9.7
342.64203	2.9
397.13507	12.4
449.27161	2.8
577.32355	9.4
607.23962	3.4
617.44006	9.0
849.57117	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	916.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12117	24.3
71.01240	58.9
80.96383	33.1
82.91545	28.3
96.55672	26.5
96.95884	68.4
98.19784	72.2
101.02338	41.1
121.02795	28.0
125.02348	100.0
151.04030	27.2
163.85483	24.7
165.01790	49.7
177.01781	38.3
177.03293	30.3
211.06856	25.4
289.07172	40.3
290.07397	30.5
306.33112	30.8
397.13278	49.4
408.48257	28.2
423.22589	26.2
686.18738	26.5
917.45245	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.528
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65447	21.5
70.54724	47.1
71.01246	46.0
75.00758	31.1
78.91752	25.3
79.95576	27.2
80.96394	54.4
87.00790	26.7
96.95895	23.7
101.51611	24.3
114.67503	20.3
123.04371	22.7
169.12248	30.2
171.10164	24.3
233.61237	25.4
277.21790	100.0
341.23355	42.0
397.13486	28.7
700.23773	23.6
795.90393	22.2
917.48206	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.9
69.95145	3.3
71.01257	19.7
72.99165	1.6
73.02814	2.8
80.02550	1.2
81.03342	2.5
83.01259	2.2
83.04902	7.0
83.11772	0.5
84.02028	1.6
85.02814	4.4
87.00739	4.2
89.02319	14.7
93.03339	0.7
95.01243	1.6
95.04888	1.6
96.95905	4.4
97.02837	3.8
97.94493	0.6
98.19854	0.9
99.00754	1.5
100.83708	0.7
101.01703	1.0
101.02326	14.7
109.06487	1.3
111.08051	5.9
113.02333	8.5
119.03365	4.1
125.02334	7.4
125.05952	0.9
125.09624	0.7
131.03331	0.6
135.07950	0.9
137.02335	0.8
141.01825	0.8
143.03409	2.5
146.86560	0.7
153.12698	1.0
161.04512	3.3
163.11208	6.0
165.12758	4.3
167.03253	0.8
169.12164	2.9
171.10182	7.9
179.05551	4.6
179.10684	0.7
181.12250	1.9
183.13814	0.7
185.11723	0.9
191.10646	0.8
193.12198	1.4
195.13927	0.9
197.11761	29.7
198.12120	1.4
199.06056	0.6
199.13301	2.0
201.11273	2.1
207.10136	1.6
209.11775	100.0
210.12123	5.3
211.13316	7.3
221.06627	1.5
225.11279	4.4
225.14996	0.6
227.12843	14.0
228.13136	0.9
235.08220	5.1
247.20575	1.3
253.09279	2.2
263.07755	0.8
263.20056	1.4
273.18570	0.9
287.07715	1.5
291.19666	17.7
292.20071	0.8
293.21243	12.2
305.08780	2.0
308.19498	0.6
309.20712	72.4
310.21100	4.6
323.09787	1.0
325.20117	2.9
340.66681	0.6
341.23355	2.0
357.22900	1.6
379.12476	3.5
397.13510	42.7
398.13959	1.5
415.14575	14.9
416.15027	1.1
607.25836	2.1
689.34064	1.3
707.35394	1.6
719.13507	0.6
850.67914	0.7
899.45471	1.1
917.47119	1.8
927.54584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25278	57.9
71.01249	100.0
72.01604	18.0
79.95564	14.2
80.96358	18.5
85.02865	15.5
89.02318	17.6
90.37823	15.0
101.02301	20.1
103.44057	15.2
113.02390	15.5
116.92762	25.7
125.02341	26.5
165.01791	16.3
171.10196	48.1
172.10419	15.5
201.11162	19.0
209.11656	28.6
225.11241	24.3
289.07086	20.7
293.21292	47.4
294.21585	38.7
397.13278	33.8
495.14001	17.5
726.97778	17.0
843.20703	16.0
918.46857	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67016	3.4
71.01257	15.2
73.02828	4.1
81.93689	1.4
83.01260	2.6
85.02836	7.9
87.00736	1.8
87.80278	1.6
89.02332	11.2
95.01293	1.6
97.02848	2.1
101.02331	13.5
103.03841	1.8
113.02324	5.9
119.03375	4.1
125.02312	4.5
143.03383	2.6
143.04454	1.3
151.45152	1.3
163.05988	2.0
171.10196	4.2
183.13733	1.7
185.64270	1.2
211.13342	12.5
245.08592	1.5
271.02652	1.5
296.96133	1.4
309.20755	3.2
327.21863	13.3
397.13458	6.6
415.14664	3.7
570.66864	1.5
737.41467	10.4
812.40247	1.3
883.46960	62.9
884.47156	16.0
919.44708	100.0
920.45068	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	919.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20978	11.2
71.01254	7.3
73.02811	2.4
74.45518	0.9
83.01276	2.9
85.02823	6.5
87.00739	2.5
88.15559	1.0
89.02338	2.0
93.03311	1.3
96.95870	1.4
99.00777	1.2
101.02306	5.3
113.02336	2.3
123.04346	1.5
125.02337	8.7
135.04367	2.6
137.02367	3.1
149.05945	3.0
150.06766	39.5
150.07974	2.4
150.31258	1.0
151.03918	2.1
151.07234	1.2
155.10722	2.2
161.02312	1.7
162.06715	3.0
163.07536	12.8
164.00993	1.3
164.08331	10.0
167.03487	1.4
173.04454	2.5
177.01871	1.3
178.09874	2.0
179.10690	18.7
180.11037	1.0
181.05035	1.1
191.05565	1.7
201.11160	1.7
215.03500	1.2
289.07138	3.9
410.84805	1.1
445.33362	1.4
447.25693	1.8
448.32178	2.1
463.34442	5.3
491.34439	1.5
508.34027	2.0
509.34747	3.1
610.37250	1.6
624.37781	1.6
653.39020	2.5
670.39227	2.0
671.40564	10.5
672.40637	2.9
713.41272	6.7
833.46344	1.8
875.46484	100.0
876.46735	21.4
924.72839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96103	1.5
69.03322	4.8
69.23942	3.5
69.24352	9.8
69.49238	1.4
71.01254	34.4
72.99178	4.1
73.02812	13.3
73.34155	1.7
76.91296	1.4
80.20287	1.5
81.03345	3.6
83.01258	5.7
85.02819	29.6
85.06458	5.1
85.99982	1.4
87.00763	11.3
89.02335	17.5
94.06520	1.7
95.01239	2.2
96.42177	1.3
97.02851	7.9
99.00743	3.4
99.04389	2.8
101.02326	21.5
103.03896	13.8
103.58781	1.5
106.06485	1.6
108.08137	1.8
109.02859	3.0
109.92588	1.4
113.02306	7.9
118.06496	1.5
119.03389	9.8
122.06001	17.8
124.01530	1.9
124.07528	1.9
125.02336	25.6
126.02701	1.7
127.03909	11.2
131.03653	1.7
135.04399	2.5
135.05746	1.3
136.07570	1.6
143.03424	4.3
144.04431	3.8
144.06888	2.4
145.04993	7.4
145.07610	6.7
146.06004	8.9
150.05548	8.2
156.08034	2.5
158.09639	7.5
160.03973	2.2
161.04579	3.6
162.05481	4.6
163.06015	23.4
164.07109	2.6
167.03265	1.8
168.06577	1.3
172.03923	5.2
173.04486	2.8
174.05513	7.3
176.07069	3.5
185.04591	3.1
189.06619	13.9
190.05042	3.1
200.03418	2.0
201.10257	6.7
202.05011	3.4
204.06570	5.4
205.07074	2.6
213.10286	2.0
214.12331	2.5
219.11330	9.6
223.08606	2.2
225.06546	2.5
225.10257	3.6
227.11879	2.1
229.13380	4.3
231.07773	1.9
233.06644	1.8
236.09392	3.3
237.10414	1.6
238.11028	4.6
239.08154	3.2
239.11826	1.7
240.09045	5.4
241.09830	5.3
247.08441	1.8
251.05835	3.9
251.08179	1.8
251.11888	5.8
253.09831	6.5
253.13412	9.7
254.10165	1.6
254.11818	4.8
255.11322	6.4
257.12991	5.1
264.08960	4.7
265.06287	2.1
266.06924	4.3
267.07822	11.6
267.11200	7.2
268.08511	3.1
268.11972	2.0
269.09259	3.7
269.12952	4.4
275.14047	8.9
279.07748	5.2
279.11362	7.0
280.08560	4.3
281.09421	12.0
282.10086	15.5
283.10535	4.0
290.06924	3.8
293.09253	3.5
295.10880	22.3
296.11334	3.0
297.12442	80.0
298.12784	10.6
301.11966	4.0
305.09149	4.1
307.07178	3.9
314.09119	7.8
323.10373	57.3
324.10706	6.5
329.15228	2.5
340.12909	3.6
341.11411	6.1
349.08420	7.9
355.13083	4.4
356.13895	2.0
362.14954	1.8
367.09296	14.8
399.11859	8.6
412.16962	2.0
437.23273	4.2
439.15219	5.7
444.18967	2.5
471.17984	3.2
474.47525	1.8
479.20718	2.8
481.22342	2.6
488.61295	1.9
492.17590	2.2
493.26227	2.5
495.24197	2.0
505.18564	2.2
507.20065	2.3
512.20294	1.6
520.22241	1.8
521.21820	2.0
535.23608	2.6
536.23071	2.1
537.25079	36.7
538.25525	5.5
555.26154	15.2
556.26135	3.5
563.23053	23.3
564.23230	5.5
566.79504	1.6
581.23969	31.5
582.24402	5.7
595.25665	7.6
599.25177	42.0
600.25751	8.6
607.22198	8.7
608.21979	1.7
613.26855	13.8
614.26770	4.1
625.23114	15.4
626.23175	3.2
631.27686	26.1
632.27686	5.6
639.25000	6.8
643.24097	7.9
657.25769	5.3
675.26251	5.1
685.24823	1.8
735.39667	3.1
753.40710	7.3
795.42133	2.8
803.31592	5.0
847.30450	100.0
848.30762	30.8
863.44275	4.0
879.32611	14.3
880.32977	4.2
881.45538	8.3
923.45593	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50384	0.5
67.01719	0.8
69.03322	3.2
69.95376	2.4
70.43814	0.4
71.01254	54.3
72.26179	0.4
72.99186	7.1
73.02820	13.5
75.00716	0.9
81.03291	2.2
83.01260	6.7
83.04856	0.9
83.24255	0.6
84.02000	0.6
85.02825	35.9
85.99939	1.5
87.00753	18.0
87.04397	2.3
88.01112	0.5
88.98640	0.5
89.02317	33.3
95.01264	4.6
96.95869	0.6
97.02284	0.6
97.02837	6.3
98.19896	1.0
99.00757	3.8
99.04385	2.5
101.02324	36.2
102.02591	0.8
103.03326	0.7
103.03889	8.4
109.02843	2.9
111.00748	0.7
111.04395	0.5
113.02326	26.6
114.02579	0.6
115.03892	2.4
116.92745	0.7
119.02605	1.0
119.03386	12.9
124.76575	0.6
125.01485	0.5
125.02339	9.1
127.03917	10.6
131.03375	5.3
137.02296	1.5
143.03407	14.8
145.04970	3.8
155.03339	0.6
161.02396	0.7
161.04517	2.7
163.06042	12.8
167.03459	0.5
173.04456	0.6
177.36913	0.4
179.05545	3.5
185.04459	0.7
205.07106	6.0
229.06989	0.6
230.05270	0.5
233.06557	1.8
247.08066	2.4
289.09219	1.7
317.00620	0.5
345.57114	0.5
525.32336	0.5
591.35120	2.0
622.80048	0.6
633.70111	0.5
719.40125	3.1
720.40717	0.8
727.43518	0.6
737.41150	68.2
738.41461	12.4
738.52856	0.4
779.42377	1.0
818.34692	0.5
865.45929	14.8
866.46478	2.7
883.46960	100.0
884.47229	20.8
884.64923	0.7
925.47913	5.5
926.48706	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.479
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99688	0.8
69.03327	8.4
70.38809	1.3
71.01255	97.8
72.01604	1.5
72.99184	12.5
73.02821	42.1
74.03172	0.5
75.00750	1.8
81.03333	3.5
83.01259	11.5
83.01721	0.9
83.04906	1.3
84.02068	0.8
85.02827	63.2
85.99967	3.9
86.01202	0.5
86.03153	1.1
87.00758	34.6
87.04385	6.3
88.01096	0.6
89.02319	61.2
90.02631	0.7
95.01270	8.6
95.01833	0.7
97.02835	17.7
99.00758	4.9
99.04409	2.1
101.02328	79.2
101.05978	0.9
102.02694	1.4
103.03894	26.0
108.02020	0.5
109.02861	2.5
111.00748	2.2
113.02337	36.8
114.02668	0.7
115.03899	8.1
119.03391	21.6
120.03726	0.6
124.01548	8.3
125.02341	60.8
126.02624	1.3
127.03899	8.8
131.02463	0.9
131.03400	10.4
142.02582	0.5
143.03404	22.7
145.04984	9.7
149.04465	1.0
161.04486	3.7
163.06038	38.2
164.06343	1.4
179.05530	2.3
185.04550	0.7
205.07121	13.3
219.08672	1.6
233.06653	5.2
247.08226	7.7
271.08176	1.2
289.09283	2.6
307.10324	0.7
321.89084	0.5
331.10239	0.7
420.92264	0.5
429.30356	2.2
461.91281	0.5
473.29111	0.7
525.32288	1.3
537.32294	1.9
555.32800	0.7
573.34424	7.3
574.34326	1.1
587.13293	0.5
591.35364	2.6
719.40070	18.4
720.40375	3.6
737.41174	61.6
738.41626	13.9
779.42157	35.8
779.57031	1.1
780.42584	8.8
865.45874	49.0
866.46106	12.0
883.46967	100.0
884.47223	23.5
925.48022	60.2
926.48413	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	0.9
68.99693	1.0
69.03322	9.7
70.60889	0.8
70.61250	0.7
71.01253	100.0
71.04897	0.5
72.01595	1.0
72.99181	14.6
73.02821	37.8
74.03150	0.6
75.00754	3.4
76.18848	0.4
79.01765	0.4
81.03333	3.3
83.01254	11.9
83.04882	1.0
84.02032	0.6
85.02824	58.7
85.53738	0.4
85.99977	3.8
86.03157	1.0
87.00751	37.2
87.04391	5.6
89.02317	56.7
90.02642	0.8
95.01263	9.0
97.02831	19.4
99.00764	5.3
99.04392	2.1
100.01511	0.5
101.02322	80.5
102.02649	1.0
103.03891	22.2
108.02068	0.5
109.02837	1.8
111.00775	1.7
113.02328	34.5
114.02676	0.8
115.03899	6.6
119.03390	23.1
120.03725	0.5
123.00745	0.5
123.04437	0.6
124.01555	8.7
125.02338	59.9
126.02672	1.4
127.03900	6.8
131.03391	11.2
137.02383	0.4
139.00229	0.6
143.03401	19.9
144.03812	0.4
145.04964	8.4
149.04440	1.2
151.34911	0.4
159.02936	0.4
161.04488	3.2
163.06033	35.7
164.06441	0.9
179.05597	2.2
185.04555	0.6
205.07118	11.8
219.08670	1.1
233.06628	4.6
247.08221	6.1
249.68726	0.4
271.08255	1.3
289.09415	2.5
307.10306	1.1
331.10468	0.9
341.99872	0.4
427.28519	0.5
429.30194	1.5
456.45343	0.5
525.32281	0.7
537.32269	2.5
555.33105	0.6
573.34326	5.6
574.34637	0.6
591.35187	1.2
687.52246	0.5
706.75482	0.4
719.40192	15.0
720.40527	1.9
737.41168	43.1
738.41345	6.1
779.31366	0.5
779.42200	30.0
780.42499	5.7
865.45880	46.0
866.46222	8.5
883.46960	74.4
884.47229	15.5
925.47986	64.0
926.48352	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00217	0.2
67.01750	0.5
68.99675	0.4
69.03329	3.3
71.01254	54.2
71.04885	0.5
71.52608	0.3
72.01590	0.7
72.99183	7.0
73.02820	14.2
74.03171	0.2
75.00733	0.9
81.03331	2.8
83.01259	6.6
83.04905	1.1
84.02036	0.5
85.02824	36.1
85.99977	1.9
86.03181	0.5
87.00751	18.8
87.04390	3.1
89.02319	34.6
90.02646	0.4
91.75547	0.2
93.03297	0.4
95.01270	4.3
95.04882	0.3
97.02831	6.7
99.00758	3.2
99.04396	2.2
101.02325	36.8
102.02666	0.9
103.03895	7.2
107.04893	0.2
108.02048	0.3
109.02835	3.3
111.00784	1.0
111.04398	0.5
112.01551	0.7
113.02332	26.2
114.02643	0.3
115.03893	3.0
119.03395	12.4
123.04433	0.4
125.02335	7.4
127.03905	11.4
127.30668	0.2
129.01799	0.3
131.03404	6.3
135.04399	0.5
137.02367	0.9
137.21173	0.2
139.03900	0.2
142.02721	0.3
143.03406	14.6
144.03729	0.5
145.04977	4.7
146.05217	0.2
149.04449	0.6
153.05417	0.3
155.03444	0.4
159.02959	0.3
161.04445	2.4
163.06035	12.5
164.06346	0.3
165.05478	0.3
167.03432	0.4
173.04480	0.3
179.04335	0.2
179.05573	2.4
183.06560	0.3
185.00812	0.2
185.04431	0.7
189.03914	0.3
191.05431	0.2
205.07100	5.3
209.11806	0.3
229.07129	0.4
233.06619	1.6
247.08160	2.0
248.08539	0.3
271.08136	0.2
289.09399	1.8
307.10272	0.3
316.95410	0.2
405.92355	0.2
525.31946	0.7
591.35333	1.6
655.59723	0.2
719.40094	2.9
720.40308	0.6
737.41174	66.0
738.41486	14.3
779.42688	1.3
780.42499	0.3
821.43726	0.2
829.44867	0.2
847.45239	0.6
865.45923	15.5
866.46375	3.6
883.46954	100.0
884.47260	24.3
925.47949	6.6
925.61481	0.2
926.48077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	0.8
68.99702	1.0
69.03326	7.9
69.84499	0.4
69.98769	0.6
69.99156	1.0
70.59319	0.3
71.01251	93.7
71.04884	0.7
72.01620	0.8
72.99181	12.4
73.02816	34.8
75.00758	2.7
75.82758	0.4
81.03329	3.7
83.01258	11.7
83.04884	0.8
84.02027	0.6
85.02821	56.9
85.99963	3.3
86.03146	0.8
87.00747	33.5
87.04391	5.3
88.01115	0.5
89.02316	57.2
90.02665	0.6
95.01272	7.7
97.02831	16.1
99.00764	3.9
99.04386	2.2
101.02320	76.7
102.02682	1.7
103.03886	23.7
107.92410	0.4
109.02818	2.2
109.57559	0.5
111.00765	1.6
112.01567	0.4
113.02327	33.8
114.02641	0.9
115.03886	7.0
119.03387	20.9
120.03738	0.6
123.00830	0.6
124.01566	6.8
124.09817	0.4
125.02335	54.7
126.02677	1.5
127.02956	0.5
127.03909	9.0
131.03381	9.6
134.84566	0.4
137.02333	0.6
138.11314	0.5
143.03397	21.0
145.04965	8.2
149.04482	1.0
155.03339	0.5
161.04485	3.1
163.06026	38.2
164.06342	0.7
179.05592	2.6
179.06895	0.6
185.04512	0.6
205.07098	11.3
219.08748	1.4
233.06566	5.2
247.08186	7.1
269.53931	0.4
271.08289	0.8
289.09384	2.6
307.10455	0.8
331.10248	0.6
351.67065	0.4
427.28552	0.5
429.30286	0.5
487.31296	0.5
525.32355	1.1
537.32617	2.2
555.32867	0.8
573.34314	7.2
574.34656	1.0
591.35345	2.2
633.36456	0.5
719.40094	19.1
720.40826	2.8
737.41168	62.9
738.31421	0.3
738.41486	10.4
779.42206	31.5
780.42450	6.3
865.32959	0.8
865.45837	49.5
866.46185	10.1
883.46918	100.0
884.47241	19.2
925.47998	61.3
926.48376	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73178	0.2
67.01742	0.5
68.99699	0.4
69.03322	3.5
70.68198	0.2
71.01252	60.5
71.04891	0.7
71.23988	0.5
72.01594	0.7
72.18064	0.2
72.99176	8.1
73.02817	14.9
75.00756	1.1
81.03333	2.9
83.01256	7.0
83.04894	1.3
84.02031	0.7
85.02821	40.0
85.99962	2.6
86.03164	0.8
87.00748	21.3
87.04400	3.0
89.02315	36.4
90.02692	0.4
93.03345	0.4
95.01261	4.7
95.04890	0.3
97.02824	7.0
99.00764	3.5
99.04391	2.9
101.02321	41.6
102.02668	0.8
103.03201	0.4
103.03885	8.8
109.02826	3.6
111.00784	1.2
111.04374	0.4
112.01551	0.7
113.02328	30.0
114.02637	0.4
115.03908	3.0
119.03387	13.4
121.02788	0.2
123.00711	0.2
123.04387	0.4
124.01541	0.3
125.02334	8.3
127.03905	12.4
128.04205	0.4
131.03389	6.5
135.04369	0.4
137.02328	1.1
139.00221	0.3
139.03889	0.4
143.03394	15.7
144.03749	0.5
145.04961	5.1
149.04480	0.5
151.03893	0.4
155.03412	0.8
155.56354	0.2
159.02901	0.5
161.04462	2.6
163.06027	15.2
164.06377	0.3
167.03566	0.3
179.05522	3.1
181.54306	0.2
185.04475	0.6
190.12115	0.3
203.05505	0.3
205.07098	6.2
223.01927	0.2
229.07147	0.4
233.04399	0.4
233.06587	2.5
247.08191	3.0
259.08109	0.4
289.09439	2.1
303.82379	0.2
307.10434	0.6
325.11575	0.3
338.52939	0.2
525.32007	0.7
555.34399	0.3
591.35236	2.0
633.37036	0.3
661.36237	0.3
719.39935	3.4
720.40735	0.4
737.41119	72.1
738.41516	13.3
738.55334	0.3
779.42206	2.1
780.42877	0.4
782.24213	0.3
847.45020	0.4
865.45813	15.4
866.46155	3.7
883.46912	100.0
884.47186	20.6
925.47974	6.8
926.48480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10921	0.3
69.03326	1.5
71.01255	27.5
71.51974	0.5
72.01591	0.4
72.99178	4.8
73.02824	7.0
75.00736	0.9
81.03326	0.8
83.01257	4.2
85.02826	14.9
85.99975	0.9
87.00746	6.5
87.04396	1.4
88.00267	0.8
88.98671	1.0
89.02319	19.2
95.01255	1.9
97.02801	2.3
99.00770	1.4
99.04356	0.4
101.02327	21.1
102.02618	0.4
103.03891	3.3
107.38957	0.4
111.00762	0.6
113.02341	11.2
115.03891	2.4
116.92802	0.4
119.03403	7.0
125.02321	2.8
127.03873	0.9
131.03407	3.5
143.03406	5.8
145.04951	0.9
149.04533	0.4
161.04463	0.8
163.06035	3.6
179.05412	0.5
182.73004	0.4
205.07152	2.1
223.56218	0.5
247.08096	0.6
289.09277	0.6
320.36932	0.4
346.58453	0.4
557.27716	0.4
575.36121	0.6
617.72998	0.4
657.62067	0.5
721.41687	20.4
722.41992	4.7
832.25488	0.4
867.47491	100.0
868.47760	29.8
927.46265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
70.64919	1.0
70.65293	0.8
71.01254	14.9
72.99176	1.1
73.02820	2.3
75.00751	0.7
81.03328	0.7
83.01266	1.6
83.04897	0.8
85.02821	3.2
87.00735	3.4
89.02324	10.8
95.01244	1.2
97.02828	2.5
99.00744	0.8
101.02323	10.0
105.01816	1.3
111.00733	0.6
112.35718	0.4
113.02341	5.7
119.03385	2.6
121.02859	0.6
125.02347	4.2
127.54648	0.5
132.87454	0.5
139.03920	0.6
143.03413	1.8
154.73584	0.5
161.04477	3.0
167.14270	1.2
179.05547	3.9
183.13832	6.4
185.04393	0.5
193.12286	2.1
199.06020	0.7
211.13341	100.0
212.13680	6.2
217.07170	0.5
221.06609	1.7
235.08127	4.9
253.09271	1.0
253.14577	0.5
259.08249	0.5
263.07822	0.5
277.21722	45.1
278.22098	4.0
287.07764	2.1
305.08804	1.9
319.22568	0.5
323.09903	1.3
379.12463	8.7
380.12894	0.8
397.13504	35.2
398.13831	1.9
415.14606	6.9
429.20908	0.6
436.25757	0.5
519.38104	0.5
591.26471	7.0
609.27600	7.5
610.27618	0.9
646.16565	0.5
657.35181	1.2
658.34741	0.6
672.85077	0.5
675.35913	1.9
676.36682	0.8
869.49652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.47
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	11.7
71.07523	4.6
71.07881	5.9
72.99169	5.8
76.75663	3.5
77.06662	3.7
85.02811	4.7
87.81659	2.8
88.98682	100.0
89.02325	15.4
89.99018	3.9
101.02310	5.4
113.02324	3.6
120.10444	3.1
123.04406	9.1
125.02342	39.7
126.02674	3.9
137.02361	8.3
151.03938	5.1
161.02361	4.6
164.01102	7.6
167.03455	4.1
179.03474	4.0
187.43117	4.4
210.78026	3.2
211.13277	4.8
214.96654	4.1
275.30017	3.9
284.56702	4.0
289.07071	18.2
290.07370	3.8
293.18018	3.7
309.20947	4.6
869.47540	7.6
870.48486	30.4
871.48596	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	930.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01279	24.2
72.99174	22.9
75.00761	20.9
78.22115	18.3
84.01958	17.1
84.86728	17.0
86.17404	16.7
88.98677	46.0
123.04458	21.8
125.02333	100.0
137.02325	21.6
137.38283	16.7
145.89319	16.5
151.03874	29.2
164.01045	23.7
167.03363	20.6
177.01761	19.8
209.11789	27.4
222.23987	19.5
222.36758	23.2
245.08305	19.9
277.21777	39.4
289.07068	39.9
295.24454	20.5
357.18967	17.1
508.70969	21.3
885.29022	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01753	1.8
67.82288	1.1
69.03318	1.5
69.31248	8.5
69.31655	2.9
71.01263	1.4
75.75813	1.0
79.08692	1.1
81.03346	2.1
83.01261	3.7
85.02830	2.7
93.03333	11.1
95.01273	1.4
95.04864	1.7
95.25600	1.3
97.02821	4.9
98.19749	2.4
103.49852	1.2
105.03413	1.3
107.04910	1.3
109.02831	19.8
111.04382	2.9
112.66378	1.2
113.92887	1.5
115.14742	1.3
121.02847	2.4
123.04411	15.2
125.02337	100.0
126.02656	4.2
133.02820	5.5
135.03445	1.6
135.04427	23.1
137.02344	24.1
139.03854	3.1
145.02841	1.9
146.03674	1.8
149.02342	5.3
151.03903	13.4
159.04358	3.6
160.05151	1.2
161.02350	30.4
161.05977	4.5
162.02966	2.0
163.00232	2.6
163.03931	2.8
164.01013	4.4
165.01860	7.2
173.04468	27.6
173.05847	1.9
175.03935	10.8
175.07507	1.4
176.04330	1.4
176.92668	1.2
177.01865	7.8
177.05444	1.9
179.03421	21.8
180.03818	1.7
187.03972	8.5
188.04686	4.0
191.05533	22.3
199.03918	1.6
201.05518	2.0
203.03444	2.6
203.07065	10.7
205.01353	2.3
205.05055	7.6
212.04657	1.6
213.05533	1.8
215.03375	1.3
216.11731	1.3
217.05006	1.5
221.08067	1.9
227.03383	2.0
227.07040	1.9
228.04301	1.6
229.04945	4.5
231.02882	1.8
243.02919	3.9
243.06654	1.8
245.04536	6.2
245.08182	15.0
246.08357	1.5
247.06197	2.1
255.02934	11.3
256.03641	6.4
257.04471	2.6
269.04572	2.3
273.03949	3.8
281.04608	4.5
283.02444	3.6
285.03906	3.1
287.05646	14.8
289.07187	60.0
290.07410	2.5
297.04102	2.2
297.07608	1.5
299.05634	7.5
339.08664	5.1
353.08743	17.9
381.09537	2.6
407.07687	74.6
408.08078	8.7
425.08759	66.5
426.09186	5.9
451.10211	19.9
559.12952	1.6
577.13550	51.8
578.13904	7.6
585.26990	1.4
723.13977	1.4
833.28729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87183	15.7
71.01243	21.4
83.59285	14.9
98.42705	15.1
126.42704	14.0
132.80937	15.5
161.85628	14.2
168.16106	14.4
211.13362	100.0
212.13693	58.1
222.76431	17.1
235.97145	16.0
255.23000	17.5
277.21683	38.3
278.21994	26.5
323.15268	17.6
398.13986	28.3
409.22729	16.6
415.61951	15.6
541.56287	15.9
838.07422	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30866	100.0
71.01220	12.0
72.99191	23.7
83.31472	14.9
88.98689	22.5
94.09064	12.9
96.95892	56.8
125.02331	37.4
137.02298	12.0
151.03925	12.2
177.83607	11.1
288.60141	11.3
289.07294	25.5
293.21390	11.8
311.49609	12.4
336.37323	11.2
341.23141	14.4
551.32690	11.1
758.24298	12.3
786.09009	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	932.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98670	54.4
96.95890	23.5
98.19766	50.4
99.24532	27.6
121.02844	31.3
125.02323	100.0
137.02321	26.5
142.61031	23.3
150.58806	23.5
154.98514	22.1
164.32352	23.1
177.01831	22.8
289.07068	50.8
465.65289	27.5
945.31903	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.0
70.27458	2.2
71.01255	19.1
71.52257	3.2
73.02817	3.9
75.00735	2.9
79.95622	7.1
81.03326	3.5
83.01271	4.2
83.04884	2.6
85.02840	4.0
87.00752	3.6
87.80134	2.6
89.02328	13.3
96.95878	3.2
97.02850	3.4
101.02332	9.3
113.02328	6.9
119.03374	3.8
125.02338	9.0
129.01863	2.4
137.02306	2.5
161.04495	3.1
163.11189	5.9
165.12689	2.9
179.05685	4.1
183.13879	3.3
184.98509	2.7
189.42198	2.2
195.13821	5.1
209.11769	97.9
210.12212	5.2
211.13414	4.5
213.63142	2.9
223.13341	3.5
227.12828	9.1
228.13541	2.6
235.08092	3.3
270.08099	2.3
275.20212	6.9
289.07071	2.9
292.19788	2.6
293.21225	100.0
294.21594	10.7
379.12619	3.5
397.13470	41.7
398.13953	4.3
415.14456	12.5
446.62854	2.8
607.26526	6.8
691.35980	3.1
714.49854	2.5
933.48071	9.4
934.48682	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	935.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	8.1
73.02794	0.2
79.95618	0.2
89.02322	0.2
94.29732	0.2
96.95869	0.6
97.02829	0.2
101.02317	0.3
101.05967	0.2
102.87039	0.1
117.29493	0.2
123.04449	0.2
124.62262	0.2
125.02355	0.4
127.07555	1.2
137.02315	0.2
139.00095	0.2
148.05168	0.5
151.03911	0.3
151.07529	1.0
164.08279	0.9
165.01854	0.3
171.10193	0.5
177.09146	3.5
190.09863	0.3
192.11482	6.5
193.12091	0.5
201.11258	0.2
205.12297	3.1
207.13852	2.5
211.13365	2.1
217.08687	0.5
218.09396	2.1
219.09895	0.2
220.14635	42.3
221.15404	100.0
222.15738	5.8
225.11082	0.2
235.13345	2.2
236.10493	86.2
237.10899	5.6
253.14363	0.3
293.17590	63.6
294.17902	4.9
341.23145	0.3
342.23956	0.2
397.13617	0.3
415.14740	0.2
447.22287	0.3
525.10724	0.2
525.98962	0.1
609.67310	0.2
623.34222	0.3
641.34924	0.2
689.21869	0.2
935.49072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	0.7
69.52020	1.1
69.52434	0.4
71.01243	0.7
72.98405	0.2
83.01244	0.6
95.74348	0.2
98.19830	0.5
101.02315	0.5
107.01266	1.9
108.02052	1.2
109.02836	0.9
111.88421	0.2
113.02293	0.2
119.01298	0.3
121.02849	1.1
128.03047	0.2
135.00804	0.5
135.04417	0.2
148.01547	0.6
149.02318	0.3
151.00273	6.4
151.21690	0.2
163.00235	1.3
164.01093	0.5
167.03436	0.2
169.01324	0.5
178.99759	3.5
183.04391	0.4
187.03911	0.2
190.99644	0.2
192.00591	0.3
201.05421	0.3
203.03508	0.2
211.03964	0.5
214.02344	0.2
215.03322	0.4
226.02628	0.7
227.03476	1.5
229.04955	0.4
243.02957	5.4
245.04546	0.8
254.02208	1.4
255.02968	15.4
256.03409	1.2
271.02472	36.1
272.02884	3.1
273.03992	0.7
283.02545	0.6
299.01941	0.9
300.02731	66.0
301.03464	32.1
302.03787	1.8
369.19177	0.6
387.20352	0.7
429.21112	1.5
463.08807	100.0
464.09116	11.2
464.15878	0.3
465.09207	0.3
609.90155	0.3
661.26849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.7
66.77602	0.4
69.34914	2.5
69.35323	0.9
71.01249	1.4
76.85623	0.4
77.92071	0.4
83.01249	0.7
85.02792	0.5
98.19843	0.7
101.02354	0.7
107.01243	1.8
108.02027	0.8
109.02824	0.8
111.00752	0.4
113.02345	0.6
119.62896	0.4
121.02811	1.1
125.02293	0.7
129.24109	0.4
130.59627	0.4
148.01558	0.8
151.00288	6.8
159.04500	0.4
161.02328	0.5
163.00262	1.7
164.01088	0.6
169.01317	0.5
178.99785	3.6
184.96750	0.4
203.05605	0.4
211.03896	0.6
225.14948	0.8
226.02658	0.6
227.03452	1.2
228.04012	0.5
243.03001	6.1
244.03606	0.6
254.02350	1.0
255.00269	0.7
255.02975	15.5
256.03290	1.5
271.02499	32.0
272.02951	2.9
273.04019	0.8
283.02478	0.7
300.02753	65.3
301.03482	31.0
302.03824	3.1
369.19214	3.9
387.20346	2.4
429.21262	2.4
454.54150	0.5
463.08844	100.0
464.09177	11.9
465.09665	0.9
729.80542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.5
68.99686	0.8
69.03326	6.0
70.55866	0.8
71.01252	85.8
71.04897	0.7
72.01591	1.4
72.99181	11.8
73.02816	25.4
74.03155	0.3
75.00752	2.2
79.01780	0.4
81.03333	4.1
83.01255	11.0
83.04894	1.8
84.01591	0.3
84.02048	0.9
85.02821	51.1
85.99970	3.3
86.03152	0.7
87.00749	28.5
87.04382	4.0
88.01093	0.4
89.02315	47.4
90.02644	0.5
93.03355	0.3
95.01258	7.2
95.83287	0.3
97.02826	11.1
99.00763	4.7
99.04400	3.2
101.02320	63.4
102.02642	1.0
103.03885	14.6
108.02048	0.8
109.02836	3.5
111.00748	1.5
111.04368	0.4
112.01552	0.6
113.02327	37.7
114.02660	0.6
115.03897	5.5
119.03388	18.7
121.02801	0.3
123.00770	0.4
123.04449	0.3
124.01554	3.4
125.02335	25.9
126.02625	0.7
127.03906	12.1
131.03394	8.4
133.09270	0.3
135.04419	0.4
137.02333	1.3
139.03891	0.6
142.02592	0.5
143.03401	20.3
144.03696	0.5
145.04965	7.4
149.04471	0.7
150.16006	0.3
151.03932	0.3
155.03394	0.7
159.02910	0.3
161.04463	3.3
163.06030	25.1
164.06348	0.5
169.12274	0.3
175.02385	0.3
179.05510	3.7
185.04437	0.5
189.04088	0.3
205.07100	10.0
206.07373	0.5
213.09076	0.5
219.08719	0.5
225.05296	0.4
229.07019	0.7
233.06596	3.9
243.06633	0.9
247.08203	4.6
257.08078	1.8
258.08890	1.4
271.08145	0.5
273.11331	1.6
289.09332	2.3
301.40912	0.3
307.10333	0.6
331.10321	0.3
419.13464	0.3
427.28336	0.6
445.29526	0.5
479.94293	0.4
541.31689	1.2
553.31696	0.9
571.33008	0.6
589.33948	2.0
607.35016	1.8
608.36017	0.3
649.35858	0.7
651.91876	0.3
735.39557	8.5
736.40295	1.5
753.40637	75.6
754.40948	13.1
795.41791	11.8
796.41852	1.9
863.44763	0.8
866.76563	0.3
881.45398	25.0
882.45984	6.0
899.46429	100.0
900.46741	20.4
941.47418	16.3
942.47803	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	941.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.4
68.99682	0.4
69.03326	3.8
70.90659	0.8
71.01255	66.2
71.04895	0.7
72.01583	0.9
72.99181	7.9
73.02820	19.3
74.03156	0.3
75.00742	1.2
81.03332	3.3
83.01254	8.2
83.04890	1.3
84.02068	0.5
85.02826	43.1
85.06485	0.3
85.99968	2.3
86.03165	0.7
86.99976	0.4
87.00755	24.3
87.04390	4.7
89.02319	39.4
89.41403	0.3
90.02661	0.9
93.03315	0.5
95.00652	0.3
95.01260	5.9
97.02833	8.0
99.00751	3.5
99.04390	2.8
101.02324	48.2
102.02644	0.6
103.00243	0.3
103.03893	11.3
107.01281	0.3
108.02014	0.4
109.02831	3.5
111.00751	1.2
111.04402	0.8
112.01553	0.7
113.02333	31.5
114.02666	0.8
115.03906	5.0
117.03022	0.3
119.03394	14.8
120.03751	0.3
124.01557	1.3
125.02340	12.7
126.02750	0.3
127.03905	13.3
131.03397	7.0
135.04439	0.3
137.02330	0.5
143.03404	18.5
144.03693	0.6
145.04977	4.8
149.04456	0.7
155.03357	0.5
161.04477	2.9
163.06036	19.5
164.06410	0.6
179.05551	3.6
185.04417	0.7
205.07112	6.5
206.07414	0.4
211.03217	0.3
229.07097	0.8
233.06621	3.3
247.08223	4.2
289.09290	2.4
307.10220	0.6
331.10464	0.3
393.13971	0.4
541.31598	0.8
580.56415	0.3
589.33557	0.5
607.34723	1.3
649.35425	0.3
672.33582	0.3
735.39679	4.3
736.39978	0.9
753.40649	68.9
754.41028	15.0
754.55121	0.4
795.41882	4.4
796.42419	1.0
863.43396	0.8
881.45337	18.2
882.45605	5.3
899.46460	100.0
900.46783	27.1
941.47455	10.4
942.48041	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	941.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78772	0.2
67.01739	0.4
69.03334	3.0
71.01255	45.1
71.04891	4.8
71.20282	0.3
72.01601	0.6
72.99185	5.6
73.02818	14.2
73.06448	0.6
74.47033	0.3
75.00757	0.8
81.03329	3.2
83.01257	5.8
83.04901	13.3
84.02036	0.4
85.02826	30.3
85.90626	0.3
85.99969	1.8
86.03159	0.6
87.00329	0.2
87.00752	17.7
87.04392	14.8
89.02319	28.9
90.02662	0.5
93.03352	0.6
95.01274	4.0
95.04897	2.6
97.02822	5.3
99.00750	2.7
99.04398	7.3
99.08036	0.6
101.02324	34.3
101.05961	2.0
102.02654	0.5
103.03888	7.4
104.84354	0.3
108.02050	0.5
109.02847	3.0
111.00775	0.6
111.04424	0.8
112.01595	0.3
112.05197	0.4
113.02332	20.8
113.05943	1.3
113.37238	0.3
114.02694	0.4
115.03883	4.3
119.03393	11.2
121.02880	0.4
123.04423	0.2
125.02343	6.2
127.03912	10.6
127.06606	0.6
127.07552	10.2
128.07872	0.4
129.05522	0.3
129.09108	2.6
131.03397	6.8
131.07040	28.8
132.03703	0.4
132.07378	0.6
137.02359	0.4
143.03403	13.5
144.03807	0.3
144.71001	0.3
145.04953	3.3
149.04417	0.5
155.03439	0.4
157.08614	12.7
158.08954	0.4
159.02875	0.5
161.04489	2.2
163.06029	12.1
179.05563	2.1
185.04434	0.2
205.07112	6.6
206.07446	0.3
233.06586	2.0
247.08258	3.0
249.98468	0.3
259.07736	0.2
289.09180	1.6
336.78922	0.2
445.29230	0.4
475.27203	0.5
573.58466	0.3
577.30225	0.9
589.34100	0.4
595.31213	12.5
596.31451	1.5
603.31720	0.7
607.34875	2.5
608.34668	0.4
621.32855	7.4
621.42688	0.4
622.33124	1.0
723.35913	5.6
724.36780	0.8
735.39557	4.5
736.39508	0.9
741.37103	4.0
742.37347	0.7
749.37402	4.2
750.37256	0.6
753.40643	56.8
754.40985	10.7
767.38275	1.0
795.41626	1.1
845.42004	0.3
863.43964	0.8
881.45404	16.2
882.46008	3.4
899.46466	100.0
900.46790	21.7
941.47467	7.9
942.47913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.6
67.77570	0.2
68.99688	0.8
69.03323	4.4
71.01253	73.5
71.04865	0.6
71.08617	0.3
72.01579	0.8
72.99182	9.4
73.02818	18.8
74.03170	0.2
75.00741	1.3
81.03330	4.1
83.01255	9.0
83.04906	1.4
84.02033	0.6
85.02822	48.1
85.06452	0.5
85.99972	2.7
86.03153	0.6
87.00751	25.9
87.04391	4.5
88.01077	0.3
89.02316	41.9
90.02670	0.5
93.03313	0.6
95.01257	6.0
95.04887	0.3
97.02827	8.9
99.00758	4.0
99.04396	3.3
101.02322	49.5
102.02679	1.0
103.03886	10.6
104.04185	0.2
107.01224	0.2
107.04906	0.2
108.02058	0.5
109.02839	4.2
111.00750	1.2
111.04395	0.6
112.01550	0.5
113.02330	36.2
114.02685	0.7
115.03891	4.7
119.03390	14.8
120.03787	0.2
121.02868	0.3
123.04376	0.3
124.01531	0.4
125.02336	9.1
127.03902	15.1
128.04243	0.4
129.01782	0.2
130.46037	0.2
131.03395	7.4
131.07042	1.7
133.04984	0.2
135.04378	0.4
137.02364	1.1
138.71776	0.2
139.00340	0.2
139.03922	0.4
142.02605	0.3
143.03403	19.4
144.03770	0.5
144.06410	0.2
145.04968	5.1
149.02425	0.2
149.04469	0.8
151.03874	0.5
155.03439	0.6
159.02895	0.3
161.04471	3.9
163.06029	18.1
164.06342	0.5
167.03407	0.5
169.78975	0.2
177.05458	0.2
179.05531	4.2
185.04474	0.8
203.05652	0.3
205.07106	7.8
229.07126	0.8
231.08836	0.2
233.06610	2.6
247.08195	4.2
259.08093	0.7
271.08282	0.5
283.32516	0.2
289.06390	0.2
289.09299	2.7
290.09976	0.2
307.10260	0.4
331.10458	0.3
353.08267	0.2
393.13852	0.3
541.31854	1.1
607.34741	1.8
662.42737	0.2
735.39691	3.7
736.40009	0.7
753.40594	78.4
754.40930	16.0
767.38068	0.3
795.42017	1.6
845.43622	0.3
863.43970	0.8
881.45367	13.7
882.45959	3.3
899.46417	100.0
900.46716	23.4
924.31152	0.3
941.47778	3.7
942.47931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.474
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.8
68.99694	0.5
69.03326	6.8
71.01254	94.0
71.04884	0.6
71.11359	0.4
72.01597	1.0
72.99181	12.2
73.02819	32.2
74.03134	0.4
75.00754	1.8
81.03332	4.0
83.01260	11.1
83.04887	1.7
84.02029	1.0
85.02823	55.6
85.99979	3.5
86.03165	1.1
87.00749	31.7
87.04384	5.7
88.01067	0.5
89.02315	53.2
90.02670	0.8
95.01266	7.3
95.01904	0.4
95.04929	0.3
95.19083	0.2
97.02827	14.4
99.00751	4.4
99.04386	2.5
100.17564	0.2
101.02323	70.4
102.02677	1.1
103.03889	18.0
108.02032	0.5
109.00591	0.3
109.02847	3.9
111.00758	1.4
111.04435	0.4
112.01524	0.7
113.02329	39.4
114.02676	0.9
115.03898	6.7
117.01828	0.3
119.03394	19.8
121.02868	0.4
123.00739	0.5
124.01548	4.5
125.02335	38.8
126.02677	0.9
127.03904	12.2
129.01823	0.3
131.03397	10.6
133.04909	0.3
135.04410	0.3
137.02353	0.7
143.03404	21.2
144.03706	0.4
145.04971	7.7
149.04439	0.8
151.03879	0.4
155.03398	0.4
159.02882	0.4
161.04474	3.2
163.06035	31.1
164.06349	0.7
167.03366	0.3
179.05536	3.4
179.07024	0.5
185.04538	0.6
189.03923	0.3
198.44026	0.3
203.05394	0.3
205.07108	12.0
219.08723	0.6
229.07082	0.7
233.06628	4.4
235.54257	0.3
247.08206	6.8
271.08301	0.7
273.11337	0.3
289.09250	2.5
307.10455	0.8
331.10284	0.9
371.25894	0.5
445.29614	1.2
541.31805	1.1
553.31775	1.5
554.32074	0.3
571.32477	0.7
589.33917	3.6
590.34210	0.6
607.35046	2.1
608.36597	0.4
649.35712	0.5
717.37878	0.5
735.39557	10.7
736.39612	2.0
753.40613	68.4
754.27075	0.5
754.40942	15.1
795.41742	18.9
796.41852	3.5
863.43707	0.3
881.45380	34.1
882.45642	8.7
899.46436	100.0
900.46771	22.8
941.47406	27.2
942.47723	8.4
942.67114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01741	0.5
68.99680	0.6
69.03328	9.0
69.71503	1.4
71.01254	100.0
71.04897	0.9
72.01592	1.3
72.99181	13.7
73.02818	36.2
74.03156	0.6
75.00748	2.2
81.03335	3.5
83.01260	11.5
83.04901	6.9
84.02058	0.7
85.02824	58.8
85.16869	0.3
85.99962	4.2
86.03152	1.0
87.00753	34.6
87.04388	7.2
89.02317	56.5
90.02641	1.1
93.03288	0.3
95.01260	7.8
95.04881	0.5
97.02830	18.1
99.00753	3.9
99.04396	3.4
101.02324	80.5
102.02658	1.3
103.03891	21.9
108.02077	0.3
109.02828	3.2
111.00771	2.0
111.04375	0.5
112.01514	0.7
113.02331	35.2
114.02579	0.6
115.03903	6.9
119.03391	20.1
120.03781	0.4
123.00760	0.9
124.01556	7.9
125.02336	60.4
126.02662	1.3
127.03898	7.4
127.07513	1.2
131.02473	0.6
131.03400	11.4
131.07043	2.9
133.04913	0.6
135.04303	0.3
137.02330	0.4
139.00313	0.5
139.03899	0.4
143.03404	22.4
144.03728	0.7
145.04967	8.1
149.04492	0.8
155.03412	0.6
157.08574	2.0
161.04456	3.0
163.06030	39.2
164.06334	0.8
167.03326	0.4
179.05495	2.4
185.04451	0.8
205.07108	13.2
206.07442	0.6
219.08633	1.2
229.07111	0.4
233.04417	0.5
233.06627	6.2
247.08188	7.6
248.08569	0.7
265.09174	0.5
271.08197	1.3
289.09360	2.7
307.10379	1.3
325.23825	0.4
331.10269	0.8
359.25980	2.5
369.13913	0.4
397.27521	1.0
427.28455	0.5
445.29562	2.1
541.31946	0.6
545.73767	0.4
553.31952	1.9
554.32092	0.4
571.32288	0.8
589.33856	6.2
590.34070	1.0
595.31390	2.6
607.34656	1.8
621.33136	1.5
723.35730	0.7
724.36499	0.4
735.39648	16.7
736.39996	3.2
741.37335	1.8
749.36914	0.5
753.40613	46.5
754.40924	8.4
767.38220	0.8
768.40131	0.4
795.41730	31.9
796.42090	7.2
881.45404	48.1
882.45673	11.6
899.46436	75.3
900.46722	17.8
941.47467	49.6
942.47833	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	941.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.5
68.99674	0.7
69.03326	3.0
71.01256	60.0
71.04884	0.5
72.01580	0.5
72.99184	7.2
73.02821	15.1
75.00748	1.0
75.11626	0.3
81.03337	3.4
83.01261	8.0
83.04899	1.1
84.02042	0.4
85.02826	38.8
85.99976	2.8
86.03161	1.0
87.00755	20.8
87.04396	3.6
89.02321	34.6
93.03358	0.4
95.01273	5.6
97.02829	7.4
99.00755	3.1
99.04401	3.1
101.02326	39.8
102.02662	0.5
103.03889	7.9
109.02845	3.4
111.00755	1.0
111.04447	0.4
112.01550	0.5
113.02335	28.4
114.02658	0.9
115.03918	4.5
119.03399	13.2
121.02853	0.5
123.00774	0.3
125.02335	6.4
127.03908	11.1
131.02463	0.5
131.03401	6.9
135.04411	0.4
137.02362	0.8
143.03409	16.2
144.03670	0.3
145.04967	4.2
149.04498	0.6
150.03156	0.6
151.03889	0.4
155.03369	0.5
161.04451	3.2
163.06046	14.5
164.06361	0.4
165.05437	1.1
167.03586	0.3
171.34251	0.3
173.04523	0.5
179.03482	0.3
179.03993	0.4
179.05534	2.7
185.04500	0.8
195.06630	0.6
202.90776	0.3
205.07123	5.5
229.07162	0.4
233.06578	2.0
236.45079	0.3
247.08231	3.2
259.08270	0.5
286.30536	0.3
289.09442	1.6
297.12601	0.4
307.10382	0.3
330.51419	0.3
393.14212	0.3
541.31604	0.8
572.38806	0.3
607.34955	1.6
702.58063	0.4
735.39990	2.6
753.40662	64.2
754.41022	12.5
795.41522	1.4
865.30994	0.4
881.45471	14.9
882.45691	3.7
899.46484	100.0
900.46765	23.4
922.93408	0.3
941.47443	6.2
942.47827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03291	3.4
71.00402	1.7
71.01253	18.2
72.99181	1.7
73.02812	2.8
75.00755	0.8
76.37312	0.7
81.03323	1.0
83.01253	2.6
85.02810	4.6
85.06444	0.8
86.42854	0.5
87.00747	4.4
88.98695	0.6
89.02319	13.9
95.01260	1.9
96.93044	0.7
97.02848	1.5
99.00734	1.4
99.92474	0.8
101.02323	12.8
113.02335	8.3
116.92743	6.7
119.03387	4.2
125.02344	6.6
127.07549	0.6
131.03401	0.9
141.67828	0.7
143.03378	1.8
157.06433	0.6
161.04478	4.3
167.03416	0.8
167.10683	3.0
179.05530	4.2
179.10684	1.5
179.14265	3.1
183.54236	0.6
195.13818	10.6
205.12262	8.7
206.12581	0.9
221.06586	2.3
223.13347	100.0
224.13666	6.4
235.08199	3.9
253.09250	0.6
263.07874	0.8
277.21719	57.7
278.22064	5.7
287.07700	1.8
305.08823	1.6
323.09818	1.9
379.12454	11.0
380.12909	1.0
397.13498	46.6
398.13593	3.9
415.14462	9.3
603.26532	14.1
604.27374	1.6
621.27704	14.9
622.28412	2.3
657.34845	1.8
675.35944	2.7
774.85004	0.7
812.82379	0.8
881.49255	5.0
882.49158	1.5
968.01447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32364	2.1
69.32797	2.1
76.39310	0.5
89.14964	0.5
95.01244	0.6
107.01312	0.7
108.91969	0.5
109.02843	1.3
109.99986	3.4
111.00760	2.2
123.00763	1.2
125.02313	0.8
136.98720	0.8
137.99487	2.1
139.00272	5.4
148.01541	0.5
151.00273	7.1
151.37846	0.5
152.01079	1.1
159.32297	0.5
163.00305	1.2
164.00954	0.7
165.98967	4.8
166.99760	3.0
171.04332	0.6
178.99763	5.9
183.04510	0.7
187.03993	0.9
193.98453	0.6
194.99263	1.0
198.03174	0.7
199.03941	1.2
201.01823	0.9
203.03384	0.8
214.02721	0.6
215.03363	1.1
216.04163	0.6
227.03448	2.1
231.03006	1.0
242.02136	1.7
243.02946	4.7
244.03612	1.3
245.04274	0.5
255.02959	7.3
259.02362	1.6
260.03104	0.7
270.01669	4.6
271.02478	28.8
272.03006	2.7
273.03934	1.3
287.01968	11.4
288.02512	2.7
298.00903	1.1
299.01981	14.4
300.02734	25.7
301.03506	13.7
302.03979	1.1
315.01468	0.7
316.02237	45.3
317.02939	23.9
318.03232	1.0
377.71603	0.6
395.36011	0.6
401.47223	0.5
461.07159	0.7
463.08850	39.3
464.09039	4.4
477.06479	0.7
478.07373	2.4
479.08301	100.0
480.08630	11.3
720.64301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.8
69.65098	3.0
69.65513	7.4
71.01254	18.1
71.04888	1.8
73.02824	2.2
75.00748	2.1
81.03324	1.4
83.01262	1.5
85.02826	4.4
87.00741	7.8
89.02321	8.5
90.32751	1.2
95.01278	1.8
97.02831	13.5
97.06490	1.9
98.80388	1.2
99.00764	23.0
101.02319	10.0
110.03622	1.3
113.02319	5.8
119.03384	1.9
123.29594	1.3
125.02335	8.5
125.09597	4.7
135.08072	1.7
142.02571	3.2
143.03427	1.4
161.04465	2.4
163.11200	10.7
179.05466	1.4
181.12250	22.4
199.13338	4.7
207.10201	64.0
208.10611	2.1
213.58739	1.4
225.11282	93.3
226.11595	6.8
235.08295	2.2
238.44539	1.3
243.12376	37.8
263.07675	1.9
277.21725	50.1
278.22128	2.7
317.16220	1.8
379.12631	1.8
397.13425	7.1
415.14407	1.6
425.18530	2.1
447.89404	1.9
542.95459	1.7
605.24567	28.2
606.24585	3.8
623.25574	27.7
624.26233	1.5
872.06995	1.6
883.46985	100.0
884.47168	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	943.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.6
71.01255	31.8
72.01589	0.3
72.99182	4.1
73.02820	8.0
75.00747	0.6
81.03336	0.8
83.01262	5.1
83.04916	0.3
84.02084	0.3
85.02824	16.8
85.99973	0.9
86.03165	0.3
87.00747	5.1
87.04396	2.0
89.02319	20.6
95.01260	2.4
95.79234	0.2
97.02825	3.2
98.19768	0.6
99.00768	1.7
99.04411	0.6
101.02325	23.3
102.02626	0.4
103.03881	3.4
109.02859	1.4
111.00783	0.5
112.01563	0.3
113.02330	12.8
115.03910	2.1
119.03387	6.9
121.02862	0.7
123.04428	0.8
125.02349	4.2
127.03898	0.7
131.03403	3.2
137.02325	1.2
139.03851	0.2
143.03398	6.9
145.04979	1.1
149.02353	0.6
151.03839	0.5
161.02397	0.2
161.04469	1.3
161.05884	0.5
162.03096	0.2
163.06027	4.1
164.01059	0.4
165.01886	0.6
179.05594	0.6
203.07065	0.5
205.05190	0.5
205.07095	2.8
229.96025	0.3
245.08139	0.6
247.08197	0.8
247.29825	0.3
289.06937	3.8
290.07608	0.4
345.28598	0.3
371.83771	0.2
525.32269	0.5
591.35950	0.4
737.41211	20.9
738.41522	2.9
883.46985	100.0
884.47314	19.4
926.13800	0.3
943.43097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.6
69.58820	2.6
71.01257	26.6
72.99178	3.2
73.02820	5.9
75.11259	0.3
81.03315	0.7
83.01254	4.3
85.02821	13.6
85.99985	0.7
87.00748	4.0
87.04387	1.7
88.98656	0.4
89.02321	16.9
94.78876	0.4
95.01270	2.4
97.02850	3.0
98.19896	0.7
99.00758	1.6
101.02325	20.1
102.02676	0.4
103.03873	3.2
109.02800	0.5
111.00760	0.9
113.02335	11.3
115.03896	1.3
119.03384	6.1
125.02331	3.0
127.03917	0.7
131.03406	3.0
137.02347	0.6
143.03400	5.4
145.04982	1.0
161.04475	0.8
163.06010	3.6
163.88269	0.4
205.07161	2.3
218.40175	0.5
225.89389	0.4
247.08261	0.5
265.37054	0.4
289.09280	1.0
525.32452	0.5
591.35211	0.4
737.41187	19.5
738.41028	2.2
755.24359	0.4
883.46985	100.0
884.47278	18.3
884.64935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72219	68.2
75.00761	40.4
86.61864	23.4
92.72769	26.8
93.28243	24.9
101.02277	32.7
109.83979	24.1
132.37759	23.9
161.57230	28.8
223.13310	100.0
224.13701	37.7
225.14090	30.5
237.99425	34.0
254.63187	27.9
277.21667	69.0
278.21939	72.5
294.10779	30.3
321.04941	28.0
397.13492	37.4
398.13809	45.7
780.46967	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	2.4
71.01259	29.6
71.08281	4.9
72.01575	3.5
72.72012	2.1
72.99184	6.3
73.02818	11.3
82.39185	1.8
83.01259	5.3
85.02836	13.3
87.00751	4.2
89.02321	19.8
90.02685	2.6
93.03316	3.4
95.01255	2.7
95.17841	2.0
96.95888	2.9
97.02823	2.6
101.02321	23.1
102.02628	3.1
103.03859	2.3
109.02840	4.5
113.02340	9.9
119.03358	7.2
121.02802	2.2
123.04396	3.6
125.02326	17.3
131.03445	3.5
135.04314	2.7
137.02356	15.0
143.03372	5.0
149.06012	3.6
151.03944	4.7
163.06102	2.5
165.01823	7.4
167.03435	2.6
169.54988	2.3
178.02493	2.4
205.06981	2.3
211.13326	4.3
211.58139	2.2
246.26913	2.2
271.13513	2.7
289.07095	6.1
371.06790	2.5
428.36472	2.4
567.54138	2.8
674.84338	2.2
697.40326	2.6
738.41248	7.9
739.41498	12.9
740.41937	13.0
884.47253	7.3
885.47638	41.2
886.47797	100.0
887.49097	6.6
928.40155	4.4
942.62469	2.5
946.42145	10.9
947.40680	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	946.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	42.9
71.52688	5.6
72.99187	4.8
73.02797	7.2
83.01250	11.3
85.02827	23.4
85.61242	3.5
87.00756	9.7
87.04362	3.5
87.61103	3.5
89.02322	25.9
93.03358	5.5
93.21777	3.4
95.01252	5.7
97.02836	5.8
99.00737	3.4
101.02339	33.5
102.02629	6.2
103.03841	4.1
109.02820	13.4
113.02314	11.8
119.03340	9.7
121.02817	4.8
123.04395	9.0
125.02334	39.1
126.02670	4.1
131.03362	6.3
137.02368	17.9
140.38292	3.8
142.99794	4.2
143.03389	7.7
161.02319	6.3
163.06056	5.9
164.01073	6.7
165.01822	10.2
167.03368	6.3
175.03938	4.3
177.01833	8.0
190.78362	3.4
209.11790	7.0
211.13330	13.2
243.02965	3.8
285.04031	3.7
287.05688	5.2
289.07092	17.9
289.18027	4.6
304.05927	3.6
341.23322	5.7
534.19342	3.6
738.40790	5.0
739.41321	16.2
740.41583	13.9
884.47565	8.5
885.47571	54.3
886.47827	100.0
887.47266	8.7
946.41302	4.9
981.66791	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	947.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01758	3.0
71.01255	1.6
71.43854	2.7
81.03319	1.7
83.01256	4.3
83.04874	1.3
83.65234	1.3
85.02831	8.7
87.00760	2.5
93.03337	20.5
97.02826	3.4
103.66442	1.4
105.03325	1.9
107.04897	3.8
109.02843	18.5
111.04428	3.9
121.02869	6.8
122.03651	2.4
122.74355	1.5
123.04401	16.9
125.02340	86.9
126.02685	2.9
133.02847	4.5
135.04411	38.1
136.04770	2.3
137.02353	25.8
139.03891	3.4
149.02374	12.2
151.03931	20.6
155.03415	2.9
159.04382	2.2
161.02393	8.3
161.05997	4.0
163.00340	2.3
163.03937	2.4
164.01088	3.7
165.01860	4.6
167.03400	2.7
173.04475	54.9
174.04817	3.1
175.03914	13.4
177.01857	100.0
178.02231	4.0
179.03416	38.0
180.03806	2.2
185.06088	1.6
187.03905	9.7
188.04657	3.4
189.05478	2.0
191.05530	43.5
192.05952	2.3
195.03017	2.8
202.06366	1.8
203.03410	1.8
203.07089	7.2
205.05043	10.1
210.06435	1.8
211.03986	2.7
215.03488	2.1
221.08110	1.8
223.04567	2.7
227.07098	2.7
229.05011	5.8
231.02884	1.5
243.02940	3.9
244.03145	1.7
245.08156	16.0
255.02969	12.9
255.06433	1.9
256.03629	7.3
257.04456	2.9
261.03979	4.6
273.04025	9.5
281.04623	6.6
283.02371	3.0
285.03998	5.6
289.07172	56.5
290.07510	3.3
297.03995	1.8
303.05167	9.9
315.05084	3.6
315.08698	2.7
339.08740	9.3
353.08780	45.0
354.09140	3.5
369.08224	3.9
407.02261	3.4
407.07712	72.8
408.08051	8.8
425.08792	85.0
426.09186	8.8
441.08191	6.5
467.09744	9.6
577.13196	2.1
593.12964	49.8
594.12958	6.7
657.79773	1.7
753.53687	1.6
964.90375	1.8
977.34491	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40861	65.8
71.52503	68.6
71.52875	68.3
80.74877	53.6
83.90818	57.4
88.98716	69.6
96.95870	86.0
103.47030	64.0
127.84494	59.9
145.26707	58.7
211.13371	75.3
225.00911	65.3
277.21631	100.0
314.10727	63.8
588.98694	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	57.6
71.52911	22.8
71.53307	17.9
73.02818	19.5
88.98656	19.3
89.02325	44.0
101.02306	39.9
116.92752	19.2
119.03440	19.0
125.02290	41.1
135.35120	15.2
146.23509	15.0
153.41083	13.5
161.71375	15.7
209.11833	56.2
210.12129	18.0
213.87923	15.5
214.65123	15.5
221.04164	15.3
227.12964	16.9
255.23303	60.0
277.21683	31.4
293.21289	62.3
294.21490	21.6
397.13428	100.0
398.13763	37.2
415.14420	23.5
446.42398	17.7
687.51801	19.1
844.66681	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33034	4.6
69.90311	0.4
71.01254	13.1
71.57056	0.5
72.99176	0.9
73.02818	8.6
74.12186	0.5
78.60889	0.5
79.68320	0.5
83.01256	3.0
85.02815	5.0
87.00761	0.6
89.02325	2.8
95.01292	0.9
99.00800	1.4
101.02329	12.2
109.06448	0.6
113.02322	4.5
119.03371	1.0
121.06477	1.2
123.08030	1.6
125.02317	0.9
151.00247	0.8
159.02861	0.6
161.04488	2.9
173.04596	0.5
177.12741	2.7
195.13770	1.7
221.11752	4.5
243.02930	1.6
255.02979	3.3
271.02463	5.8
287.01788	0.8
300.02716	11.7
301.03494	5.1
316.73636	0.6
357.19064	1.3
401.18164	18.1
402.18167	1.3
443.19205	100.0
444.19571	10.0
463.08844	11.4
464.09222	1.2
479.08517	0.8
487.17917	0.8
487.30515	1.3
919.30206	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	1.0
71.00565	0.8
71.01257	13.6
72.01612	0.3
72.99196	1.3
73.02812	1.7
81.03363	0.6
83.01256	1.3
85.02824	2.9
85.03271	0.2
87.00748	3.7
89.02316	12.3
91.03915	0.2
93.03320	0.3
95.01295	1.0
97.02826	2.0
99.00784	0.9
101.02322	10.2
111.00768	0.6
111.04404	0.6
111.08087	0.3
113.02332	5.2
113.09618	0.3
119.02555	0.5
119.03375	3.3
121.10123	0.3
125.02335	5.3
127.03973	0.3
131.03470	0.5
139.03929	0.3
141.01807	0.6
143.03398	2.5
158.21510	0.2
161.04500	3.1
171.10149	1.4
179.05540	4.2
179.14389	0.7
183.13812	0.3
185.04529	0.3
195.13838	6.4
195.15584	0.5
196.14337	0.4
199.06151	0.3
205.12297	0.4
205.15952	0.5
211.13451	0.5
217.06978	0.4
221.06625	1.7
223.13365	4.5
224.13824	0.3
225.15034	0.3
228.13628	0.5
235.08177	4.7
241.21745	0.4
253.09245	0.7
256.13174	1.2
263.07642	0.4
265.21671	0.3
275.20145	7.1
276.20392	0.5
277.21722	38.2
278.22073	3.4
287.07751	1.9
293.21222	100.0
294.21539	8.3
305.08783	1.9
317.20935	0.5
323.09848	0.8
379.12509	3.5
397.13486	31.1
398.13766	2.1
415.14554	12.2
416.14810	0.7
481.89343	0.3
553.42401	0.3
673.33917	0.8
675.35699	1.0
691.34460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.8
69.03316	2.9
70.38381	0.6
70.81268	1.2
71.01254	45.5
71.25053	0.9
72.99187	7.9
73.02818	12.1
75.00756	0.9
78.95786	1.7
81.03337	2.3
83.01269	6.2
83.04902	1.1
85.02822	29.1
85.99951	1.6
87.00748	16.9
87.04383	2.1
89.02316	39.8
93.03344	0.8
95.01249	2.6
97.02824	5.6
99.00761	3.8
99.04375	1.4
101.02322	31.9
102.02624	1.1
103.03906	7.3
109.02869	3.6
113.02333	25.3
114.93253	1.6
115.03894	2.7
116.25871	0.7
116.92744	10.0
119.03394	13.3
123.04381	1.0
125.02328	8.6
127.03902	9.4
131.03389	5.4
131.05547	0.8
137.02303	1.9
143.03389	13.1
144.03766	0.7
145.04959	2.9
149.04410	0.9
161.04451	3.0
163.06049	11.6
167.03253	0.9
169.19519	0.7
173.04604	0.7
175.12204	0.8
176.60579	0.7
177.01857	1.0
179.05473	2.4
189.25186	0.7
196.03725	0.9
205.07123	5.2
233.06630	1.0
241.21709	8.3
242.22043	3.4
247.08224	2.0
371.08344	0.7
387.84259	0.8
411.15408	0.8
438.26270	5.3
439.26602	2.1
575.36255	1.4
650.06018	0.8
703.40540	2.3
721.41656	58.0
722.41858	11.9
763.42517	1.2
785.75922	0.8
831.45685	1.3
849.46497	20.3
850.47021	4.8
867.47449	100.0
868.47827	23.6
909.48529	12.6
910.48352	3.3
934.66083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	11.5
71.52681	6.3
73.02829	4.2
75.47456	3.5
83.04906	4.4
85.02826	5.0
87.00777	4.0
89.02309	14.7
95.51234	3.6
96.95870	6.2
99.00738	5.6
101.02297	12.9
104.80616	3.6
113.02345	8.2
114.93259	11.8
116.92741	72.6
125.02293	7.2
173.04497	4.0
182.64717	3.9
209.09888	7.1
209.11771	100.0
210.12129	7.1
227.12779	18.7
235.08224	5.1
277.21695	55.8
278.22162	8.3
379.12402	17.6
380.12396	4.4
397.13519	50.1
398.13553	4.3
415.14581	11.8
463.10367	4.1
481.53452	4.1
589.24774	9.2
607.25885	10.2
657.35730	6.9
675.35071	5.6
704.33679	4.2
740.54053	4.3
867.47430	5.4
953.48273	43.6
954.49823	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	955.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01763	0.5
69.03325	2.4
71.01255	56.6
71.04909	0.6
72.01598	0.7
72.99180	8.1
73.02820	14.4
75.00767	1.1
79.42502	0.5
81.03343	2.5
83.01259	7.6
83.04898	1.0
84.02063	0.6
85.02824	38.4
85.99994	1.9
87.00752	21.6
87.04390	2.3
89.02319	38.3
90.02666	0.6
93.03367	0.8
95.01270	4.7
97.02827	7.4
97.03401	0.6
98.19769	1.1
99.00771	3.5
99.04388	2.6
101.02325	37.1
102.02689	0.8
103.03891	9.4
104.68586	0.4
108.02086	0.5
109.02850	3.2
111.00780	1.0
112.01528	0.6
113.02331	26.3
114.02657	0.5
115.03918	2.7
119.03391	13.2
123.04414	1.0
125.02343	10.6
127.03900	10.4
127.04794	0.7
127.53445	0.4
128.04279	0.6
128.55768	0.5
131.03398	7.4
137.02386	1.6
139.00319	0.6
143.03409	15.5
144.03758	0.6
145.04984	5.5
149.04398	0.9
161.02406	0.8
161.04465	2.9
163.06032	17.3
163.07365	1.0
164.01123	0.7
171.24893	0.5
179.05602	2.9
185.04501	0.7
192.68678	0.5
205.07120	6.5
233.06677	1.8
247.08138	3.8
289.06662	0.6
289.09500	1.0
497.44037	0.5
506.34317	0.5
621.36389	1.4
663.36090	0.6
749.41852	3.7
767.42255	70.1
768.42511	14.8
809.43665	3.1
877.45172	0.8
895.46881	15.7
896.47412	4.7
913.47998	100.0
914.48370	28.4
955.49298	8.5
956.49243	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	958.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00770	63.2
75.00759	80.7
78.64725	27.6
80.30074	29.3
88.98678	100.0
89.02361	32.9
169.16611	25.9
170.95998	25.1
211.01169	28.1
266.82462	33.2
521.26123	27.9
636.53802	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	1.5
83.01279	1.6
95.01267	1.5
105.11909	1.2
107.01269	2.3
109.02839	4.7
109.99997	1.9
111.00761	3.0
115.66009	1.5
123.00749	3.9
125.02306	2.1
137.99532	1.5
139.00267	6.1
143.04947	1.9
149.02341	3.5
149.99446	3.4
151.00275	11.4
152.01074	1.9
153.01817	2.1
154.99774	2.7
155.10631	1.8
159.04544	1.7
161.02286	2.3
163.00264	2.5
164.00966	2.5
164.80577	1.4
165.98988	3.6
166.99750	4.5
170.02026	1.4
171.04475	1.7
173.02309	1.9
175.03928	2.8
177.99002	2.4
178.99779	13.6
187.03922	4.3
189.01909	2.0
194.99278	3.9
199.03935	1.8
202.02592	1.7
203.03403	5.3
215.03439	3.7
217.01414	2.4
227.03485	3.7
229.01370	2.7
229.28661	1.9
231.02963	4.2
232.03728	3.7
242.02174	2.3
243.03006	10.4
244.03246	2.0
245.04422	2.1
247.02304	1.9
255.03139	9.0
258.01660	2.6
259.02499	4.9
270.01688	2.3
271.02472	21.1
277.64996	1.8
284.03253	4.9
286.01019	3.2
287.01987	35.0
288.02545	5.6
289.03555	2.9
299.01846	5.9
300.02762	16.3
301.03461	11.7
303.01480	3.7
314.00705	1.8
315.01471	56.6
316.02100	17.0
317.03070	11.0
327.66602	1.6
332.01727	18.3
333.02405	5.8
430.84109	1.4
451.09192	2.4
455.74561	1.6
463.08768	21.7
464.09119	2.0
467.07715	1.6
477.06781	3.7
479.08365	39.6
479.15323	2.2
480.08807	2.7
494.06870	3.1
495.07776	100.0
496.08179	7.6
507.86844	1.5
582.89154	1.6
593.15192	8.0
832.49219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.1
69.24693	2.7
71.01257	25.7
72.99182	3.8
73.02818	7.2
75.00748	0.4
81.03316	0.7
83.01263	3.6
83.04861	0.4
85.02827	13.1
85.99960	0.7
87.00749	4.9
87.04391	1.6
89.02318	20.6
90.02615	0.4
95.01254	2.1
97.02847	2.4
99.00756	1.3
99.04372	0.7
101.02323	20.1
103.03887	4.5
109.02789	0.5
111.00737	0.5
113.02329	11.8
114.02657	0.3
115.03887	2.0
119.03397	6.9
125.02331	2.1
127.03885	0.8
131.03403	3.2
137.02332	0.3
137.34898	0.3
143.03394	6.7
143.04431	0.6
144.03738	0.4
145.04948	1.1
152.53412	0.3
161.04422	0.9
163.06038	4.2
179.05467	0.6
205.07153	3.2
247.08192	1.2
289.09326	0.8
541.31458	0.4
735.39398	0.4
753.40656	20.1
754.40802	2.9
843.43103	0.5
899.46466	100.0
900.46783	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	961.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.4
71.01257	16.4
71.75414	0.6
72.99169	1.5
73.02810	1.9
75.00719	0.6
81.03334	0.9
83.01254	2.0
85.02812	2.9
87.00758	3.6
89.02317	13.8
93.03339	0.6
94.70326	0.6
95.01279	1.1
96.95886	2.3
97.02819	2.5
99.00749	0.8
101.02323	13.2
109.02798	0.9
111.04386	0.8
113.02337	7.1
119.03400	3.8
125.02332	5.7
128.39954	0.6
137.02310	0.9
141.01730	0.8
143.03383	2.0
149.02478	0.6
161.04401	4.1
167.14354	0.6
170.16345	0.6
179.05559	3.6
183.13834	5.9
193.12280	1.1
195.48207	0.6
199.06036	0.9
211.13341	100.0
212.13669	4.0
217.07082	0.9
221.06580	1.3
235.08231	4.7
253.09311	0.6
254.17188	0.7
259.08301	0.8
277.21722	59.4
278.22113	5.6
287.07809	1.8
305.08786	1.8
323.09952	1.7
327.21805	1.0
379.12448	14.8
380.12955	1.6
397.13483	45.9
398.13669	3.4
415.14575	9.4
590.46484	0.6
591.26550	8.3
592.26862	1.1
609.27637	5.7
657.34973	3.6
675.35889	4.5
676.36182	0.8
869.49384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.4
71.00959	0.8
71.01254	15.2
72.99175	1.2
73.02824	2.1
81.03320	0.7
83.01258	1.6
83.04871	0.5
85.02827	4.2
87.00752	4.7
87.09163	0.3
89.02319	11.5
93.03338	0.4
95.01270	1.3
97.02834	2.0
99.00751	1.4
101.02324	10.2
102.47286	0.4
109.02827	0.5
111.04383	0.7
113.02332	7.3
119.03402	2.7
123.00829	0.4
125.02338	5.7
131.03435	0.5
134.11440	0.4
137.02330	0.4
139.03926	0.5
141.01645	2.6
143.03391	2.1
161.04465	3.7
167.03448	0.8
167.10670	0.4
167.14275	0.9
178.86186	0.3
179.05547	3.4
183.13850	6.3
193.12273	2.2
211.13339	100.0
212.13672	5.4
217.07068	0.9
221.06622	1.4
235.06053	0.6
235.08205	5.3
253.09232	0.7
253.14532	0.4
259.08179	1.0
277.21722	46.8
278.22079	3.6
287.07764	1.4
291.23367	0.5
305.08826	2.0
319.22705	0.4
323.09821	1.0
327.21622	1.2
379.12463	12.5
380.12845	0.8
397.13492	39.6
398.13806	2.9
415.14560	7.5
416.14682	0.4
533.62329	0.4
546.54901	0.5
591.26520	10.4
592.26813	1.4
609.27576	8.8
610.27826	1.4
637.55780	0.4
657.34802	1.6
658.35126	0.5
675.35474	2.7
869.48950	1.5
870.49701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.3
70.85621	2.6
70.85934	1.6
71.01251	32.0
72.01591	4.0
72.99153	5.7
73.01672	1.8
73.02823	8.7
83.01254	4.0
85.02818	18.0
86.03169	3.5
87.00758	8.5
87.04398	2.0
88.01102	1.3
89.01769	1.3
89.02316	20.5
91.02742	1.5
95.01302	1.6
97.02834	4.4
100.05640	1.1
101.02324	25.4
102.02654	3.5
103.02766	1.2
103.03860	5.5
109.02831	2.2
113.02316	11.5
114.02666	3.1
115.03809	1.1
119.03388	6.6
120.03691	1.5
125.02344	9.1
131.03383	3.9
135.04407	2.8
137.02383	1.8
143.03400	6.3
145.03793	1.3
145.05032	1.4
151.03932	1.4
163.06004	3.5
164.06311	1.5
177.01779	1.9
179.05612	1.5
191.05589	2.7
205.07097	3.3
246.95621	1.2
289.07053	2.6
331.17694	1.4
558.22955	1.5
565.24799	1.6
754.41064	5.9
755.41284	12.2
756.41797	11.9
900.46460	8.3
901.46997	38.6
902.47363	100.0
903.47919	9.6
962.44019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	26.6
71.52937	2.5
72.01587	4.6
72.99189	4.7
73.01676	1.9
73.02829	6.7
73.41762	1.5
79.44289	1.2
83.01260	2.9
85.02826	12.2
86.44501	1.9
87.00776	4.1
88.11568	1.3
89.02319	15.7
90.02679	2.3
95.01254	2.7
97.02803	2.7
97.38038	1.2
101.02328	20.6
102.02656	3.1
103.02807	2.1
103.03878	3.6
109.02891	1.4
113.02340	10.5
114.02685	3.0
119.03375	6.1
120.03741	2.0
125.02322	5.0
131.03334	2.4
137.02440	1.6
143.03383	4.8
144.03638	1.6
163.06099	2.4
173.04442	2.0
205.07109	2.0
250.08118	1.3
261.31683	1.5
274.01419	1.5
286.34943	1.5
306.07489	1.6
488.12231	1.4
617.20923	1.4
729.72607	1.5
753.40979	1.7
754.41003	5.7
755.41534	7.4
756.41547	11.7
900.46667	7.0
901.47089	29.4
902.47437	100.0
903.47925	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	962.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.2
71.01254	34.3
71.23602	1.9
71.23946	0.8
72.01582	4.2
72.99189	4.7
73.01672	1.8
73.02824	8.8
74.03189	0.9
81.03365	0.8
83.01270	4.4
85.02348	1.5
85.02831	19.9
86.03155	3.2
87.00765	6.8
87.03226	1.3
87.04388	0.9
89.02319	22.7
90.02650	3.3
91.02753	1.7
93.05131	0.9
95.01252	2.5
97.02833	3.4
99.00691	1.3
99.05539	0.9
101.02323	27.6
102.02663	4.8
103.02750	2.3
103.03851	5.0
109.02853	1.8
113.02332	13.4
114.02685	3.9
115.02771	1.4
115.03907	2.0
119.03389	7.9
120.03702	1.1
123.04393	0.8
125.02351	4.8
126.02672	1.0
131.03387	4.4
132.03697	0.9
137.02368	1.3
143.03419	8.0
143.04448	1.7
144.03714	1.9
149.02347	0.9
154.58704	0.8
161.02274	1.0
163.06044	5.6
164.06337	2.0
173.04483	0.9
179.05609	1.2
191.05521	1.4
205.07130	3.2
206.07266	1.2
207.07362	0.9
212.65782	0.9
245.08041	1.2
289.06699	0.8
306.07590	2.3
533.46198	1.0
611.52905	1.0
671.40070	1.7
753.39941	1.2
754.40753	6.1
755.41357	10.9
756.41553	15.1
899.47058	1.3
900.46936	8.8
901.47003	35.3
902.47345	100.0
903.48041	9.9
962.43829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	21.3
71.04906	2.1
71.53091	1.6
72.01585	2.3
72.99155	4.2
73.02807	6.5
81.03362	1.3
82.80099	1.7
83.01250	6.1
83.04894	6.0
84.01550	1.8
85.02823	13.1
86.03159	1.9
87.00737	3.1
87.04382	5.2
89.02321	15.6
90.02615	1.7
93.03318	2.5
95.01256	2.9
95.04937	1.8
97.02821	4.2
99.04408	2.4
101.02315	20.7
101.05946	1.3
102.02631	3.3
103.03885	2.5
103.94101	1.4
109.02782	3.5
113.02345	10.2
114.02667	2.3
119.03384	6.9
119.20292	1.5
123.04447	2.4
125.02345	10.5
126.02719	2.4
127.07519	4.9
131.03401	3.1
131.07069	8.2
132.07422	2.1
133.07503	1.7
137.02301	7.1
139.03914	3.1
143.03403	3.4
151.03859	1.6
157.08601	2.8
161.05843	1.5
163.06038	4.5
165.01839	5.0
179.03381	3.1
191.05429	1.9
203.07030	1.5
205.05089	1.7
205.07047	2.9
207.07700	1.7
209.11816	1.6
245.08147	2.5
247.08069	1.6
263.32941	1.5
289.07175	8.8
290.07428	2.1
381.68439	1.7
396.95621	1.6
597.31836	1.8
602.66248	1.8
743.37640	2.8
744.38269	4.4
754.41370	3.1
755.41095	6.3
756.41431	10.9
810.35327	2.2
822.51331	1.9
900.46667	6.9
901.46887	32.0
902.47369	100.0
903.47931	8.2
927.41754	1.6
962.41071	4.7
963.42163	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	962.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	2.9
71.01255	33.9
72.01582	4.7
72.99183	4.7
73.02821	9.5
77.70184	1.6
83.01266	6.9
85.02827	15.3
86.03141	3.7
87.00744	5.8
87.04376	1.5
89.02311	24.2
90.02660	4.1
93.76046	1.5
95.01270	2.9
97.02826	2.4
99.00761	2.0
101.02321	23.7
102.02664	5.5
103.03889	4.9
107.87968	1.4
109.02828	2.7
113.02325	11.7
114.02648	2.9
115.03906	1.6
119.03412	9.8
125.02325	6.4
131.03372	4.1
137.02324	3.6
143.03395	6.2
144.03763	1.7
163.06049	5.3
165.01912	1.9
173.04495	2.0
185.24747	1.5
203.07059	1.6
205.07091	2.7
229.53694	2.5
229.81227	1.4
247.08131	1.7
289.07144	4.5
489.05667	1.5
754.40552	5.2
755.41278	12.4
756.41638	12.7
900.46747	9.0
901.47144	32.6
902.47369	100.0
903.47644	9.7
962.41461	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	963.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	0.3
68.99693	0.5
69.03341	1.6
69.33244	2.5
71.01255	17.8
71.04873	0.3
72.99192	1.4
73.02822	2.1
75.00745	0.3
78.95766	2.2
81.03315	0.8
83.01258	2.0
83.04894	0.4
84.02076	0.3
84.46267	0.3
85.02829	10.0
87.00751	3.2
89.02322	14.8
95.01253	1.0
95.04886	0.4
96.96844	0.4
97.02831	3.6
97.06463	1.5
99.00769	1.0
99.04389	0.3
101.02321	11.9
109.02821	0.4
111.04390	0.6
113.02341	6.0
117.01820	0.3
119.03393	3.7
123.08021	0.3
125.02341	5.5
125.09604	0.8
127.11189	1.3
131.03395	0.4
133.04959	0.5
137.02353	0.7
137.09636	2.0
139.03963	0.5
141.01662	0.5
143.03412	1.9
145.04947	0.3
149.04427	0.3
152.99495	2.0
153.09100	0.5
155.10698	0.6
155.14339	0.3
161.04500	2.0
167.14305	0.4
169.04997	0.4
171.10179	21.4
172.10497	0.7
175.11212	0.3
177.12665	0.4
179.05556	2.9
183.13818	2.3
185.11700	0.7
193.12204	0.7
195.13855	0.3
197.11705	0.6
199.05922	0.4
201.11279	1.0
209.11768	1.1
211.13339	9.7
212.13632	0.6
217.07056	0.5
221.06639	1.2
221.11870	1.7
227.12746	0.4
229.14436	8.1
235.06084	0.4
235.08208	3.9
239.12914	1.1
247.20618	0.3
253.09308	0.8
255.23276	34.1
256.23657	2.5
263.07758	0.7
269.24747	0.3
287.04456	0.3
287.07526	1.4
291.19705	2.9
305.08926	1.4
309.20709	7.4
310.21298	0.5
323.09955	0.9
327.21762	100.0
328.22128	7.7
346.87021	0.3
369.22610	0.3
379.12378	0.9
380.12524	0.4
397.13510	53.3
398.13876	3.6
415.14581	16.5
416.14868	0.7
443.68167	0.3
492.58255	0.3
565.44885	2.1
579.12311	0.3
653.37708	5.8
654.37939	0.9
707.34949	5.6
708.35016	1.0
725.36139	2.3
825.42029	0.8
963.42474	1.8
963.59985	0.9
964.44897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	33.8
71.23099	10.8
78.95783	8.4
85.02814	7.1
89.02318	19.4
95.41151	5.7
96.43552	6.2
99.11951	6.0
101.02325	20.9
103.96432	6.2
113.02324	11.6
125.02332	14.0
125.56693	6.8
149.73375	5.4
152.99486	9.5
161.04474	7.0
179.05540	10.2
202.13194	6.2
211.13322	100.0
212.13690	55.2
213.13861	18.5
229.86099	7.5
277.21790	55.8
278.22043	26.6
279.22372	19.1
289.18207	11.1
307.19080	12.4
327.21768	12.9
370.70242	6.5
397.13416	26.9
398.13693	20.5
399.13873	24.3
406.87158	6.7
415.14438	7.0
611.26727	8.6
656.31793	7.2
964.44446	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	964.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	34.8
71.51980	16.7
72.99220	13.3
73.02831	19.9
78.95762	16.1
81.03341	14.6
89.02325	31.1
101.02346	22.9
102.90900	10.5
106.57082	10.6
113.02315	18.2
125.02341	20.2
134.31889	13.4
141.01631	14.6
152.99529	11.9
161.98914	11.9
163.16144	12.2
171.10182	26.7
189.46405	9.9
211.13367	100.0
212.13693	57.5
213.13835	11.0
264.71631	12.6
277.21741	76.6
278.22061	41.6
289.18106	19.6
389.77274	11.9
397.13324	67.2
398.13605	29.1
399.13657	21.8
415.14371	16.0
418.42294	14.3
583.65527	13.6
691.16302	14.3
947.51276	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
73.31410	0.2
82.06947	0.2
107.01233	0.9
108.02055	1.3
121.02836	0.3
124.01526	0.2
128.04567	0.2
135.00790	0.5
148.01588	1.1
148.02614	0.2
151.00266	3.2
163.00307	0.5
164.01039	0.6
169.01297	0.2
174.35442	0.2
178.99782	2.4
199.03986	0.5
201.01939	0.2
203.03465	0.2
204.90964	0.2
211.03864	0.4
215.03412	0.5
216.04254	0.5
226.02678	1.3
227.03450	1.4
228.03870	0.3
229.01559	0.2
243.02959	8.4
244.03514	0.6
254.02222	1.8
255.02969	20.5
256.03305	1.2
271.02475	46.9
272.02951	4.2
273.03802	0.4
283.02371	0.2
299.01978	1.6
300.02740	100.0
301.03229	10.3
302.03891	0.2
525.89288	0.2
577.41937	0.2
609.14606	85.2
610.14960	13.2
635.94550	0.2
668.94806	0.2
737.61377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	0.5
69.03313	1.2
71.01254	14.5
71.32388	0.9
72.99187	1.1
73.02824	2.3
81.03333	0.7
81.50309	0.6
83.01253	2.3
83.04922	0.7
85.02831	4.2
87.00744	3.4
89.02312	13.5
90.64968	0.5
93.03355	0.7
95.01275	1.4
95.04896	1.0
97.02828	1.9
99.00750	0.7
101.02324	10.2
105.85979	0.5
111.08034	8.1
113.02334	7.1
113.09608	1.1
119.03376	3.0
125.02328	4.1
133.01390	0.5
136.55084	0.5
141.01694	1.2
143.03403	3.0
150.78862	0.5
161.04474	2.8
167.10660	2.1
177.12753	1.9
179.05530	5.0
179.10733	2.2
179.14255	1.0
185.06091	0.5
195.13838	13.2
196.14136	1.1
205.15947	0.7
211.13301	0.9
221.06583	1.4
223.13379	5.4
225.14850	0.6
228.13599	0.9
235.08217	2.9
247.20688	2.2
255.23517	0.6
256.13242	0.9
273.18607	0.9
275.20181	5.0
287.07767	0.8
291.19653	87.4
292.20007	8.2
293.21222	100.0
294.21545	8.9
305.08817	1.1
323.09604	1.1
379.12399	1.9
397.13507	32.6
398.13943	2.7
415.14587	12.1
416.14996	1.0
567.41162	0.6
617.65869	0.5
671.32990	3.1
672.33154	0.7
673.34290	1.8
689.34088	7.1
690.34467	1.5
691.35291	2.0
965.53394	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	965.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.2
71.01252	15.7
71.04887	1.2
72.99196	1.4
73.02822	2.1
75.00748	0.6
78.95776	1.8
80.02543	0.4
81.03319	1.3
83.01252	2.3
83.04900	1.1
85.02828	4.0
87.00752	3.3
89.02317	15.5
90.02627	0.3
95.01253	1.4
95.04896	1.3
97.02836	2.1
97.06434	0.3
98.03615	0.5
98.19839	0.7
98.29842	0.3
99.00737	0.7
101.02326	12.3
102.02647	0.4
106.04112	0.4
106.76170	0.3
107.04915	0.5
108.02023	0.3
109.02806	0.6
109.06480	7.6
111.04402	2.7
111.08037	0.9
113.02332	7.3
115.79861	0.3
119.03396	4.5
121.02855	0.4
121.06476	0.6
122.09592	0.3
123.04391	0.7
123.08024	1.6
125.02348	5.4
125.09570	0.4
127.03896	0.4
127.07529	1.3
131.03395	0.5
133.05014	0.3
133.06470	0.3
135.08070	0.5
137.02373	0.5
137.06012	0.4
137.09579	0.7
141.01776	0.3
143.03403	2.7
143.10674	1.0
145.06496	1.7
145.80316	0.3
149.04445	0.5
149.09628	1.2
151.11163	0.7
152.99480	1.2
161.04483	4.0
163.03905	0.3
163.11195	0.8
167.03320	0.5
167.10651	1.4
177.12759	0.4
179.05531	5.3
179.10648	0.8
181.12233	0.6
185.04483	0.3
187.18764	0.3
191.14371	0.6
195.13863	2.1
207.17499	0.4
215.14256	0.5
221.06566	2.3
235.08177	4.4
235.13300	0.9
245.06529	0.4
245.19060	4.5
247.17052	0.5
251.16638	0.5
253.09283	0.9
263.07730	0.3
268.65128	0.3
271.17044	0.9
273.15033	0.4
277.21722	46.1
278.22046	4.1
287.07690	1.4
287.16461	1.8
289.18094	100.0
290.18430	8.6
305.08777	1.8
307.19150	5.7
323.09741	0.9
331.19144	0.7
379.12451	4.7
380.12921	0.4
397.13492	37.1
398.13882	2.4
415.14505	10.3
416.14810	0.9
493.24457	0.4
590.70142	0.4
669.31482	1.7
675.35461	0.6
687.32080	2.5
688.32538	0.5
724.55975	0.3
827.42792	0.4
965.46027	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	8.6
71.01257	78.3
71.51768	2.4
71.52164	2.5
72.01604	2.3
72.99172	13.0
73.02822	21.2
75.00777	3.1
78.95749	2.1
81.01694	1.7
81.03346	5.8
83.01267	13.2
85.02826	51.6
85.53040	1.7
85.99969	3.6
87.00751	33.4
87.04390	3.2
89.02320	50.2
95.01262	6.3
96.95889	5.0
97.02823	11.1
99.00783	2.8
99.04398	2.7
100.41791	1.9
101.02326	58.0
103.03913	13.9
109.02856	7.1
111.00766	3.5
113.02338	34.5
115.03918	3.7
119.03394	20.7
119.04755	2.2
121.02896	2.1
123.04459	3.1
124.01605	2.5
125.02342	26.6
127.03914	16.3
131.03403	8.1
137.02350	4.2
138.64760	2.0
143.03394	18.7
145.04985	8.1
149.67464	1.9
151.03860	2.6
161.04512	4.5
163.06041	24.6
179.05467	2.1
205.07143	9.1
209.04514	2.4
220.14670	3.3
221.15428	12.6
233.06625	4.5
236.10544	8.2
245.33057	2.2
247.08125	3.4
293.17676	6.6
577.73425	1.9
712.85138	2.1
719.40302	3.7
720.39801	2.2
735.39722	56.0
736.40149	12.9
737.41522	14.1
777.40515	4.3
779.42145	22.6
780.42938	4.5
863.44312	19.5
864.44495	5.9
865.45953	22.2
866.46655	4.3
881.45422	100.0
882.45557	28.3
883.46771	14.9
884.46722	3.6
907.47247	8.3
908.46936	3.7
923.46082	19.1
924.47058	5.7
925.47864	43.7
926.48364	11.1
967.48279	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.491
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.8
68.99693	1.0
69.03328	8.1
70.42537	1.0
71.01253	84.2
71.04878	1.0
72.01595	0.9
72.58949	0.3
72.99183	12.2
73.02819	27.2
74.03156	0.5
75.00741	1.9
78.91777	0.4
79.01799	0.3
81.03332	6.8
83.01256	10.3
83.04897	1.8
84.02030	0.5
84.37205	0.3
85.02823	56.0
85.99960	3.0
86.03168	1.0
87.00751	39.8
87.04387	4.2
88.01095	0.5
89.02316	51.5
90.02671	0.7
93.03323	0.8
95.01263	7.1
95.04901	0.5
96.95895	0.3
97.02829	15.9
98.03184	0.4
99.00761	5.1
99.04401	3.9
100.01550	0.3
101.02324	63.3
101.05971	0.7
102.02633	1.2
103.03890	18.1
104.04237	0.4
107.01295	0.6
108.02038	1.1
109.02831	7.8
111.00754	1.9
111.04422	1.5
112.01522	0.5
113.02332	27.7
113.05945	0.3
114.02646	0.4
115.03906	4.5
119.03390	19.9
121.02805	0.4
123.00761	1.1
123.04407	1.2
124.01558	5.6
125.02338	44.0
126.02682	1.1
127.03905	18.4
131.03404	8.7
133.04912	0.4
135.04401	0.7
137.02318	1.3
137.05968	0.4
139.00259	0.4
139.03911	0.4
141.01909	0.4
142.02553	0.3
143.03400	16.8
144.03722	0.5
145.04965	9.7
149.02364	0.4
149.04462	1.0
151.03911	0.7
155.03368	1.0
159.02863	0.4
161.04475	3.3
163.06032	34.8
164.06343	0.8
165.01840	0.4
165.05455	0.6
167.03404	1.2
179.05508	2.5
185.04469	3.2
187.06029	0.3
203.05508	0.5
205.07115	8.8
207.06717	0.6
217.04991	0.4
219.08649	0.5
227.05629	0.5
229.07234	0.8
233.06630	5.9
247.08209	3.6
253.07283	0.3
259.08328	0.4
265.09241	0.5
271.08185	0.9
289.09253	1.3
307.10114	0.7
309.11911	0.3
313.09299	0.4
331.10468	0.8
368.96173	0.3
429.30054	1.8
432.62741	0.3
473.29114	0.5
525.32220	0.9
537.32520	1.6
555.33154	0.6
573.34430	2.4
591.35327	1.6
633.36444	0.8
639.35272	0.4
701.39026	1.2
719.40027	9.5
720.40356	2.3
737.41162	42.0
738.41473	8.0
761.41302	3.7
762.41650	0.9
779.42212	55.1
780.42554	11.7
821.43170	1.0
829.43182	0.5
847.44684	6.3
848.45239	1.8
865.45837	43.4
866.46185	9.8
883.46973	37.5
884.47168	8.4
884.64716	0.5
889.46466	0.7
907.46991	22.0
908.47296	6.0
925.48029	100.0
926.48352	26.9
967.49231	3.6
968.49121	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	0.8
68.99691	1.3
69.03324	8.2
70.35793	1.0
71.01254	92.3
71.04881	1.4
72.01579	1.3
72.99181	11.7
73.02819	31.1
74.03159	0.4
74.36320	0.2
75.00748	1.9
79.01772	0.3
81.03329	6.7
83.01256	11.6
83.04915	1.8
84.02040	0.7
85.02824	60.1
85.99967	4.1
86.03168	1.0
87.00751	39.6
87.04395	4.1
88.01096	0.8
89.02316	57.4
90.02666	0.7
93.03333	0.8
95.01266	6.7
95.04915	0.3
97.02829	17.3
99.00748	5.1
99.04395	4.4
100.01587	0.4
101.02324	67.9
101.05963	0.7
102.02675	1.0
103.03887	20.8
107.01253	0.4
108.02036	0.7
109.02837	7.8
111.00761	1.6
111.04421	1.2
112.01545	0.9
113.02331	33.8
114.02628	0.4
115.03892	5.6
116.04269	0.3
119.03393	21.2
120.03704	0.4
121.02824	0.6
123.00761	1.1
123.04408	0.9
124.01559	6.3
125.02338	48.3
126.02670	0.9
127.03904	21.8
131.03395	10.2
132.03662	0.3
133.04968	0.6
135.04393	0.6
137.02327	1.3
137.05965	0.3
139.03922	1.1
141.01796	0.5
142.02658	0.3
143.03401	19.2
144.03682	0.4
145.03819	0.5
145.04976	9.7
149.02414	0.5
149.04462	1.2
151.03957	0.7
155.03337	1.4
161.04459	3.7
163.06030	38.8
164.06305	0.8
165.05486	1.1
167.03381	1.2
179.03403	0.3
179.04196	0.2
179.05566	2.2
185.04497	3.4
187.05995	0.4
189.05548	0.4
193.04900	0.4
203.05495	1.0
205.07111	10.9
205.09039	0.6
206.07489	0.3
217.04962	0.3
219.08638	0.4
223.08177	0.4
225.07614	0.4
227.05646	0.6
229.07112	1.0
233.06631	7.6
234.06934	0.3
235.06018	0.5
247.08206	4.7
253.07227	0.5
259.08163	0.3
265.09210	0.4
271.08224	1.2
273.55222	0.3
289.09351	1.9
307.10391	0.5
309.12198	0.3
313.08920	0.4
331.10303	1.0
401.27853	0.3
427.28342	0.5
428.64206	0.3
429.30191	1.6
459.15173	0.3
473.28754	0.3
525.31799	0.7
537.32214	1.3
555.33099	0.7
573.34222	2.5
574.34149	0.3
591.35303	1.7
592.35352	0.4
597.33966	0.3
614.66473	0.3
633.36371	1.0
701.38544	1.4
719.40057	11.9
720.40601	2.3
735.38843	0.5
737.41168	42.0
738.41498	8.1
761.41388	4.0
762.41510	0.6
777.39508	0.3
779.42194	59.3
780.42462	11.6
821.43396	1.0
847.44952	7.1
848.44989	1.5
863.44598	0.6
865.45844	44.4
866.46216	9.0
871.44800	0.4
881.45020	1.1
883.46960	39.3
884.47076	7.8
889.45776	1.3
907.46954	22.0
908.47351	5.2
923.46106	0.9
925.47986	100.0
926.48291	23.3
967.49231	3.2
968.48492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	0.2
69.03325	0.6
70.26535	0.5
71.01254	8.4
72.01566	0.2
72.99186	0.7
73.02821	1.2
75.00766	0.1
81.03333	0.4
83.01262	0.8
83.04901	0.1
83.71735	0.1
85.02823	2.0
87.00746	2.0
89.02320	6.1
93.03356	0.1
95.01266	0.6
95.04900	0.3
96.95920	0.1
97.02832	1.3
99.00765	0.6
101.02324	5.4
111.00743	0.4
111.04411	0.2
111.08055	0.3
112.78843	0.1
113.02333	3.2
113.09562	0.3
119.03387	1.8
125.02335	1.9
127.03980	0.2
131.03426	0.2
137.02347	0.2
139.03862	0.3
143.03384	0.8
145.04994	0.2
161.04468	1.6
167.10728	0.3
171.10168	0.3
177.12828	0.2
177.16370	0.2
179.05533	2.1
179.10683	0.2
179.14278	0.9
181.12170	0.2
185.04514	0.2
195.13840	8.1
196.14420	0.7
202.10201	0.2
205.12251	0.7
205.16006	0.4
211.13356	0.5
211.63612	0.1
221.06555	0.8
223.13350	5.5
224.13701	0.3
225.14912	0.5
228.13602	0.7
231.21184	0.4
235.08194	1.9
239.12953	0.2
245.06535	0.2
249.22169	0.3
253.09258	0.5
256.13165	1.4
263.07657	0.3
265.21707	0.4
275.20132	5.0
276.20590	0.4
287.07681	0.4
293.21219	100.0
294.21561	7.8
305.08804	0.7
309.20847	0.3
317.21204	0.4
323.09753	0.3
379.12357	0.9
397.13492	14.5
398.13889	1.0
415.14560	9.8
416.14905	0.8
472.29044	0.1
569.42114	1.2
636.26807	0.3
654.27466	0.4
673.34344	0.9
674.34619	0.2
691.35327	2.2
692.35767	0.3
897.47516	0.1
973.55298	0.2
976.89215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.9
70.85068	0.8
71.01255	21.4
72.99181	2.3
73.02805	3.2
75.00738	0.3
81.03329	0.8
83.01255	2.4
83.04891	0.7
85.02829	5.3
87.00746	5.8
87.04365	0.4
89.02316	19.1
93.03296	0.5
95.01263	1.6
95.04898	0.4
97.02823	4.5
97.06492	0.7
99.00758	1.0
101.02323	15.3
105.37519	0.3
109.02843	0.9
109.06441	0.5
111.00740	0.6
111.04391	0.6
111.08031	7.8
113.02339	8.7
115.03827	0.5
119.03387	5.1
121.02842	0.5
123.04395	0.4
125.02332	6.9
125.09618	0.4
127.07520	0.7
131.03383	0.8
132.30371	0.4
137.09604	0.6
139.03902	0.7
143.03400	3.4
149.04439	0.5
151.11214	0.8
153.09103	0.7
153.12730	1.2
159.84669	0.3
161.04468	4.9
163.11154	0.6
165.12721	0.9
167.03459	0.4
169.12263	4.0
171.10193	1.6
179.05540	5.3
181.12219	1.7
183.13831	1.0
193.12216	0.3
193.15909	0.4
195.13887	0.6
197.11761	39.9
198.12103	1.3
199.13280	2.3
207.13882	0.5
209.15375	1.4
211.13332	6.0
217.07164	0.5
221.06567	1.8
221.11784	0.4
221.15335	0.4
223.16937	1.1
225.14938	1.9
227.12833	1.4
229.19612	0.5
233.15399	0.5
235.08189	6.3
246.58069	0.3
247.20590	1.4
247.61218	0.4
249.14923	0.4
251.16396	2.3
253.09259	1.4
263.07651	0.6
263.20157	2.6
265.18115	1.1
266.32062	0.3
273.18628	1.3
277.21722	50.3
278.22079	3.4
287.07776	1.9
291.19681	22.9
292.20004	1.4
305.08878	2.9
309.20712	100.0
310.21121	7.3
314.91052	0.3
323.09781	1.4
327.62631	0.4
333.20657	0.9
351.21786	0.4
361.11224	0.5
379.12573	3.6
384.08356	0.4
397.13495	46.1
398.13803	2.3
415.09024	0.8
415.14584	16.6
416.14871	0.8
543.09406	0.3
569.42444	0.4
675.35895	0.9
689.33575	2.0
707.35034	1.8
917.09113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	0.3
69.03323	2.1
71.01255	17.2
71.04897	0.4
72.99194	1.5
73.02820	2.3
75.00748	0.6
81.03319	0.9
83.01233	1.8
83.04894	0.7
84.02036	0.4
85.02816	3.9
85.06459	0.4
87.00747	4.2
89.01756	0.7
89.02318	13.6
95.01273	1.2
95.04898	0.4
97.02831	5.1
99.00784	0.5
101.02324	12.2
102.69725	0.4
109.06469	1.1
109.62847	0.3
109.84745	0.3
111.04421	0.6
111.08029	5.4
113.02331	6.4
115.28086	0.3
116.92738	0.5
119.03398	3.6
123.00797	0.4
125.02338	5.1
127.07542	1.0
131.03362	0.9
132.79752	0.3
133.05020	0.5
137.02336	0.5
137.09630	0.8
139.03882	0.4
141.01878	0.4
143.03409	3.1
149.04425	0.5
153.09033	0.4
153.12773	0.5
161.04462	3.3
163.11171	0.7
165.12762	1.1
167.10670	0.4
169.12247	1.9
171.10161	3.1
179.05522	5.0
179.10706	0.5
179.14235	0.3
181.12193	1.5
183.13776	1.5
185.11774	0.4
193.12239	0.7
193.15845	0.4
195.13846	2.2
197.11768	21.8
198.12076	0.9
199.13350	1.3
207.17599	0.4
209.11743	0.7
211.13354	4.7
217.07121	0.7
221.06682	2.6
221.11671	0.5
221.15436	1.2
223.13367	0.9
227.12874	0.9
233.15428	1.1
235.08183	4.9
236.08479	0.3
239.12930	0.5
239.16422	0.4
247.20674	1.3
251.16551	1.7
253.09253	0.9
263.20074	1.9
265.18042	0.8
273.18610	1.7
277.21719	41.5
278.22083	2.6
287.07629	1.7
291.19672	23.7
292.19965	1.4
305.08667	1.9
309.20703	100.0
310.21063	7.4
319.63419	0.3
323.09854	0.9
327.21689	0.8
328.22272	0.7
333.20667	0.6
351.21744	0.4
379.12433	3.4
397.13486	33.1
398.13858	2.2
399.14194	0.5
415.14575	14.5
416.14871	1.1
569.42310	0.5
675.36121	0.8
689.34149	2.1
704.97546	0.3
707.35358	2.1
958.30444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	1.5
71.00861	0.8
71.01252	16.4
71.04887	0.4
72.99174	1.5
73.02813	2.8
81.03326	1.2
83.01247	1.7
83.04890	0.9
85.02837	4.0
85.06461	0.7
87.00735	3.6
87.04377	0.5
89.02319	12.7
95.01256	1.5
95.04918	0.3
97.02145	0.5
97.02821	5.8
97.06458	1.0
99.00745	0.7
101.02327	13.2
109.06454	1.3
111.04395	1.1
111.08031	2.7
113.02329	7.1
119.03394	3.7
123.04397	0.4
125.01453	0.5
125.02337	5.7
125.09592	0.5
127.07559	0.4
127.53059	0.4
131.03424	0.8
137.09579	1.4
143.03400	2.5
161.04453	3.3
165.12683	0.8
167.10742	0.4
169.12221	0.9
171.10187	2.9
179.05586	3.2
179.14372	1.0
181.12224	0.5
188.98711	0.4
195.13835	4.6
197.11755	7.7
211.13319	2.2
215.88275	0.3
217.07080	0.6
221.06592	1.2
221.15446	3.2
222.15788	0.4
223.13396	2.3
227.17824	0.4
229.53104	0.4
233.15411	1.0
235.08224	5.0
235.17239	0.5
239.12816	0.4
239.16489	0.8
245.06711	0.4
247.20644	0.9
251.16461	1.2
253.09174	1.1
263.07739	0.8
263.20102	0.8
273.18564	1.0
277.21725	44.1
278.22147	3.4
279.10593	0.4
287.07813	1.5
291.19672	21.0
292.20135	1.1
305.08835	2.0
309.20703	100.0
310.21051	6.5
323.09851	1.5
333.20554	0.6
360.33008	0.4
379.12469	2.8
380.12631	0.4
397.13495	49.6
398.13904	2.8
415.14536	15.6
416.14792	0.8
601.08722	0.4
610.81482	0.5
675.36053	1.7
689.34186	1.5
707.35205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01228	1.5
71.52155	0.7
73.02808	0.4
77.76310	0.4
85.02815	0.9
89.02295	0.6
99.04397	7.2
101.02306	2.3
107.01238	0.4
108.02012	0.5
109.02798	0.4
113.02316	1.2
124.01523	0.6
124.82865	0.4
125.02322	3.2
125.86607	0.5
135.04338	0.6
149.02283	0.4
151.00284	1.3
161.04420	0.6
163.68466	0.4
165.01819	0.5
173.04520	0.6
179.05580	0.6
226.02623	0.7
227.03401	1.1
243.02951	4.8
244.03366	0.8
254.02176	1.4
255.02959	13.1
256.03290	1.0
271.02472	31.2
272.02914	2.7
299.01993	2.2
300.02747	81.4
301.03091	6.7
303.14462	1.0
314.04147	0.8
315.05103	100.0
316.05457	8.3
356.66959	0.4
361.22339	0.7
373.18747	0.7
389.25266	0.6
405.17676	2.5
417.44159	0.4
433.29810	0.5
477.09952	0.8
519.11487	6.7
520.11829	1.1
962.36395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	6.0
71.01255	58.1
72.99184	6.9
73.02818	23.1
75.00750	1.2
81.03324	2.5
83.01250	7.7
83.33884	0.6
85.02824	37.6
85.99968	2.1
87.00751	20.0
87.04407	3.7
89.02318	41.8
95.01276	5.3
97.02827	12.7
99.00764	2.8
99.04396	1.8
101.02325	48.5
102.02676	0.7
103.03881	15.4
104.40997	0.8
109.02844	2.1
111.00748	1.3
113.02332	24.3
115.03900	5.0
119.03393	14.2
123.00768	1.2
124.01599	5.6
125.02339	37.1
125.37415	0.7
126.02631	0.8
127.03919	4.1
131.03424	6.6
137.02306	1.0
143.03418	11.4
145.04964	4.3
155.03444	0.8
161.04468	1.9
163.06041	21.8
176.02605	0.7
179.05490	1.5
199.32726	0.7
205.07127	8.9
233.06627	2.0
247.08107	4.1
255.58986	0.8
289.09598	1.5
310.54657	0.7
573.34326	3.1
591.35236	0.7
719.39935	9.2
720.40405	2.5
737.41107	24.1
738.41602	5.6
779.42157	24.6
780.42621	7.5
827.45618	0.8
865.45837	45.6
866.46246	11.9
883.47003	66.0
884.47327	16.6
925.48035	100.0
926.48309	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4698
Annotation	Anguivioside B
Peak:m/z	Relative Intensity
67.18891	1.3
69.03336	4.0
71.01251	66.6
71.04922	1.1
72.99177	9.3
73.02812	26.6
75.46831	1.0
81.03337	2.2
83.01269	9.5
85.02821	42.0
85.99973	2.2
87.00753	27.2
87.04398	3.3
89.01764	3.0
89.02318	49.3
95.01264	6.6
97.02826	12.1
99.00795	2.9
101.02325	53.3
103.03903	20.0
105.59690	1.2
109.02811	1.7
111.00752	1.6
113.02333	28.6
115.03885	5.7
119.03377	16.9
124.01559	3.8
125.02336	31.3
127.03914	7.4
131.03400	8.1
137.02249	1.4
143.03389	14.9
145.04990	4.9
161.04456	2.8
163.06020	22.4
176.26118	1.2
205.07065	9.6
229.80374	1.5
233.06607	3.0
247.08447	2.5
289.09372	2.2
429.30307	1.4
528.84717	1.3
537.32922	1.6
573.35443	1.6
719.40033	9.2
720.40479	2.4
737.41125	50.6
738.41516	9.0
779.42230	23.8
780.42786	3.5
865.45880	45.4
866.46411	12.7
878.96222	1.5
883.46918	100.0
884.47424	22.0
925.48047	77.5
925.67255	1.9
926.48267	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	969.47
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01786	1.1
68.99676	1.0
69.03333	4.9
70.53922	2.2
70.54246	0.7
71.01253	68.2
72.99189	9.1
73.02821	27.0
75.00749	2.0
81.03328	2.4
83.01263	9.0
85.02824	42.3
85.99966	3.0
87.00750	23.8
87.04379	3.4
89.02320	52.3
95.01256	6.4
97.02835	10.9
98.03251	0.9
99.00749	3.0
99.04394	1.7
101.02322	60.2
102.02651	0.8
103.03895	18.3
109.02845	1.7
111.00740	2.0
113.02335	31.6
113.79025	0.8
114.02650	1.7
115.03917	6.2
119.03390	16.1
121.68607	0.8
124.01565	4.8
125.02338	36.9
125.03257	1.9
127.03918	6.7
131.03406	8.2
141.36304	0.9
143.03406	16.4
145.04968	6.5
149.04462	0.9
161.04443	2.0
163.06036	23.7
174.37907	0.8
179.05502	2.0
205.07103	9.3
233.06502	4.0
247.08199	4.2
271.08252	0.9
289.09262	2.1
307.10284	1.1
421.67838	0.8
471.08911	1.0
537.32190	1.2
573.34070	3.1
591.35553	1.9
719.39935	10.9
720.40454	2.4
737.41150	40.4
738.41699	9.6
779.42212	27.8
780.42657	7.1
865.45825	54.8
866.46155	14.3
883.46991	93.1
884.47296	22.3
884.64667	1.3
925.48004	100.0
926.48486	28.2
928.60089	0.9
963.62103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	4.2
69.80938	1.3
69.81344	2.3
71.01254	47.3
72.99173	6.6
73.02818	20.6
75.00742	2.2
81.03328	1.3
83.01255	6.9
83.04891	0.6
85.02824	29.0
85.99974	1.9
87.00754	15.6
87.04398	3.5
89.02315	32.4
93.99750	0.6
95.01267	4.7
97.02827	8.6
99.00757	2.5
101.02324	38.9
102.02663	0.7
103.03889	14.9
104.76758	0.6
109.02884	0.7
111.00753	1.0
113.02337	17.8
115.03874	3.1
119.03393	12.3
124.01547	4.5
125.02334	29.4
127.03918	3.6
131.03391	6.1
143.03400	9.0
143.80055	0.6
145.04967	4.5
161.04466	2.0
163.06029	17.4
179.05528	1.4
205.07063	5.2
233.06677	2.0
238.01289	0.6
238.88617	0.5
247.08253	2.9
284.93570	0.6
289.09271	1.0
525.32599	0.7
537.32092	1.0
573.34204	2.5
656.71124	0.6
719.40106	9.5
720.40381	1.6
737.41095	24.2
738.41412	4.2
779.42133	24.2
780.42505	5.0
865.32990	0.8
865.45819	44.7
866.46283	8.6
883.47015	57.1
884.47168	13.8
925.48016	100.0
926.48297	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.2
70.85095	1.8
71.01254	39.8
72.01570	0.8
72.99183	5.2
73.02818	8.7
75.00771	1.0
81.03327	2.1
83.01253	4.5
85.02826	25.3
86.03164	0.7
87.00748	14.0
87.04366	2.0
89.02315	29.3
95.01258	3.9
97.02840	4.7
99.00755	2.5
99.04389	1.5
101.02323	25.5
103.03888	6.8
108.02098	0.6
109.02837	2.2
111.00780	1.0
113.02328	19.8
115.03895	2.3
116.92751	5.5
117.01846	0.9
119.03392	11.2
125.02322	7.0
127.03893	7.1
131.03371	4.5
137.02251	0.7
139.03931	0.8
143.03400	10.1
143.20012	0.6
143.24744	0.8
145.04948	1.7
161.04503	1.6
163.06049	7.6
167.03439	1.3
173.04378	0.7
179.05560	0.8
191.05571	0.9
205.07104	3.7
233.06630	1.4
247.08228	1.5
248.06174	0.8
289.09503	0.8
291.19830	0.8
292.66110	0.7
357.65161	0.7
447.41699	0.7
476.51297	0.7
499.59402	0.7
575.36115	1.1
581.99579	0.8
593.02844	0.7
703.41016	1.9
721.41681	50.6
722.42133	10.5
763.42773	2.0
849.46423	22.3
850.46625	5.6
867.47473	100.0
868.47748	27.3
909.48541	26.7
909.67139	1.1
910.48285	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	973.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	0.9
70.90225	0.6
71.01253	26.8
72.01550	0.3
72.99178	4.0
73.02818	7.1
75.00744	0.6
81.03336	0.7
83.01263	3.6
83.04903	0.3
85.02824	12.8
85.99965	0.8
86.03098	0.3
87.00746	5.1
87.04391	1.5
89.02316	19.7
90.02651	0.3
95.01274	2.2
97.02831	2.7
99.00784	1.3
99.04389	0.5
101.02322	21.9
102.02627	0.4
103.03889	3.7
109.02821	0.4
112.01533	0.4
113.02328	11.5
115.03883	1.6
119.03387	7.6
125.02319	2.7
127.03918	0.7
131.03403	4.0
137.02374	0.3
143.03400	6.0
145.04967	1.2
161.04420	0.9
163.06036	4.7
163.07405	0.4
173.04272	0.3
179.05519	1.1
183.05946	0.3
205.07133	2.9
247.08170	1.1
255.23053	0.3
265.66934	0.3
289.09244	0.7
331.40329	0.2
555.33099	0.3
621.36731	0.5
653.16040	0.3
749.41412	0.4
767.42206	24.3
768.42603	4.3
913.47980	100.0
914.48309	21.9
914.74609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70884	44.0
71.51680	42.2
73.87864	36.5
99.75424	44.3
213.02670	43.9
255.23103	100.0
372.72363	53.0
394.93097	47.8
443.74335	51.5
514.52948	51.9
622.50372	50.2
685.43872	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	976.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30302	3.9
69.30621	40.5
71.01258	33.9
72.01558	6.3
72.99187	5.3
73.02814	13.2
75.00763	6.0
81.03291	6.2
83.01250	11.8
85.02818	24.0
87.00768	9.2
88.99890	4.1
89.02321	28.5
92.90629	4.8
93.03349	9.2
95.01248	7.0
96.95914	5.7
97.02837	10.9
98.20576	8.9
101.02322	32.6
109.02827	19.2
113.02321	13.8
115.03915	5.5
119.03375	7.4
121.02806	5.4
123.04388	16.7
125.02343	53.1
133.02802	5.3
135.04379	8.3
137.02344	36.5
143.03345	7.1
149.02356	7.0
151.03886	10.3
159.04457	7.1
161.02361	9.5
162.03114	6.8
163.00273	5.5
163.06067	4.7
164.01009	7.7
165.01820	16.1
167.03307	10.9
173.04541	5.4
177.01857	7.6
179.03397	10.3
188.04553	4.8
191.05522	6.2
203.07089	5.2
205.05025	6.8
209.11717	8.6
211.13300	12.3
213.05658	5.6
226.00339	5.0
245.08127	14.7
283.13321	10.2
289.07159	33.6
618.89990	5.2
768.41992	6.4
769.42853	13.0
770.42889	15.7
775.36176	5.2
802.38434	7.4
914.48724	5.8
915.47974	39.7
916.48877	100.0
917.49811	8.1
944.40039	12.4
945.41003	25.1
976.41675	12.5
977.44000	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	22.0
71.52086	12.1
71.52470	8.7
76.92753	8.3
86.14288	6.0
89.02315	11.6
96.86037	6.4
96.95887	13.4
101.02345	9.4
110.58904	6.8
111.08012	9.3
125.02348	7.3
129.01895	9.5
130.14394	7.0
137.02292	6.5
164.91473	7.2
177.03377	9.7
197.11771	22.3
242.81781	6.8
291.19678	100.0
300.78281	6.4
309.20691	62.4
312.02612	7.8
331.24228	7.6
397.13373	43.9
415.14444	14.0
671.32343	9.4
689.33765	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	981.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37847	1.4
71.01244	0.5
83.01279	0.3
85.02810	0.3
98.20580	0.3
107.01295	0.4
108.02074	0.6
111.87410	0.1
113.02275	0.2
124.01574	0.3
125.02332	0.3
135.00806	0.2
135.04395	0.2
137.02339	0.2
148.01625	0.5
151.00273	1.3
163.00273	0.4
164.01057	0.4
165.01773	0.2
192.00606	0.2
199.04005	0.3
209.32936	0.2
211.03835	0.2
215.03383	0.3
216.04221	0.3
226.02615	0.4
227.03448	0.9
236.05460	0.2
243.02946	4.3
244.03590	0.4
254.02158	1.4
255.02966	12.6
256.03259	0.8
271.02475	26.5
272.02957	3.0
299.01984	1.9
300.02734	86.6
301.03088	6.6
306.07599	0.3
314.04309	0.7
315.05096	100.0
316.05435	7.8
459.09406	0.6
477.10422	0.5
478.10886	0.2
519.03589	0.4
519.11426	7.3
520.11737	0.8
563.11816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.1
69.58949	2.6
71.01257	12.7
71.04889	1.1
72.99168	1.3
72.99539	0.4
73.02821	1.8
74.10057	0.4
75.00746	0.7
81.03321	1.5
83.01252	1.6
83.04896	0.8
85.02823	3.2
85.99972	0.4
87.00751	2.9
89.02319	13.3
95.01270	1.3
95.04890	1.3
96.95860	0.6
97.02802	2.5
99.00758	0.8
101.02321	9.8
106.04108	0.5
107.04916	0.6
108.43000	0.4
109.06487	7.6
111.00772	0.5
111.04415	2.8
111.08045	0.9
113.02342	6.1
114.02692	0.5
119.03396	3.0
123.08040	1.0
125.02357	3.9
127.07560	1.2
131.03404	0.5
137.02357	0.6
137.09575	0.6
141.01797	0.5
143.03384	2.3
143.10687	0.9
145.06487	1.4
149.09633	0.9
151.11212	0.4
156.87788	0.4
161.04460	3.1
161.05597	0.6
167.10719	1.2
171.10095	0.6
173.51120	0.4
177.12808	1.1
179.05518	4.6
179.10770	0.9
179.14339	0.4
185.04396	0.4
191.14339	0.6
195.13849	8.1
196.14299	0.7
199.81726	0.4
205.12270	0.6
211.13371	0.6
221.06598	1.3
223.13335	4.9
224.13730	0.4
225.14980	0.5
228.13612	0.8
235.08211	4.0
235.13322	0.6
245.19081	4.2
247.17137	0.6
251.16472	0.4
253.09267	0.7
256.13104	1.1
263.07718	0.9
263.28323	0.5
265.21771	0.5
273.14749	0.5
275.20169	4.5
277.21622	0.6
287.07874	1.1
287.16541	1.9
289.18097	81.4
290.18454	6.8
291.19641	0.5
293.21222	100.0
294.21570	8.6
297.15237	0.8
305.08728	1.1
307.19135	5.7
323.09930	1.4
331.19070	0.6
332.95914	0.4
379.12506	2.3
380.12610	0.5
397.13492	35.0
398.13745	2.4
415.14569	14.7
416.15118	1.1
654.27057	0.6
669.31012	1.3
673.34338	1.1
687.32562	3.6
688.32922	0.7
691.35724	1.6
955.35162	0.5
963.49200	0.6
981.50543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52650	0.4
71.53045	0.5
76.03591	0.4
76.38813	0.4
83.01292	0.5
85.29737	0.4
97.70717	0.4
106.06535	0.6
107.01270	1.7
108.02058	0.8
109.02843	1.3
118.37280	0.4
121.02839	1.2
125.02364	0.5
148.01591	1.0
151.00284	6.9
153.09128	0.8
155.10655	0.7
163.00301	1.5
169.01303	0.5
178.99794	3.9
179.03296	0.5
197.08121	1.1
199.09703	0.5
211.03932	1.2
226.02638	0.8
227.03476	1.9
229.04994	0.5
243.02937	6.5
244.03476	0.4
245.04440	0.5
254.02267	1.3
255.00252	0.8
255.02960	17.7
256.03381	1.5
271.02478	35.1
272.02954	2.6
273.03839	0.5
283.02573	1.0
284.03171	0.8
299.01917	2.6
300.02750	77.3
301.03445	29.2
302.03802	1.8
314.04379	0.5
315.04938	0.8
385.51581	0.4
395.74945	0.5
403.11340	0.6
433.07562	0.5
463.08893	2.5
475.12741	0.5
505.09888	100.0
506.10193	13.0
506.17642	0.8
623.16125	1.5
915.74500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.5
89.77789	0.3
90.98473	0.3
107.01254	1.6
108.02056	1.1
109.02838	1.1
119.01316	0.3
121.02837	1.3
125.02312	0.5
135.00763	0.7
137.02299	0.3
139.03928	0.3
148.01541	1.0
149.02313	0.6
151.00279	7.3
152.00832	0.3
163.00298	2.0
164.01015	0.6
165.01855	0.3
169.01335	0.6
173.04466	0.4
177.01851	0.3
178.99762	3.6
183.04358	0.3
187.03935	0.5
190.99695	0.3
192.00551	0.4
193.01355	0.3
199.03925	0.8
201.05508	0.4
202.81314	0.3
203.03384	0.5
211.03958	0.9
215.03458	0.6
226.02713	1.5
227.03452	2.3
229.04979	0.7
229.82193	0.3
242.02191	0.5
243.02951	9.9
244.03381	0.7
245.04501	0.9
254.02180	1.6
255.02965	19.5
256.03354	1.4
257.04688	0.5
257.08115	0.4
270.01743	0.6
271.02475	43.6
272.02859	3.6
273.03964	0.8
283.02463	1.0
285.03992	1.1
286.04715	0.5
299.02054	1.7
300.02734	75.5
301.03458	29.1
302.03830	1.6
306.07846	0.4
313.03870	0.3
314.04306	3.3
315.04965	0.9
463.08850	0.9
477.10452	6.0
478.10202	0.6
505.09879	100.0
506.10205	12.1
782.70081	0.3
802.10999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.449
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99712	0.9
69.03329	5.6
71.01254	66.8
71.04878	0.8
72.99183	10.7
73.02819	24.6
73.85532	0.7
75.00742	2.1
75.14803	0.7
78.95761	1.6
79.95594	1.1
81.03333	2.4
83.01250	10.5
83.04865	1.2
85.02824	42.0
85.99973	3.2
87.00755	25.2
87.04385	4.2
89.02318	46.3
89.97189	0.7
95.01265	5.4
96.95892	22.9
96.96843	1.2
97.02828	13.2
97.95750	0.8
98.95465	5.8
99.00753	5.2
99.04377	3.6
101.02325	56.9
102.02635	1.1
103.03895	16.6
109.02819	1.4
111.00763	1.5
113.02335	28.3
115.03889	3.5
116.50287	0.7
119.03394	16.8
124.01589	6.1
125.02344	40.4
126.02598	0.9
127.03891	6.4
131.03386	9.0
143.03394	15.2
145.04955	7.4
149.04518	0.9
161.04463	2.5
163.06023	31.3
178.74998	0.7
205.07098	8.2
219.08720	0.8
229.63454	0.8
233.06552	4.0
247.08104	5.1
261.47867	0.7
289.09399	0.9
385.23911	0.9
443.28174	1.5
551.30530	2.0
569.31128	1.0
587.32336	3.8
605.33466	0.9
632.35413	0.7
639.14899	0.8
647.34576	1.0
674.21533	0.9
688.51099	0.8
733.37939	12.2
734.38007	1.7
751.39178	36.5
752.39465	5.6
793.40094	27.1
794.40509	4.7
810.73608	0.8
879.43811	49.6
880.44318	10.9
897.44910	82.7
898.45251	15.1
923.42303	1.0
939.46008	100.0
940.46051	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	983.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	5.8
71.01255	63.7
71.97338	2.0
72.99178	7.7
73.02817	17.4
81.03345	3.9
83.01260	6.7
85.02831	37.1
86.65318	2.0
87.00747	21.7
87.04355	4.0
88.98674	2.4
89.02317	40.9
94.46703	2.2
95.01266	5.7
96.95898	14.6
97.02853	9.7
98.95464	3.6
99.00758	3.9
99.04382	6.0
101.02325	49.9
103.03911	11.0
106.74442	2.1
109.02836	8.1
113.02327	22.0
113.99451	2.0
115.03866	3.3
116.92729	2.0
119.03388	21.1
121.02909	2.1
124.01537	3.9
125.02330	34.5
127.03911	7.7
131.03383	6.7
137.02338	5.9
143.03409	18.2
145.05003	5.6
151.03854	1.8
161.02318	4.8
163.06010	19.4
165.01820	3.0
166.03859	2.1
176.19633	2.2
177.01961	2.6
191.05498	2.6
205.07106	8.2
211.13506	2.0
233.06587	3.9
247.08217	3.3
289.07074	3.9
341.23236	4.6
344.33316	2.2
403.45926	2.3
425.26743	2.4
478.24228	2.4
511.64249	2.3
733.38184	11.9
741.13763	2.3
751.39105	55.1
752.39752	10.3
793.40436	19.8
794.39423	2.8
879.43805	41.7
880.44006	8.3
881.45288	4.3
897.44934	100.0
898.45319	22.1
939.45953	59.2
940.46393	15.4
983.46912	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	983.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	6.0
69.71226	1.5
70.80366	3.5
70.80727	3.6
71.01256	52.0
72.99189	6.8
73.02817	19.6
83.01249	6.0
85.02821	34.6
85.99976	1.6
87.00749	18.7
87.04369	1.7
89.02323	35.5
95.01243	4.8
96.86558	1.8
96.95894	11.8
97.02847	10.6
99.00753	2.2
101.02326	45.2
103.03883	13.6
107.75533	1.5
111.00716	1.5
113.02332	17.7
115.03905	3.2
119.03412	14.1
124.01540	4.8
125.02336	29.8
127.03903	4.6
131.03380	4.9
137.02328	2.9
141.71986	1.5
143.03404	11.6
145.04955	2.7
161.04465	2.8
163.06020	18.0
205.07103	6.3
209.11737	2.6
233.06633	2.2
247.08142	4.9
652.47375	1.9
733.41840	10.3
751.42706	22.3
752.43201	3.5
793.43854	25.6
794.44757	3.4
862.39911	2.0
879.47510	46.0
880.48016	9.9
897.48584	58.0
898.48663	9.6
939.49670	100.0
940.49567	20.8
1011.14252	1.8
1011.35699	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.488
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	4.9
71.01253	73.7
71.53131	2.2
72.98825	1.7
72.99173	11.9
73.02821	23.4
75.00761	2.6
81.03384	1.8
83.01257	10.3
85.02820	46.1
87.00755	29.2
87.04375	4.7
89.02319	50.1
95.01248	6.9
96.95867	3.9
97.02840	16.9
99.00771	5.0
99.04370	2.3
101.02324	56.6
103.03897	18.0
109.02815	3.8
113.02325	26.7
115.03893	3.9
116.92655	2.2
119.03391	20.9
124.01541	4.9
125.02341	46.3
127.03893	7.5
131.03368	7.2
137.02275	2.2
143.03401	15.3
145.04932	6.2
151.03912	2.3
163.06029	26.3
177.01793	3.3
205.05313	2.2
205.07114	7.7
220.90483	1.9
233.06512	3.5
247.08121	2.2
336.63577	2.2
587.36066	2.5
733.40771	9.2
735.39563	5.4
751.42725	35.0
752.42792	3.5
777.40839	2.8
793.43732	22.9
794.44452	5.4
863.44507	7.0
879.47278	51.8
880.47754	6.0
881.44781	8.4
897.48254	74.4
898.48682	19.3
923.46625	14.1
924.46893	5.4
939.49432	100.0
940.49609	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	983.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	2.9
69.03334	3.1
71.01250	19.1
71.52159	1.9
71.52556	3.3
72.99200	2.5
73.02805	4.4
77.03875	2.2
81.03333	18.9
83.01255	22.2
85.02834	4.7
87.00732	2.9
89.02306	10.3
91.06648	2.0
93.03340	8.7
95.01276	6.0
95.04901	7.5
96.95889	9.7
97.02842	8.1
97.06481	2.5
99.04425	11.6
101.02322	12.9
107.04899	3.1
108.02055	8.7
109.02848	15.2
111.08013	2.9
113.02332	6.3
117.06963	2.2
119.03363	3.4
119.04895	4.1
121.02859	10.5
121.06568	2.9
123.04412	4.4
124.01558	7.5
125.02338	81.0
133.02908	2.9
133.06525	3.2
135.04474	2.7
137.02348	86.6
138.03085	5.1
139.03926	4.3
143.04893	3.2
145.02840	3.9
145.06537	2.5
147.04443	4.0
148.01607	3.5
149.02394	11.1
149.05960	2.5
151.03908	11.9
153.01811	3.0
158.37868	2.1
159.04416	5.7
161.02332	5.3
161.05978	5.7
163.00305	6.8
163.03896	3.1
164.01100	3.0
165.01846	33.1
166.02428	2.6
167.03416	34.6
169.06549	2.8
172.05217	4.0
173.02281	2.8
173.05984	4.4
174.03140	3.0
175.03786	2.9
177.01851	10.9
177.05513	8.6
179.03430	4.4
183.13840	14.6
185.06036	2.8
185.11765	6.9
187.03938	4.9
188.04677	4.3
189.05508	3.0
196.05157	3.1
197.11842	4.9
199.03914	2.9
200.04810	3.2
201.05528	5.9
203.07085	6.0
205.05000	25.8
209.11729	4.8
209.58113	2.1
211.03986	3.3
211.13521	10.2
212.04822	4.1
213.05530	6.2
215.03426	7.8
216.35257	2.1
224.04729	4.5
229.04997	2.3
230.05844	2.7
231.17480	3.3
233.04517	8.4
240.04305	10.3
242.05824	4.0
243.03053	3.2
253.09424	4.2
254.05493	2.3
254.44351	2.6
257.04462	5.9
258.05420	7.4
263.16611	13.9
268.03748	6.1
273.15018	6.8
275.16571	7.7
277.21704	51.0
278.22119	4.5
286.04684	3.7
289.07184	2.9
289.18234	4.8
290.18466	2.3
291.16147	6.8
291.19595	5.2
293.21338	18.3
294.21414	3.2
307.19183	6.1
309.20834	14.6
310.21048	4.0
313.17929	3.7
325.20413	2.9
329.21136	2.8
337.17990	3.6
355.19116	5.6
377.17679	3.0
379.19113	4.0
397.13483	11.6
398.14017	2.9
405.16830	6.4
407.18341	2.3
415.14792	4.4
422.70261	3.1
423.18100	13.9
433.16330	3.0
441.19437	3.5
659.26721	5.3
677.28070	5.7
725.40479	2.8
751.42755	23.2
752.43024	4.4
787.46368	26.4
788.47144	4.5
799.47253	4.6
893.50354	7.3
903.48907	7.9
909.49866	10.1
910.49768	3.1
911.51440	3.0
919.48492	37.7
920.49133	8.1
921.49146	6.3
929.46674	3.9
937.49615	100.0
938.49902	27.0
947.48157	39.7
948.48077	7.9
956.49420	2.4
965.49188	40.1
966.49548	6.1
983.49756	39.0
984.50336	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	983.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	0.9
69.03329	1.7
70.55613	0.5
70.82156	0.6
71.01256	17.1
71.07405	1.5
72.99199	2.1
73.02817	2.4
81.03327	1.0
83.01261	2.7
83.04906	0.8
83.12955	0.5
85.02827	4.8
87.00748	3.6
89.02315	12.2
93.03344	0.8
95.04896	0.8
96.95905	1.8
97.02832	3.5
99.00753	0.6
99.04390	1.3
101.02322	13.0
101.03003	0.6
102.05514	0.6
107.04887	0.8
109.02863	1.8
111.08047	8.7
113.02326	6.6
116.92765	0.7
119.03368	3.9
121.02851	1.0
123.04433	1.0
125.02335	9.7
131.03409	1.4
137.02327	5.0
143.03410	1.9
151.03928	0.7
153.09138	0.6
153.12811	0.7
161.04483	2.2
161.05896	0.5
163.00339	0.7
165.01851	2.1
167.03445	1.8
167.10645	0.8
169.12250	3.7
171.10175	0.8
177.01805	0.7
179.05515	3.9
179.14346	0.8
181.12294	1.7
183.13869	1.3
185.04480	0.6
195.13846	7.7
196.14377	0.7
197.11766	41.0
198.12091	1.8
199.13354	2.3
203.07132	0.8
205.04982	1.7
211.13341	8.4
211.65604	0.6
223.13367	6.5
225.15027	0.7
227.12920	0.7
235.08217	3.9
253.09206	1.5
263.16379	0.7
263.20139	3.3
275.20114	4.5
277.21677	5.7
287.07773	0.6
289.07169	2.2
289.18124	1.0
291.19656	15.2
292.19989	1.8
293.21228	100.0
294.21591	7.0
305.08475	1.2
307.18945	0.7
309.20709	88.2
310.21069	6.7
323.09827	1.2
379.12457	1.6
397.13504	32.2
398.13779	2.5
415.14584	21.6
416.14700	2.1
423.18210	0.9
585.41595	2.9
673.34845	0.7
689.33240	1.1
691.35510	3.2
707.35046	2.5
751.42511	1.0
787.46228	0.8
919.47888	1.2
921.51532	1.0
937.50024	5.4
938.49298	1.4
946.47089	0.8
947.47894	2.7
948.48132	1.0
965.49683	2.4
983.50171	3.0
984.50012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99670	0.2
69.03327	1.5
71.01254	15.5
71.97940	0.2
72.99178	1.2
73.02818	2.2
78.95762	0.3
81.03313	0.8
83.01252	1.6
83.04878	0.7
85.02822	3.7
87.00745	3.7
89.02322	13.1
90.77014	0.2
91.45159	0.3
95.01290	1.4
95.04878	0.5
96.95287	0.3
96.95887	4.6
96.96807	0.3
97.02270	0.3
97.02837	3.5
97.06448	0.5
98.20553	0.9
99.00743	1.4
101.02322	10.3
109.02802	0.8
109.06456	0.6
111.00740	0.5
111.04390	0.4
111.08043	5.9
113.02332	6.1
113.09597	0.2
118.68532	0.2
119.03390	3.6
121.02805	0.4
121.10108	0.4
123.04396	0.6
123.08061	0.4
124.01521	0.3
125.02344	5.1
127.03896	0.5
127.07542	0.4
129.01810	0.6
131.03348	0.5
136.52238	0.3
137.02313	0.8
137.09631	0.7
139.03830	0.6
141.01781	0.4
141.09111	0.3
143.03419	1.8
145.04926	0.4
149.04373	0.4
151.03923	0.3
151.11194	0.6
153.12691	0.6
161.04469	2.6
163.03970	0.3
163.11198	0.6
165.12758	1.1
167.03381	0.5
167.10658	0.5
169.12254	2.4
170.90916	0.3
171.10182	2.1
177.12782	0.5
179.03394	0.3
179.05525	4.0
179.10609	0.5
179.14320	1.1
181.04810	0.2
181.12280	1.2
183.13809	0.9
185.11824	0.2
191.14362	0.4
193.12212	0.6
195.13838	7.5
196.14381	0.7
197.11766	29.5
198.12117	1.2
199.13368	1.7
203.05493	0.3
205.12415	0.5
205.15906	0.5
209.11690	0.7
211.13339	4.5
217.07079	0.4
221.06593	2.2
223.13335	6.2
224.13821	0.4
225.14890	0.8
227.12857	2.0
228.13577	0.8
235.08186	3.8
239.12840	0.4
247.16928	0.3
247.20563	1.1
250.58720	0.3
253.09222	1.1
256.13120	1.2
263.07645	0.6
263.20172	1.8
265.18063	0.8
265.21805	0.5
273.18576	0.9
275.20157	5.4
276.20486	0.5
277.21768	0.7
287.07745	0.7
289.07169	1.4
291.19666	17.5
292.19894	1.3
293.21219	100.0
294.21573	6.5
305.08698	1.9
309.20703	73.8
310.21027	5.3
317.21417	0.3
321.07916	0.3
323.09793	0.9
327.21890	0.4
379.12402	2.2
397.13486	31.8
398.13831	2.1
415.14575	19.6
416.15134	1.3
486.53101	0.3
566.11829	0.3
585.41504	3.0
586.42297	0.6
595.25830	0.3
673.34338	1.0
689.33502	1.8
691.35144	2.7
692.35510	0.5
707.35028	3.9
719.07104	0.3
983.51837	1.0
984.51331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.9
70.91199	1.0
71.01253	13.0
71.04894	1.0
72.99183	1.1
73.02808	1.8
74.06191	0.5
77.64889	0.4
79.65418	0.5
80.96383	0.5
81.03333	0.9
83.01251	1.5
83.04908	0.7
85.02822	3.7
85.06482	0.5
87.00761	3.2
89.01762	0.7
89.02314	12.0
95.01264	1.1
96.95872	1.0
97.02847	4.4
97.06458	0.8
99.00742	0.9
101.01675	0.4
101.02322	10.9
105.95174	0.5
109.02852	0.5
109.06458	1.2
111.04456	0.5
111.08043	4.6
113.02332	6.1
119.03374	3.0
121.02860	0.5
123.04323	0.6
125.02343	5.3
127.07535	0.8
131.03352	0.8
137.02325	0.7
137.09616	1.0
143.03343	1.6
149.04376	0.5
161.04483	2.3
163.11191	0.5
165.01860	0.5
165.12749	1.0
167.03534	0.6
167.10663	0.9
169.12222	1.6
171.10126	1.9
177.12767	0.7
179.05542	4.1
179.10683	0.5
179.14340	1.3
181.12230	1.5
183.13857	0.9
185.11674	0.5
195.13834	10.7
196.14288	0.8
197.11758	17.0
198.12109	0.9
199.13397	0.9
205.12263	0.7
209.11748	0.5
211.13316	5.3
221.06660	1.7
221.15430	2.3
223.13397	7.0
225.69812	0.5
227.12810	1.3
228.13553	0.6
235.08174	3.8
239.12999	0.6
239.16545	0.9
247.20705	1.2
249.18275	0.5
251.16414	0.7
253.09225	1.0
256.13184	0.7
263.20175	1.3
273.18579	1.4
275.20193	4.5
277.21741	1.1
287.07645	1.2
289.06897	0.6
291.19675	21.1
292.19992	1.5
293.21231	98.2
294.21530	8.6
305.08939	0.8
309.20715	100.0
310.21030	7.4
323.09705	1.0
379.12335	1.5
397.13513	32.0
398.13809	1.7
415.09024	1.1
415.14584	22.2
416.14850	1.3
585.41565	3.9
689.33929	2.1
691.35699	2.1
707.34802	4.4
708.34766	0.7
756.23883	0.6
890.02759	0.5
951.52704	0.5
983.52954	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78848	1.7
70.07752	0.4
71.01264	0.6
73.02831	0.6
85.02818	0.5
87.04381	0.6
101.02346	0.3
107.01230	0.5
113.02325	0.7
114.98495	0.3
137.09593	3.3
151.00293	1.6
155.10687	39.3
156.11035	1.1
164.91846	0.3
166.57364	0.3
175.03951	0.4
181.08649	0.6
199.03902	1.1
199.09698	55.2
200.10118	2.3
213.11253	0.6
215.03477	0.9
219.70255	0.4
226.02702	0.4
227.03418	2.3
241.10855	1.2
243.02985	3.2
254.02191	0.5
255.02939	4.3
256.03351	0.7
270.01859	0.4
271.02487	40.0
272.02798	2.8
284.03073	0.3
285.04044	1.4
299.01971	58.3
300.02713	30.3
301.03119	3.6
314.04330	17.1
315.05072	12.3
315.07840	0.3
316.05267	0.9
357.06009	1.1
361.10767	0.6
361.15057	8.2
362.15308	0.8
463.08850	0.4
465.15936	0.3
505.09979	1.1
506.10190	1.0
507.10675	0.9
537.99585	0.4
550.63898	0.3
593.14862	0.6
623.16168	100.0
624.16522	13.8
624.25067	0.3
631.90070	0.4
644.71985	0.4
686.01654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99704	0.6
69.03330	2.9
70.86948	0.5
70.87272	0.4
71.01254	49.5
71.04867	0.4
72.01596	0.5
72.99184	6.5
73.02817	14.6
75.00732	1.8
81.03330	2.8
83.01261	5.6
83.04897	0.7
84.02041	0.4
85.02821	31.6
85.99956	1.9
86.03182	0.3
87.00749	17.4
87.04369	2.3
89.02316	32.2
90.02641	0.6
93.03312	0.4
95.01253	3.9
97.02823	5.8
99.00744	2.5
99.04397	2.0
101.02323	33.9
102.02699	0.4
103.03207	0.4
103.03893	8.6
109.02817	2.4
111.00761	1.0
111.04420	0.4
113.02332	20.5
114.02650	0.3
115.03892	3.3
119.03389	12.9
121.02835	0.4
124.01578	1.1
125.02340	10.8
127.03905	9.0
131.03398	6.8
137.02367	0.8
143.03398	12.2
145.04987	4.3
149.04391	0.3
151.03917	0.3
155.03421	0.4
159.02985	0.5
161.04457	1.6
163.06030	13.4
167.03337	0.3
176.54927	0.3
179.05556	2.3
185.04495	0.5
205.07095	5.6
229.07266	0.6
233.06538	1.4
247.08228	3.2
282.39078	0.3
289.09308	1.1
307.10385	0.3
393.14053	0.3
427.28650	0.3
541.31439	0.5
575.04773	0.3
607.35016	0.9
723.35205	0.3
735.39355	4.1
736.39667	0.9
753.40637	56.4
754.40906	10.7
795.41815	6.7
796.42175	1.3
863.44550	0.6
881.45386	25.2
882.45569	5.8
899.46442	100.0
900.46802	23.7
941.47424	29.1
942.47906	8.7
942.67023	0.4
943.48285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.4
71.01252	31.5
71.01619	1.0
72.01581	0.4
72.99179	3.8
73.02819	8.9
75.00724	0.7
81.03328	2.1
83.01257	4.6
83.04864	0.7
84.02021	0.4
85.02822	21.6
85.99922	1.3
86.03123	0.5
87.00748	12.5
87.04383	1.9
89.02316	25.0
90.02609	0.4
95.00735	0.3
95.01259	2.9
96.95883	0.6
97.02832	4.0
97.11846	0.3
99.00748	2.0
99.04399	1.5
101.02320	25.3
101.29478	0.3
103.03884	5.9
105.13946	0.2
109.02843	1.9
111.00694	0.8
113.02330	17.3
114.02650	0.4
115.03901	3.1
116.92697	0.4
119.03389	9.2
124.01521	0.4
125.02335	5.6
127.03907	6.9
131.03394	4.1
137.02271	0.6
143.03401	9.3
145.04933	2.6
149.04413	0.3
154.72523	0.3
161.04449	1.9
163.06030	9.2
179.05600	1.5
184.18472	0.3
185.04391	0.3
203.05434	0.4
205.07095	4.6
229.07083	0.3
233.06516	1.6
247.08218	2.0
289.09335	1.4
294.95831	0.3
309.11368	0.3
323.35434	0.3
343.84467	0.3
541.31403	0.4
576.11066	0.4
601.88922	0.4
735.39795	2.2
736.39636	0.6
753.40607	52.2
754.41034	9.3
778.74652	0.4
795.42017	2.3
796.41364	0.4
845.42657	0.5
863.43872	0.7
881.45447	19.5
882.45526	4.9
899.46442	100.0
900.46735	21.2
941.47504	20.7
942.47754	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	985.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.8
71.01252	28.9
71.04888	2.5
72.01576	0.5
72.99167	3.2
73.02815	9.8
75.00781	0.4
78.30919	0.3
81.03326	2.1
83.01257	4.1
83.04893	8.4
84.02024	0.4
85.02820	19.6
85.99967	0.9
87.00751	13.5
87.04383	8.7
89.02315	25.6
90.90015	0.4
92.92143	0.4
95.01263	1.9
95.04906	2.1
97.02821	3.7
98.20679	0.5
99.00748	1.5
99.04391	4.5
101.02318	25.7
101.05949	1.2
103.03893	6.2
109.02843	1.8
111.00789	0.5
113.02329	14.4
113.05937	1.1
115.03902	3.4
119.02584	0.6
119.03389	9.3
119.04243	0.6
125.02343	4.1
125.05952	0.9
127.03901	7.5
127.07541	5.9
129.09099	1.1
131.03397	5.4
131.07028	19.4
135.04434	0.5
137.02304	0.4
143.03406	10.8
144.03661	0.6
145.04967	2.5
149.04440	0.7
157.08617	8.4
161.04451	1.4
163.04694	0.5
163.06029	9.0
179.05507	1.5
196.61665	0.5
205.07092	6.6
230.32387	0.4
233.06557	1.6
247.08212	2.3
289.09277	1.3
307.10626	0.5
417.57007	0.4
453.10471	0.4
595.31183	7.8
596.31702	1.2
603.31085	0.5
607.34955	2.3
621.32904	4.6
622.33301	0.7
723.35895	4.2
724.35602	0.8
735.39594	3.5
736.40179	0.8
741.37512	2.1
749.37598	3.2
753.40637	45.9
754.40881	11.1
767.37750	0.5
795.43182	0.8
796.42322	0.6
797.42700	1.1
863.44373	1.1
881.27972	0.8
881.45288	17.1
882.46008	5.6
883.45911	1.8
899.46429	100.0
900.46771	27.0
901.45978	0.7
925.45587	0.6
941.47375	13.5
942.47510	4.5
943.47388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	3.7
69.59548	2.6
69.59961	2.6
71.01253	51.3
72.99190	5.3
73.02441	1.6
73.02817	18.7
75.00720	1.2
79.01704	0.8
81.03316	1.6
83.01247	6.1
83.78429	0.9
85.02823	31.2
85.99992	2.6
87.00752	17.9
87.04398	4.8
89.02319	36.8
95.01262	3.6
97.02827	8.5
99.00738	3.3
99.04395	1.2
101.02324	44.2
102.02692	1.1
103.03893	15.6
107.54771	1.0
109.02829	1.3
111.00744	1.0
113.01524	1.2
113.02324	21.4
115.03915	4.4
119.03395	16.9
124.01552	3.9
125.02336	29.5
126.02691	1.3
127.03893	5.0
131.03403	6.8
143.03403	14.5
145.04997	5.8
161.04509	2.0
163.06026	25.8
179.05518	2.3
205.07068	7.9
222.16605	1.0
233.06595	3.2
247.08226	4.6
289.09418	1.7
331.10107	1.4
509.28400	0.9
545.06067	0.9
553.31464	1.2
575.03809	1.0
589.33600	2.3
607.35107	1.0
735.39850	11.7
736.40399	2.0
753.40601	44.4
754.40851	8.0
762.89880	1.0
795.41724	26.0
796.42267	5.6
881.45404	55.8
882.46112	12.8
899.46460	100.0
900.46741	24.0
941.47479	98.7
942.47638	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.7
71.01254	39.1
72.01577	0.7
72.99190	5.0
73.02822	11.8
81.03336	2.9
83.01250	4.4
83.04871	0.6
85.02824	28.6
85.99982	2.4
87.00751	15.1
87.04401	2.4
89.02317	31.9
95.01269	3.1
95.41679	0.5
97.02843	4.6
99.00745	2.1
99.04381	0.9
101.02325	29.3
103.03887	7.9
109.02831	2.7
111.00808	0.9
113.02335	21.6
115.03905	3.3
119.03392	11.9
125.02348	6.1
127.03901	8.5
128.39833	0.6
131.03395	6.1
143.03410	10.8
145.04964	2.4
161.04454	2.2
163.06036	9.6
173.04515	0.6
179.05507	2.0
205.07108	4.4
214.77242	0.7
233.06485	0.8
247.08212	2.3
278.82010	0.5
289.09396	1.7
367.46326	0.6
384.38525	0.6
607.35297	0.7
735.39807	2.4
753.40631	55.2
754.40967	13.1
795.41571	1.2
863.44702	0.9
881.45526	19.4
882.45569	6.6
899.46497	100.0
900.46729	34.1
941.47589	15.8
942.47522	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	985.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	6.4
71.01254	70.9
71.30901	3.0
72.99183	8.1
73.02819	26.4
81.03336	2.0
83.01263	10.9
85.02824	48.6
85.99956	2.9
87.00753	24.4
87.04382	4.0
87.82179	1.4
89.02318	54.0
95.01260	7.1
97.02831	13.6
99.00748	4.5
99.04414	1.9
101.02326	54.7
103.03893	13.3
104.25356	1.3
107.56432	1.5
109.02840	2.4
113.02335	29.1
115.03880	6.0
117.77310	1.3
119.03387	15.2
124.01556	6.4
125.02336	36.3
127.03902	6.0
131.03419	8.9
131.04251	1.8
143.03403	15.7
145.04933	6.5
149.04625	1.4
161.04399	2.2
163.06026	20.2
201.14116	1.3
205.07123	9.6
233.06627	2.8
247.08183	3.2
256.19052	1.4
289.09229	1.7
398.51669	1.8
521.94946	1.5
589.33734	1.8
631.06592	1.6
665.00897	1.6
735.39624	8.6
746.50623	1.6
753.40588	35.1
754.40912	8.1
795.41669	21.9
796.41943	5.4
881.45337	45.9
882.45471	12.0
884.55029	1.9
899.46442	83.5
900.46912	23.0
941.47430	100.0
942.30389	2.4
942.47913	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	5.6
71.01254	54.1
71.29715	2.2
72.99187	6.7
73.02818	20.4
75.00741	1.4
81.03332	3.3
81.14240	1.0
83.01259	8.2
83.04906	1.7
85.02824	29.3
85.99976	1.9
87.00747	19.4
87.04385	2.7
89.02316	40.3
95.01263	3.7
97.02824	9.3
99.00785	3.0
99.04378	1.6
101.02330	40.6
103.03893	13.5
109.02852	1.2
113.02332	19.9
114.02663	1.4
115.03890	4.4
115.21960	1.0
119.03395	14.2
124.01555	4.6
125.01443	2.3
125.02339	35.6
126.02714	1.4
127.03897	4.3
130.31204	0.9
131.03400	5.7
143.03395	10.5
145.04977	3.4
149.04451	1.2
161.04480	1.8
163.06039	20.3
205.07069	6.2
205.26151	1.1
233.06592	2.5
247.08208	2.4
359.25803	1.5
553.30859	1.3
579.26617	1.2
589.34204	1.7
735.39600	8.7
736.39941	2.4
753.40613	23.9
754.41235	5.6
755.41003	1.9
795.41779	25.0
796.42426	5.7
797.41888	2.6
881.28070	2.0
881.45361	39.3
882.45941	10.3
883.46069	2.7
899.46484	60.6
900.46741	16.7
901.46466	2.0
941.47467	100.0
942.30493	2.2
942.47931	28.0
943.47821	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	985.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	5.2
69.20366	3.3
69.20786	8.3
71.01252	53.2
72.77813	1.2
72.99178	8.7
73.02816	20.9
75.00745	2.1
80.10232	1.1
81.03344	1.8
83.01268	7.8
83.04895	2.1
85.02818	34.9
85.99955	2.4
87.00746	21.4
87.04370	2.7
89.02315	34.0
91.85685	1.0
95.01257	5.4
95.32941	1.0
97.02827	8.9
97.68630	1.2
97.76240	1.3
98.20572	2.0
99.00745	3.3
99.04401	1.7
101.02318	43.6
103.03895	12.2
109.02866	2.5
109.89449	1.0
113.02332	19.6
115.03869	3.6
119.03381	12.5
121.02817	1.2
124.01537	4.3
125.02340	31.8
127.03905	4.0
129.89709	1.1
131.03392	7.5
135.04402	1.9
137.02269	1.6
140.30389	1.1
143.03395	10.7
145.04938	3.7
163.06049	19.0
164.00996	1.4
165.01912	1.4
173.04488	2.5
179.05573	1.4
191.05545	3.1
205.07053	6.7
225.00243	1.0
233.06516	2.3
247.08086	3.4
289.06918	1.8
411.67874	1.1
589.34326	2.4
703.61676	1.2
735.39532	9.1
736.39716	2.8
753.40466	23.2
754.41302	4.3
755.40656	1.6
795.41565	23.9
796.42316	6.3
829.42023	1.4
881.45355	39.0
882.45837	10.6
883.46729	1.7
899.46393	65.1
900.46808	16.0
908.20380	1.3
941.47467	100.0
942.47821	26.2
943.48523	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	985.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	0.4
69.03320	2.3
71.01252	38.5
71.01614	1.6
71.01801	1.1
71.04839	0.5
72.99171	4.7
73.02815	9.0
75.00724	0.8
81.03278	1.4
83.01244	4.4
83.04851	0.7
85.02824	21.6
85.03313	0.7
85.99904	1.0
86.03137	0.5
87.00745	11.6
87.04313	1.4
89.02316	25.2
90.02634	0.4
93.03252	0.4
95.01258	2.4
96.95821	0.6
97.02829	4.2
99.00752	2.4
99.04388	1.8
101.02323	24.6
101.51375	0.3
102.02625	0.6
103.03888	5.9
108.01961	0.4
109.02855	2.3
111.00716	0.7
113.02332	18.9
115.03893	2.2
119.03389	9.8
121.01522	0.4
123.26268	0.4
125.02340	5.4
127.03894	6.7
131.03392	3.9
135.04344	0.4
136.66736	0.3
137.02298	0.9
143.03395	10.0
145.04945	2.2
149.04407	0.4
151.03859	0.4
155.03394	0.5
159.04359	0.5
161.04424	1.7
163.03911	0.5
163.06032	8.5
171.38260	0.4
179.05414	1.6
185.04393	0.4
205.07114	3.3
233.06532	1.0
247.08188	1.8
289.09418	0.8
291.38321	0.3
325.11276	0.4
353.98386	0.4
525.31750	0.5
560.18109	0.4
591.35718	0.8
693.38794	0.4
719.40332	2.1
737.41119	50.3
738.41650	8.8
753.43860	0.4
779.42352	1.8
847.44965	1.0
865.45813	20.6
866.46069	4.0
883.46930	100.0
884.47253	21.7
884.64960	0.6
899.48676	1.5
925.47931	25.8
926.48029	5.2
941.49268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.9
71.01254	32.3
71.51481	0.3
72.01558	0.4
72.99178	4.4
73.02818	7.7
75.00761	0.5
81.03319	1.8
83.01253	4.8
83.04876	0.6
85.02823	20.1
85.99947	1.2
86.03160	0.3
87.00243	0.6
87.00752	10.7
87.04404	1.7
89.02316	25.7
91.57872	0.3
93.03327	0.5
95.01258	2.9
96.95906	0.4
97.02841	3.1
99.00762	1.9
99.04406	1.6
101.02324	25.3
102.02614	0.5
103.03886	5.6
109.02832	1.9
111.00742	0.4
112.01525	0.5
113.02331	17.1
115.03870	2.4
119.02593	0.5
119.03391	8.8
121.02864	0.4
123.04434	0.5
125.01483	0.3
125.02341	5.7
127.03905	5.8
131.03398	4.9
135.04352	0.5
137.02298	1.1
141.69942	0.3
143.03395	9.2
145.04967	2.6
149.04471	0.7
151.03874	0.6
155.03401	0.4
161.04453	1.6
163.06021	7.7
165.01877	0.5
167.03345	0.6
171.10071	0.4
177.01741	0.4
179.05495	1.3
205.07130	3.6
233.06624	1.4
247.08176	1.4
248.64677	0.4
271.08066	0.4
289.09409	0.7
591.35681	0.5
719.40198	1.9
737.41150	44.8
738.41595	7.5
752.40088	0.3
753.40472	0.6
753.65558	0.3
779.42212	1.4
847.45129	1.1
865.45807	20.5
866.46600	3.4
883.46948	100.0
884.47223	18.6
899.45947	1.0
903.39172	0.3
925.47974	24.0
926.48468	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	985.503
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	0.3
69.03323	2.3
71.01255	35.9
71.04891	0.5
72.01596	0.3
72.99181	4.1
73.02818	9.7
75.00749	0.7
81.03329	1.5
83.01257	4.9
83.04903	1.0
83.17397	0.2
84.02056	0.3
85.02824	23.0
85.90425	0.3
85.99960	1.3
87.00751	12.5
87.04387	2.5
89.02318	26.4
90.02663	0.3
93.03333	0.3
94.37032	0.3
95.01269	3.0
97.02827	3.9
99.00742	2.3
99.04379	1.7
101.02323	25.7
102.02655	0.3
103.03888	7.1
109.02818	2.4
109.94789	0.2
111.00768	0.8
112.01575	0.6
113.02332	18.6
113.95303	0.3
114.02635	0.4
115.03906	2.6
119.03392	10.1
125.02346	5.0
127.03906	6.8
131.03407	4.5
131.07040	0.6
137.02333	0.7
143.03412	9.9
145.04971	2.9
149.04509	0.3
151.03925	0.5
157.08670	0.3
161.04483	1.4
163.06042	8.9
163.95044	0.2
177.90384	0.3
179.05550	1.6
205.07106	4.0
224.77802	0.2
233.06671	1.2
247.08179	2.1
264.25497	0.2
289.09305	1.0
307.10550	0.3
356.59012	0.3
591.34979	0.9
719.40149	1.5
737.41150	49.2
738.41473	8.4
753.40979	1.3
754.41699	0.4
773.39203	0.4
779.42102	1.1
780.41748	0.4
829.44586	0.3
847.44446	1.0
865.45837	19.0
866.46240	3.4
881.45081	1.1
883.46960	100.0
884.47235	21.8
884.65009	0.4
899.46155	4.4
900.46240	1.3
908.85193	0.3
925.48047	21.1
926.48242	4.6
933.06848	0.3
941.47589	2.7
942.48102	0.7
943.47479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	4.7
70.22064	1.3
70.22452	1.3
71.01252	56.6
71.04877	1.8
72.01597	0.9
72.99178	8.0
73.02818	27.5
75.00732	1.8
79.93599	0.5
81.03333	2.8
83.01263	7.0
83.04887	5.6
85.02821	35.7
85.82587	0.6
85.99957	2.5
86.03107	0.8
87.00234	1.1
87.00751	20.3
87.04394	8.8
89.02316	43.5
95.01270	5.3
95.04897	1.2
97.02833	10.6
99.00757	3.7
99.04404	3.8
99.07993	0.7
101.02322	51.3
102.02659	0.6
103.03889	12.8
109.02832	1.9
111.00780	1.0
113.02330	23.0
115.03896	4.9
119.03392	15.7
124.01567	4.5
125.02336	29.5
126.02669	1.0
127.03900	4.2
127.07555	4.2
129.09116	0.9
131.03389	8.1
131.07043	13.1
143.03395	14.7
145.04967	5.3
150.53661	0.6
157.08589	5.2
159.02818	0.6
161.04466	2.4
163.04688	1.1
163.06033	19.1
166.19350	0.6
169.52177	0.6
170.17818	0.6
205.07135	9.7
233.06598	2.6
247.08168	3.0
289.09219	1.0
307.10202	0.8
371.30057	0.5
372.97470	0.7
429.65637	0.6
445.29572	0.8
491.69595	0.7
529.90015	0.6
573.34296	1.3
577.30042	1.0
595.30811	1.7
621.32727	1.1
637.32355	1.6
663.34241	0.7
719.39996	4.2
723.35553	2.2
724.35547	0.7
735.38983	3.6
737.40997	9.4
738.41400	1.8
741.37122	1.1
749.37115	1.5
753.40417	6.2
754.40527	1.8
779.42151	12.9
780.42169	1.5
783.37646	1.4
795.41815	8.1
796.41925	1.9
865.45807	29.0
866.46051	5.3
881.45453	14.3
882.45203	2.6
883.46893	34.8
884.47443	6.2
899.46411	25.1
900.46606	4.8
925.47986	100.0
926.48291	20.2
941.47424	40.1
942.47723	10.1
943.48682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.3
69.97732	0.3
70.72848	0.5
71.01257	12.0
71.04868	0.3
72.99174	1.0
73.02810	1.4
81.03343	0.7
83.01265	1.6
83.04910	0.8
85.02826	9.9
87.00756	2.5
89.02314	11.5
95.01255	1.2
95.04903	0.5
96.95898	0.4
97.02834	2.8
97.06463	2.0
99.00751	0.6
99.04397	0.3
101.02322	9.4
101.27128	0.3
104.03016	0.3
109.02806	0.6
109.81748	0.3
111.04411	0.3
113.02339	5.5
119.03387	3.2
121.02785	0.6
123.04478	0.4
125.02344	4.8
125.09615	1.0
126.02653	0.3
127.07541	0.3
127.11190	1.2
131.03355	0.5
137.02356	0.9
137.09602	2.8
139.03879	0.4
143.03427	1.7
144.93147	0.3
149.02383	0.3
149.04498	0.4
151.03969	0.3
153.09058	0.3
155.10696	0.9
155.14284	0.5
161.04463	2.4
163.11186	0.4
165.01857	0.6
165.12781	0.9
167.03394	0.6
167.10556	0.3
167.14336	0.7
171.10181	27.6
172.10541	1.2
177.12823	0.4
179.05537	4.4
183.13850	3.0
184.08865	0.3
185.11763	0.8
185.56874	0.3
188.69066	0.3
193.12315	1.0
197.11726	0.5
201.11253	1.6
209.11757	1.5
211.13347	13.8
212.13658	0.6
221.06613	2.1
221.11794	2.1
229.14415	11.3
230.14706	0.5
235.08221	3.1
239.12822	1.9
247.20618	0.8
253.09309	0.9
275.20178	0.3
277.21719	22.8
278.22141	1.6
279.22382	0.3
287.07751	1.2
291.19675	5.2
292.19946	0.3
293.21021	1.5
300.02502	0.4
305.08670	1.7
309.20728	11.8
310.21042	1.1
311.22278	0.8
323.09970	0.7
327.21771	100.0
328.22107	8.6
351.21707	0.8
379.12427	0.6
397.13504	22.7
398.13693	1.7
410.64032	0.3
415.14578	14.7
416.14862	1.1
525.19678	0.3
531.28217	0.4
545.30200	0.6
587.43140	2.3
588.43616	0.4
675.36182	1.3
707.34863	6.2
708.35223	1.1
725.35980	5.2
726.36597	0.9
751.73480	0.3
831.27350	0.4
921.47986	0.5
922.48016	0.3
939.50214	1.6
940.50098	0.3
949.49304	0.7
967.49341	0.5
985.54803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99654	0.4
69.03332	2.0
71.01254	38.5
71.04858	0.5
72.01588	0.6
72.99181	5.8
73.02818	9.3
75.00732	1.3
81.03336	2.2
83.01254	5.2
83.04893	1.0
84.02003	0.6
85.02824	27.6
85.99963	1.3
86.03131	0.5
87.00751	15.1
87.04378	2.4
88.98656	0.4
89.02316	26.5
93.03345	0.5
95.01270	3.4
97.02818	4.0
99.00763	2.7
99.04381	1.6
101.02322	28.7
102.02648	0.5
103.03880	6.6
109.02843	2.6
111.00767	0.9
113.02330	21.1
115.03912	2.5
119.03390	10.7
121.02879	0.5
125.02344	6.7
127.03902	8.6
131.03403	5.4
131.07040	0.6
135.04391	0.6
137.02345	0.7
143.03401	12.8
144.03658	0.4
145.04163	0.3
145.04996	3.3
149.04431	0.4
151.03911	0.3
155.03397	0.5
156.24242	0.4
161.04431	2.3
163.06035	12.1
164.01021	0.4
179.05504	2.2
185.04460	0.5
191.05511	0.6
205.07123	4.8
229.77167	0.4
233.06590	1.7
247.08217	3.3
284.63718	0.4
289.09317	1.5
315.23013	0.4
341.10303	0.4
452.13034	0.4
579.99390	0.4
609.36426	0.6
623.34210	1.4
641.35254	5.1
737.40894	1.5
754.41516	0.5
755.42224	53.0
756.42468	10.6
769.40985	1.5
787.41339	1.2
797.42627	1.6
798.44275	0.4
799.42303	0.5
806.83850	0.4
842.78394	0.4
847.44708	0.5
865.45734	1.0
883.46851	14.0
884.47302	3.4
901.48004	100.0
902.48297	22.8
943.49048	9.4
944.49146	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	4.4
69.25826	12.2
71.01250	7.0
81.03345	6.4
83.01262	18.0
84.49742	1.3
85.02825	2.0
87.00749	1.5
89.02321	3.9
93.03338	5.6
95.01242	2.5
95.04902	4.9
97.02833	7.2
99.04385	2.3
101.02320	1.8
107.04900	2.4
108.02066	1.7
109.02840	12.6
113.02309	1.8
119.03412	1.2
120.02016	1.4
121.02854	10.5
122.03603	4.1
123.00773	4.5
123.04399	4.3
124.01575	3.4
125.02342	84.3
126.02694	1.6
135.04405	4.8
137.02345	79.0
138.02629	2.4
139.03908	2.2
141.01645	3.1
146.03635	24.8
147.04385	3.1
149.02345	3.0
150.03040	1.4
151.03886	7.2
159.04437	10.5
160.05194	5.8
161.02354	3.8
161.05998	5.0
163.00241	2.2
163.99846	1.8
164.01080	19.3
165.01852	50.8
166.02171	2.0
167.03419	23.3
168.03725	1.4
172.05240	6.5
173.00951	1.3
173.06000	5.4
174.03151	12.1
174.06804	3.8
175.03902	5.0
176.04669	2.8
177.01877	6.2
179.03427	17.2
185.06036	2.8
186.06787	3.1
187.03966	8.2
188.04767	7.5
189.05302	2.7
191.03418	1.6
199.03896	1.8
199.07460	1.6
200.04704	5.4
200.08327	1.5
201.05470	5.6
202.06363	1.4
204.04202	7.1
208.54939	1.3
209.05975	2.5
209.11818	1.5
211.03990	2.9
211.07593	2.5
211.13365	3.6
212.04716	6.7
213.05470	2.8
214.06296	1.3
223.07574	1.5
224.04639	2.1
225.05566	5.8
226.06303	4.1
237.05511	2.0
239.07092	1.9
243.13820	1.9
244.07249	2.5
251.07104	2.1
252.07852	3.6
255.13885	2.1
268.07413	3.1
269.08163	1.5
269.11859	6.6
270.09058	4.2
270.12161	1.7
271.13394	33.7
272.13806	3.0
277.21759	10.7
278.22058	2.3
283.13345	4.4
285.14963	3.3
287.05585	2.9
287.12808	1.9
288.06491	2.4
289.14462	12.3
289.17770	2.9
293.07901	1.3
294.08997	5.2
295.13376	4.6
297.14902	5.4
299.12912	10.4
300.13712	1.4
301.14410	3.9
307.13464	1.6
307.19086	2.4
309.14917	2.6
313.14447	17.8
314.15103	1.8
315.15976	3.0
317.13852	5.3
325.14505	13.7
331.15601	3.6
335.16425	3.3
337.14478	8.7
343.15619	6.4
351.16122	2.3
353.17688	2.1
355.15469	2.4
369.17062	2.4
373.31412	1.5
377.17627	4.0
393.16736	2.5
395.18881	6.7
401.17255	2.6
411.17978	1.5
419.18542	16.8
437.19662	8.7
438.19803	1.9
463.17603	5.5
481.18890	2.1
567.24652	7.2
591.24847	2.1
673.28674	11.4
691.28870	1.7
699.26367	1.7
717.27502	7.3
797.45563	1.7
813.43640	1.9
827.45825	19.5
828.46362	5.8
839.46027	15.6
840.45972	3.4
851.46100	9.0
857.46973	11.1
858.47217	2.0
933.50195	20.1
934.50946	5.6
951.49249	6.2
959.48914	5.9
960.48016	3.3
977.49017	100.0
978.49475	29.9
995.50195	77.1
996.50439	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	995.501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	2.4
70.37565	1.0
70.37926	3.1
70.83765	0.8
71.01257	4.4
73.02812	0.8
75.00734	1.5
75.69876	0.8
77.03820	1.1
81.03342	5.8
83.01263	14.6
85.02819	1.2
89.02310	2.0
93.03333	3.9
95.01271	2.2
95.04877	2.7
97.02836	4.7
99.04377	2.6
101.02318	2.4
107.04903	2.0
108.02028	1.6
109.02842	9.1
113.02332	1.6
120.02039	0.9
121.02843	8.3
122.03603	3.6
123.00780	1.9
123.04392	3.5
124.01542	2.5
125.02339	78.6
126.02658	1.5
130.04059	0.9
131.04906	1.0
133.02853	1.7
134.57367	0.9
135.04381	3.7
137.02351	69.4
138.02684	2.2
139.03909	3.3
141.01685	0.9
145.02840	1.3
146.03638	24.0
146.04797	1.2
147.04381	3.2
149.02345	3.0
149.05888	1.0
150.03108	2.6
151.03915	5.1
158.40016	0.8
159.04440	8.5
160.05162	3.8
161.02327	2.2
161.05978	2.4
163.00255	2.4
163.03835	1.3
164.01062	17.1
165.01849	42.7
166.02263	1.4
167.03418	17.0
172.05231	5.5
173.05998	5.0
174.03120	11.2
174.06770	3.2
175.03914	3.5
176.04701	2.3
177.01839	6.8
177.05272	1.1
179.03432	13.5
183.04306	1.0
184.05148	1.0
185.05914	1.7
186.06798	3.6
187.03900	3.5
187.07596	0.9
188.04712	6.3
189.05446	1.6
191.03299	1.3
196.05180	1.3
197.05994	2.5
198.06746	1.2
199.03912	1.2
199.07594	1.7
200.04797	6.1
201.05489	5.1
202.06184	1.4
204.04221	4.6
209.06075	1.8
210.06737	2.5
211.03954	2.3
211.07533	1.0
211.13283	2.3
212.04752	5.8
213.05460	1.6
214.06329	1.0
224.04642	1.0
225.05504	5.1
226.06287	2.9
228.07680	1.0
230.05753	1.0
235.07666	1.2
237.05501	1.5
239.07083	1.8
243.06616	1.6
243.13876	1.7
244.07349	1.5
251.07039	2.0
252.07869	3.7
255.13847	3.0
259.06033	1.4
265.08795	1.2
268.07422	3.0
269.07767	1.2
269.11887	3.5
270.08997	3.1
270.12473	1.1
271.13403	31.3
272.13791	2.8
277.21722	14.7
278.22089	1.3
281.11972	1.1
283.13342	3.5
285.14984	3.6
287.05573	2.8
287.13022	2.4
288.06296	2.0
289.14401	9.8
294.09109	4.6
295.13452	2.4
297.14880	3.6
299.12988	8.2
299.16351	1.5
301.14456	3.8
309.14969	2.3
313.14481	16.8
315.15878	2.1
317.14001	4.2
320.07004	1.1
325.14447	10.8
327.15921	1.7
331.15363	3.0
335.16483	2.9
337.14447	7.0
343.15604	6.5
351.15796	2.3
353.17526	3.1
355.15472	3.5
367.19101	1.1
367.85992	1.2
377.17520	3.7
379.15891	1.8
391.18994	1.7
393.17020	1.9
395.14102	1.1
395.18665	4.9
401.17282	1.3
411.18164	1.2
413.19623	2.2
419.18661	13.6
421.16220	1.1
437.19806	7.5
438.19998	1.1
445.16638	1.5
463.17548	4.0
481.19040	1.4
525.23285	1.1
567.24609	2.9
591.24725	1.9
655.27222	1.3
673.28448	6.6
691.31860	1.3
699.26465	1.4
717.27362	5.1
785.45020	1.7
827.45947	13.9
828.45209	4.3
839.46027	12.7
840.46466	2.7
851.45966	7.8
852.46265	1.5
857.46692	7.7
893.47253	2.0
909.50262	1.1
933.50171	16.8
934.49945	4.8
951.49561	4.8
959.48572	6.6
977.49072	100.0
978.49475	23.8
995.50110	65.2
996.50305	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	995.501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	4.0
71.01273	4.3
75.00755	1.4
77.03819	1.7
77.30804	0.8
81.03341	7.3
81.64435	0.9
83.00811	1.3
83.01264	18.1
85.02797	1.2
88.98637	0.8
89.02331	2.4
93.03342	5.2
95.01258	2.3
95.04903	5.5
97.02837	6.2
99.04396	3.6
101.02316	3.4
107.04881	2.6
108.02056	1.2
109.02833	10.6
113.02327	1.8
120.02026	1.4
121.02871	7.0
122.03598	2.6
123.00755	1.4
123.04358	3.5
124.01520	2.1
125.02340	86.6
126.02672	1.7
131.04897	1.6
133.02870	1.8
135.04428	3.9
137.02347	80.8
138.02629	2.2
139.03893	3.0
145.02864	1.0
146.03642	27.9
147.04372	2.7
147.12569	0.8
149.02338	2.6
150.03073	2.5
151.03967	6.6
158.03650	2.6
159.04424	13.4
160.05180	3.9
161.02339	3.4
161.05971	2.4
162.03079	1.4
163.00258	2.1
163.03845	0.9
164.01070	19.6
165.01849	47.2
166.02187	1.3
167.03421	26.3
172.05219	9.0
173.05956	3.9
174.03136	15.0
174.06743	3.2
175.03880	3.8
176.04666	2.5
177.01863	7.2
179.03435	17.4
180.03705	0.9
181.04865	1.2
183.04384	1.4
185.05989	3.2
186.06700	2.4
187.03941	5.4
187.07495	1.1
188.04741	9.6
189.05534	1.5
191.03413	1.8
197.05975	1.1
199.07579	1.4
199.71263	0.9
200.04791	6.4
201.05441	4.9
204.04175	5.5
209.05946	1.9
210.06735	2.6
211.03963	1.7
211.07535	1.6
211.13380	1.6
212.04660	5.7
212.08208	1.2
213.05386	1.6
215.06921	1.6
224.04646	1.7
225.05490	6.2
225.12672	1.1
226.06172	2.2
227.07028	1.4
228.07797	1.0
229.81233	1.0
230.05731	1.1
237.05614	2.3
237.09073	0.9
238.06401	1.3
239.07094	2.4
241.08708	1.1
241.12271	1.2
243.13896	2.5
245.11845	1.2
251.07114	2.6
252.07892	4.2
253.08723	1.1
253.12427	2.2
255.13895	2.3
265.08640	1.7
268.07349	3.4
269.08884	1.4
269.11832	6.8
269.14914	1.2
270.08908	4.2
270.11926	1.2
271.13391	32.0
272.13919	2.2
276.07925	1.2
277.21744	20.0
278.21942	2.2
281.11670	1.0
283.13443	4.4
285.14999	5.1
287.05682	1.9
287.12872	2.1
288.06415	2.9
289.14410	8.0
292.07245	1.1
293.08325	1.7
294.05984	1.4
294.09027	5.4
295.13345	3.8
297.15009	5.5
298.15115	1.3
299.12921	10.9
299.16299	1.4
300.13583	1.4
301.14401	3.9
309.15085	1.9
313.14426	21.0
314.14792	2.4
315.16086	4.3
317.13925	4.8
318.14404	1.1
320.06818	1.7
325.14423	13.7
327.16000	1.1
331.15506	3.6
335.16528	3.9
337.14365	9.2
338.15179	1.1
343.15500	6.9
351.15881	1.6
353.17496	3.0
355.15521	3.5
359.16724	1.2
377.17780	4.9
379.15421	2.5
393.16895	2.5
395.18677	5.7
401.17657	1.6
413.19476	1.2
419.18671	15.6
420.19016	1.6
437.19781	8.6
445.16339	1.9
455.20270	1.1
463.17709	7.3
464.17868	1.2
481.18643	2.7
567.24127	5.5
579.24890	1.7
591.24738	1.9
673.28046	6.3
674.29498	1.6
691.29376	1.3
699.26495	2.7
701.21533	1.0
717.27545	3.6
771.44458	1.0
785.44690	1.9
811.46552	1.5
813.44568	1.9
814.45227	1.1
827.45886	22.1
828.45892	5.6
839.45728	13.9
840.46790	3.6
851.45544	11.4
852.46204	2.2
857.46967	14.3
858.47449	2.4
869.46729	1.5
893.47211	1.2
909.49402	1.6
933.50055	17.5
934.50275	5.2
951.49548	4.5
952.48181	1.2
953.64862	1.0
959.47638	4.7
960.48029	1.1
977.49017	100.0
978.49329	27.8
995.50146	72.7
996.50433	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	25.7
71.52498	18.0
71.94992	10.4
77.14830	10.7
80.67246	11.2
81.10971	11.1
96.95882	29.3
101.02309	21.1
109.06513	14.8
113.02339	23.6
121.02847	22.1
125.02328	40.5
137.02339	28.6
165.01790	15.8
211.13237	14.0
289.07251	20.3
289.18045	100.0
290.18472	50.1
307.19073	12.2
309.20697	14.2
397.13644	35.0
415.14334	21.3
578.87299	14.3
578.96063	15.1
942.76575	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	997.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
69.21559	2.0
69.21970	0.7
71.01252	1.1
71.72760	0.3
76.53585	0.3
80.02531	0.5
81.03330	3.6
83.01254	6.3
87.00792	0.3
89.02311	0.4
91.05401	0.3
93.03326	3.0
95.01265	1.0
95.04888	3.5
96.95899	0.6
97.02830	7.9
98.19772	0.6
99.04380	0.5
105.03352	0.5
107.04903	0.8
108.02064	1.8
109.02836	22.9
110.03167	0.5
111.04393	0.4
117.84483	0.3
119.04956	0.4
120.02103	0.4
121.02840	5.5
122.03642	1.7
123.00761	0.7
123.04406	16.2
124.01566	0.5
124.04752	0.5
125.02337	19.8
126.02662	0.8
131.04907	0.6
133.02837	0.5
135.04420	3.1
136.01595	0.3
137.02339	20.4
138.03096	0.8
139.02859	0.4
139.03908	4.5
140.04198	0.4
143.04836	0.5
145.02873	1.4
146.03641	2.8
147.04341	1.0
149.02345	6.7
149.05946	0.6
150.03096	1.0
151.03914	7.8
157.06471	0.9
158.03584	0.5
159.04420	4.5
160.05215	2.2
161.02350	2.4
161.04617	0.5
161.05984	8.7
161.09584	0.3
162.03146	3.0
163.03928	1.8
164.01054	6.0
165.01849	6.5
165.05472	0.3
166.02364	0.9
167.03424	2.7
173.05966	1.3
174.03110	1.4
175.03947	3.0
175.07529	3.3
176.04413	0.3
177.05481	1.4
179.03410	6.9
180.03819	0.6
184.05067	0.3
185.06032	1.4
186.06836	0.5
187.03935	7.5
188.04695	6.2
189.05409	0.5
190.02747	0.5
199.07520	1.4
201.05438	1.3
202.06271	3.0
203.03462	0.6
203.07074	20.4
204.04164	0.4
204.07411	0.9
205.05005	12.3
206.05360	0.5
211.13277	0.4
212.04707	1.1
217.04930	0.4
217.08575	0.6
221.08153	3.3
225.14882	0.7
226.06264	0.3
227.07083	3.2
229.05006	0.5
230.05820	1.2
231.02957	1.4
233.11784	0.6
239.07211	0.3
245.08153	23.2
246.08533	0.8
247.06093	2.1
251.07129	0.4
261.14719	0.4
271.06110	1.1
271.13419	0.6
272.13730	0.5
277.21747	3.5
278.21973	0.3
289.07169	100.0
290.07504	6.9
297.15176	0.3
313.14377	0.4
314.24951	0.3
353.17596	0.5
354.57397	0.3
371.18768	0.4
377.17722	0.5
395.18546	1.9
396.18964	0.4
413.19550	0.6
420.19211	0.4
421.19968	0.4
439.21381	0.4
483.20053	1.0
633.19116	0.3
829.46063	0.5
833.47980	0.5
841.46509	0.5
845.46881	4.5
846.47308	0.9
935.49646	0.6
953.49292	5.6
954.49756	1.1
979.49951	5.0
980.50873	0.7
997.51587	50.6
998.52008	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	997.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.2
71.01262	0.7
71.44051	0.6
78.91750	0.5
80.02560	0.3
81.03330	2.7
82.78298	0.4
83.01257	6.7
83.04890	0.4
85.02824	0.7
87.00730	0.5
89.02307	0.4
90.99640	0.3
93.03344	2.7
95.01260	1.3
95.04898	3.6
96.95875	2.4
97.02827	7.3
99.04393	0.7
101.02315	0.5
105.03323	0.3
107.04937	0.7
108.02058	2.0
109.02837	22.8
110.03179	0.6
113.02316	0.4
117.03362	0.4
121.02850	5.0
122.03588	1.3
123.00773	0.9
123.04415	16.9
124.01591	0.6
124.04714	0.4
125.02341	22.1
126.02666	1.4
133.02873	0.6
133.06487	0.5
135.04420	3.2
137.02348	19.7
138.02713	1.1
139.03893	4.8
143.04956	0.8
145.02835	1.6
145.06500	0.4
146.03670	2.9
147.04343	1.3
149.02365	6.0
150.03125	0.8
151.03918	9.0
157.06549	0.7
158.03722	0.5
159.04440	5.3
160.05171	1.7
161.02367	2.5
161.06003	9.5
162.03148	3.3
162.06334	0.8
163.03922	1.1
164.01057	5.9
165.01840	7.9
166.02374	0.8
166.74738	0.4
167.03438	3.1
173.05962	1.5
174.03120	1.6
174.06708	0.4
175.03937	3.7
175.07587	2.9
176.04688	0.4
177.01869	0.5
177.05510	1.3
179.03426	8.3
180.03885	0.4
185.05968	1.7
186.06705	0.5
187.03923	7.4
188.04724	4.7
189.05202	1.1
197.11862	0.4
199.07578	1.1
200.04712	0.5
201.05534	1.3
202.06285	2.5
203.03677	0.8
203.07079	21.4
204.07451	0.6
205.05017	13.1
206.05307	0.7
211.13376	0.6
212.04762	1.4
213.05217	0.7
217.05031	0.5
217.08621	1.1
219.71321	0.4
221.08167	3.2
225.05548	0.6
225.14824	0.5
227.07063	3.3
229.04930	0.7
230.05855	1.2
231.02928	1.1
244.07361	0.4
245.08163	23.2
246.08470	1.5
247.06100	2.4
263.16458	0.4
271.06140	1.2
271.13336	1.2
272.13757	0.7
277.21735	2.5
287.12927	0.6
289.07181	100.0
290.07526	5.1
293.21072	0.6
299.12827	0.4
300.13248	0.4
309.20566	0.4
315.16159	0.5
353.17584	0.7
377.17517	0.5
395.18503	2.2
397.13693	0.6
420.19461	0.4
460.18692	0.4
483.20557	0.5
546.97064	0.4
593.29126	0.3
693.29974	0.6
737.31262	0.5
841.46545	0.4
845.47205	4.1
846.46954	0.9
859.47363	0.6
935.50769	1.1
953.49579	4.8
954.49371	0.8
979.49933	6.1
980.49487	0.7
997.51599	54.5
998.51953	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05971	83.8
72.66054	71.1
116.82515	77.2
169.30377	75.0
183.34955	78.2
236.02599	80.4
512.71014	84.4
673.48438	88.5
867.52100	81.0
867.68506	100.0
869.91119	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32391	3.1
91.01781	0.4
93.80768	0.3
107.01260	1.2
108.02052	0.6
109.02824	1.0
118.01588	0.4
118.02696	0.4
121.02840	1.2
135.00699	0.6
148.01556	0.8
151.00275	6.2
153.01804	0.4
163.00262	1.4
165.67198	0.3
169.01253	0.6
178.99765	3.7
187.03818	0.6
199.04005	0.4
211.03931	0.8
216.04120	0.4
226.02615	1.1
227.03409	2.1
243.02959	6.8
245.04498	1.0
254.02156	1.3
255.02969	18.2
256.03326	1.5
271.02475	38.9
272.02985	2.7
273.03882	0.6
283.02216	0.7
299.01947	1.0
300.02740	69.7
301.03461	24.1
302.03839	1.1
463.08792	1.5
505.09888	100.0
506.10162	7.5
507.10144	0.5
579.33630	0.4
937.31641	0.4
1022.36743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	41.7
71.08933	1.2
72.99182	5.1
73.02821	12.5
75.00751	0.6
76.14548	0.5
77.40470	0.5
81.03325	2.3
83.01253	4.2
83.04868	0.6
83.47816	0.5
85.02823	26.5
85.99960	1.7
87.00758	14.7
87.04368	2.8
89.02317	30.3
95.01258	3.8
97.02830	5.8
99.00746	2.2
99.04404	1.7
101.02321	31.6
101.05984	0.5
102.02650	0.5
103.03889	8.2
108.75408	0.4
109.02826	2.1
111.00777	1.1
112.01534	0.5
113.02330	21.3
115.03900	4.0
119.02582	0.8
119.03388	10.9
124.01521	0.7
125.02341	7.7
127.03913	8.1
131.03392	4.5
137.02335	0.9
143.03398	12.6
145.04977	2.6
149.04451	0.5
161.04460	1.8
163.06049	11.2
175.35500	0.6
179.05511	1.4
205.07066	4.6
205.13037	0.4
233.06558	1.3
247.08235	2.8
265.31415	0.5
289.09293	1.7
621.36011	0.8
625.66943	0.5
631.09045	0.6
749.40955	3.5
750.41052	0.6
767.42212	56.3
768.42517	12.1
809.43774	3.6
810.44073	0.7
877.46027	0.9
879.44818	0.7
895.46967	21.5
896.47180	6.4
897.45807	2.2
913.47974	100.0
914.48346	26.6
939.47992	2.4
955.48950	20.4
956.30560	0.8
956.49048	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	999.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16794	2.6
71.01254	38.1
71.04863	0.8
72.99168	6.1
73.02818	15.7
75.00760	1.5
81.03310	1.2
83.01261	4.8
83.07551	0.7
85.02826	22.9
85.99974	1.9
86.03172	0.9
87.00750	14.4
87.04385	2.7
89.02324	27.4
95.01263	2.4
96.50724	0.8
97.02840	6.8
99.00760	3.2
99.04388	2.8
101.02325	31.9
103.03886	8.2
109.02847	1.6
113.02325	15.6
114.93298	4.7
115.03889	2.7
119.03390	10.5
123.04419	0.7
124.01579	3.9
125.01463	1.5
125.02345	24.5
127.03896	2.2
131.03406	5.8
135.83377	0.6
137.02333	1.7
143.03407	10.2
145.04988	3.6
161.04504	0.9
163.06036	15.8
179.05537	0.9
191.05453	0.8
203.28137	0.7
205.05321	0.9
205.07074	5.3
209.11736	1.2
233.06596	2.1
238.42891	0.9
242.01884	1.0
247.08386	1.4
251.80417	0.8
289.09680	1.0
307.10336	0.9
384.96310	0.9
443.28168	1.4
587.32294	2.2
733.38116	7.2
734.38916	1.5
751.39032	17.3
752.40833	3.6
793.40149	18.2
794.40887	4.5
879.43823	39.3
880.43903	9.0
895.46234	1.1
897.44891	46.8
898.45074	10.3
913.48486	2.1
939.46027	100.0
940.46338	28.1
955.50183	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	999.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
70.57597	1.1
71.01250	10.5
72.99171	1.0
73.02821	1.3
74.02355	1.3
74.21822	0.4
82.44578	0.5
83.01290	1.1
83.04889	0.6
85.02821	2.7
87.00757	2.6
89.02316	9.1
94.47903	0.5
95.04898	0.7
96.95888	1.2
97.02826	2.9
99.05525	1.0
100.62251	0.6
101.02318	8.0
109.02837	0.7
109.06437	0.6
111.08047	7.5
112.08369	0.5
113.02339	4.2
119.03401	3.1
125.02341	4.0
125.09609	0.7
127.07548	0.7
128.03430	3.2
138.26198	0.6
143.03369	2.0
143.04530	4.4
151.11154	0.7
153.12762	1.4
160.00575	0.9
161.04494	1.9
165.12733	1.5
169.12251	4.4
171.10187	1.4
179.05711	2.4
179.10660	0.6
181.12251	2.1
183.13809	1.2
184.63704	0.5
197.11763	41.7
198.12068	2.6
199.13333	1.5
207.36061	0.6
209.11780	0.9
210.08954	0.9
211.13333	7.7
214.16370	0.5
221.06598	1.0
223.13365	0.7
227.12857	1.7
232.61162	0.6
235.08211	2.3
247.20660	1.6
253.09505	0.7
254.07877	0.8
263.20056	1.9
265.18130	1.0
272.08875	1.7
273.18600	1.4
288.06534	1.0
291.19647	20.3
292.20050	1.1
293.21240	0.6
305.08728	0.9
305.66766	0.6
306.07654	10.5
309.20706	100.0
310.21039	8.4
323.09705	0.5
325.19867	0.9
379.12418	0.9
397.13501	21.8
398.13846	1.5
415.14542	13.5
416.14938	1.3
537.94946	0.5
601.41028	1.7
689.33887	1.8
707.34839	4.5
708.35785	0.6
770.06714	0.7
775.80792	0.6
793.35681	0.6
947.75372	0.7
999.54077	0.9
1000.50861	1.2
END